A0A5K4FBN2_SCHMA Loading...

ShKT domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,674 aa.

>A0A5K4FBN2_SCHMA|A0A5K4FBN2
MILRLKRIKSIKIMIIMTVILFILFPININSHPIVNDEAAHQHIKTLSNIMGKQLHNNNNTKLFDNIIPNHIITDNDNQLLFKDVASIQGSTTIKNNIMNTTTTTTTNNNNNNNNNNDSKGSNHSLTNERQKTNNHLSQAINNSTLSKQNQSIHHLCSKKECSITIITKETKSKQLDSKRKPFIPRNTSDEMIPNHLSNTKYNITSVGKIDRKKRSSNAFDSKTLNPYESSTENKNKKGKQKNNIYQTRIQMKNEHKENQRIKKDTIKNVENKHKTKNKLNENNYHNNIEKRAQSKNTKREIKKIRKRDKTEIQDEQPADETAEIKQEMIDINNTGQDTEVNEEVNRVSIHSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPHLQMLSEEVTTVPAPLPADVSVIADSIPETPVSEEATTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEATTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPADVSVIADSIPETPVSEEVTTVPAPPPAYVSSFGVSNLESRVSDRFSSGSINNFGSFSDTTDFFLTDNLLLSTVPSTPLDDDIGFSRRPVGGIIKSISNEVLDSNEKVPLPTFTSNIPSNRNINIHISGLNIHEHNRFEFKHGLTVGLILLCILVIMLVLSTVLVLIWIRHRRNKYSGSITLTHIEENDKNVQNTSLRRSRFQSRNNKHDSFTAVEGLVNESKSNKSTNSMKTPAIQKRLELRRKQHVKAKILAHEALLSTDDCSSCDCGFTFKSPSPERLCLTSNLDNDVILTGAWRRQSSDSGDRKSQINQNRINTAEHINDREDELPVVPSINITNFIDNNETSSHYQDMNMNKPNRNSKAWKYIDEN
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M73.1Confident81.7Confident197 Ų197135.5 Ų135.597%0.9764%0.639SS**  0-82.30-124.258.6160.700114L3 R4 L5M1-L3 PolarHBondContact O-N 3.45Å; M1-R4 PolarHBondContact O-N 2.89Å; M1-L5 PolarHBondContact O-N 3.5Å
2I74.4Confident82.1Confident124 Ų124136.7 Ų136.764%0.63664%0.64SS**Hα-helixtrans-50.2-41.1-156.8-58171.6000115.5R4 L5 K6I2-R4 PolarHBondContact O-N 3.1Å; I2-L5 PolarHBondContact O-N 3.34Å; I2-K6 HydrophobicContact CG2-CD 4.31Å; I2-K6 HydrophobicContact CG2-CG 4.4Å; I2-K6 WeakPolarHBondContact O-CB 3.43Å; I2-K6 PolarHBondContact O-N 2.99Å
3L76.1Confident82.5Confident140 Ų140133.9 Ų133.973%0.73363%0.631SS**Hα-helixtrans-68.6-31.5-179.9-110.6161.7000113.6M1 R7M1-L3 PolarHBondContact O-N 3.45Å; L3-R7 WeakPolarHBondContact O-CG 3.39Å; L3-R7 PolarHBondContact O-N 3.19Å
4R81.6Confident82.8Confident174 Ų174132.2 Ų132.266%0.65763%0.625SS**Hα-helixtrans-73.8-41.5170.6-64.2-171.7-171.6175.95110.3M1 I2 K6 R7 I8 E1559M1-R4 PolarHBondContact O-N 2.89Å; I2-R4 PolarHBondContact O-N 3.1Å; R4-K6 PolarHBondContact O-N 3.4Å; R4-R7 WeakPolarHBondContact O-CB 3.3Å; R4-R7 PolarHBondContact O-N 2.84Å; R4-R7 VanDerWaalsContact O-N 3.14Å; R4-I8 WeakPolarHBondContact O-CG1 3.36Å; R4-I8 PolarHBondContact O-N 2.92Å; R4-E1559 IonicContact NH2-OE1 3.7Å; R4-E1559 PolarHBondContact NH2-OE1 2.8Å
5L80.9Confident83.1Confident109 Ų109130.1 Ų130.157%0.57162%0.617SS**Hα-helixtrans-63-42.4177.4-149.376.8000112.4M1 I2 R7 I8 K9M1-L5 PolarHBondContact O-N 3.5Å; I2-L5 PolarHBondContact O-N 3.34Å; L5-R7 PolarHBondContact O-N 2.74Å; L5-I8 PolarHBondContact O-N 2.87Å; L5-K9 WeakPolarHBondContact O-CB 3.36Å; L5-K9 PolarHBondContact O-N 2.85Å
6K85.9Confident83.3Confident153 Ų153127.5 Ų127.567%0.66561%0.607SS**Hα-helixtrans-64.2-36172.4-78.6-172.8175.2-179.30112.6I2 R4 S10I2-K6 HydrophobicContact CG2-CD 4.31Å; I2-K6 HydrophobicContact CG2-CG 4.4Å; I2-K6 WeakPolarHBondContact O-CB 3.43Å; I2-K6 PolarHBondContact O-N 2.99Å; R4-K6 PolarHBondContact O-N 3.4Å; K6-S10 WeakPolarHBondContact O-CB 3.35Å; K6-S10 PolarHBondContact O-N 3.11Å
7R83.8Confident83.3Confident181 Ų181125.8 Ų125.868%0.68360%0.6SS**Hα-helixtrans-64.9-46.1170.9-78.6-177.7177.9-174.51.2111.3L3 R4 L5 S10 I11L3-R7 WeakPolarHBondContact O-CG 3.39Å; L3-R7 PolarHBondContact O-N 3.19Å; R4-R7 WeakPolarHBondContact O-CB 3.3Å; R4-R7 PolarHBondContact O-N 2.84Å; R4-R7 VanDerWaalsContact O-N 3.14Å; L5-R7 PolarHBondContact O-N 2.74Å; R7-S10 PolarHBondContact O-N 3.05Å; R7-I11 WeakPolarHBondContact O-CB 3.24Å; R7-I11 WeakPolarHBondContact O-CD1 2.96Å; R7-I11 WeakPolarHBondContact O-CG1 3.3Å; R7-I11 PolarHBondContact O-N 3.39Å
8I85.5Confident83.3Confident104 Ų104122.9 Ų122.953%0.53359%0.592SS.*Hα-helixtrans-63.3-50178.6-67165000111.1R4 L5 S10 I11 K12R4-I8 WeakPolarHBondContact O-CG1 3.36Å; R4-I8 PolarHBondContact O-N 2.92Å; L5-I8 PolarHBondContact O-N 2.87Å; I8-S10 VanDerWaalsContact C-N 3.31Å; I8-S10 PolarHBondContact O-N 2.86Å; I8-I11 CarbonylContact O-C 3.56Å; I8-I11 WeakPolarHBondContact O-CA 3.44Å; I8-I11 PolarHBondContact O-N 2.88Å; I8-K12 PolarHBondContact O-N 2.94Å
9K85.9Confident83.2Confident153 Ų153120.5 Ų120.567%0.66559%0.585SS**Hα-helixtrans-63.8-36.8178.5-153.7156.5-173.2164.60111L5 I11 I13L5-K9 WeakPolarHBondContact O-CB 3.36Å; L5-K9 PolarHBondContact O-N 2.85Å; K9-I11 PolarHBondContact O-N 2.63Å; K9-I13 HydrophobicContact CG-CD1 4.39Å; K9-I13 WeakPolarHBondContact O-CB 3.37Å; K9-I13 WeakPolarHBondContact O-CD1 3.24Å; K9-I13 WeakPolarHBondContact O-CG1 3.17Å; K9-I13 PolarHBondContact O-N 2.8Å
10S84.9Confident83.1Confident66 Ų66117.7 Ų117.746%0.46257%0.572SS.*Hα-helixtrans-66.8-30.8170.7-173.40000113.8K6 R7 I8 M14K6-S10 WeakPolarHBondContact O-CB 3.35Å; K6-S10 PolarHBondContact O-N 3.11Å; R7-S10 PolarHBondContact O-N 3.05Å; I8-S10 VanDerWaalsContact C-N 3.31Å; I8-S10 PolarHBondContact O-N 2.86Å; S10-M14 WeakPolarHBondContact O-CB 3.33Å; S10-M14 PolarHBondContact O-N 2.92Å
11I86.5Confident82.8Confident89 Ų89116.6 Ų116.646%0.45657%0.569SS.*Hα-helixtrans-76.7-44.3175.3-72.2162.6000110.4R7 I8 K9 I13 M14 I15R7-I11 WeakPolarHBondContact O-CB 3.24Å; R7-I11 WeakPolarHBondContact O-CD1 2.96Å; R7-I11 WeakPolarHBondContact O-CG1 3.3Å; R7-I11 PolarHBondContact O-N 3.39Å; I8-I11 CarbonylContact O-C 3.56Å; I8-I11 WeakPolarHBondContact O-CA 3.44Å; I8-I11 PolarHBondContact O-N 2.88Å; K9-I11 PolarHBondContact O-N 2.63Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.32Å; I11-M14 PolarHBondContact O-N 2.84Å; I11-M14 VanDerWaalsContact O-N 3.1Å; I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.36Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.8Å
12K86.2Confident82.9Confident150 Ų150115.1 Ų115.165%0.65256%0.557SS**Hα-helixtrans-59.7-44.8175-146.1176-174.3-175.10109.9I8 M14 I15 I16I8-K12 PolarHBondContact O-N 2.94Å; K12-M14 PolarHBondContact O-N 3.07Å; K12-I15 PolarHBondContact O-N 3.49Å; K12-I16 HydrophobicContact CG-CD1 4.36Å; K12-I16 WeakPolarHBondContact O-CB 3.31Å; K12-I16 WeakPolarHBondContact O-CD1 3.26Å; K12-I16 VanDerWaalsContact O-CG1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.22Å; K12-I16 PolarHBondContact O-N 2.89Å
13I87.7Confident83.2Confident101 Ų101115.2 Ų115.252%0.51856%0.558SS.*Hα-helixtrans-62.4-40.6172.1-69166.2000112.3K9 I11 M17K9-I13 HydrophobicContact CG-CD1 4.39Å; K9-I13 WeakPolarHBondContact O-CB 3.37Å; K9-I13 WeakPolarHBondContact O-CD1 3.24Å; K9-I13 WeakPolarHBondContact O-CG1 3.17Å; K9-I13 PolarHBondContact O-N 2.8Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.32Å; I13-M17 HydrophobicContact CG2-CG 4.25Å; I13-M17 VanDerWaalsContact O-CB 3.22Å; I13-M17 WeakPolarHBondContact O-CB 3.2Å; I13-M17 VanDerWaalsContact O-CG 3.27Å; I13-M17 WeakPolarHBondContact O-CG 3.43Å; I13-M17 PolarHBondContact O-N 3.18Å
14M86.6Confident83.1Confident110 Ų110113.8 Ų113.854%0.54255%0.55SS.*Hα-helixtrans-67.7-38.6178.3-169.1-169.4-44.500112.2S10 I11 K12 T18S10-M14 WeakPolarHBondContact O-CB 3.33Å; S10-M14 PolarHBondContact O-N 2.92Å; I11-M14 PolarHBondContact O-N 2.84Å; I11-M14 VanDerWaalsContact O-N 3.1Å; K12-M14 PolarHBondContact O-N 3.07Å; M14-T18 VanDerWaalsContact O-CB 3.28Å; M14-T18 WeakPolarHBondContact O-CB 3.39Å; M14-T18 PolarHBondContact O-N 3.32Å; M14-T18 PolarHBondContact O-OG1 3.28Å
15I87Confident82Confident100 Ų100110.7 Ų110.751%0.51354%0.542SS..Hα-helixtrans-65.5-50.9174.4-68.7166.9000109.6I11 K12 M17 T18 V19I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.36Å; I11-I15 WeakPolarHBondContact O-CG1 3.23Å; I11-I15 PolarHBondContact O-N 2.8Å; K12-I15 PolarHBondContact O-N 3.49Å; I15-M17 PolarHBondContact O-N 2.97Å; I15-T18 CarbonylContact O-C 3.57Å; I15-T18 WeakPolarHBondContact O-CA 3.49Å; I15-T18 WeakPolarHBondContact O-CB 3.37Å; I15-T18 PolarHBondContact O-N 3.36Å; I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 3.38Å
16I86.1Confident81Confident89 Ų89110.4 Ų110.446%0.45655%0.546SS..Hα-helixtrans-58.4-46.5177-68.8164.6000110.7K12 T18 V19 I20K12-I16 HydrophobicContact CG-CD1 4.36Å; K12-I16 WeakPolarHBondContact O-CB 3.31Å; K12-I16 WeakPolarHBondContact O-CD1 3.26Å; K12-I16 VanDerWaalsContact O-CG1 3.24Å; K12-I16 WeakPolarHBondContact O-CG1 3.22Å; K12-I16 PolarHBondContact O-N 2.89Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 2.92Å; I16-V19 PolarHBondContact O-N 3.22Å; I16-I20 HydrophobicContact CG2-CD1 3.62Å; I16-I20 HydrophobicContact CG2-CG1 4.34Å; I16-I20 VanDerWaalsContact O-CB 3.25Å; I16-I20 WeakPolarHBondContact O-CB 3.27Å; I16-I20 VanDerWaalsContact O-CG1 3.23Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 2.83Å
17M84.4Confident79.4Confident99 Ų99109.6 Ų109.649%0.48855%0.548SS..Hα-helixtrans-61.8-31.3173.5-78.2-87.396.400113.1I13 I15 I20 L21I13-M17 HydrophobicContact CG2-CG 4.25Å; I13-M17 VanDerWaalsContact O-CB 3.22Å; I13-M17 WeakPolarHBondContact O-CB 3.2Å; I13-M17 VanDerWaalsContact O-CG 3.27Å; I13-M17 WeakPolarHBondContact O-CG 3.43Å; I13-M17 PolarHBondContact O-N 3.18Å; I15-M17 PolarHBondContact O-N 2.97Å; M17-I20 HydrophobicContact CE-CD1 4.47Å; M17-I20 HydrophobicContact CE-CG2 4.47Å; M17-L21 VanDerWaalsContact O-CB 3.29Å; M17-L21 WeakPolarHBondContact O-CB 3.27Å; M17-L21 VanDerWaalsContact O-CD1 3.26Å; M17-L21 WeakPolarHBondContact O-CD1 3.44Å; M17-L21 PolarHBondContact O-N 2.89Å
18T82.4Confident77.4Confident74 Ų74104.8 Ų104.845%0.45454%0.536SS..Hα-helixtrans-77-40.5178-58.90000111.7M14 I15 I16 L21 F22M14-T18 VanDerWaalsContact O-CB 3.28Å; M14-T18 WeakPolarHBondContact O-CB 3.39Å; M14-T18 PolarHBondContact O-N 3.32Å; M14-T18 PolarHBondContact O-OG1 3.28Å; I15-T18 CarbonylContact O-C 3.57Å; I15-T18 WeakPolarHBondContact O-CA 3.49Å; I15-T18 WeakPolarHBondContact O-CB 3.37Å; I15-T18 PolarHBondContact O-N 3.36Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 2.92Å; T18-L21 PolarHBondContact O-N 2.99Å; T18-F22 PolarHBondContact O-N 3.34Å
19V80.9Confident75.5Confident77 Ų77104.4 Ų104.447%0.46753%0.534SS..Hα-helixtrans-64.5-47.5172.9172.50000109.9I15 I16 L21 F22 I23I15-V19 HydrophobicContact CG2-CG2 4.4Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 3.38Å; I16-V19 PolarHBondContact O-N 3.22Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.39Å; V19-F22 WeakPolarHBondContact O-CB 3.37Å; V19-F22 PolarHBondContact O-N 3.06Å; V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 2.73Å
