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Hopefully everyone, including their football team, enjoyed their holiday weekend as much as I did. Now that it's over, sadly enough, I think it's time to reflect on the slate of big games that took place while the Nation sat on their couch eating turkey and potato chips.
The division matchup betweeen the, now 11-1 New York Giants, and Washington Redskins was anticipated as the 'game of the week.' But the three Thanksgiving games came first.
Turkey Day Blowouts?
The 11-1 Tennessee Titans--the juggernauts of the AFC--sure did get a treat on Thursday. Every matchup possible was a clear mismatch, therefore resulting in a 47-10 blowout. Both Tennessee RB's, including rookie speedster Chris Johnson, ran for 100+ yards and two TD's. The crazy stat of the game...Tennessee's nine penalties. Kicker Rob Bironas helped the cause by going 4 for 4 from beyond 40-yards in Detroit's Ford Field. Tennessee's total domination under the time of possession category was the icing on the cake.
A quick start for Tony Romo's Cowboys is what won them their eighth game of the season. Rookie RB, Tashard Choice out of Georgia Tech, ran for a career-high 57 rushing yards. Choice's 5.2 YPC and Romo's 311 passing yards and 3 TD tosses lifted the 'Boys over the struggling Seattle Seahawks, 34-9.
The night cap was, supposedly, going to be an evenly-matched and maybe even a nail-biter. "When birds attack," as the NFL Network described the game. Arizona Cardinals at Philadelphia Eagles. This game had Cardinals written all over it, but Donovan McNabb proved (to most people, at least) that he still deserves to be under center in Philly. McNabb threw for 260 yards and 4 TD's while putting up 48 points on the scoreboard. Running back Brian Westbrook had a career day with 110 rushing yards and 4 total TD's (2 rushing, 2 receiving).
Sunday Excitement
DeAngelo Williams' four rushing TD's carries 9-3 Panthers
Denver snaps Jets' five-game win streak with 34-17 victory
Flacco, Ravens stampede weak Bengals D
Pittsburgh defense shocks Belichicks' Pats
Colts, 8-4, slip by puzzled Browns; Cleveland loses another QB to injury
Jackson returns; STL loses tenth game of season regardless
Manning, Giants keep win streak alive, now at 7
Bucs tied atop the NFC South with 23-20 victory
Rookie Matt Ryan continues to surpris; Leads Falcons to 8th win of season
Mistake-free Edwards, unable to lead Buffalo to victory
Chiefs win run-heavy game in Oakland
Minnesota, AP run all over CHI Bears
Top game recaps:
Carolina Panthers 35, Green Bay Packers 31
If anything, this game was going to be a shootout. The Pack, led by young QB Aaron Rodgers, needed a win to stay in the hunt for the NFC North title. Rodgers needed all the help he could get come kickoff, as Carolina's running game quickly set the tempo of the game.
Halfway through the first quarter RB DeAngelo Williams scored from one yard out. The TD gave Carolina the 7-0 lead and after a Mason Crosby FG, Carolina QB Jake Delhomme ran for a one yard TD to extend their lead, 14-3. Rodgers kept the Pack alive with a TD of his own (6-yard pass to WR Donald Driver), but Williams ran in for his second TD with under a minute left in the half. Carolina held a 21-10 lead at the half.
The third quarter belonged to Rodgers, who helped Green Bay outscore Carolina 10-0. The ten points tied the game up (thanks to a nifty two-point conversion), but two more TD runs for Williams in the fourth quarter allowed Carolina to tie the game up and then finally take the lead back for good. Williams ran for just 74 yards on 21 carries and all four of his TD runs were from one-yard out.
There's no way Carolina would be standing at 9-3 right now without the running game. Next week's matchup: v.s. TB @ 8:30 PM ET on Monday December 8th.
New York Giants 23, Washington Redskins 7
Eli Manning threw for 305 yards and a TD in New York's big win over their division rivals, the Washington Redskins.
Veteran WR Amani Toomer stepped in nicely for Plaxico Burress who will be charged for gun possession after accidentally shooting himself in the thigh, although he was already ruled out for the game with a hamstring injury. Toomer caught five passes for 85 yards and the only passing TD of the game, which went for 40 yards early in the opening quarter.
The Giants took the early 13-0 lead after the Toomer TD and two John Carney field goals. But, the Skins cut the lead in half after rookie WR Devin Thomas, out of Michigan State, ran for a 29-yard TD halfway through the second quarter. Brandon Jacobs lone TD run of the game, also his 11th of the season, broke the game open, 20-7, early in the third.
As they say, the rest...is history. Washington's QB Jason Campbell was sacked four times, twice by DE Justin Tuck, who has now recorded 9.5 on the season. Washington's next game is a very big, and important date with the 8-4 Baltimore Ravens, on the road.
Pittsburgh Steelers 33, New England Patriots 10
This game could have potentially been a shoot-out between BIG Ben Roethlisberger and young Matt Cassel of New England. But, Pittsburgh proved they have the number one defense by forcing five turnovers and dominating the time of possession.
Most important thing for Pittsburgh...Roethlisberger was sacked just once and he threw more TD's then INT's (2 to 1). Cassel, who is obviously not very experienced in big games like this one, threw two INT's and lost two fumbles back to back (both were forced by LB James Harrison of Pittsburgh). The only mistake for Pittsburgh came early. Starting with a 19-yard TD pass from Roethlisberger to WR Santonio Holmes, the Steelers scored 30 unanswered points to cruise to a 33-10 victory after going into the half with a tie game.