20I81.6Confident73.3Confident64 Ų64103.2 Ų103.233%0.32854%0.535SS..Hα-helixtrans-61.6-35.8173.1-68.8174.6000111.1I16 M17 L24I16-I20 HydrophobicContact CG2-CD1 3.62Å; I16-I20 HydrophobicContact CG2-CG1 4.34Å; I16-I20 VanDerWaalsContact O-CB 3.25Å; I16-I20 WeakPolarHBondContact O-CB 3.27Å; I16-I20 VanDerWaalsContact O-CG1 3.23Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 2.83Å; M17-I20 HydrophobicContact CE-CD1 4.47Å; M17-I20 HydrophobicContact CE-CG2 4.47Å; I20-L24 HydrophobicContact CG2-CD1 3.54Å; I20-L24 HydrophobicContact CG2-CG 4.05Å; I20-L24 WeakPolarHBondContact O-CB 3.41Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.34Å; I20-L24 PolarHBondContact O-N 3.02Å
21L77.2Confident71Confident95 Ų95105 Ų10550%0.49755%0.548SS..Hα-helixtrans-66.8-38.4170.7-109.578.9000112.3M17 T18 V19 F25M17-L21 VanDerWaalsContact O-CB 3.29Å; M17-L21 WeakPolarHBondContact O-CB 3.27Å; M17-L21 VanDerWaalsContact O-CD1 3.26Å; M17-L21 WeakPolarHBondContact O-CD1 3.44Å; M17-L21 PolarHBondContact O-N 2.89Å; T18-L21 PolarHBondContact O-N 2.99Å; V19-L21 VanDerWaalsContact C-N 3.29Å; V19-L21 PolarHBondContact O-N 3.39Å; L21-F25 HydrophobicContact CG-CD2 4.17Å; L21-F25 WeakPolarHBondContact O-CA 3.22Å; L21-F25 VanDerWaalsContact O-CB 3.26Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.48Å
22F76.1Confident68.7Low166 Ų166108.9 Ų108.973%0.72856%0.563SS**Hα-helixtrans-66-39.3177.5-113.9-95.9000112T18 V19T18-F22 PolarHBondContact O-N 3.34Å; V19-F22 WeakPolarHBondContact O-CB 3.37Å; V19-F22 PolarHBondContact O-N 3.06Å
23I78.8Confident66.5Low125 Ų125105.2 Ų105.264%0.64156%0.555SS**Hα-helixtrans-73.3-45177.4-64.4167.5000111.1V19V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 2.73Å
24L75.8Confident64Low111 Ų111107.4 Ų107.458%0.58157%0.566SS**Hα-helixtrans-89.1-13.3-175.7-59.1-176.2000114.9I20I20-L24 HydrophobicContact CG2-CD1 3.54Å; I20-L24 HydrophobicContact CG2-CG 4.05Å; I20-L24 WeakPolarHBondContact O-CB 3.41Å; I20-L24 VanDerWaalsContact O-CG 3.28Å; I20-L24 WeakPolarHBondContact O-CG 3.34Å; I20-L24 PolarHBondContact O-N 3.02Å
25F57.4Low61.8Low108 Ų108108.8 Ų108.847%0.47458%0.581SS.*  trans-128.785.5171.7-73.5-93.8000111.3L21 I27L21-F25 HydrophobicContact CG-CD2 4.17Å; L21-F25 WeakPolarHBondContact O-CA 3.22Å; L21-F25 VanDerWaalsContact O-CB 3.26Å; L21-F25 WeakPolarHBondContact O-CB 3.38Å; L21-F25 PolarHBondContact O-N 3.48Å; F25-I27 HydrophobicContact CB-CG1 4.46Å; F25-I27 VanDerWaalsContact O-CG1 3.3Å; F25-I27 WeakPolarHBondContact O-CG1 3.2Å; F25-I27 PolarHBondContact O-N 3.22Å
26P60.1Low59.4Low103 Ų103110.4 Ų110.467%0.66959%0.59SS**  trans-59.2103.8158.124.8-33.7000109.5N28P26-N28 PolarHBondContact O-N 3.1Å
27I52.8Low57.2Low136 Ų136113.1 Ų113.170%0.69761%0.605SS**  trans-76.885-172.9-55.3-172.3000110.7F25 I29F25-I27 HydrophobicContact CB-CG1 4.46Å; F25-I27 VanDerWaalsContact O-CG1 3.3Å; F25-I27 WeakPolarHBondContact O-CG1 3.2Å; F25-I27 PolarHBondContact O-N 3.22Å; I27-I29 HydrophobicContact CG2-CD1 4.25Å; I27-I29 HydrophobicContact CG2-CG1 4.04Å; I27-I29 PolarHBondContact O-N 3.15Å
28N41.6Very low54.7Low81 Ų81117.3 Ų117.343%0.43362%0.624SS.*  trans-77.4103.5170.7-172.3-22.4000111P26 R308P26-N28 PolarHBondContact O-N 3.1Å; N28-R308 PolarHBondContact O-NH1 3.4Å
29I45.1Very low52.6Low95 Ų95118.3 Ų118.349%0.48764%0.639SS.*  trans-137.696.7162.9-45.8-173.5000109.7I27I27-I29 HydrophobicContact CG2-CD1 4.25Å; I27-I29 HydrophobicContact CG2-CG1 4.04Å; I27-I29 PolarHBondContact O-N 3.15Å
30N39.3Very low50.6Low128 Ų128119.2 Ų119.268%0.68466%0.655SS**  trans-82.1135.6167.4-138.4-8.7000109.6
31S37.7Very low48.3Very low105 Ų105125.8 Ų125.873%0.73468%0.684SS**  trans-162.1120.3162.9-77.70000111.8
32H37.7Very low46.3Very low169 Ų169129.4 Ų129.478%0.78270%0.698SS**  trans-67.2-175.5175.5-88.2-54.8000113.9
33P41Very low44.4Very low74 Ų74128.4 Ų128.448%0.48170%0.696SS.*  cis-136171.41.314.213.4000118.1
34I34.3Very low42.5Very low147 Ų147130.8 Ų130.875%0.75471%0.708SS**  trans47.8123.4137.5-58.7162.7000120.9
35V40.4Very low40.8Very low139 Ų139135.4 Ų135.484%0.84272%0.723SS**  -163158.5119.6142.60000108.8
36N37.6Very low39.9Very low134 Ų134133.7 Ų133.772%0.71772%0.722SS**  trans-86.6151.4-167.8-45.7-52.3000114.8
37D38.3Very low38.9Very low145 Ų145136.8 Ų136.878%0.77573%0.732SS**  175.4119.1116.8-86.8-2.1000107.9
38E32.4Very low38.2Very low188 Ų188135.8 Ų135.888%0.87974%0.737SS**  74.265.973.6-164.4165.6-130.500114.5
39A37.6Very low38.1Very low94 Ų94139.6 Ų139.678%0.77776%0.757SS**  trans-156.2140.4158.600000115H41A39-H41 PolarHBondContact O-N 3.09Å
40A39.9Very low37.9Very low97 Ų97141.7 Ų141.780%0.80277%0.768SS**  trans56.950.1143.800000120.7Q42A40-Q42 PolarHBondContact O-N 3.42Å
41H32.7Very low37.9Very low201 Ų201145.1 Ų145.193%0.93178%0.782SS**  trans-75.666.3155.4-153.185.7000111.1A39A39-H41 PolarHBondContact O-N 3.09Å
42Q35.9Very low37.9Very low171 Ų171143 Ų14380%0.79978%0.778SS**  trans-149.3108.6173.5-85.2-164.5-6.800111.7A40A40-Q42 PolarHBondContact O-N 3.42Å
43H36.8Very low38.1Very low146 Ų146144.7 Ų144.768%0.67678%0.783SS**  trans-173.7-7.6133.4-118.8-93.5000114.7K45 T46H43-K45 PolarHBondContact O-N 3.27Å; H43-T46 PolarHBondContact O-OG1 2.85Å
44I39Very low38Very low174 Ų174149.6 Ų149.689%0.89280%0.799SS**THydrogen-bonded Turntrans-74.362171.8-47.9179.2000110.9
45K38.6Very low38.2Very low208 Ų208149.7 Ų149.790%0.90480%0.8SS**THydrogen-bonded Turntrans-176.134.6157.5-109.1167.7-176.8173.60114.8H43H43-K45 PolarHBondContact O-N 3.27Å
46T38.4Very low38.1Very low73 Ų73152.2 Ų152.245%0.44880%0.803SS.*SBendtrans-1242.7-172-25.20000116.4H43H43-T46 PolarHBondContact O-OG1 2.85Å
47L39Very low38.3Very low167 Ų167152.3 Ų152.387%0.87480%0.803SS**SBendtrans-121.1-14.7-177.2-82.1168.4000116.6N49L47-N49 PolarHBondContact O-N 3.34Å
48S38.3Very low38.4Very low116 Ų116151.4 Ų151.481%0.81180%0.799SS**THydrogen-bonded Turntrans-101.244.9-178.3-163.10000113.8
49N39.9Very low38.9Very low160 Ų160148.6 Ų148.686%0.85679%0.789SS**THydrogen-bonded Turntrans-168.431.7166.8-120.5-84.5000116.1L47L47-N49 PolarHBondContact O-N 3.34Å
50I41.7Very low39Very low140 Ų140150 Ų15072%0.71878%0.784SS**  trans-128.850.8179.6-39.3-177000113.3
51M40Very low38.9Very low199 Ų199150.3 Ų150.398%0.9878%0.776SS**SBendtrans-137.765.7150.7-80.9-148.4-67.500110.6
52G37.7Very low39.3Very low62 Ų62148.8 Ų148.864%0.63977%0.767SS**  trans-161.266-178.500000113.4
53K41.1Very low39.4Very low204 Ų204147.2 Ų147.289%0.88776%0.763SS**  trans-171.985.3169.3-104.6142.7-168.5161.70114.5
54Q38.6Very low39.5Very low177 Ų177147.9 Ų147.983%0.82776%0.764SS**  trans-159.2138.7143.3-75.6-150.357.100106.6
55L39.2Very low39.5Very low148 Ų148145.6 Ų145.678%0.77575%0.754SS**  cis-145.4152-11.5-101.6167.2000107
56H37Very low39.5Very low192 Ų192141.4 Ų141.489%0.88974%0.741SS**  trans-146.9126.3176.6-126.480.5000110.7
57N42.3Very low39.7Very low137 Ų137145.4 Ų145.473%0.73376%0.758SS**  trans-163.8115.2172.1-151-2.5000113.6
58N41.5Very low39.7Very low126 Ų126144.7 Ų144.767%0.67475%0.754SS**  trans67.2145163.5-62.5-37.4000118.2
59N41.3Very low40.4Very low128 Ų128143.7 Ų143.768%0.68475%0.745SS**  cis-159.91603.9-131.2-26.2000114.8
60N40Very low40.5Very low124 Ų124142.2 Ų142.266%0.66374%0.737SS**  trans69.7108.1150.9-82.7-20.4000124.1
61T39.1Very low40.7Very low103 Ų103142.9 Ų142.963%0.63274%0.736SS**  57.1138.2119.6620000120.9
62K40.6Very low41Very low170 Ų170139.6 Ų139.674%0.73972%0.722SS**  cis-169.7-160.514.9-114.7165-168.7167.60108.3
63L38.5Very low41.3Very low137 Ų137142.3 Ų142.372%0.71772%0.72SS**  cis-163.4133.215.9-131.8134.9000109.8
64F37.9Very low41.5Very low160 Ų160138 Ų13870%0.70271%0.711SS**  trans36.1123.6147.4-72.5-96.6000121.6
65D38.8Very low41.7Very low127 Ų127135.6 Ų135.668%0.67970%0.704SS**  78.6151.870.2-81.329.7000113.5
66N39.1Very low41.8Very low119 Ų119134.2 Ų134.264%0.63670%0.697SS**  cis-162.7177.2-1.7-136.8-61.4000109.8
67I41.3Very low42Very low157 Ų157131 Ų13181%0.80569%0.687SS**  trans161.4130131.5-84.6159000112.4
68I38.9Very low41.8Very low152 Ų152129.7 Ų129.778%0.77968%0.68SS**  trans-136.8-125.5165.9-29173.1000106.7
69P53.2Low41.6Very low96 Ų96131 Ų13162%0.62368%0.682SS**  cis-130.1-167.3-17.937.1-15.3000113.9
70N43.7Very low41.5Very low128 Ų128131.7 Ų131.768%0.68469%0.685SS**  trans103.9132.4158.5-56.5-44.5000117.4
71H44.3Very low41.4Very low154 Ų154132.4 Ų132.471%0.71369%0.688SS**  cis-152.2-161.49.3-133.223.4000110.5
72I45.8Very low41.2Very low131 Ų131135.7 Ų135.767%0.67269%0.694SS**  cis-158.9156.821.9-144-168.2000112.3
73I45.8Very low40.9Very low119 Ų119136.5 Ų136.561%0.6170%0.697SS**  trans13.9129.7138.1-69.6170.7000117.6
74T44.3Very low40.6Very low114 Ų114137 Ų13770%0.69970%0.701SS**  cis-173.4164.51317.90000109.8
75D42.7Very low40.5Very low126 Ų126135.6 Ų135.667%0.67471%0.705SS**  cis-159.7171.5-8.9-149.6-5.3000111.7
76N42Very low40.2Very low118 Ų118134 Ų13463%0.63171%0.709SS**  trans61.588.5156-71.9-63.3000120.9
77D41.2Very low39.9Very low125 Ų125133.2 Ų133.267%0.66871%0.713SS**  72.1112.1103.4-81.423.1000122.8
78N38.6Very low39.7Very low110 Ų110132.2 Ų132.259%0.58871%0.708SS**  86.987.5121-73.3-39.5000120.4
79Q37.4Very low39.8Very low154 Ų154133.3 Ų133.372%0.7271%0.71SS**  111152.797.9-100.7-178.875.300118.8
80L38.4Very low39.1Very low142 Ų142131.8 Ų131.874%0.74371%0.711SS**  trans83.4114.3162.8-69.7156.5000119.2
81L36.6Very low38.3Very low139 Ų139131.5 Ų131.573%0.72872%0.719SS**  trans83.681.2140.9-70.8159.9000120.2
82F35.6Very low37.9Very low172 Ų172130.2 Ų130.275%0.75472%0.723SS**  81.8104.2124.7-92.7-127.3000120.1D84F82-D84 PolarHBondContact O-N 3.24Å
83K34.4Very low37.2Very low186 Ų186129.9 Ų129.981%0.80973%0.727SS**  trans69.535139.2-59-166.4173.9-165.80118
84D32.7Very low36.8Very low149 Ų149131.3 Ų131.380%0.79773%0.734SS**  trans-71140.6139.2-88.2-16000109.3F82F82-D84 PolarHBondContact O-N 3.24Å
85V35.5Very low36.3Very low129 Ų129133.9 Ų133.978%0.78274%0.736SS**  cis91.1157.546.51680000111.6
86A32.4Very low36Very low93 Ų93134 Ų13477%0.76974%0.736SS**  trans72.7148.2-169.300000113.7
87S32.6Very low36Very low104 Ų104134.7 Ų134.773%0.72774%0.74SS**  cis-141.2154.66.2-153.20000107.5
88I38Very low35.7Very low135 Ų135135.4 Ų135.469%0.69274%0.742SS**  -156.3154.859.2-83.8-179.3000111.2
89Q40.4Very low35.6Very low175 Ų175137 Ų13782%0.81875%0.748SS**  trans3.5140.9156.4-57.7150.6-1.800118.2
90G38.6Very low35.6Very low64 Ų64136.3 Ų136.366%0.6675%0.749SS**  cis113.599.128.800000109.3
91S27.4Very low35.5Very low122 Ų122135.9 Ų135.985%0.85375%0.753SS**  62.564.189.7-162.20000115.9
92T34.5Very low35.4Very low128 Ų128134.8 Ų134.879%0.78575%0.752SS**  trans-162.5116.1145.421.20000107.1
93T32.1Very low35.5Very low123 Ų123130 Ų13076%0.75574%0.737SS**  69.3139.265.3-51.10000113.5
94I36.6Very low35.8Very low149 Ų149122.7 Ų122.776%0.76471%0.708SS**  trans91.8124.2176.8-55.9-179.5000114.1
95K34.2Very low36.1Very low169 Ų169118.9 Ų118.974%0.73569%0.69SS**  cis-174166.5-17.6-129.4172.4-168.7170.70112.6
96N37.2Very low36.3Very low128 Ų128116.7 Ų116.768%0.68468%0.677SS**  trans75.9152.1162.5-51.6-29000116.6
97N40.6Very low36.7Very low132 Ų132117.9 Ų117.971%0.70668%0.675SS**  cis-170.9149.8-30.6-92.4-28.3000104.7
98I36.6Very low37.1Very low140 Ų140118.8 Ų118.872%0.71867%0.672SS**  -152.7127.553.5-78.7178000110
99M36.6Very low37.2Very low143 Ų143118.2 Ų118.270%0.70467%0.67SS**  trans40.7140.7141.1-54.4-175.6-142.100122
100N37.6Very low37.3Very low141 Ų141115.6 Ų115.675%0.75466%0.662SS**  cis-165.1122.6-6.9-103.4-19.2000109.7
101T34.9Very low37.5Very low132 Ų132118.8 Ų118.881%0.8166%0.664SS**  trans-72.3173.2158.3-23.80000110.4
102T35.6Very low38.3Very low116 Ų116118.8 Ų118.871%0.71265%0.654SS**  trans134.6121.5137-55.70000113.9
103T37.6Very low38.9Very low73 Ų73118.8 Ų118.845%0.44865%0.649SS.*  trans-93.3153.8167.7-64.40000110.3I305T103-I305 HydrophobicContact CG2-CB 3.81Å; T103-I305 HydrophobicContact CG2-CD1 3.92Å; T103-I305 HydrophobicContact CG2-CG1 4.48Å; T103-I305 HydrophobicContact CG2-CG2 3.38Å
104T39.3Very low39.6Very low31 Ų31119 Ų11919%0.1965%0.645CS.*  trans0.7124.5177.3-34.40000120.1I305 R306 D309T104-I305 VanDerWaalsContact OG1-C 3.31Å; T104-I305 PolarHBondContact OG1-O 3.43Å; T104-R306 HydrophobicContact CG2-CB 4.43Å; T104-R306 HydrophobicContact CG2-CG 3.92Å; T104-R306 WeakPolarHBondContact OG1-CA 3.36Å; T104-R306 PolarHBondContact OG1-N 3.33Å; T104-D309 WeakPolarHBondContact CB-OD2 3.35Å; T104-D309 HydrophobicContact CG2-CB 3.74Å; T104-D309 WeakPolarHBondContact CG2-OD2 3.47Å; T104-D309 PolarHBondContact OG1-OD2 3.34Å
105T39.8Very low40.3Very low70 Ų70118.1 Ų118.143%0.42964%0.642SS.*  51.314183.7-8.20000113.9R306T105-R306 WeakPolarHBondContact OG1-CG 3.49Å; T105-R306 PolarHBondContact OG1-NE 3.2Å
106T38.8Very low41Very low82 Ų82116.2 Ų116.250%0.50364%0.64SS.*  cis-159.1132.125.5-43.20000113.3
107T40.7Very low41.6Very low118 Ų118117 Ų11772%0.72465%0.645SS**  trans33.9136.6137.6-39.80000120
108N41.1Very low42Very low124 Ų124116.4 Ų116.466%0.66364%0.641SS**  cis-172.2164.344.8-151.84.1000116.4
109N40.5Very low42.6Very low123 Ų123114.5 Ų114.566%0.65864%0.641SS**  trans64.7145.5150.8-83.9-10.5000120.7
110N42Very low43.3Very low119 Ų119116.1 Ų116.164%0.63664%0.644SS**  cis-163.9159-6.2-147-12.9000113.4
111N43Very low43.8Very low132 Ų132113.1 Ų113.171%0.70665%0.647SS**  trans66.4144.5159-77-30.9000120.5
112N45.4Very low44.6Very low122 Ų122112.7 Ų112.765%0.65265%0.649SS**  cis-165.6147.3-5.5-145.3-17.1000114.8
113N46.8Very low45.2Very low128 Ų128113 Ų11368%0.68465%0.646SS**  trans62.9141.3154.4-78.4-34000122.4
114N47.7Very low45.7Very low126 Ų126118 Ų11867%0.67466%0.664SS**  cis-168.5134.8-5.7-143.3-15.4000115.3
115N50.4Low46Very low131 Ų131120.9 Ų120.970%0.70169%0.686SS**  trans90.5172.4169-57.5-83.2000121.8
116N49.5Very low46.3Very low129 Ų129124.9 Ų124.969%0.6970%0.703SS**  -173.1153.4-61.3-89.5-36.6000115.4
117N49.1Very low46.8Very low145 Ų145126.7 Ų126.778%0.77571%0.714SS**  trans66.3161.8159-74.6107.7000121.8
118D48.7Very low47.2Very low119 Ų119127.1 Ų127.164%0.63671%0.712SS**  cis-167.4-172.4-24.1-142.8-74.2000113.6K120D118-K120 IonicContact OD1-NZ 3.7Å; D118-K120 PolarHBondContact OD1-NZ 3.08Å
119S50.3Low47.5Very low101 Ų101127.4 Ų127.471%0.70671%0.71SS**  trans126.7166159-155.10000121.3
120K50.2Low47.8Very low176 Ų176130.3 Ų130.377%0.76571%0.711SS**  trans-161.9172.9-176-53.391.4-151176.20112.1D118D118-K120 IonicContact OD1-NZ 3.7Å; D118-K120 PolarHBondContact OD1-NZ 3.08Å
121G48.7Very low48Very low79 Ų79129.7 Ų129.781%0.81471%0.705SS**  cis159144.4-7.900000114.4
122S51.6Low48.1Very low123 Ų123128.7 Ų128.786%0.8669%0.694SS**  trans-168.5176177.9-160.70000117.3
123N48.9Very low48Very low123 Ų123127.3 Ų127.366%0.65869%0.69SS**  trans-168.3167-172.245.2-96.3000119.6
124H47.1Very low47.9Very low178 Ų178124.3 Ų124.382%0.82467%0.674SS**  trans109.3157.1166.8-63.6-59.8000120.4
125S46Very low47.9Very low91 Ų91120.3 Ų120.364%0.63665%0.653SS**  cis176.5117.6-23.9179.50000119.5
126L46.7Very low47.9Very low154 Ų154118.2 Ų118.281%0.80664%0.638SS**  trans77.2146.4140.4-65.1174.9000130
127T47.6Very low48.3Very low119 Ų119116.7 Ų116.773%0.7363%0.63SS**  trans77.4151.3146.546.60000125.8
128N49.2Very low48.4Very low127 Ų127112 Ų11268%0.67961%0.608SS**  cis-176.9147-23.9-105.932.9000117.7
129E47.4Very low48.5Very low130 Ų130114.7 Ų114.761%0.60762%0.617SS**  trans81124.2136.7-71.7175.899.800131.6
130R48.3Very low48.4Very low185 Ų185113.2 Ų113.270%0.69861%0.611SS**  trans85.5155.9132.1-70-176.7-157.8-72.9-11127.1
131Q45.7Very low48.1Very low105 Ų105111.7 Ų111.749%0.49161%0.61SS.*  cis176.9138.8-26-137.4164.59.400119R1424Q131-R1424 VanDerWaalsContact CG-NE 3.28Å
132K45.1Very low47.9Very low112 Ų112114.3 Ų114.349%0.48761%0.605SS.*  trans85.3140.2144.9-112.1-170.5171-60.60131.4N1423K132-N1423 VanDerWaalsContact CE-CG 3.46Å; K132-N1423 WeakPolarHBondContact CE-OD1 3.33Å; K132-N1423 WeakPolarHBondContact CG-OD1 3.33Å; K132-N1423 PolarHBondContact NZ-ND2 2.79Å; K132-N1423 PolarHBondContact NZ-OD1 3.44Å
133T42.2Very low47.6Very low93 Ų93114.8 Ų114.857%0.57160%0.598SS**  trans88113.8139600000133.6
134N46Very low47.2Very low65 Ų65113.8 Ų113.835%0.34860%0.6SS.*  70.8124.7110.5-62.299.6000133.6
135N47.6Very low46.9Very low41 Ų41110.8 Ų110.822%0.21960%0.595CS.*  83.5145.2128.6-579000131.2S1226 S1253N135-S1226 VanDerWaalsContact ND2-CB 3.3Å; N135-S1226 WeakPolarHBondContact ND2-CB 3.42Å; N135-S1226 PolarHBondContact ND2-OG 3.07Å; N135-S1226 VanDerWaalsContact ND2-OG 3.07Å; N135-S1253 PolarHBondContact N-OG 3.08Å
136H49.3Very low46.7Very low87 Ų87113.9 Ų113.940%0.40360%0.604SS.*  trans114110.8133.6-68.4-58.6000128.6D1224 D1251H136-D1224 IonicContact CE1-OD1 2.76Å; H136-D1224 IonicContact CG-OD1 2.6Å; H136-D1224 IonicContact ND1-OD1 3.85Å; H136-D1224 PolarHBondContact ND1-OD1 3.2Å; H136-D1251 PolarHBondContact N-O 3.13Å; H136-D1251 VanDerWaalsContact N-O 3.13Å
137L59.1Low46.5Very low98 Ų98110.5 Ų110.551%0.51359%0.593SS.*  trans132.197.5130.9-164.665.4000126.2D1224 A1250 D1251L137-D1224 WeakPolarHBondContact CA-OD1 3.3Å; L137-D1224 WeakPolarHBondContact CD1-OD2 3.49Å; L137-D1224 PolarHBondContact N-OD1 2.97Å; L137-A1250 PolarHBondContact N-O 3.28Å; L137-D1251 PolarHBondContact N-OD2 3.01Å
138S51.8Low46.2Very low45 Ų45113.1 Ų113.132%0.31559%0.594SS.*  trans79.5132.1136.5-79.90000132.8A1223S138-A1223 VanDerWaalsContact OG-CB 3.3Å; S138-A1223 WeakPolarHBondContact OG-CB 3.44Å
139Q50.4Low45.8Very low176 Ų176115.7 Ų115.782%0.82260%0.602SS**  92.8121.2129.4-82.8-169.121.600131.8
140A47.2Very low45.6Very low70 Ų70115.2 Ų115.258%0.57960%0.604SS**  106.1115.4117.700000129.9
141I44.3Very low45.4Very low145 Ų145114.2 Ų114.274%0.74461%0.607SS**  98.5125121.1-71.8174.9000128.2
142N45.2Very low45.1Very low134 Ų134114.9 Ų114.972%0.71762%0.623SS**  trans96.3111.5141.5-87.5-10.7000130.1
143N44.7Very low45Very low133 Ų133117.1 Ų117.171%0.71164%0.639SS**  84.8126.7118.9-75.4-18.8000129.7
144S40.3Very low44.8Very low101 Ų101120.3 Ų120.371%0.70665%0.647SS**  trans85.8150.5132.4-68.90000123.9
145T41.3Very low44.3Very low116 Ų116125.8 Ų125.871%0.71267%0.67SS**  cis-175.7160.2-1731.80000113.7
146L41.3Very low43.8Very low156 Ų156131.1 Ų131.182%0.81770%0.697SS**  trans73.9156.4154.8-99.773.8000119.6
147S42.4Very low43.2Very low83 Ų83132.7 Ų132.758%0.5872%0.717SS**  cis-166.5128.76.4152.40000116.8
148K41.8Very low42.1Very low174 Ų174133.3 Ų133.376%0.75773%0.729SS**  trans64.2129.7138.2-60.2172.9-172.4170.60124
149Q41.8Very low41.4Very low180 Ų180140.6 Ų140.684%0.84176%0.756SS**  -159.3165.1112-104.6146.7109.800109.6
150N41.7Very low40.8Very low121 Ų121139.7 Ų139.765%0.64775%0.749SS**  cis-138.5-138.21.9-152.5-22.3000112.6
151Q43.9Very low40.5Very low164 Ų164143.3 Ų143.377%0.76675%0.754SS**  trans-140.6146.7-176.5-62.4140.3111.300109
152S40.2Very low40.2Very low119 Ų119142.2 Ų142.283%0.83276%0.758SS**  cis89.4125.122.6-166.20000116
153I42.6Very low39.7Very low158 Ų158141 Ų14181%0.8176%0.76SS**  trans-139.8122.4-179-94.2173.2000113
154H38.9Very low39.2Very low161 Ų161142.1 Ų142.175%0.74576%0.764SS**  trans68.691.8153.7-84-87.2000124.4
155H35.6Very low39Very low179 Ų179142.6 Ų142.683%0.82976%0.763SS**  -32.4149.4129.6-80.1-66.6000115.6
156L36.5Very low38.8Very low153 Ų153144.3 Ų144.380%0.80177%0.766SS**  -177.3167.2111-101.1161.1000115.3
157C37.2Very low38.6Very low120 Ų120144.6 Ų144.681%0.81177%0.766SS**  trans68.894.6164.9-78.70000120.5
158S35.7Very low38.2Very low111 Ų111146.3 Ų146.378%0.77677%0.774SS**  trans-81.9146.6144.658.70000111.4
159K37.5Very low37.8Very low199 Ų199146.5 Ų146.587%0.86577%0.774SS**  trans173.3155.3143.8-101.6161-175173.90113.7
160K37.5Very low37.4Very low156 Ų156145.3 Ų145.368%0.67877%0.769SS**  trans77.8115.5173.8-63.2-166.2162.4-72.80114.7
161E40.3Very low37Very low147 Ų147144.4 Ų144.469%0.68777%0.768SS**  81.4123.260.4-72.5158.2-143.100110.9
162C37.5Very low36.5Very low122 Ų122145.9 Ų145.982%0.82477%0.772SS**  cis-137.1145.17.4-82.60000113.1
163S34.5Very low36.2Very low108 Ų108144.7 Ų144.776%0.75576%0.764SS**  trans-85.9165.5156.549.90000110.8
164I35.7Very low35.9Very low157 Ų157146.1 Ų146.181%0.80576%0.764SS**  trans-178.3113.5133.4-95.6157.6000112.3
165T36Very low35.7Very low110 Ų110146.5 Ų146.568%0.67577%0.766SS**  trans49.4103.6133.7-380000121.5
166I36.1Very low36.1Very low153 Ų153145 Ų14579%0.78576%0.763SS**  19.8122.2121.5-45.1170.8000117.1
167I37Very low36.2Very low161 Ų161143.8 Ų143.883%0.82676%0.758SS**  -174.1154.7128.8-98.1156.7000110.9
168T34.5Very low36.5Very low119 Ų119143.7 Ų143.773%0.7376%0.758SS**  trans-71.7165.5-166.254.30000116.8
169K32.8Very low36.8Very low178 Ų178146.8 Ų146.877%0.77476%0.758SS**  trans85.4109.6152.7-76.4-174.2176.5-171.20121.2
170E33.2Very low37.1Very low155 Ų155148.2 Ų148.272%0.72476%0.758SS**  77.6143.5110.2-147.5-176.1165.500119.8
171T33.5Very low37.1Very low102 Ų102150.1 Ų150.163%0.62677%0.766SS**  trans79.8116.416871.50000120.2
172K33.1Very low37Very low196 Ų196148.8 Ų148.885%0.85277%0.77SS**  51.3124.6128.8-53.3170.1-176.4172.70117
173S33.8Very low37.3Very low94 Ų94152.5 Ų152.566%0.65777%0.772SS**  171.415351.277.70000113
174K36.8Very low37.6Very low188 Ų188154.5 Ų154.582%0.81777%0.773SS**  trans61.2127.1142.3-65.4171.7175.9-175.20121.2
175Q35.5Very low38Very low168 Ų168152.5 Ų152.579%0.78577%0.771SS**  133.5143.9107.4-146.9165.1-7.700114.8
176L42.5Very low38.2Very low148 Ų148157.7 Ų157.778%0.77578%0.778SS**  trans88.7135.1172-55.2166.2000117.2
177D40.5Very low38.2Very low128 Ų128156.8 Ų156.868%0.68477%0.774SS**  cis-161.2111.8-37.1-146.2-30.6000111.3