Cassel may not produce many more 400+ passing yard games this season, especially when you add in the fact that he has zero experience in the December/January games, which are always very important in the NFL. In order to make the playoffs, the Pats may have to win the rest of their four remaining games.
Season Awards (through first 13 weeks):
Kurt Warner, ARI, QB- Warner has turned this Cardinal offense into a top tier passing attack, with the help of the dynamic duo of Anquan Boldin and Larry Fitzgerald, of course!
Drew Brees, NO, QB- Brees' New Orleans Saints offense is ranked number one in the NFL right now with 411 total yards per game (319.5 PYG). He isn't first because his team is only 6-6, last in the NFC South.
Clinton Portis, WAS, RB- Portis is responsible for all the success Washington has had on offense. His 1,206 rushing yards are most in the NFL. Portis has seven rushing TD's this season, and has made an impact in the passing game as well.
Just Missed: Tony Romo
Defensive Player of the Year
Albert Haynesworth, DE, TEN- Haynesworth is having a career year (8.5 sacks, 3 FF), and is the anchor of this Titans defense, which, by the way, is third in the NFL against the run.
James Harrison, LB, PIT- Harrison has done it all this season. He has recorded 70 total tackles (47 solo, 23 assists) and 12 sacks, which is tied for the third most in the NFL. He is also tied for third in the League in forced fumbles with four.
DeMarcus Ware, LB, DAL- This big guy is one of the few bright spots in Dallas' defense this year. His 15 sacks is most in the League and he has recorded 62 total tackles (52 solo, 10 assists).
Just Missed: Joey Porter, Patrick Willis
Rookie of the Year
Matt Ryan, QB, ATL- Without a doubt in my mind, Ryan has performed the best out of any rookie so far. Ryan has turned around the sorry Falcons to an 8-4 record through 12 games this year. Ryan's 60.0 comp % and 88.3 QB rating has shocked me almost as much as his 11 TD passes (compared to six INT's) in Atlanta's run-first offense.
Matt Forte, RB, CHI- Entering Sunday night's game against Minnesota, Forte--out of Tulane--had 916 rushing yards with 6 TD's. His 916 yards was good enough for sixth in the League, and his knack for the end zone has allowed him to find a spot on many fantasy teams.
Joe Flacco, QB, BAL- Like Ryan, Flacco has certainly turned this team around--and quick, at that. Flacco's numbers may not look quite as good, but either way Flacco has gotten into a groove in Baltimore and has really looked comfortable in the pocket.
Just Missed: Chris Johnson, Steve Slaton, Jonathan Stewart
Comeback Player of the Year
Jake Delhomme, QB, CAR- Delhomme had Tommy John surgery just last season. It's unbelievable he's in there now. "Jake the Snake" as I like to call him, seems to be the only true candidate for 'comeback player of the year'...to me anyways.
Just Missed: None
Coach of the Year
Jeff Fisher, TEN- Who would've thought that Fisher's Titans would only have one loss through 13 weeks?!?!
John Fox, CAR- I'll give the credit for the Panthers 9-3 season to the head coach, even though Williams, Stewart and the O-line have done all the dirty work.
Tom Coughlin, NYG- You're obviously doing something right if you're 11-1 (like Fisher's Titans). They look to be the favorites in the NFC, at least.
Just Missed: Jon Gruden, Tony Sparano
Monday Night Preview:
It's not exactly the most eye-popping match up out there, but tonight's Jaguars/ Texans game will be a great game nonetheless.
David Garrard v.s. Sage Rosenfels (and Andre Johnson).
Yes, both teams are 4-7, but they are fighting for their season at this point. That statement alone should make this a good game. Rookie RB Steve Slaton will have a big night against this Jaguars defense, so all you fantasy owners be sure you don't leave him on the bench.
Prediction: Jaguars 14, Texans 24


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RFE: Conference Listings
This service is a joint project of RFE and EconBiz.
European Commission, Directorate General for Economic and Financial Affairs DG ECFIN
- Dates:
- December 02-02, 2015
- Description:
- Workshop "Dealing with excessive corporate indebtedness"
- Location:
- Brussels, Salle Jean Rey, Berlaymont building, 200 Rue de la Loi, Belgium
- Subject:
- The workshop will be a one-day event featuring three sessions of analytical presentations, three scene-setting interventions and a final policy-oriented panel discussion.- The first session will set the framework of corporate debt.- The second session will focus on the link between deleveraging and growth.- The third session will focus on the connections between corporate debt, the financial sector and financial crises.- The panel will aim at distilling lessons from country cases and implications for the future. The discussion will be structured in two parts: presentations and then second-round interventions. The panel would comprise participants from public institutions and international organisations and from the private sector[gem?_?? den Informationen des Anbieters - according to site editor's information]
- Notes:
- JEL Code:
- Sponsor:
- http://ec.europa.eu/economy_finance/events/2015/20151202-workshop/index_en.htm


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Guidelines for Planning Armament and Procuring in Armed Forces
- Sharyl Bradford
- 2 years ago
- Views:
1 1 Guidelines for Planning Armament and Procuring in Armed Forces Questions to measure the effectivness in procuring
2 2 1. Most important controlling instrument of planning armament are the required capabilities of Armed Forces as a whole Fundamental sequence of actions to determine the requirement to material and equipment:
3 3 Environment, especially - risks - opponents Mission, strategy, tasks, operations Alliance commitments Required Capabilities Comparison with the existing capabilities Identification and Ranking of the deficits in capabilities - Ranking of the operational risks Material and equipment deficits - List of priorities - Planning, Realization and Controlling of the procuring
4 4 What is essential in this process? - permanent process - dynamic process, in which it is most important to bring capabilities in line with permanent changes in the environment and within the Armed Forces itselves - needs to be organized Checklist/Questions: 1. How is the entire process organized (clear responsibilities etc. )? 2. Does the process include all required phases and activities? 3. What about the time the process needs and the frequency of the process? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
5 5 2. Each project of procuring has to be conceived as a whole and integrated system. The effects on other areas and branches must be taken into account For example: new weapon system --> Effects/consequences on: - personnel (size, qualification, training, etc)? - logistics? - infrastructure? - organization? Command structure? - reconnaissance and communication? - costs?! Checklist/Question: To what extent are the projects of procuring conceived integrally? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
6 6 3. Big projects of procuring must be controlled centrally by the top management, coordinated with other projects of procuring and realized decentrally. The management of each project has to follow the principle: Management out of one hand Checklist/Questions: 1. Are vital responsibilities clearly settled by the principle of Management out of one hand? 2. How is the balance between centralization and decentralization? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
7 7 4. The process of planning equipment and procuring has to follow the central idea of economic efficiency and rationalization. In the area of procurement lies the biggest potential to rationalize Armed Forces - Efficiency? Best relation between performance of the system and its costs - Rationalization? Main focus: Substitute expensive personnel by capital! Example of procuring: Hawk/Patriot; Destroyer/Frigate - Always include additionally: Special investment program to rationalize the various normal Routine-business-processes within Armed Forces. Example: Information Technology in the area of administration; simulation for training; safeguarding of the barracks etc. Often neglected!
8 8 - Precondition: enough financial funds for investment! - critical figure of success: the share of investment expenditures within the defense budget - Should be more than 30% - Good indicator: Investment per soldier Checklist/Questions: 1. Does the planning of equipment and procuring follow the central idea of efficiency? (Is the procuring of new systems at the same time a means to rationalize the Armed Forces?) 2. How is the rationalization of the Routine-business-processes organized? (Centralized at the top level? Special investment program?) 3. Is an adequate share of the budget spent for investment? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
9 9 5. To eliminate deficits in capabilities the whole spectrum of possible alternatives must be checked - dominating question: How to eliminate deficit in capabilities in the best economic way? not: Which system is good as a successor for the existing old system? Danger of thinking in inflexible patterns especially as a result of separate and specialized departments and branches within the Armed Forces Each equipment planning has to be not only analytic but at the same time innovative and creative!
10 10 Always check these alternatives with regard to a new project of procuring: Are there complete other means to eliminate the deficit in capabilities? (Example: Drones instead of aircraft) Further use of existing equipment by measures to maintain or increase combat value? Mix of old and new? Make or buy? Are customary or modified customary products possible? Cooperation in functional areas as for instance in logistics and training? Creating a pool in the Alliance (e.g. AWACS)? Work-Sharing in the Alliance (e. g. reconnaissance)? Outsourcing? Leasing?
11 11 Checklist/Questions: 1. Do the processes of procuring take into account all possible alternatives to eliminate deficits in capabilities creatively and analytically to achieve best cost-benefit-relations? (How is the management of creativity?) 2. How are information exchange and cooperation with allies organized? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
12 12 6. Planning of equipment and procuring needs professional knowledge, methods and tools Important methods and tools: - Cost-benefit-analysis; cost-effectiveness-analysis - Investment-Calculation - Life-Cycle-Cost Calculation - Computer Simulation - Professional project management - Financial planning, Budgeting, Cost Accounting - Controlling Checklist/Questions: How are knowledge and application of professional methods and tools used in the process of procuring? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
13 13 7. Essential criterions of procuring management are adaptability and the speed of adaptation Adaptability: Problem very often: on the one hand very long lifetime of the system - on the other hand changing requirements to be met by the system during lifetime necessary: Provide a built-in-potential to meet new requirements ( Growth potential ) from the beginning! Example: Provision for new components; concept of exchangeable modules; built-in-potential for a multi-role-capability. To divide the procuring of a system in different periods of time.
14 14 Speed of adaptation: - best adaptation/new system is worthless, if it comes too late! - necessary: each process of procuring needs a structure determined by the time you need the project of procuring in your Armed Forces --> Structure each process of procuring as a time-working-financial-plan with milestones Checklist/Questions: 1. Do the systems your are planning have enough growth potential? 2. Are the processes of procuring orientated at the time you need the system? 3. How long are the processes of procuring? 4. How do you see the structure of your processes of procuring from the point of efficiency? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
15 15 8. Promotion and use of competition in the market belong to every procuring policy. But also you have to insure a sufficient base of national armament industry - Competition? Primarily by the means of announcement and invitation to make offers. Special strategy: market-testing -> own facilities have to take part in the competition -> companies will make offers - Sufficient base of national armament industry? - often contrary to the principle of competition (EU-market, other markets) - Possible solution: Decide and make a list of priorities of those armament industries, in which a major national competence from a military or economic-political point of view should be preserved.