178S43.1Very low38.4Very low118 Ų118155.1 Ų155.183%0.82577%0.772SS**  trans-157.777.3159.7-155.30000114.1
179K42.3Very low38.4Very low175 Ų175154 Ų15476%0.76177%0.769SS**  trans35.4115.4139.8-65.9169.1-172.9165.30121.2
180R42Very low38.8Very low230 Ų230152.3 Ų152.387%0.86877%0.769SS**  trans89.780.9132.5-67.6-175.5171.4-152.4-0.9121.3
181K38.5Very low39.1Very low196 Ų196152.9 Ų152.985%0.85277%0.771SS**  59.8122.4116.6-77.8-166.6167.3-163.50121
182P38.5Very low39.4Very low118 Ų118154.8 Ų154.877%0.76678%0.775SS**  trans-96.9-179.6165.140.8-35.9000113.2
183F43Very low39.8Very low200 Ų200153 Ų15388%0.87777%0.773SS**  trans-141.7116159.4-122.3-85.3000111.3
184I40.7Very low40.3Very low150 Ų150153.3 Ų153.377%0.76977%0.773SS**  trans-144131.6164.2-60.8177000107.2
185P44.1Very low40.6Very low116 Ų116150.5 Ų150.575%0.75377%0.767SS**  trans-113.5124.2156.433.3-21.5000111.2
186R40.1Very low40.6Very low218 Ų218150.1 Ų150.182%0.82376%0.764SS**  trans-76.9150175.4-87.2-178.6168.3159.5-5.2113.1
187N37.1Very low40.5Very low134 Ų134150 Ų15072%0.71776%0.764SS**  trans34.3129.4137.9-48.736000120.3
188T39.9Very low40.4Very low127 Ų127148 Ų14878%0.77976%0.76SS**  169.8112.1112.339.80000107.2
189S36.4Very low40.3Very low96 Ų96149.1 Ų149.167%0.67176%0.757SS**  98.3157.154.775.50000113.2
190D39.9Very low40.2Very low142 Ų142146.5 Ų146.576%0.75976%0.756SS**  trans95.479.7163.1-48.55.1000119
191E39.9Very low40.1Very low166 Ų166144 Ų14478%0.77675%0.751SS**  70.3142.5118.3-119.8-174.6154.900125.2
192M40.3Very low40.1Very low143 Ų143143.2 Ų143.270%0.70474%0.744SS**  trans72.4113.3160.8-53.3-168.7-174.900119.3
193I40Very low40.2Very low157 Ų157143.6 Ų143.681%0.80574%0.739SS**  69.9130.862.7-63.7172.8000112.4
194P45.9Very low40.1Very low102 Ų102140.4 Ų140.466%0.66273%0.73SS**  cis-139.4179.6-7.540-21.1000117.7
195N42.1Very low40.1Very low129 Ų129138.9 Ų138.969%0.6973%0.728SS**  trans71.8135.4140.2-80.825.5000125
196H36.8Very low39.9Very low159 Ų159138 Ų13874%0.73673%0.725SS**  trans88.7131.1138.9-78.8-47.2000122.6
197L39.8Very low39.7Very low146 Ų146134.3 Ų134.376%0.76473%0.726SS**  trans77.989.8147.8-65.4162.1000118.8
198S37.1Very low39.8Very low87 Ų87131.6 Ų131.661%0.60873%0.73SS**  29.7120.2114.264.50000118.9
199N41.8Very low39.9Very low140 Ų140134.3 Ų134.375%0.74973%0.731SS**  177.6138.1107.8-94.10.5000115.2
200T39.6Very low40.2Very low120 Ų120136.7 Ų136.774%0.73673%0.734SS**  trans46.2111.9143.463.10000121.4
201K40.3Very low40.3Very low178 Ų178135.2 Ų135.277%0.77473%0.727SS**  45.1128118.7-98.4173.9172.6174.30120.8
202Y39.1Very low40.5Very low180 Ų180137 Ų13771%0.70673%0.726SS**  trans88125.7141.1-75-52.8000124.5
203N40.4Very low40.6Very low125 Ų125139.3 Ų139.367%0.66873%0.733SS**  105.7124.7120.8-84.6-14.6000123.9
204I40.7Very low40.7Very low133 Ų133140.7 Ų140.768%0.68273%0.733SS**  77.797.5129.4-66.8171.2000119.8
205T40.6Very low40.7Very low118 Ų118146.4 Ų146.472%0.72474%0.741SS**  68.6110.9115.1-48.70000121.8
206S39.9Very low40.8Very low99 Ų99144.7 Ų144.769%0.69274%0.739SS**  trans88.5124.5139.378.70000123.2
207V37.1Very low41.2Very low140 Ų140141.6 Ų141.685%0.84874%0.736SS**  trans43.690.4131.4-168.50000118.8
208G38.9Very low41.3Very low77 Ų77142 Ų14279%0.79474%0.738SS**  trans-137.723.6-172.100000120.7
209K41.8Very low41.5Very low183 Ų183141.3 Ų141.380%0.79674%0.738SS**  trans25.2137.8158-89.7174.2-177.4163.70122.4
210I42.5Very low41.5Very low146 Ų146144.1 Ų144.175%0.74974%0.744SS**  trans92.593.7141-67.2165.7000119.9
211D42.9Very low41.6Very low112 Ų112144.4 Ų144.460%0.59974%0.741SS**  81.8147.5110.7-148.910.9000122.8
212R42.9Very low41.4Very low203 Ų203138.9 Ų138.977%0.76673%0.725SS**  trans89.779.7154.3-79.8159.6-148.3-163.511125.7
213K42.3Very low41.5Very low192 Ų192138.8 Ų138.884%0.83573%0.728SS**  53.1119.193.5-173.3-175.4-170.9166.40120.9
214K43.4Very low41.5Very low185 Ų185138.8 Ų138.880%0.80473%0.733SS**  trans-144.9118.9146.4-95.3161.8-170.1164.30107.7
215R44.3Very low41.5Very low222 Ų222140.6 Ų140.684%0.83874%0.743SS**  83.514988.1-84.1-165.9-172.9-1791.7113.8
216S44.7Very low41.3Very low94 Ų94141.9 Ų141.966%0.65775%0.745SS**  cis174.9147.5-23.148.70000109.7
217S44.8Very low41.7Very low94 Ų94141.7 Ų141.766%0.65774%0.741SS**  cis176.5173.4-19.849.60000109.1
218N42.4Very low41.8Very low154 Ų154144.2 Ų144.282%0.82474%0.737SS**  trans80.4163.9159.7-59.5-8.9000119.3
219A41.2Very low42Very low72 Ų72147.9 Ų147.960%0.59573%0.734SS**  cis174.4175.4-40.900000110.5
220F41.1Very low41.9Very low200 Ų200144.5 Ų144.588%0.87773%0.733SS**  trans69.5149.9168.7-71.3-100.6000118.2
221D41.9Very low41.9Very low125 Ų125142.3 Ų142.367%0.66873%0.731SS**  cis-165.8167.7-26.8-173.739.1000112.7
222S36.8Very low41.9Very low63 Ų63142.8 Ų142.844%0.44174%0.738SS.*  trans-19.6135.6168.173.60000121.5
223K41.6Very low41.8Very low177 Ų177142 Ų14277%0.7774%0.743SS**  161.2116.2109.3-91.8148.9-171.2141.60116
224T39.2Very low41.7Very low125 Ų125140.2 Ų140.277%0.76774%0.743SS**  34.4111.8122.9-37.60000120.3
225L40.4Very low41.7Very low171 Ų171140.5 Ų140.590%0.89574%0.744SS**  -171.3160118.3-102.3162.1000112.6
226N37.5Very low41.8Very low146 Ų146136.8 Ų136.878%0.78174%0.741SS**  trans-118.4173.6-176.5-133.7-1.8000107.7
227P47.5Very low41.9Very low94 Ų94141.9 Ų141.961%0.6175%0.751SS**  cis-141.6-161.5-9.643.7-24.4000114.6
228Y39.9Very low42Very low193 Ų193147 Ų14776%0.75776%0.761SS**  trans90122.2151.1-101.1-111.2000122.9
229E42Very low42.2Very low154 Ų154142.9 Ų142.972%0.7276%0.755SS**  trans61.1102.1142.4-78.9-179.8169.100124.9
230S39.7Very low42.8Very low113 Ų113148.6 Ų148.679%0.7977%0.767SS**  120.2150.999.673.40000120.5
231S43.2Very low43.4Very low99 Ų99146.2 Ų146.269%0.69276%0.758SS**  trans77.3113.6161.7-145.50000121.3
232T43.7Very low44.2Very low123 Ų123149.1 Ų149.176%0.75577%0.765SS**  trans48.4132.6137560000120.9
233E40.5Very low45.5Very low187 Ų187151.8 Ų151.887%0.87477%0.774SS**  cis-157.6146.8-2.2-171.3177.6165.700108.9K235E233-K235 PolarHBondContact O-N 2.68Å
234N40.8Very low47.1Very low154 Ų154148.7 Ų148.782%0.82477%0.766SS**  trans-92.499.1-152.6-166.4-1.2000115.6N236N234-N236 PolarHBondContact O-N 3.24Å
235K43.1Very low48.9Very low190 Ų190148.3 Ų148.383%0.82676%0.758SS**  trans-80101.9160.9-71.6177.1179.8171.20111E233E233-K235 PolarHBondContact O-N 2.68Å
236N45.5Very low50.8Low145 Ų145148.1 Ų148.178%0.77575%0.747SS**  trans-177.5111.2137.5-97.5-28.6000113.7N234N234-N236 PolarHBondContact O-N 3.24Å
237K47Very low52.8Low200 Ų200146.6 Ų146.687%0.8774%0.735SS**  trans-154.635.4160.9-125.8171.3-172.9174.50113.8G239K237-G239 PolarHBondContact O-N 3.06Å
238K46.3Very low54.7Low202 Ų202145 Ų14588%0.87872%0.724SS**THydrogen-bonded Turntrans-6693.3171.2-83.5-169.7172.2-173.80109.8
239G48.2Very low56.8Low67 Ų67144.7 Ų144.769%0.69172%0.721SS**THydrogen-bonded Turntrans-169-42.5177.100000113.4K237K237-G239 PolarHBondContact O-N 3.06Å
240K52.6Low59Low193 Ų193140.9 Ų140.984%0.83971%0.705SS**SBendtrans-85.6-4.1-177.7-69.8-157.7169.4-159.80116
241Q53.8Low61.2Low150 Ų150141.4 Ų141.470%0.70170%0.695SS**Hα-helixtrans-83-15.1-166.3-156.1171.213.600115.2
242K58Low63.4Low186 Ų186141.9 Ų141.981%0.80969%0.687SS**Hα-helixtrans-72.7-36.3179.9-81.3-169.6172.6-172.80113.7N244 I245K242-N244 PolarHBondContact O-N 2.91Å; K242-I245 PolarHBondContact O-N 2.92Å
243N64.6Low65.5Low118 Ų118143.8 Ų143.863%0.63169%0.685SS**Hα-helixtrans-69-36.4-172.9-156.410.6000112.5I245 Y246 Q247N243-I245 VanDerWaalsContact C-N 3.29Å; N243-I245 PolarHBondContact O-N 3.29Å; N243-Y246 WeakPolarHBondContact O-CB 3.38Å; N243-Y246 PolarHBondContact O-N 3.09Å; N243-Y246 VanDerWaalsContact O-N 3.08Å; N243-Q247 PolarHBondContact O-N 3.1Å
244N74.8Confident67.8Low112 Ų112139.6 Ų139.660%0.59967%0.669SS**Hα-helixtrans-62.8-34.6-179.4-157.825.7000112.8K242 Y246 Q247 T248K242-N244 PolarHBondContact O-N 2.91Å; N244-Y246 PolarHBondContact O-N 3.42Å; N244-Q247 PolarHBondContact O-N 2.84Å; N244-T248 PolarHBondContact O-N 3.45Å; N244-T248 PolarHBondContact O-OG1 3.11Å
245I78.8Confident70.1Confident118 Ų118136.9 Ų136.961%0.60565%0.651SS**Hα-helixtrans-66.1-27.5178-65.3163.9000111.7K242 N243K242-I245 PolarHBondContact O-N 2.92Å; N243-I245 VanDerWaalsContact C-N 3.29Å; N243-I245 PolarHBondContact O-N 3.29Å
246Y78.8Confident72.3Confident166 Ų166133.5 Ų133.565%0.65164%0.638SS**Hα-helixtrans-74-47.7175.4-158.1-100.7000110.7N243 N244 T248 R249 I250N243-Y246 WeakPolarHBondContact O-CB 3.38Å; N243-Y246 PolarHBondContact O-N 3.09Å; N243-Y246 VanDerWaalsContact O-N 3.08Å; N244-Y246 PolarHBondContact O-N 3.42Å; Y246-T248 PolarHBondContact O-N 3.43Å; Y246-R249 WeakPolarHBondContact O-CB 3.34Å; Y246-R249 PolarHBondContact O-N 2.92Å; Y246-R249 VanDerWaalsContact O-N 3.07Å; Y246-I250 HydrophobicContact CD1-CD1 3.95Å; Y246-I250 HydrophobicContact CE1-CD1 3.92Å; Y246-I250 PolarHBondContact O-N 2.91Å
247Q80Confident74.3Confident115 Ų115133.5 Ų133.554%0.53763%0.631SS.*Hα-helixtrans-54.7-52.4175.8-76.3-70.95.900112.7N243 N244 R249 I250 Q251N243-Q247 PolarHBondContact O-N 3.1Å; N244-Q247 PolarHBondContact O-N 2.84Å; Q247-R249 PolarHBondContact O-N 3.24Å; Q247-I250 PolarHBondContact O-N 2.89Å; Q247-Q251 PolarHBondContact O-N 3.21Å
248T86.6Confident76.3Confident61 Ų61129.2 Ų129.237%0.37461%0.614SS.*Hα-helixtrans-58.2-27.6178.5-43.20000112.7N244 Y246 M252N244-T248 PolarHBondContact O-N 3.45Å; N244-T248 PolarHBondContact O-OG1 3.11Å; Y246-T248 PolarHBondContact O-N 3.43Å; T248-M252 HydrophobicContact CG2-CE 4.31Å; T248-M252 WeakPolarHBondContact O-CE 3.32Å; T248-M252 WeakPolarHBondContact O-CG 3.38Å; T248-M252 PolarHBondContact O-N 2.91Å
249R85.5Confident78.2Confident185 Ų185124.8 Ų124.870%0.69860%0.6SS**Hα-helixtrans-82-20.5-179.8-151.1-178.4-147.4179.46113.7Y246 Q247Y246-R249 WeakPolarHBondContact O-CB 3.34Å; Y246-R249 PolarHBondContact O-N 2.92Å; Y246-R249 VanDerWaalsContact O-N 3.07Å; Q247-R249 PolarHBondContact O-N 3.24Å
250I87Confident80.1Confident74 Ų74127.3 Ų127.338%0.37959%0.594SS.*Hα-helixtrans-78.1-47.1168.3-62.8172.5000108.7Y246 Q247 M252 K253 N254Y246-I250 HydrophobicContact CD1-CD1 3.95Å; Y246-I250 HydrophobicContact CE1-CD1 3.92Å; Y246-I250 PolarHBondContact O-N 2.91Å; Q247-I250 PolarHBondContact O-N 2.89Å; I250-M252 PolarHBondContact O-N 3.08Å; I250-K253 WeakPolarHBondContact O-CA 3.34Å; I250-K253 WeakPolarHBondContact O-CB 3.37Å; I250-K253 PolarHBondContact O-N 3.01Å; I250-N254 PolarHBondContact O-N 3.36Å; I250-N254 VanDerWaalsContact O-N 3.15Å; I250-N254 PolarHBondContact O-OD1 3.11Å
251Q86.8Confident81.8Confident124 Ų124124 Ų12458%0.57958%0.576SS**Hα-helixtrans-54.6-50.7-180-165.4169.99.400112.5Q247 K253 N254 E255Q247-Q251 PolarHBondContact O-N 3.21Å; Q251-K253 PolarHBondContact O-N 3.49Å; Q251-N254 PolarHBondContact O-N 3.07Å; Q251-E255 PolarHBondContact O-N 3.23Å; Q251-E255 VanDerWaalsContact O-N 3.13Å
252M87.8Confident83.4Confident109 Ų109121.2 Ų121.254%0.53757%0.565SS.*Hα-helixtrans-64.5-18.4176.1-69.3-176.2-65.300114.7T248 I250T248-M252 HydrophobicContact CG2-CE 4.31Å; T248-M252 WeakPolarHBondContact O-CE 3.32Å; T248-M252 WeakPolarHBondContact O-CG 3.38Å; T248-M252 PolarHBondContact O-N 2.91Å; I250-M252 PolarHBondContact O-N 3.08Å
253K89Confident84.9Confident164 Ų164119.6 Ų119.671%0.71356%0.558SS**Hα-helixtrans-78.7-34.8172-94.5-170168.3-165.30111.5I250 Q251 K257I250-K253 WeakPolarHBondContact O-CA 3.34Å; I250-K253 WeakPolarHBondContact O-CB 3.37Å; I250-K253 PolarHBondContact O-N 3.01Å; Q251-K253 PolarHBondContact O-N 3.49Å; K253-K257 PolarHBondContact O-N 3.32Å
254N88.2Confident86.1Confident98 Ų98119 Ų11952%0.52455%0.55SS..Hα-helixtrans-71.6-50.3-179.9-665.1000110.3I250 Q251 H256 K257 E258I250-N254 PolarHBondContact O-N 3.36Å; I250-N254 VanDerWaalsContact O-N 3.15Å; I250-N254 PolarHBondContact O-OD1 3.11Å; Q251-N254 PolarHBondContact O-N 3.07Å; N254-H256 PolarHBondContact O-N 3.03Å; N254-H256 VanDerWaalsContact O-N 3.1Å; N254-K257 PolarHBondContact O-N 3.03Å; N254-E258 WeakPolarHBondContact O-CB 3.34Å; N254-E258 PolarHBondContact O-N 2.89Å
255E89.8Confident86.7Confident97 Ų97115.2 Ų115.245%0.45353%0.53SS..Hα-helixtrans-50.7-38.8174.7-67.6173.4147.900112.1Q251 N259Q251-E255 PolarHBondContact O-N 3.23Å; Q251-E255 VanDerWaalsContact O-N 3.13Å; E255-N259 WeakPolarHBondContact O-CB 3.36Å; E255-N259 PolarHBondContact O-N 3.47Å; E255-N259 PolarHBondContact O-ND2 3.23Å
256H88.8Confident87.1Confident120 Ų120113.8 Ų113.856%0.55653%0.526SS*.Hα-helixtrans-75.1-27.7179.5-169.362.3000114N254 Q260N254-H256 PolarHBondContact O-N 3.03Å; N254-H256 VanDerWaalsContact O-N 3.1Å; H256-Q260 PolarHBondContact CD2-NE2 3.02Å; H256-Q260 PolarHBondContact NE2-NE2 3.11Å; H256-Q260 WeakPolarHBondContact O-CG 3.34Å
257K88.2Confident87.6Confident144 Ų144111.1 Ų111.163%0.62652%0.523SS*.Hα-helixtrans-76.7-39.1174.8-168-178.9-179.7-172.30110.7K253 N254 Q260 R261K253-K257 PolarHBondContact O-N 3.32Å; N254-K257 PolarHBondContact O-N 3.03Å; K257-Q260 PolarHBondContact O-N 2.77Å; K257-R261 PolarHBondContact O-N 3.39Å
258E88.2Confident88Confident111 Ų111109.9 Ų109.952%0.51952%0.515SS..Hα-helixtrans-62.2-49.4175.9-172.6171.8-163.300111.9N254 Q260 R261 I262N254-E258 WeakPolarHBondContact O-CB 3.34Å; N254-E258 PolarHBondContact O-N 2.89Å; E258-Q260 PolarHBondContact O-N 3.49Å; E258-R261 WeakPolarHBondContact O-CB 3.48Å; E258-R261 PolarHBondContact O-N 2.9Å; E258-I262 PolarHBondContact O-N 2.87Å
259N87Confident87.9Confident108 Ų108112.2 Ų112.258%0.57853%0.526SS*.Hα-helixtrans-61.4-14.3173.7-85.3-96.9000114.5E255E255-N259 WeakPolarHBondContact O-CB 3.36Å; E255-N259 PolarHBondContact O-N 3.47Å; E255-N259 PolarHBondContact O-ND2 3.23Å
260Q88.2Confident87.9Confident121 Ų121108.1 Ų108.157%0.56552%0.521SS*.Hα-helixtrans-89.6-25.4172.1-70.3-174.932.200113.2H256 K257 E258H256-Q260 PolarHBondContact CD2-NE2 3.02Å; H256-Q260 PolarHBondContact NE2-NE2 3.11Å; H256-Q260 WeakPolarHBondContact O-CG 3.34Å; K257-Q260 PolarHBondContact O-N 2.77Å; E258-Q260 PolarHBondContact O-N 3.49Å
261R87.6Confident87.8Confident123 Ų123110 Ų11046%0.46453%0.528SS..Hα-helixtrans-68-64.4173.4-76.1-178.9161.6176.1-10.4110.7K257 E258 K263 K264 D265K257-R261 PolarHBondContact O-N 3.39Å; E258-R261 WeakPolarHBondContact O-CB 3.48Å; E258-R261 PolarHBondContact O-N 2.9Å; R261-K263 CarbonylContact O-C 3.11Å; R261-K263 PolarHBondContact O-N 3.5Å; R261-K264 WeakPolarHBondContact O-CA 3.09Å; R261-K264 VanDerWaalsContact O-CB 3.26Å; R261-K264 WeakPolarHBondContact O-CB 3.48Å; R261-K264 PolarHBondContact O-N 3.13Å; R261-D265 PolarHBondContact O-N 3.4Å; R261-D265 VanDerWaalsContact O-N 3.12Å
262I88.4Confident87.6Confident92 Ų92108.5 Ų108.547%0.47252%0.524SS..Hα-helixtrans-40.2-40.4179.7-59.3168.3000112.9E258 D265 T266E258-I262 PolarHBondContact O-N 2.87Å; I262-D265 PolarHBondContact N-OD2 3.42Å; I262-D265 PolarHBondContact O-N 2.82Å; I262-T266 WeakPolarHBondContact O-CB 3.5Å; I262-T266 PolarHBondContact O-N 3.33Å; I262-T266 PolarHBondContact O-OG1 3.44Å
263K88.7Confident87.5Confident151 Ų151111 Ų11166%0.65753%0.532SS*.Hα-helixtrans-73.4-32.3179-170.2175.4179.7-177.10115.4R261 I267R261-K263 CarbonylContact O-C 3.11Å; R261-K263 PolarHBondContact O-N 3.5Å; K263-I267 WeakPolarHBondContact O-CD1 3.09Å; K263-I267 WeakPolarHBondContact O-CG1 3.35Å
264K89.3Confident87.2Confident105 Ų105109.8 Ų109.846%0.45753%0.528SS..Hα-helixtrans-68.1-41.8169.7-175.2-161.9179-161.20109.9R261 I267 K268 D1008R261-K264 WeakPolarHBondContact O-CA 3.09Å; R261-K264 VanDerWaalsContact O-CB 3.26Å; R261-K264 WeakPolarHBondContact O-CB 3.48Å; R261-K264 PolarHBondContact O-N 3.13Å; K264-I267 WeakPolarHBondContact O-CA 3.45Å; K264-I267 WeakPolarHBondContact O-CB 3.18Å; K264-I267 PolarHBondContact O-N 3.46Å; K264-K268 PolarHBondContact O-N 3.44Å; K264-K268 VanDerWaalsContact O-N 3.17Å; K264-D1008 IonicContact NZ-OD2 2.81Å; K264-D1008 PolarHBondContact NZ-OD2 2.98Å
265D88.9Confident86.9Confident34 Ų34110.2 Ų110.218%0.18253%0.526CS..Hα-helixtrans-79.3-36-166.5-46.1-30.1000110.4R261 I262 I267 K268 N269R261-D265 PolarHBondContact O-N 3.4Å; R261-D265 VanDerWaalsContact O-N 3.12Å; I262-D265 PolarHBondContact N-OD2 3.42Å; I262-D265 PolarHBondContact O-N 2.82Å; D265-I267 PolarHBondContact O-N 2.81Å; D265-I267 VanDerWaalsContact O-N 3.14Å; D265-K268 PolarHBondContact O-N 2.85Å; D265-N269 PolarHBondContact O-N 2.88Å; D265-N269 VanDerWaalsContact O-N 3.12Å
266T86.6Confident86.2Confident87 Ų87110.2 Ų110.253%0.53453%0.532SS..Hα-helixtrans-50.7-33.6163.2-59.20000112.9I262 V270I262-T266 WeakPolarHBondContact O-CB 3.5Å; I262-T266 PolarHBondContact O-N 3.33Å; I262-T266 PolarHBondContact O-OG1 3.44Å; T266-V270 WeakPolarHBondContact O-CG2 3.18Å
267I89.7Confident85.6Confident111 Ų111112 Ų11257%0.56954%0.538SS*.Hα-helixtrans-81.1-41.2-179.5-63.6168.5000110.9K263 K264 D265 N269 V270 E271K263-I267 WeakPolarHBondContact O-CD1 3.09Å; K263-I267 WeakPolarHBondContact O-CG1 3.35Å; K264-I267 WeakPolarHBondContact O-CA 3.45Å; K264-I267 WeakPolarHBondContact O-CB 3.18Å; K264-I267 PolarHBondContact O-N 3.46Å; D265-I267 PolarHBondContact O-N 2.81Å; D265-I267 VanDerWaalsContact O-N 3.14Å; I267-N269 PolarHBondContact O-N 3.32Å; I267-V270 PolarHBondContact O-N 2.8Å; I267-E271 PolarHBondContact O-N 2.85Å
268K86.7Confident85.1Confident89 Ų89110.4 Ų110.439%0.38754%0.537SS..Hα-helixtrans-55-48.1174.2-81-175.3166.7-172.80111.9K264 D265 V270 E271 N272 D1008K264-K268 PolarHBondContact O-N 3.44Å; K264-K268 VanDerWaalsContact O-N 3.17Å; D265-K268 PolarHBondContact O-N 2.85Å; K268-V270 VanDerWaalsContact C-N 3.34Å; K268-V270 PolarHBondContact O-N 2.85Å; K268-E271 PolarHBondContact O-N 3.38Å; K268-E271 VanDerWaalsContact O-N 3.08Å; K268-N272 PolarHBondContact O-N 3.01Å; K268-N272 VanDerWaalsContact O-N 3.08Å; K268-D1008 IonicContact NZ-OD1 3.94Å; K268-D1008 PolarHBondContact NZ-OD1 3.08Å; K268-D1008 IonicContact NZ-OD2 3.61Å; K268-D1008 PolarHBondContact NZ-OD2 2.96Å; K268-D1008 VanDerWaalsContact NZ-OD2 3.1Å
269N85.5Confident84.3Confident110 Ų110112.7 Ų112.759%0.58855%0.545SS*.Hα-helixtrans-61.5-41-175.3-165.5-32.4000112.1D265 I267 E271 N272 K273D265-N269 PolarHBondContact O-N 2.88Å; D265-N269 VanDerWaalsContact O-N 3.12Å; I267-N269 PolarHBondContact O-N 3.32Å; N269-E271 VanDerWaalsContact C-N 3.29Å; N269-E271 PolarHBondContact O-N 3.12Å; N269-N272 PolarHBondContact O-N 3.11Å; N269-K273 PolarHBondContact O-N 3.23Å; N269-K273 VanDerWaalsContact O-N 3.09Å
270V86.1Confident83.5Confident99 Ų99114.1 Ų114.160%0.655%0.552SS**Hα-helixtrans-62.1-33.7175.3173.50000112.6T266 I267 K268T266-V270 WeakPolarHBondContact O-CG2 3.18Å; I267-V270 PolarHBondContact O-N 2.8Å; K268-V270 VanDerWaalsContact C-N 3.34Å; K268-V270 PolarHBondContact O-N 2.85Å
271E85.4Confident82.9Confident112 Ų112113.8 Ų113.852%0.52355%0.554SS.*Hα-helixtrans-75.2-43.9177.7-163.2-175.3129.300112.2I267 K268 N269 K273 H274 K275I267-E271 PolarHBondContact O-N 2.85Å; K268-E271 PolarHBondContact O-N 3.38Å; K268-E271 VanDerWaalsContact O-N 3.08Å; N269-E271 VanDerWaalsContact C-N 3.29Å; N269-E271 PolarHBondContact O-N 3.12Å; E271-K273 VanDerWaalsContact C-N 3.34Å; E271-K273 PolarHBondContact O-N 3.29Å; E271-H274 WeakPolarHBondContact O-CA 3.4Å; E271-H274 WeakPolarHBondContact O-CB 3.37Å; E271-H274 PolarHBondContact O-N 3.36Å; E271-K275 PolarHBondContact O-N 2.77Å; E271-K275 VanDerWaalsContact OE1-CE 3.23Å; E271-K275 WeakPolarHBondContact OE1-CE 3.3Å; E271-K275 IonicContact OE1-NZ 2.79Å; E271-K275 PolarHBondContact OE1-NZ 3.08Å
272N82.3Confident82Confident93 Ų93114.3 Ų114.350%0.49756%0.562SS.*Hα-helixtrans-61.5-41.7177.9-82.3-2.3000111.9K268 N269 H274 K275 T276K268-N272 PolarHBondContact O-N 3.01Å; K268-N272 VanDerWaalsContact O-N 3.08Å; N269-N272 PolarHBondContact O-N 3.11Å; N272-H274 PolarHBondContact O-N 3.2Å; N272-K275 PolarHBondContact O-N 3.33Å; N272-T276 PolarHBondContact O-N 3.27Å; N272-T276 PolarHBondContact O-OG1 3.48Å
273K85Confident81Confident163 Ų163116 Ų11671%0.70957%0.571SS**Hα-helixtrans-60.5-18.6174.7-159.1157.5-167.7153.90113.5N269 E271N269-K273 PolarHBondContact O-N 3.23Å; N269-K273 VanDerWaalsContact O-N 3.09Å; E271-K273 VanDerWaalsContact C-N 3.34Å; E271-K273 PolarHBondContact O-N 3.29Å
274H82.4Confident80.3Confident137 Ų137114 Ų11463%0.63457%0.568SS**Hα-helixtrans-87.2-28.8171.8-115.3-59.3000113.8E271 N272E271-H274 WeakPolarHBondContact O-CA 3.4Å; E271-H274 WeakPolarHBondContact O-CB 3.37Å; E271-H274 PolarHBondContact O-N 3.36Å; N272-H274 PolarHBondContact O-N 3.2Å
275K81.5Confident79.6Confident108 Ų108117 Ų11747%0.4758%0.578SS.*Hα-helixtrans-73-47.1177.2-71.4173.4-176.5156.80112.3E271 N272 K277 N278 K279E271-K275 PolarHBondContact O-N 2.77Å; E271-K275 VanDerWaalsContact OE1-CE 3.23Å; E271-K275 WeakPolarHBondContact OE1-CE 3.3Å; E271-K275 IonicContact OE1-NZ 2.79Å; E271-K275 PolarHBondContact OE1-NZ 3.08Å; N272-K275 PolarHBondContact O-N 3.33Å; K275-K277 PolarHBondContact O-N 3.35Å; K275-N278 WeakPolarHBondContact O-CB 3.31Å; K275-N278 PolarHBondContact O-N 2.55Å; K275-K279 PolarHBondContact O-N 2.96Å
276T75.6Confident78.8Confident96 Ų96121.9 Ų121.959%0.58960%0.599SS**Hα-helixtrans-57.1-36.5-179.1-40.60000112N272 N278 K279 L280N272-T276 PolarHBondContact O-N 3.27Å; N272-T276 PolarHBondContact O-OG1 3.48Å; T276-N278 PolarHBondContact O-N 3.41Å; T276-K279 PolarHBondContact O-N 2.83Å; T276-L280 PolarHBondContact O-N 2.83Å