16 16 Checklist/Questions: 1. Does procuring policy promote and make full use of competition? 2. What is the share of orders given on the basis of a competition? 3. Does the base of national armament industry, which should be preserved, correspond to military and economic-political needs? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
17 17 9. Successful procuring management needs permanent and organized cooperation with industry Main emphasis: a. Information exchange: - deficits in capabilities? foreseeable equipment needs? - technological trends? - development in the markets? b. Know-how transfer: - methods and tools of modern management c. Identification of foreseeable problems and perspectives for cooperative solutions d. Cooperation in development, testing and procuring e. Cooperation in logistics and training f. Principle of partnership
18 18 Typical forms of cooperation: - Mixed common working groups, assigned to specific branches (permanent or temporary) - Common seminars - Organized flow and exchange of information - Specific and relatively independent organization of the Armed Forces to realize strategic partnership (e. g. Joint ventures) - Specific departments within the association of armament industry, assignment to functional areas of the Armed Forces - contracts
19 19 Checklist/Questions: 1. How intensive is the permanent cooperation with the industry? Short ways? 2. Do the Armed Forces have knowledge of current technological trends in the market? 3. Does the industry have knowledge of deficits in capabilities and equipment? Foreseeable procuring needs well known? 4. How is this cooperation within and outside the contract organized? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
20 Procuring management needs close information relationships to opinion-building groups, medias and especially to parliament - Why? - All big projects of procuring are subject of public discussion, mostly controversially - Crucial: opinion-building groups within the society - Parliament does have the last decision about giving financial support necessary: Each big project of procuring must be connected with an information strategy from the beginning
21 21 Checklist/Question: 1. Are the big project of procuring connected with an information strategy from the beginning? 2. How good are these strategies? 3. How is the flow of information between the Armed Forces and the government/parliament organized? Answer by giving scores for instance from 1 (very poor) to 10 (excellent)!
22 22 Now: If you want - identify your strength and weakness! How? - bring together the scores you have got by the answers of experts to the individual questions - Form a profile for instance like this: Guideline Questions Scores Nr. Nr. Average Range, Mean variation
23 23 - Give the result to the experts - Iterations and discussions -> find out the strength and weakness on a common basis -> start and carry out the improvement process!
Andrea Gilli, PhD Post-doctoral Fellow - Center for Security Studies Metropolitan University Prague
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text:
Melanie wrote to me and asked me to have a look at her web site, L'Affiche Moderne. They sell limited edition prints from illustrators and photographers and they ship internationally. I was immediately struck by the beauty of this photograph by Cyril Auvity - really gorgeous. There are many wonderful prints in their online catalogue. Thanks Melanie!
Wednesday, September 3, 2008
Art | L'Affiche Moderne
Creatively compiled by Fiona Cartolina at 12:02 AM
Labels: artists, illustration, stores
1 comment:
What a beautiful photograph. A snapsot in time. Love the pink and blue building, I wonder where this is.
- September 3, 2008 at 7:11 AM
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text:
Marlins use long ball to outlast NationalsMay 28, 2012 - 10:35 PM Miami, FL (Sports Network) - Giancarlo Stanton hit a two-run homer and Logan Morrison added a solo shot to lead the Miami Marlins past the Washington Nationals, 5-3, in the first of a three-game set.
Hanley Ramirez and Chris Coghlan each drove in a run for the Marlins, who have won three of their last four.
Carlos Zambrano (3-3) allowed three runs on seven hits and fanned five over six-plus innings.
Ryan Zimmerman drove in a pair of runs and Jordan Zimmermann helped his own cause with a solo home run for the Nationals, who had a three-game winning streak halted.
Zimmermann (3-5) took the loss after giving up four runs on eight hits over six frames.
Washington went ahead 1-0 in the third on Zimmermann's first career home run.
Morrison tied it in the home fourth when he crushed a 2-2 fastball into the right-field stands.
A two-RBI double from Zimmerman in the fifth gave Washington a 3-1 edge.
Miami scored three in the sixth to go ahead 4-3. Ramirez singled before Stanton hammered his 12th homer of the season. Morrison followed with a double, moved to third when Bryan Petersen singled and scored on Coghlan's sacrifice fly.
"Two pitches is what it comes down to for me," said Zimmermann. "The one to Morrison early, the solo home run, I wasn't too worried about that, it was a pretty decent pitch. He was trying to ambush me and then got the barrel out there. But the one to Stanton and then the one Hanley (Ramirez) kind of, you know, two bad pitches and it cost me the game."
Washington put two on in the seventh with no outs, but Coghlan made a spectacular sliding catch and Edward Mujica induced an inning-ending 6-4-3 double play to help the Marlins escape the threat.
"The home run by Stanton lifted the team's spirits up, and I think after that things changed a little bit in the game," said Miami manager Ozzie Guillen. "I think the play in left by Coghlan was huge, it was huge. If that ball lands that changes the game completely."
Miami added an insurance run in the seventh courtesy of three hustle plays from Jose Reyes. Reyes dropped a single in front of Ankiel but the center fielder hesitated just long enough to allow the fleet-footed shortstop to turn it into a double. On the next play, Omar Infante grounded out, but as soon as Reyes saw Zimmerman fire to first he took off and slid safely into third. Ramirez followed with a sac fly to score Reyes.
Heath bell tossed a perfect ninth to secure his eighth save.
"I thought we battled, we played a great game," said Nationals' outfielder Steve Lombardozzi. "It's tough to come back, getting in so late last night, but I thought we battled and we played real well."
Game Notes
Reyes extended his hitting streak to nine games...Petersen has hit safely in six straight...Stanton has 11 home runs in May. He is one short of tying Dan Uggla for the most in one month in Marlins history...Washington's Chad Tracy was placed on the 15-day disabled list prior to the game. Corey Brown was called up from Triple-A Syracuse. Jayson Werth was moved to the 60-day disabled list.
May 28 4:00 PM
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Nationals 3, Marlins 5 Top 8, 1 OutMay 28 3:40 PM
- Hanley Ramirez sacrifice fly to center scored Jose Reyes. None on with two outs and Giancarlo Stanton due up.
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- Chris Coghlan sacrifice fly to left scored Logan Morrison. Runner on first with two outs and Carlos Zambrano due up.