277K77.1Confident78.1Confident157 Ų157121.7 Ų121.768%0.68360%0.595SS**Hα-helixtrans-68-14.4179-137164-169.3164.50114.5K275 N281K275-K277 PolarHBondContact O-N 3.35Å; K277-N281 PolarHBondContact O-ND2 3.4Å
278N76.4Confident77.6Confident112 Ų112121.3 Ų121.360%0.59959%0.594SS**Hα-helixtrans-88.7-46.8170.6-73.5-14.9000111.9K275 T276 L280 N281K275-N278 WeakPolarHBondContact O-CB 3.31Å; K275-N278 PolarHBondContact O-N 2.55Å; T276-N278 PolarHBondContact O-N 3.41Å; N278-L280 VanDerWaalsContact C-N 3.25Å; N278-L280 PolarHBondContact O-N 3.36Å; N278-N281 WeakPolarHBondContact O-CB 3.32Å; N278-N281 PolarHBondContact O-N 2.67Å
279K72.4Confident77.2Confident158 Ų158121.1 Ų121.169%0.68760%0.596SS**Hα-helixtrans-52.2-42.1179.2-81.9-168.4173-173.40112.3K275 T276 N281 E282K275-K279 PolarHBondContact O-N 2.96Å; T276-K279 PolarHBondContact O-N 2.83Å; K279-N281 PolarHBondContact O-N 3.15Å; K279-N281 VanDerWaalsContact O-N 3.07Å; K279-E282 PolarHBondContact O-N 3.29Å
280L70.7Confident76.6Confident138 Ų138121.2 Ų121.272%0.72359%0.593SS**Hα-helixtrans-58.6-24.2-179.8-147.982.3000114.1T276 N278T276-L280 PolarHBondContact O-N 2.83Å; N278-L280 VanDerWaalsContact C-N 3.25Å; N278-L280 PolarHBondContact O-N 3.36Å
281N73.7Confident76.3Confident115 Ų115123 Ų12362%0.61559%0.593SS**Hα-helixtrans-82.5-20177.2-74.4-69.6000113.4K277 N278 K279K277-N281 PolarHBondContact O-ND2 3.4Å; N278-N281 WeakPolarHBondContact O-CB 3.32Å; N278-N281 PolarHBondContact O-N 2.67Å; K279-N281 PolarHBondContact O-N 3.15Å; K279-N281 VanDerWaalsContact O-N 3.07Å
282E70.1Confident75.9Confident134 Ų134126.3 Ų126.363%0.62660%0.601SS**Hα-helixtrans-84.6-39.4-176.2-63.3-170.1118.100112.2K279 N284 Y285 H286K279-E282 PolarHBondContact O-N 3.29Å; E282-N284 VanDerWaalsContact C-N 3.27Å; E282-N284 PolarHBondContact O-N 3.02Å; E282-Y285 WeakPolarHBondContact O-CA 3.1Å; E282-Y285 VanDerWaalsContact O-CB 3.23Å; E282-Y285 WeakPolarHBondContact O-CB 3.34Å; E282-Y285 PolarHBondContact O-N 2.99Å; E282-H286 PolarHBondContact O-N 3.02Å; E282-H286 VanDerWaalsContact O-N 3.15Å
283N67.7Low75.5Confident126 Ų126124.3 Ų124.367%0.67460%0.597SS**Hα-helixtrans-60.2-38.1175.4-71.54.3000111.9Y285 H286 N287N283-Y285 PolarHBondContact O-N 3.21Å; N283-H286 PolarHBondContact O-N 3.28Å; N283-N287 PolarHBondContact O-N 3.16Å
284N74Confident75Confident109 Ų109121.8 Ų121.858%0.58359%0.588SS**Hα-helixtrans-66.2-23.8175.5-149.1-32.3000112.4E282 N288E282-N284 VanDerWaalsContact C-N 3.27Å; E282-N284 PolarHBondContact O-N 3.02Å; N284-N288 PolarHBondContact O-ND2 2.9Å
285Y73.8Confident74.7Confident170 Ų170119 Ų11967%0.66758%0.584SS**Hα-helixtrans-76.3-40.6172.3-154.2-90.5000112E282 N283 N288 I289E282-Y285 WeakPolarHBondContact O-CA 3.1Å; E282-Y285 VanDerWaalsContact O-CB 3.23Å; E282-Y285 WeakPolarHBondContact O-CB 3.34Å; E282-Y285 PolarHBondContact O-N 2.99Å; N283-Y285 PolarHBondContact O-N 3.21Å; Y285-N288 WeakPolarHBondContact O-CB 3.29Å; Y285-N288 PolarHBondContact O-N 3.49Å; Y285-I289 HydrophobicContact CD1-CD1 3.86Å; Y285-I289 HydrophobicContact CD1-CG1 4.33Å; Y285-I289 HydrophobicContact CE1-CD1 4Å; Y285-I289 HydrophobicContact CE1-CG1 4.42Å; Y285-I289 PolarHBondContact O-N 3.23Å
286H71.6Confident74.5Confident136 Ų136120 Ų12063%0.6359%0.588SS**Hα-helixtrans-66.1-45.5-178.8-126.695.6000112.5E282 N283 N288 I289 E290E282-H286 PolarHBondContact O-N 3.02Å; E282-H286 VanDerWaalsContact O-N 3.15Å; N283-H286 PolarHBondContact O-N 3.28Å; H286-N288 PolarHBondContact O-N 3.41Å; H286-N288 VanDerWaalsContact O-N 3.17Å; H286-I289 WeakPolarHBondContact O-CA 3.26Å; H286-I289 WeakPolarHBondContact O-CB 3.47Å; H286-I289 PolarHBondContact O-N 2.78Å; H286-E290 PolarHBondContact O-N 2.81Å; H286-E290 VanDerWaalsContact O-N 3.15Å
287N72.7Confident74.4Confident83 Ų83119.7 Ų119.744%0.44458%0.583SS.*Hα-helixtrans-58.7-31177.2-154.9-62.4000112N283 K291N283-N287 PolarHBondContact O-N 3.16Å; N287-K291 PolarHBondContact O-N 2.6Å; N287-K291 WeakPolarHBondContact OD1-CE 3.28Å; N287-K291 PolarHBondContact OD1-NZ 3.41Å
288N78Confident74.3Confident103 Ų103116.2 Ų116.255%0.55158%0.575SS**Hα-helixtrans-76-25173.2-88.3-75.1000114.3N284 Y285 H286 R292N284-N288 PolarHBondContact O-ND2 2.9Å; Y285-N288 WeakPolarHBondContact O-CB 3.29Å; Y285-N288 PolarHBondContact O-N 3.49Å; H286-N288 PolarHBondContact O-N 3.41Å; H286-N288 VanDerWaalsContact O-N 3.17Å; N288-R292 WeakPolarHBondContact O-CB 3.49Å
289I78.6Confident74.5Confident85 Ų85118.8 Ų118.844%0.43658%0.581SS.*Hα-helixtrans-73.1-42.9173-68.5171.1000110.1Y285 H286 R292 A293Y285-I289 HydrophobicContact CD1-CD1 3.86Å; Y285-I289 HydrophobicContact CD1-CG1 4.33Å; Y285-I289 HydrophobicContact CE1-CD1 4Å; Y285-I289 HydrophobicContact CE1-CG1 4.42Å; Y285-I289 PolarHBondContact O-N 3.23Å; H286-I289 WeakPolarHBondContact O-CA 3.26Å; H286-I289 WeakPolarHBondContact O-CB 3.47Å; H286-I289 PolarHBondContact O-N 2.78Å; I289-R292 CarbonylContact O-C 3.58Å; I289-R292 WeakPolarHBondContact O-CA 3.06Å; I289-R292 VanDerWaalsContact O-CB 3.3Å; I289-R292 WeakPolarHBondContact O-CB 3.22Å; I289-R292 PolarHBondContact O-N 3.39Å; I289-R292 VanDerWaalsContact O-N 3.13Å; I289-A293 PolarHBondContact O-N 3.13Å
290E74.2Confident74.6Confident112 Ų112119.5 Ų119.552%0.52358%0.579SS.*Hα-helixtrans-69-47.6-174.4-163.4-168.9159.500113H286 R292 A293 Q294H286-E290 PolarHBondContact O-N 2.81Å; H286-E290 VanDerWaalsContact O-N 3.15Å; E290-R292 PolarHBondContact O-N 2.9Å; E290-A293 WeakPolarHBondContact O-CA 3.29Å; E290-A293 WeakPolarHBondContact O-CB 3.44Å; E290-A293 PolarHBondContact O-N 2.9Å; E290-Q294 PolarHBondContact O-N 3.24Å; E290-Q294 PolarHBondContact OE1-NE2 2.95Å
291K78.8Confident74.7Confident135 Ų135115.3 Ų115.359%0.58756%0.556SS**Hα-helixtrans-53.7-29.2171.2-76.4165.2175.3152.60111.8N287 S295N287-K291 PolarHBondContact O-N 2.6Å; N287-K291 WeakPolarHBondContact OD1-CE 3.28Å; N287-K291 PolarHBondContact OD1-NZ 3.41Å; K291-S295 WeakPolarHBondContact O-CB 3.33Å; K291-S295 PolarHBondContact O-N 2.96Å
292R77.6Confident74.8Confident182 Ų182113.4 Ų113.469%0.68755%0.545SS*.Hα-helixtrans-85.4-12.9175.9-153.4178.4-166.3-172.37.6114.2N288 I289 E290 K296N288-R292 WeakPolarHBondContact O-CB 3.49Å; I289-R292 CarbonylContact O-C 3.58Å; I289-R292 WeakPolarHBondContact O-CA 3.06Å; I289-R292 VanDerWaalsContact O-CB 3.3Å; I289-R292 WeakPolarHBondContact O-CB 3.22Å; I289-R292 PolarHBondContact O-N 3.39Å; I289-R292 VanDerWaalsContact O-N 3.13Å; E290-R292 PolarHBondContact O-N 2.9Å; R292-K296 VanDerWaalsContact O-CD 3.26Å; R292-K296 WeakPolarHBondContact O-CD 3.27Å; R292-K296 WeakPolarHBondContact O-CE 3.49Å; R292-K296 WeakPolarHBondContact O-CG 3.43Å
293A72.7Confident75.2Confident51 Ų51114.6 Ų114.642%0.42155%0.548SS..Hα-helixtrans-86.4-51.3169.800000110.8I289 E290 S295 K296 N297I289-A293 PolarHBondContact O-N 3.13Å; E290-A293 WeakPolarHBondContact O-CA 3.29Å; E290-A293 WeakPolarHBondContact O-CB 3.44Å; E290-A293 PolarHBondContact O-N 2.9Å; A293-S295 VanDerWaalsContact C-N 3.33Å; A293-S295 PolarHBondContact O-N 3.28Å; A293-K296 WeakPolarHBondContact O-CB 3.22Å; A293-K296 PolarHBondContact O-N 3.02Å; A293-N297 PolarHBondContact O-N 3.04Å
294Q75Confident75.5Confident110 Ų110112.6 Ų112.651%0.51453%0.533SS..Hα-helixtrans-52.9-49.8176.7-64.3178.63.600111E290 K296 N297 T298E290-Q294 PolarHBondContact O-N 3.24Å; E290-Q294 PolarHBondContact OE1-NE2 2.95Å; Q294-K296 PolarHBondContact O-N 2.98Å; Q294-K296 VanDerWaalsContact O-N 3.08Å; Q294-N297 PolarHBondContact O-N 3.16Å; Q294-T298 PolarHBondContact O-N 3.5Å; Q294-T298 PolarHBondContact O-OG1 3.37Å
295S76Confident75.4Confident79 Ų79108.2 Ų108.255%0.55251%0.509SS*.Hα-helixtrans-54.7-28.6175.8-173.50000114.7K291 A293 K299K291-S295 WeakPolarHBondContact O-CB 3.33Å; K291-S295 PolarHBondContact O-N 2.96Å; A293-S295 VanDerWaalsContact C-N 3.33Å; A293-S295 PolarHBondContact O-N 3.28Å; S295-K299 WeakPolarHBondContact O-CB 3.08Å
296K78.1Confident75.2Confident130 Ų130107.5 Ų107.557%0.56551%0.506SS*.Hα-helixtrans-79-31.9176.1-68.3166.7-172.6161.50112.4R292 A293 Q294 R300R292-K296 VanDerWaalsContact O-CD 3.26Å; R292-K296 WeakPolarHBondContact O-CD 3.27Å; R292-K296 WeakPolarHBondContact O-CE 3.49Å; R292-K296 WeakPolarHBondContact O-CG 3.43Å; A293-K296 WeakPolarHBondContact O-CB 3.22Å; A293-K296 PolarHBondContact O-N 3.02Å; Q294-K296 PolarHBondContact O-N 2.98Å; Q294-K296 VanDerWaalsContact O-N 3.08Å; K296-R300 PolarHBondContact O-N 3.39Å
297N73.1Confident75Confident89 Ų89109.1 Ų109.148%0.47651%0.511SS..Hα-helixtrans-74.6-44.9179.5-105.73.5000111.8A293 Q294 K299 R300 E301A293-N297 PolarHBondContact O-N 3.04Å; Q294-N297 PolarHBondContact O-N 3.16Å; N297-K299 PolarHBondContact O-N 2.85Å; N297-K299 VanDerWaalsContact O-N 3.15Å; N297-R300 WeakPolarHBondContact O-CA 3.43Å; N297-R300 WeakPolarHBondContact O-CB 3.45Å; N297-R300 PolarHBondContact O-N 3.39Å; N297-E301 PolarHBondContact O-N 3.49Å
298T75.7Confident74.4Confident83 Ų83110 Ų11051%0.50951%0.508SS..Hα-helixtrans-54.7-38173.8-30.10000111.5Q294 R300 E301 I302Q294-T298 PolarHBondContact O-N 3.5Å; Q294-T298 PolarHBondContact O-OG1 3.37Å; T298-R300 VanDerWaalsContact C-N 3.31Å; T298-R300 PolarHBondContact O-N 2.94Å; T298-E301 PolarHBondContact O-N 3.14Å; T298-I302 HydrophobicContact CG2-CD1 4.19Å; T298-I302 WeakPolarHBondContact O-CG1 3.23Å; T298-I302 PolarHBondContact O-N 3.02Å
299K79Confident73.5Confident167 Ų167108.3 Ų108.373%0.72650%0.499SS*.Hα-helixtrans-74.8-15.3178.5-155165.5-169.31650114.2S295 N297S295-K299 WeakPolarHBondContact O-CB 3.08Å; N297-K299 PolarHBondContact O-N 2.85Å; N297-K299 VanDerWaalsContact O-N 3.15Å
300R74.5Confident72.4Confident173 Ų173112.2 Ų112.265%0.65351%0.513SS*.Hα-helixtrans-86.9-43.2168.6-75.5174166.7-175.8-4.6111.1K296 N297 T298 K303 K304K296-R300 PolarHBondContact O-N 3.39Å; N297-R300 WeakPolarHBondContact O-CA 3.43Å; N297-R300 WeakPolarHBondContact O-CB 3.45Å; N297-R300 PolarHBondContact O-N 3.39Å; T298-R300 VanDerWaalsContact C-N 3.31Å; T298-R300 PolarHBondContact O-N 2.94Å; R300-K303 CarbonylContact O-C 3.56Å; R300-K303 WeakPolarHBondContact O-CB 3.21Å; R300-K303 PolarHBondContact O-N 2.82Å; R300-K303 VanDerWaalsContact O-N 3.11Å; R300-K304 PolarHBondContact O-N 3.26Å
301E73.8Confident71.1Confident49 Ų49112.4 Ų112.423%0.22952%0.522CS..Hα-helixtrans-57.9-54.4176.3-81.7-57.1109.600112.4N297 T298 K303 K304 I305N297-E301 PolarHBondContact O-N 3.49Å; T298-E301 PolarHBondContact O-N 3.14Å; E301-K303 PolarHBondContact O-N 3.48Å; E301-K304 WeakPolarHBondContact O-CB 3.42Å; E301-K304 PolarHBondContact O-N 2.85Å; E301-K304 WeakPolarHBondContact OE1-CD 3.39Å; E301-K304 IonicContact OE1-NZ 2.83Å; E301-K304 PolarHBondContact OE1-NZ 3.45Å; E301-I305 PolarHBondContact O-N 3.42Å
302I76.4Confident69.5Low76 Ų76115 Ų11539%0.3954%0.536SS..Hα-helixtrans-56.7-24.6177.1-66.1167.4000111.7T298 R306T298-I302 HydrophobicContact CG2-CD1 4.19Å; T298-I302 WeakPolarHBondContact O-CG1 3.23Å; T298-I302 PolarHBondContact O-N 3.02Å; I302-R306 VanDerWaalsContact O-CB 3.31Å; I302-R306 WeakPolarHBondContact O-CB 3.33Å
303K77.7Confident68Low158 Ų158112.2 Ų112.269%0.68753%0.534SS*.Hα-helixtrans-88.3-20.7176.8-163.8174.5-178.3-179.30114R300 E301R300-K303 CarbonylContact O-C 3.56Å; R300-K303 WeakPolarHBondContact O-CB 3.21Å; R300-K303 PolarHBondContact O-N 2.82Å; R300-K303 VanDerWaalsContact O-N 3.11Å; E301-K303 PolarHBondContact O-N 3.48Å
304K74Confident66.5Low85 Ų85118.8 Ų118.837%0.3756%0.555SS.*Hα-helixtrans-77.8-48.7170.3-74.1-177.8-168.3157.10111.2R300 E301 R306 K307 R308R300-K304 PolarHBondContact O-N 3.26Å; E301-K304 WeakPolarHBondContact O-CB 3.42Å; E301-K304 PolarHBondContact O-N 2.85Å; E301-K304 WeakPolarHBondContact OE1-CD 3.39Å; E301-K304 IonicContact OE1-NZ 2.83Å; E301-K304 PolarHBondContact OE1-NZ 3.45Å; K304-R306 VanDerWaalsContact C-N 3.27Å; K304-R306 PolarHBondContact O-N 3.09Å; K304-K307 WeakPolarHBondContact O-CA 3.45Å; K304-K307 WeakPolarHBondContact O-CB 3.15Å; K304-K307 PolarHBondContact O-N 2.82Å; K304-R308 PolarHBondContact O-N 2.95Å
305I72.6Confident65Low16 Ų16121 Ų1218%0.08257%0.571CS.*Hα-helixtrans-64.3-39.2-176.5-46.5164.6000109.5T103 T104 E301 K307 R308 D309T103-I305 HydrophobicContact CG2-CB 3.81Å; T103-I305 HydrophobicContact CG2-CD1 3.92Å; T103-I305 HydrophobicContact CG2-CG1 4.48Å; T103-I305 HydrophobicContact CG2-CG2 3.38Å; T104-I305 VanDerWaalsContact OG1-C 3.31Å; T104-I305 PolarHBondContact OG1-O 3.43Å; E301-I305 PolarHBondContact O-N 3.42Å; I305-K307 PolarHBondContact O-N 3.48Å; I305-R308 PolarHBondContact O-N 3.36Å; I305-D309 WeakPolarHBondContact CG2-OD2 3.44Å; I305-D309 VanDerWaalsContact O-OD2 3.11Å
306R69Low63.4Low155 Ų155126.5 Ų126.559%0.58559%0.588SS**Hα-helixtrans-63.97.6171.1-138.1177.6-162.3154.210116.2T104 T105 I302 K304T104-R306 HydrophobicContact CG2-CB 4.43Å; T104-R306 HydrophobicContact CG2-CG 3.92Å; T104-R306 WeakPolarHBondContact OG1-CA 3.36Å; T104-R306 PolarHBondContact OG1-N 3.33Å; T105-R306 WeakPolarHBondContact OG1-CG 3.49Å; T105-R306 PolarHBondContact OG1-NE 3.2Å; I302-R306 VanDerWaalsContact O-CB 3.31Å; I302-R306 WeakPolarHBondContact O-CB 3.33Å; K304-R306 VanDerWaalsContact C-N 3.27Å; K304-R306 PolarHBondContact O-N 3.09Å
307K66.9Low61.6Low171 Ų171129 Ų12974%0.74360%0.602SS**Hα-helixtrans-121.5-11.3170.5-85.6-169164.8-1600114.3K304 I305K304-K307 WeakPolarHBondContact O-CA 3.45Å; K304-K307 WeakPolarHBondContact O-CB 3.15Å; K304-K307 PolarHBondContact O-N 2.82Å; I305-K307 PolarHBondContact O-N 3.48Å
308R60.3Low59.9Low102 Ų102130.5 Ų130.539%0.38562%0.616SS.*Hα-helixtrans-89.1-40.4177.2-69.7-163.8-178.5115.7-10.1112.4N28 K304 I305 K310N28-R308 PolarHBondContact O-NH1 3.4Å; K304-R308 PolarHBondContact O-N 2.95Å; I305-R308 PolarHBondContact O-N 3.36Å; R308-K310 PolarHBondContact O-N 3.23Å
309D59.9Low58.3Low67 Ų67130.3 Ų130.336%0.35862%0.623SS.*THydrogen-bonded Turntrans-77.757.7-176.5-35-51.9000111.7T104 I305T104-D309 WeakPolarHBondContact CB-OD2 3.35Å; T104-D309 HydrophobicContact CG2-CB 3.74Å; T104-D309 WeakPolarHBondContact CG2-OD2 3.47Å; T104-D309 PolarHBondContact OG1-OD2 3.34Å; I305-D309 WeakPolarHBondContact CG2-OD2 3.44Å; I305-D309 VanDerWaalsContact O-OD2 3.11Å
310K55.1Low56.7Low166 Ų166129.9 Ų129.972%0.72263%0.628SS**THydrogen-bonded Turntrans-153.21.9-175.1-137.6-171.4174.8-175.60118R308R308-K310 PolarHBondContact O-N 3.23Å
311T47.8Very low55.2Low117 Ų117129.8 Ų129.872%0.71864%0.635SS**SBendtrans-157.9133.1173.815.90000110.1
312E44.1Very low53.7Low189 Ų189133.2 Ų133.288%0.88366%0.66SS**SBendtrans62.5134.8-178.3-66.5170.8115.800114.3
313I46.1Very low52.2Low124 Ų124133.8 Ų133.864%0.63668%0.676SS**  cis-124.21332.7-60.5173.3000109.8
314Q41.9Very low50.5Low188 Ų188134.1 Ų134.188%0.87968%0.68SS**  trans-131.9124.5156.8-82.4-169.9-47.800107
315D42.6Very low49.2Very low158 Ų158135.6 Ų135.685%0.84569%0.691SS**  trans-165.294.7159.3-108.6-31.4000111
316E43.6Very low47.7Very low194 Ų194143 Ų14391%0.90772%0.722SS**  trans-134.9141.3146.8-99.8-161.3141.200108.5
317Q38.8Very low46.4Very low183 Ų183141.4 Ų141.486%0.85572%0.721SS**  trans-66.9160.8-171.2-89.8-167.4-6000113.5
318P38.6Very low45.2Very low120 Ų120140 Ų14078%0.77972%0.717SS**  cis-151.817642.143.1-22.4000120.5
319A42Very low44.3Very low78 Ų78141.4 Ų141.465%0.64573%0.73SS**  trans88.5127.9148.200000121.6
320D45.3Very low43.6Very low158 Ų158144.6 Ų144.685%0.84575%0.746SS**  trans80.5134.7142.2-74.3-29.1000125.2
321E42.6Very low42.8Very low172 Ų172142.4 Ų142.480%0.80474%0.742SS**  trans64.798.8150.7-64-159.1126.400124.1
322T42.4Very low42.4Very low120 Ų120143.1 Ų143.174%0.73674%0.74SS**  83.2103.4110.3-55.60000121.3
323A44.1Very low42Very low88 Ų88140.3 Ų140.373%0.72773%0.731SS**  trans67.9162.3141.600000118.6
324E43.9Very low41.6Very low165 Ų165140.6 Ų140.677%0.77173%0.734SS**  cis-155.8171.4-0.9-144.1-167.8138.200110.8
325I44.8Very low41.2Very low117 Ų117138.5 Ų138.560%0.673%0.734SS**  trans89.495.4148.9-72.8159.9000121.5
326K42.5Very low41Very low172 Ų172134 Ų13475%0.74873%0.725SS**  78.2149.1122.9-65.3-168.3177.7-177.10123.6
327Q41.8Very low40.6Very low121 Ų121133 Ų13357%0.56572%0.72SS**  cis-174.5151.5-16.1176.5154.6-9.300113.2
328E41.6Very low40.5Very low140 Ų140130.4 Ų130.465%0.65471%0.712SS**  trans68.7153.8157.3-82.1161.3-176.500120.5
329M40.8Very low40.6Very low132 Ų132130.1 Ų130.165%0.6571%0.709SS**  cis-153.7141.5-0.2-128.4140.7-172.800108.8
330I44.9Very low40.4Very low134 Ų134134.4 Ų134.469%0.68772%0.715SS**  61138.597.9-70.6-176.1000114.7
331D39.4Very low40.3Very low120 Ų120132.2 Ų132.264%0.64271%0.707SS**  cis-156.3150.6-1.1-108.64.6000107.7
332I39.3Very low40Very low132 Ų132130.6 Ų130.668%0.67770%0.704SS**  73.912670.3-62.4-179.4000116.6
333N35.8Very low40Very low130 Ų130132.6 Ų132.670%0.69571%0.705SS**  trans86.1117.5155.5-79.6-20.6000124.7
334N37.4Very low39.7Very low130 Ų130135.6 Ų135.670%0.69570%0.704SS**  77.4147.5125-66.3-27000124.6
335T33.7Very low39.5Very low144 Ų144132.2 Ų132.288%0.88370%0.695SS**  trans65136158.740.10000118.9
336G37.3Very low39.1Very low64 Ų64131 Ų13166%0.6669%0.689SS**  cis161.4-172.3-5.400000113
337Q34.7Very low38.8Very low173 Ų173131.6 Ų131.681%0.80869%0.687SS**  trans73.3122.7163-56.6-158.5-102.500116.8
338D37.3Very low38.5Very low128 Ų128130.7 Ų130.768%0.68469%0.689SS**  85.3145.778.8-59.3-19.1000111.5
339T40.7Very low38.2Very low115 Ų115128.5 Ų128.571%0.70669%0.69SS**  cis-156.71434.78.80000105.5
340E38.3Very low38.1Very low168 Ų168128.7 Ų128.779%0.78569%0.692SS**  88.2151.162.1-154.6-169.2-157.400115
341V42.2Very low37.8Very low111 Ų111130.6 Ų130.667%0.67370%0.697SS**  trans72.2118.9170.2-156.60000115.8
342N37.3Very low37.9Very low139 Ų139129.8 Ų129.874%0.74370%0.701SS**  cis89.2167.423.8-153.513.6000115.4
343E42.7Very low38Very low162 Ų162129.7 Ų129.776%0.75770%0.701SS**  trans71.1157.8178.1-66.4-169.2176.900118.8
344E37.9Very low38Very low151 Ų151129.2 Ų129.271%0.70670%0.704SS**  cis-165.4-174.1-48.1-134.6-148.3130.400111.5
345V39.8Very low38.5Very low94 Ų94131.2 Ų131.257%0.5771%0.709SS**  trans64.4109.7142.8159.60000122.1
346N35.9Very low38.6Very low91 Ų91130.9 Ų130.949%0.48771%0.707SS.*  35.4118.2110.1-117.6-17000119.5R1501N346-R1501 VanDerWaalsContact CG-NH2 3.34Å; N346-R1501 PolarHBondContact OD1-NH2 3.05Å
347R36.1Very low38.9Very low185 Ų185133.4 Ų133.470%0.69871%0.713SS**  177.1161.478.9-99.4173.6-178.5-174.51.5113.4R1502R347-R1502 VanDerWaalsContact C-NH1 3.32Å; R347-R1502 VanDerWaalsContact O-CZ 3.26Å; R347-R1502 PolarHBondContact O-NH1 2.97Å; R347-R1502 PolarHBondContact O-NH2 3.35Å
348V36.5Very low39.1Very low102 Ų102131.9 Ų131.962%0.61872%0.715SS**  trans56.1146.2139.7170.90000120.2R1502V348-R1502 PolarHBondContact O-NH1 3.26Å
349S34.6Very low39Very low94 Ų94130 Ų13066%0.65771%0.711SS**  cis-178-168.5-25-80.60000107.8
350I39.2Very low38.9Very low135 Ų135132.7 Ų132.769%0.69272%0.716SS**  trans88.7116148.6-36-175.9000118.8
351H38.3Very low38.7Very low175 Ų175133 Ų13381%0.8172%0.717SS**  trans50.7154.6151.7-63-25.9000121.3
352S40.3Very low38.4Very low102 Ų102133 Ų13371%0.71372%0.718SS**  cis-170.4-171.7-20.4-82.70000105.6
353I42.1Very low38.3Very low131 Ų131131.5 Ų131.567%0.67271%0.713SS**  cis-151.3154.16.8-164.4167.7000109.2
354P35.8Very low38.2Very low119 Ų119129.4 Ų129.477%0.77371%0.712SS**  trans-104.5146.2167.636.8-29.7000112.6
355E47.1Very low38.2Very low172 Ų172128.4 Ų128.480%0.80472%0.716SS**  trans-137.1124.2171.6-70.4-168.5164.600113.5
356T37.4Very low38.3Very low137 Ų137130.1 Ų130.184%0.8473%0.729SS**  trans-153.5171.7158.357.90000106.1
357P42.4Very low38.3Very low118 Ų118130.4 Ų130.477%0.76674%0.744SS**  cis-111.8-155.8-31.339.3-24.7000108.9
358V40.2Very low39Very low141 Ų141127.3 Ų127.386%0.85575%0.748SS**  trans-170.4154.6133.1137.10000110.1
359S34.7Very low39.5Very low88 Ų88128.1 Ų128.162%0.61576%0.755SS**  trans-109.6-165.4-173.147.30000112.7
360E37.6Very low40.2Very low171 Ų171129 Ų12980%0.79976%0.759SS**  trans86.7104154.6-70.8167.9173.500120.3
361E34.2Very low40.1Very low174 Ų174126.5 Ų126.581%0.81376%0.758SS**  85.1168.6112.9-152.4-176.3-140.600119.5
362V35.8Very low40Very low113 Ų113125.4 Ų125.469%0.68576%0.758SS**  trans83123.1160.5-179.10000117.2
363T35.1Very low39.8Very low106 Ų106126.6 Ų126.665%0.6576%0.761SS**  cis-169.4-176.1-17.836.80000108.9
364T40.4Very low39.6Very low119 Ų119125.5 Ų125.573%0.7377%0.765SS**  trans74.4120.4153.544.10000118.1
365V38.4Very low39.7Very low130 Ų130125.6 Ų125.679%0.78876%0.763SS**  cis69.7115.221.6-168.40000112.8
366P41.8Very low39.4Very low130 Ų130124.3 Ų124.384%0.84476%0.76SS**  -145.3171.886.340.1-23.1000117.5
367A36.8Very low39.5Very low96 Ų96121.9 Ų121.979%0.79375%0.754SS**  trans-137-114.5-17700000116.9
368P51Low39.4Very low120 Ų120122.4 Ų122.478%0.77975%0.75SS**  trans-71.1175.9-148.435.4-43.4000117.1
369P47.2Very low39.4Very low119 Ų119119.5 Ų119.577%0.77374%0.736SS**  cis-124.6-157.615.646.2-30.3000113
370P47.8Very low39.6Very low114 Ų114122.7 Ų122.774%0.7474%0.744SS**  cis-122.6174.8-2.641.5-23.9000114.2
371A38.7Very low39.9Very low82 Ų82119.5 Ų119.568%0.67874%0.739SS**  cis88.3137.226.400000117.4
372D35.9Very low40.2Very low152 Ų152119 Ų11981%0.81374%0.736SS**  trans83.7110.9161-64.5-17.6000124.1
373V34.6Very low40.3Very low126 Ų126118.8 Ų118.876%0.76474%0.736SS**  87.4138.2120.2170.40000122.5