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Nationals 3, Marlins 3 Bot 6, 0 OutsMay 28 2:53 PM
- Giancarlo Stanton none-out, two-run Home Run (12) to left scored Hanley Ramirez. Logan Morrison is due up.
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Nationals 3, Marlins 1 Mid 5May 28 2:35 PM
- Ryan Zimmerman doubled to left-center scoring Steve Lombardozzi and Bryce Harper. Runner on second with one out and Adam LaRoche due up.
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Nationals 1, Marlins 1 End 4May 28 2:20 PM
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Nationals vs. MarlinsDec 20 6:03 AM
Related News
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- Mets-Nationals Preview May 23
- LEADING OFF: Kershaw tests streak vs Reds, Colon faces Nats May 23
- Baseball Capsules May 22
- Archer hit hard as Rays fall 9-4 to Tigers May 22
- Signs of progress for Stanton in Marlins' 8-2 loss to Nats May 22
- Scherzer pitches 8 innings to help Nats beat Marlins 8-2 May 22
- Nationals-Marlins Preview May 22
- Nats' 9th-inning rally comes up short in 3-2 loss at Miami May 21
- Jose Fernandez pitches Marlins past Nationals 3-2 May 21
- Marlins' Yelich scratched from lineup because of back spasms May 21
- Auction site says it's selling Bryce Harper fight jersey May 21


text:
Identification and analysis of conserved pockets on protein surfaces
Italian Society of Bioinformatics (BITS): Annual Meeting 2012
Ninth Annual Meeting of the Italian Society of Bioinformatics (BITS)
The interaction between proteins and ligands occurs at pockets that are often lined by conserved amino acids. These pockets can represent the targets for low molecular weight drugs. In order to make the research for new medicines as productive as possible, it is necessary to exploit "in silico" techniques, high throughput and fragment-based screenings that require the identification of druggable pockets on the surface of proteins, which may or may not correspond to active sites.
We developed a tool to evaluate the conservation of each pocket detected on the protein surface by CastP. This tool was named DrosteP because it recursively searches for optimal input sequences to be used to calculate conservation. DrosteP uses a descriptor of statistical significance, Poisson p-value, as a target to optimize the choice of input sequences. To benchmark DrosteP we used monomeric or homodimer human proteins with known 3D-structure whose active site had been annotated in UniProt. DrosteP is able to detect the active site with high accuracy because in 81% of the cases it coincides with the most conserved pocket. Comparing DrosteP with analogous programs is difficult because the outputs are different. Nonetheless we could assess the efficacy of the recursive algorithm in the identification of active site pockets by calculating conservation with the same input sequences used by other programs.
We analyzed the amino-acid composition of conserved pockets identified by DrosteP and we found that it differs significantly from the amino-acid composition of non conserved pockets.
Several methods for predicting ligand binding sites on protein surfaces, that combine 3D-structure and evolutionary sequence conservation, have been proposed. Any method relying on conservation mainly depends on the choice of the input sequences. DrosteP chooses how deeply distant homologs must be collected to evaluate conservation and thus optimizes the identification of active site pockets. Moreover it recognizes conserved pockets other than those coinciding with the sites annotated in UniProt that might represent useful druggable sites. The distinctive amino-acid composition of conserved pockets provides useful hints on the fundamental principles underlying protein-ligand interaction.
Proteins are large molecules characterized by complex structures whose main function is to keep relatively small active sites in good shape. Indeed a precise 3-D architecture is necessary to grip ligands efficiently. A protein surface represents an irregular landscape, rich in pockets and clefts. There can be various binding sites in a single protein and ligands can be as small as ions or large polymers and can function as substrates, inhibitors or allosteric modulators.
Several methods predict ligand binding sites or functional important residues on protein surfaces. Some, such as CastP
To explore the pockets on protein surfaces we developed DrosteP, a program which assesses the conservation of the residues lining the pockets on a protein surface. DrosteP requires that the pockets on the surface of a protein with known 3D-structure are identified with the program CastP
Any method relying on conservation mainly depends on the choice of the input sequences and the originality of our approach derives from the fact that we specifically address this point. DrosteP uses a descriptor of statistical significance, Poisson p-value, as a target to optimize the choice of input sequences. We demonstrated that deciding how far one should go to collect homologs to calculate residue conservation influences the precision of active site pocket identification.
Given a protein structure, the output of CastP analysis and a set of homolgous sequences, DrosteP supplies the most conserved pocket as well as with the identity of the other conserved pockets. For each pocket the amino acid composition is provided in order to facilitate the identification of the active site and of other druggable pockets
DrosteP algorithm
Given the sequence of a protein with known 3D-structure, we gather N homologous sequences and we put them in order by increasing e-value. We build different alignments in FASTA format including sequences with higher e-value recursively. For each alignment j (1 < j < N-1) we identify conserved amino acids and we calculate the total number of atoms belonging to conserved amino acids, TCAj. Under standard conditions the program uses 50 sequences form Uniprot/Swiss-Prot, but any alignment in FASTA format of length N can be chosen. In order to avoid any arbitrary choice of a scoring system, DrosteP identifies amino acids that are 100% identical, but the percentage is lowered if no amino acid completely conserved are found in the multiple alignment. We ran CastP
We calculate the observed pocket conservation OPCij i.e. the observed number of atoms lining the pocket i and belonging to amino acids conserved in alignment j. We estimate the expected pocket conservation EPCij i.e. total number of atoms belonging to conserved amino acids in the alignment j (TCAj) multiplied by the number of atoms lining pocket i (PAi) divided by the total number of atoms of the protein(TA) (EPCij = TCAj × PAi/TA).
We choose the alignment j which provides the OPCij with the lowest p-value (Poisson probability p = e-EPCij EPCijOPCij/OPCij !).
Once the best alignment is chosen, we identify the pockets enriched in conserved amino acids (OPCij/EPCij > 1) at a level of statistical significance, Poisson p-value, lower than 0.05. From now on these will be defined as conserved pockets. The pocket enriched in conserved amino acids and associated with lowest p-value is predicted to be the active site pocket.
To validate the method for identification of active sites based on pocket conservation, we used two groups of proteins with known 3D-structure whose active site had been annotated in Uniprot/Swiss-Prot.
A first set comprises human monomeric proteins. A second set comprises human homodimers, but we restricted the analysis to cases where two chains are found in the crystallographic asymmetric unit. Using these criteria we collected 460 monomers and 165 homodimers.
We downloaded all the unique sequences associated to each PDB structure from Consurf-DB
To test the effect of redundancy, we run skipredundant
Analysis of pockets
Pocket size was measured running CastP. To calculate amino acid composition, we summed all the atoms of a given amino acid lining the pockets and divided the result by the total number of the atoms in the pockets. This calculation was carried out considering all pockets or considering separately conserved (OPCij/EPCij > 1 and p < 0.05) or non conserved pockets (OPCij/EPCij < 1 or p > 0.05).
Prosite patterns were downloaded from
Statistical analysis
One-Way Analysis of Variance for Independent Samples was performed to evaluate statistical significance of differences observed when comparing DrosteP and Consurf and when analyzing amino acid or atom type abundance in conserved pockets.
Identification of conserved pockets and active sites
Most programs identify functionally important residues in protein structures. We addressed a slightly different problem, that is, we tried to identify the active site pocket in a protein.
It can be expected that active site pockets contain some functionally active residues, but they also contain residues that are not directly involved in ligand binding. For some studies it is preferable to identify active site pockets. For instance it was demonstrated that mutations occurring in the active site pocket, but not affecting residues directly binding the ligand (as seen in the x-ray structure of protein-ligand complex) can be pathological and prevent the use active site directed drugs
Our method, DrosteP, complements a program which finds pockets on protein surfaces. For the preliminary task of pocket identification we chose CastP
The number of conserved residues depends on the depth reached in gathering homologs. For this reason DrosteP starts with the first two sequences of the alignment and recursively adds aligned sequences.
For each number j of homologous sequences included in the alignment, DrosteP calculates observed (OPCij) and expected (EPCij) conservation for each pocket i detected by CastP and chooses the alignment j which provides the lowest Poisson p-value. Once chosen the optimal alignment, DrosteP allows to distinguish between non conserved and conserved pockets and to select the most conserved pocket in the latter group, which is predicted to be the active site pocket.
DrosteP precision was calculated counting the numbers of the most conserved pockets that include (TP) or do not include (FP) the active site residues annotated in Uniprot/Swiss-Prot. The tests were carried out running CastP on monomeric or homodimeric human proteins and aligning the sequence of each one to homologous proteins from other species.
The precision of our method (blue bars in Figure
Figure 1
Prediction of active sites
Prediction of active sites. Panel A: The percentage of correctly predicted active sites in human monomeric and homodimeric proteins: blue bars refer to predictions relying on the identification of the most conserved pocket (DrosteP protocol), red bars refer to predictions relying on the identification of the largest pocket, green bars refer to predictions relying on the identification of the largest among the conserved pockets, violet bars refer to predictions relying on the identification of the most conserved pocket without DrosteP optimization, orange bars refer to predictions based on Jensen Shannon Divergence score. Panel B: Solvent accessible volume in protein pockets: total, conserved or non conserved ones.
We obtained higher precision on homodimers with the method based on sequence conservation (78% versus 67%) and comparable precisions on monomers (84% versus 80%). The size of conserved pockets is variable but, in general they are larger than the non conserved pockets (Figure
Recent methods that predict active site pockets or functional residues exploiting evolutionary conservation, ConSurf
The novelty of our method consists in the optimization of the list of homologous sequences to be used to calculate conservation. To test this point specifically, we detected the most conserved pocket either considering the complete list of homologous sequences stored in Consurf-DB (violet bars in Figure
To test the effect of redundant sequences in the alignment, we created for each protein a set from Consurf-DB where no pair of homologous sequences had more than 70% identical residues. The overall precision of DrosteP with and without redundant sequences was 81% and 76% respectively.
Notwithstanding the differences of the outputs, we compared the accuracy of DrosteP to that of another program based on sequence conservation, ConSurf
Table 1
Comparison between DrosteP and Consurf predictions
96.07 ± 0,47
79.31 ± 0.40
< 0.0001
6.21 ± 1,99
1.95 ± 0.60
< 0.0001
54.15 ± 11,17
90.85 ± 5.06
< 0.0001
True negative rate
96.28 ± 0.59
79.26 ± 0.41
< 0.0001
Negative predictive value
99.77 ± 0.13
99.94 ± 0.05
Extended active sites
Generally speaking, direct identification of active sites and functional residues relies on experiments of mutagenesis or chemical modification and provides only a limited number of the residues involved in substrate binding. In some fortunate cases a more detailed view of the active site is possible because the protein structure has been solved in the presence of a substrate analogue. But even in these cases the view can be incomplete. In fact natural substrates are often molecules larger than those co-crystallized with the enzymes. The knowledge of the wide-ranging active site, that is the surface which is in touch with the natural substrate or ligand, is useful in many cases. For instance it is needed to evaluate the effect of protein modifications in human diseases because mutations occurring in the active site pocket, even if not directly involved in catalysis, are almost inevitably harmful and unsuitable for therapy with chaperones
DrosteP is very useful to extend the active site and cover all the surface which is in contact with the natural substrate or ligand. We propose to start from the most conserved pocket and enlarge it by addition of the contiguous conserved pockets. At the present this procedure is manual but, in principle, it could be made automatic.
As an example we will describe the case of arylsulfatase B (Uniprot:ARSB_HUMAN), an enzyme which catalyzes the hydrolysis of the 4-sulfate groups of the N-acetyl-D-galactosamine 4-sulfate units of chondroitin sulfate and dermatan sulfate
Figure 2
The composite active site of arylsulfatase B
The composite active site of arylsulfatase B. The structure of arylsulfatase B is shown as a ribbon. Panel A the active site residue K145 is shown in yellow, the atoms lining the most conserved pockets are shown as brown spheres. Adjoining pockets are added in order of decreasing conservation starting from panel B where the atoms are shown as green spheres, to Panel C, where the atoms are shown as orange spheres and to Panel D, where the atoms are shown as pink spheres.
Properties of conserved pockets
CastP produces a list of the amino acids in a pocket with a detailed description of all the atoms exposed to solvent. This allows us to calculate the amino acid composition. Although the composition of individual pockets is variable, the abundance of some amino acids differs between conserved and non conserved pockets significantly as shown in Figure
Figure 3
Amino acid abundance in pockets and in Prosite patterns
Amino acid abundance in pockets and in Prosite patterns. Panel A: Blue bars refer to relative abundance of amino acids in pockets, red bars refer to relative abundance in conserved pockets, green bars refer to relative abundance in non conserved pockets. An asterisk marks those cases where the difference between conserved and non conserved sites is statistically significant (p < 0.05). Panel B: Amino acid relative abundance in Prosite Patterns.
In order to discuss this effect we added in Figure
Gly is a small amino acid whose abundance in proteins from vertebrates is similar to that of Ala and Ser. Nonetheless it is overrepresented with respect to Ala and Ser among the amino acids conserved in Prosite patterns. This finding suggests that peculiarities other than the small size bestow a special role to Gly. Limiting the analysis to the protein surface, we observe that Gly is more abundant in conserved than in non conserved pockets. The absence of a side chain, the possibility to adopt different dihedral angles as well as its requirement in beta turns, might be the cause of its overrepresentation in conserved pockets.
Charged amino acids are relatively abundant among residues conserved in Prosite patterns. It is common knowledge that His plays a pivotal role in many active sites and it is not surprising that it is preferentially seen in conserved pockets. Less expected is the finding that the only other charged amino acid preferentially found in conserved pockets at a statistically significant level is Asp.
Leu, Phe, Tyr and Trp (Figure
Figure 4
Atom type abundance in pockets
Atom type abundance in pockets. Panel A: Blue bars refer to relative abundance of atom types in pockets, red bars refer to relative abundance in conserved pocket, green bars refer to relative abundance in non conserved pockets. An asterisk marks those cases where the difference between conserved and non conserved sites is statistically significant (p < 0.05).
Main chain amide nitrogen is by far the atom type with the highest preference for conserved pockets. Generally speaking we observed that hydrogen bond donors are more abundant in conserved pockets than hydrogen bond acceptors. The relative abundance of NE1 from Trp and OH from Tyr which can contribute with hydrogen bonding, suggests that aromatic interaction provides selectivity as well as stability to protein ligand interactions.
Our results rely on inference from
Koide and Sidhu summarized their findings with a brilliant title "The Importance of Being Tyrosine: Lessons in Molecular Recognition from Minimalist Synthetic Binding Proteins"
Vajda and coworkers
A good example of the special role played by Tyr and in general by aromatic residues in binding pockets is offered by Phenylethanolamine N-methyltransferase (PNMT), an enzyme implicated in the biosynthesis of adrenaline. The structure of PNMT has been solved in the presence of one its substrates, S-adenosyl-L-homocysteine (AdoHcy) and of a potent inhibitor, 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide by Grunewald and coworkers
Figure 5
The active site of Phenylethanolamine N-methyltransferase
The active site of Phenylethanolamine N-methyltransferase. The stucture of a monomer of Phenylethanolamine N-methyltransferase is shown as a ribbon. Panel A: S-adenosyl-L-homocysteine is shown with red sticks in its pocket whose surface is in pale red. 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is shown in blue in its pocket whose surface is in pale blue. Panel B: The pocket for S-adenosyl-L-homocysteine with Y35, Y40, Y85, Y27 and D101 shown with sticks coloured by atom types. Panel C: The pocket for 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide with F182 and Y222 shown with sticks coloured by atom types.
Fused ring systems are frequently encountered in molecules in use as approved or experimental pharmaceutical drugs. The layout which requires a face to face interaction with an aromatic amino acid and face to edge p-X interaction, where X is an heteroatom, might provide a preferential drug binding mode.
Each protein in a cell is committed in multiple interactions and its surface is richly carved to fulfill this requirement. In this contest it is reductive to refer to one specific pocket as the active site. The active site can be a hive shaped concave opening. The primary site harboring catalytic residues can be surrounded by other pockets forming a composite surface which accommodates the substrate. Separate pockets can be exploited to bind allosteric ligands. Active sites and allosteric sites are meant to bind natural ligands. In addition to these, other druggable pockets could exist which are not occupied under physiological conditions and could be exploited to bind drugs. In order to find hints on the fundamental principles underlying protein-ligand interaction we need to analyze large number of cases and derive statistically significant conclusions. Identification of active sites is difficult and requires the intervention of an expert human eye. On the other hand it is feasible to define conserved pockets precisely and, utilizing such a definition, it is possible to search a database of proteins with known 3D-structure and gather data.
We studied 3,635 non conserved and 460 conserved pockets and a total of 57,815 atoms. Since most conserved pockets are exploited to bind natural ligands, the residues or the atom types preferentially exposed in conserved pockets should be the most suitable for molecular recognition. Three amino acids Tyr, Trp and Gly as well as the main chain amide nitrogen are particularly abundant in conserved sites. This finding is useful when looking for druggable sites on a protein and when scoring poses obtained with in silico ligand docking.
Competing interests
The authors declare that they have no competing interests.
The publication costs for this article were funded by Telethon - Italy (Grant no. GGP12108) to MVC and GA
The financial support of Telethon - Italy (Grant no. GGP12108) and of MIUR (PRIN 2009 2009MBHZPR_002) is gratefully acknowledged". We thank G. Riccio for proofreading the manuscript
This work is dedicated to our friend and colleague Dr Maria Malanga
This article has been published as part of
CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues
Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design
SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactions
Identification of binding pockets in protein structures using a knowledge-based potential derived from local structural similarities
ConSurf 2010: calculating evolutionary conservation in sequence and structure of proteins and nucleic acids
Predicting protein ligand binding sites by combining evolutionary sequence conservation and 3D structure
LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation
Distinguishing structural and functional restraints in evolution in order to identify interaction sites
The ConSurf-DB: pre-calculated evolutionary conservation profiles of protein structures
EMBOSS: the European Molecular Biology Open Software Suite
Therapy of Fabry disease with pharmacological chaperones: from in silico predictions to in vitro tests
Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
Protein clefts in molecular recognition and function
Predicting functionally important residues from sequence conservation
ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures
A counterintuitive approach to treat enzyme deficiencies: use of enzyme inhibitors for restoring mutant enzyme activity
Mucopolysaccharidosis type VI (Maroteaux-Lamy syndrome): a Y210C mutation causes either altered protein handling or altered protein function of N-acetylgalactosamine 4-sulfatase at multiple points in the vacuolar network
Mucopolysaccharidosis type VI: Structural and clinical implications of mutations in N-acetylgalactosamine-4-sulfatase
PROSITE, a protein domain database for functional characterization and annotation
Environment specific substitution tables for thermophilic proteins
Aromatic interactions in model systems
The importance of being tyrosine: lessons in molecular recognition from minimalist synthetic binding proteins
The functional capacity of the natural amino acids for molecular recognition
Identification of hot spots within druggable binding regions by computational solvent mapping of proteins
Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT
Secondary structure assignment that accurately reflects physical and evolutionary characteristics


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- eaten
- eaten eaten adj. ingested through the mouth. Contrasted with {uneaten}. [Narrower terms: {consumed}; {devoured, eaten up(predicate)}] [WordNet 1.5 +PJC]
The Collaborative International Dictionary of English. 2000.
The Collaborative International Dictionary of English. 2000.
eaten — eaten; un·eaten; … English syllables
eaten — O.E. eten, pp. of EAT (Cf. eat) … Etymology dictionary
Eaten — Eat Eat ([=e]t), v. t. [imp. {Ate} ([=a]t; 277), Obsolescent & Colloq. {Eat} ([e^]t); p. p. {Eaten} ([=e]t n), Obs. or Colloq. {Eat} ([e^]t); p. pr. & vb. n. {Eating}.] [OE. eten, AS. etan; akin to OS. etan, OFries. eta, D. eten, OHG. ezzan, G.… … The Collaborative International Dictionary of English
eaten — Ai ia, aina. Fig. expressions for one who has eaten much: kāhela, lua, pae Have you eaten? Mā ona oe? … English-Hawaiian dictionary
eaten — [[t]i͟ːt(ə)n[/t]] Eaten is the past participle of eat … English dictionary
eaten — /eet n/, v. a pp. of eat. * * * … Universalium
eaten — adjective /ˈiːt(ə)n/ That has been consumed by eating … Wiktionary
eaten — iËtn adj. consumed, having been taken into the mouth and swallowed iËt v. consume food; destroy; wear away, corrode; consume … English contemporary dictionary
eaten — a, ari (L). A chain … Dictionary of word roots and combining forms
eaten — UK [ˈiːt(ə)n] / US [ˈɪt(ə)n] eat … English dictionary


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|Message view
|« Date » · « Thread »
|« Date » · « Thread »
|"Antonio Gallardo" <agalla...@agsoftware.dnsalias.com>
|communication method (Was: obfuscate email addresses)
|Thu, 18 Sep 2003 08:10:09 GMT
David Crossley dijo: > Another related issue is when people reply to the cvs commit log emails. > Some people forget to clean up the reply to remove email addresses and > other cruft. Yep. Thanks to point out this! I already saw this, but I forgot to mention about this. I think this is very interesting topic of dicussion around all the cocoon projects. >From my own experience I am sure I started got SPAM because someone spamboted our maillists. I don't use this email address in other way, just in apache related maillists. Is posible to hack a little the maillist manager to ofuscate the body of the messages? Are other people in Apache concerned about the SPAM problem? I think this is a very important topic to raise to the admin of the whole ASF? What you think? Best Regards, Antonio Gallardo
|View raw message


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text:
Richard B. Moore, 72, of Denville, died on Saturday, Feb. 2, 2002, at Saint Clare's Hospital in Denville.
Mr. Moore was born in Morristown and lived in Denville all of his life.
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