374S39.1Very low40.6Very low108 Ų108119.5 Ų119.576%0.75574%0.742SS**  trans81.8152.5153.564.50000121.7
375V37.9Very low40.4Very low122 Ų122120.4 Ų120.474%0.73975%0.747SS**  cis-175.5159.9-29.475.50000110.4
376I39.7Very low40.3Very low145 Ų145118.9 Ų118.974%0.74474%0.742SS**  trans70.5142165.7-79162.6000114.5
377A39.8Very low40Very low85 Ų85121.7 Ų121.770%0.70274%0.744SS**  cis-128.6-126.530.100000116.8
378D40.8Very low40Very low130 Ų130125.7 Ų125.770%0.69575%0.746SS**  trans-165.6162.2-131.6-83.4-79.5000111.4
379S40.7Very low39.1Very low80 Ų80125.8 Ų125.856%0.55975%0.745SS**  cis176.6146.9-19.2-96.10000111.2
380I38.3Very low38.4Very low154 Ų154125.3 Ų125.379%0.7974%0.74SS**  trans75.9149.6142.9-68.1164000118.3
381P44.8Very low37.8Very low105 Ų105125.6 Ų125.668%0.68274%0.739SS**  cis-115.7-151.12.345.7-32.9000112.6
382E40.5Very low37.5Very low163 Ų163127.9 Ų127.976%0.76274%0.744SS**  cis-156.1174.1-8.7-156.144.3-8100111.2
383T36.2Very low37.7Very low109 Ų109126.2 Ų126.267%0.66974%0.742SS**  trans-148.1164166.459.20000111.5
384P41.4Very low37.6Very low120 Ų120124.3 Ų124.378%0.77974%0.739SS**  -152.9140.89434.7-13.8000116.2
385V37.6Very low37.9Very low138 Ų138124.1 Ų124.184%0.83674%0.736SS**  77.1140.681.4-179.60000116.6
386S35.2Very low37.6Very low98 Ų98126 Ų12669%0.68574%0.736SS**  trans-102.9-171-171.856.80000115.3
387E36.9Very low37.1Very low189 Ų189124.9 Ų124.988%0.88373%0.731SS**  trans77.7152.7179.4-50.2-172.3148.400113.9
388E35.9Very low36.7Very low180 Ų180128.6 Ų128.684%0.84173%0.734SS**  cis-14216021-166.8-179.8-175.400114.1
389V32.7Very low36.2Very low123 Ų123129.1 Ų129.175%0.74573%0.734SS**  trans-46.9158.3177.5-168.10000116.7
390T33Very low35.9Very low109 Ų109131.9 Ų131.967%0.66974%0.741SS**  148.5108.4122.5-53.30000118.1
391T35Very low35.8Very low119 Ų119129.2 Ų129.273%0.7374%0.736SS**  trans48.5118.4151.165.40000124.5
392V31.6Very low35.5Very low130 Ų130132.4 Ų132.479%0.78874%0.742SS**  36.4137.897-178.90000118.3
393P40Very low35.4Very low118 Ų118132.5 Ų132.577%0.76674%0.743SS**  cis-133.3-171.7-0.637-16.1000116
394A33.4Very low35.5Very low85 Ų85132.6 Ų132.670%0.70274%0.743SS**  trans-69.3-173.116000000112.4
395P45.6Very low35.4Very low105 Ų105132.4 Ų132.468%0.68274%0.74SS**  cis-145.1-169.37.242.5-21.1000117.4
396H30.5Very low35.6Very low162 Ų162131.2 Ų131.275%0.7573%0.733SS**  trans81.3132.4141.9-89.2-30.5000123.5
397L29.3Very low35.9Very low120 Ų120132.9 Ų132.963%0.62874%0.739SS**  trans80.1104.2132.5-71.1169.4000121.7
398Q30.9Very low36.5Very low164 Ų164128.9 Ų128.977%0.76673%0.729SS**  73.6142.1116.5-90.4-176.98.500122.5
399M31.5Very low37.3Very low140 Ų140124.5 Ų124.569%0.6972%0.724SS**  trans86.4117.9138.6-71.8-95.1-79.800121.2
400L33.3Very low38.2Very low138 Ų138123.7 Ų123.772%0.72372%0.721SS**  trans83.7152.3137.5-68.3172000122
401S36.2Very low38.8Very low98 Ų98126.1 Ų126.169%0.68573%0.729SS**  trans72.7139.114853.30000119.1
402E38.1Very low39.5Very low173 Ų173125.8 Ų125.881%0.80873%0.729SS**  cis-169.7-179.5-18.6-130.2167150.400110.4
403E39.6Very low40.2Very low164 Ų164123.1 Ų123.177%0.76672%0.721SS**  trans66.3113.5154.7-77.4-156.3111.500120.1
404V38.8Very low40.1Very low111 Ų111124.7 Ų124.767%0.67372%0.722SS**  84.212785.4161.30000112.4
405T38.4Very low40.4Very low117 Ų117127.3 Ų127.372%0.71873%0.729SS**  -164119.961-17.20000114.8
406T41.1Very low40Very low113 Ų113127.4 Ų127.469%0.69373%0.733SS**  trans48.3125.2131.863.60000126.5
407V42.6Very low40.4Very low133 Ų133126.4 Ų126.481%0.80674%0.737SS**  66.2146.6117.8176.40000119.9
408P48.4Very low41Very low105 Ų105128.6 Ų128.668%0.68275%0.748SS**  cis-131.2149.29.126.1-2.7000119.3
409A52.2Low41.5Very low88 Ų88125.2 Ų125.273%0.72775%0.748SS**  17.5162.6112.300000122.6
410P52.3Low42Very low105 Ų105125.8 Ų125.868%0.68275%0.754SS**  cis-148.5175.8-26.642.6-24000117.2
411L45.1Very low42.4Very low160 Ų160125 Ų12584%0.83876%0.76SS**  trans30164.3130.5-61172.1000123.1
412P51.2Low42.9Very low113 Ų113127.8 Ų127.873%0.73477%0.766SS**  cis-142.9-167.2-27.635.5-14000114.9
413A45Very low43.2Very low74 Ų74125.6 Ų125.661%0.61277%0.767SS**  trans108.1107.5135.300000120.3
414D37.6Very low43.4Very low150 Ų150125.9 Ų125.980%0.80277%0.768SS**  40.5123.2118.9-39.8-22.5000120.2
415V40.2Very low43.6Very low141 Ų141126.6 Ų126.686%0.85577%0.773SS**  178.9144.795152.90000109.9
416S37.5Very low44.1Very low107 Ų107126.2 Ų126.275%0.74877%0.772SS**  trans-81.3162.3177.754.20000114.2
417V39.8Very low44.2Very low140 Ų140127.7 Ų127.785%0.84878%0.781SS**  trans-168.5147.5140.6133.90000110.8
418I40.2Very low44Very low166 Ų166126.5 Ų126.585%0.85178%0.779SS**  trans-99.4136-179.8-60.8159.6000109.8
419A42.1Very low44.1Very low93 Ų93131 Ų13177%0.76979%0.791SS**  trans-159.5143.8165.500000112.7
420D41.8Very low43.5Very low152 Ų152136.2 Ų136.281%0.81380%0.8SS**  trans-80.9162.9-167.5-46.3-84.8000117.1
421S41.7Very low43.1Very low122 Ų122135.8 Ų135.885%0.85381%0.805SS**  trans113.7136.2143.7-50.90000119.6
422I47.6Very low42.7Very low156 Ų156135.2 Ų135.280%0.881%0.808SS**  trans-81.5161-176.2-12.5177.1000113
423P43.3Very low42.3Very low128 Ų128135.6 Ų135.683%0.83181%0.809SS**  -147.6-173.888.238.8-19.4000116.1
424E44.7Very low42.3Very low169 Ų169139 Ų13979%0.7982%0.822SS**  trans-92.6146.3-158.9-60.8173.1138.800118.3
425T43.6Very low43Very low127 Ų127137.3 Ų137.378%0.77982%0.819SS**  trans67.5164142.961.20000121.7
426P47.8Very low43.6Very low108 Ų108134.7 Ų134.770%0.70181%0.812SS**  cis-140.1-168.7-44.738-19000114.9
427V43.3Very low44.8Very low145 Ų145135.4 Ų135.488%0.87981%0.814SS**  trans93146.9167.4-171.90000117.2
428S39.8Very low45.8Very low108 Ų108134.2 Ų134.276%0.75581%0.809SS**  trans-121.9159.5-15747.60000116.4
429E49.2Very low46.6Very low200 Ų200132.3 Ų132.394%0.93581%0.807SS**  trans-144.5166.9163.6-82-170.5152.800109.6
430E40.2Very low46.8Very low197 Ų197131.7 Ų131.792%0.92180%0.803SS**  trans-76.8148.3-172.6-52.3165.4145.100114.5
431A44.5Very low46.6Very low96 Ų96132.2 Ų132.279%0.79381%0.805SS**  trans-160.5130.2158.700000113.8
432T36.1Very low46.5Very low148 Ų148132.5 Ų132.591%0.90880%0.802SS**  trans-88.6126.8172.9-21.30000111.3
433T42.2Very low45.9Very low121 Ų121130.8 Ų130.874%0.74280%0.803SS**  trans-145.6129.1169.650.30000112.7P435T433-P435 WeakPolarHBondContact O-CD 3.42Å
434V45Very low45.7Very low145 Ų145130.8 Ų130.888%0.87980%0.801SS**PPolyproline II helixtrans-75.7120.3170.2178.80000109.5
435P51.7Low45.3Very low115 Ų115129.5 Ų129.575%0.74780%0.798SS**PPolyproline II helixtrans-72.4138.7173.7-16.132000111.4T433T433-P435 WeakPolarHBondContact O-CD 3.42Å
436A53.5Low45.1Very low85 Ų85127.4 Ų127.470%0.70279%0.793SS**PPolyproline II helixtrans-77.1152.2165.400000109.9
437P63.1Low44.8Very low122 Ų122130 Ų13079%0.79280%0.801SS**PPolyproline II helixtrans-60.9132.6-175.323.5-34.3000112
438P61.2Low44.4Very low116 Ų116127.1 Ų127.175%0.75379%0.787SS**PPolyproline II helixtrans-70.1153.7174.430.1-34.4000111.3
439P56.3Low44.7Very low125 Ų125129.9 Ų129.981%0.81279%0.792SS**PPolyproline II helixtrans-74.3158.9173.833-35.5000111.8
440A46.3Very low44.3Very low81 Ų81126 Ų12667%0.66978%0.784SS**SBendtrans-66.9167.5-179.200000114.5
441D38.5Very low44.3Very low162 Ų162122.8 Ų122.887%0.86677%0.769SS**  trans67.256.6162.3-51.5-19.7000118
442V39.7Very low44.3Very low129 Ų129124.2 Ų124.278%0.78277%0.768SS**  trans-140.8122158.8-164.40000111.8V444V442-V444 HydrophobicContact CG1-CG2 3.98Å
443S34.9Very low44.6Very low119 Ų119123 Ų12383%0.83276%0.763SS**  trans-100.3130.7170.945.80000111.7
444V38.9Very low44.9Very low128 Ų128123.1 Ų123.178%0.77676%0.763SS**  trans-147.5138.5178.1-173.50000109.4V442V442-V444 HydrophobicContact CG1-CG2 3.98Å
445I35.4Very low44.7Very low143 Ų143121 Ų12173%0.73376%0.755SS**  trans-127.5127.8179.8-57.7165.5000108
446A39.7Very low44.6Very low82 Ų82122.8 Ų122.868%0.67875%0.753SS**  trans-175123.2163.500000114.6
447D42Very low43.9Very low162 Ų162128.3 Ų128.387%0.86676%0.764SS**  trans44.6121.9141.5-50.5-10.2000122.7
448S34.6Very low43.1Very low85 Ų85127.4 Ų127.459%0.59476%0.756SS**  trans-117.7126.4-179.8-60.30000115.3
449I45.5Very low42Very low166 Ų166128.6 Ų128.685%0.85176%0.762SS**  trans-162.3146.7166.8-59.8-173.3000108.1
450P42Very low41.5Very low118 Ų118127.6 Ų127.677%0.76675%0.754SS**  cis-125.5177.3-1737.8-21.7000114.4
451E39Very low41.6Very low131 Ų131130.2 Ų130.261%0.61276%0.761SS**  trans-73.9154.2173.3-61.2139.8-133.700115.9
452T43.9Very low42.3Very low126 Ų126127.8 Ų127.877%0.77375%0.754SS**  trans-148.4123.6142.150.60000109.7
453P42.8Very low43.3Very low122 Ų122125.7 Ų125.779%0.79275%0.75SS**  trans-77.6137.1-178.630.3-34.7000112.7
454V48.8Very low44.7Very low123 Ų123125.6 Ų125.675%0.74575%0.747SS**  trans-141.5116.7170.4-179.40000107.9E456V454-E456 PolarHBondContact O-N 2.9Å
455S40.3Very low45.8Very low101 Ų101124.2 Ų124.271%0.70674%0.74SS**  trans-83110.5-179.857.50000111.4
456E50.5Low46.9Very low152 Ų152122.5 Ų122.571%0.7174%0.738SS**  trans-136.7131.5166.1-68.9-163.5152.700109.9V454 V458V454-E456 PolarHBondContact O-N 2.9Å; E456-V458 HydrophobicContact CB-CG2 4.22Å; E456-V458 PolarHBondContact O-N 3.33Å; E456-V458 VanDerWaalsContact O-N 3.1Å
457E39.5Very low47.3Very low201 Ų201122.2 Ų122.294%0.93974%0.736SS**  trans-66.9104.9172.4-66.4176.6140.700109.9
458V44.8Very low47.3Very low103 Ų103122.2 Ų122.262%0.62474%0.736SS**  trans-116.688178.3-164.60000111.6E456 T460E456-V458 HydrophobicContact CB-CG2 4.22Å; E456-V458 PolarHBondContact O-N 3.33Å; E456-V458 VanDerWaalsContact O-N 3.1Å; V458-T460 HydrophobicContact CG1-CG2 3.78Å; V458-T460 PolarHBondContact O-N 2.92Å
459T39.3Very low47.6Very low141 Ų141123.2 Ų123.287%0.86574%0.739SS**  trans-65103.1171.1-350000110.3
460T45.3Very low47.3Very low105 Ų105121.3 Ų121.364%0.64474%0.74SS**  trans-108.4141.417365.40000110.9V458V458-T460 HydrophobicContact CG1-CG2 3.78Å; V458-T460 PolarHBondContact O-N 2.92Å
461V48.6Very low47.2Very low136 Ų136121 Ų12182%0.82474%0.736SS**  trans-107.5112170.3179.10000106.8A463V461-A463 PolarHBondContact O-N 3.05Å
462P53.9Low47.1Very low110 Ų110122.3 Ų122.371%0.71475%0.745SS**PPolyproline II helixtrans-59.2135.2176.9-2535000111.4
463A59.6Low46.9Very low85 Ų85120.4 Ų120.470%0.70274%0.742SS**PPolyproline II helixtrans-73.3141.9163.900000108.7V461V461-A463 PolarHBondContact O-N 3.05Å
464P63.4Low47Very low118 Ų118120.8 Ų120.877%0.76674%0.738SS**PPolyproline II helixtrans-60.8134.9-179.624.9-34000110.6
465P62.4Low46.3Very low98 Ų98118.5 Ų118.564%0.63673%0.727SS**PPolyproline II helixtrans-65.9152.717927.9-34.5000111.2
466P59.4Low46.5Very low107 Ų107119.1 Ų119.170%0.69572%0.721SS**PPolyproline II helixtrans-65.6145.7168.730.4-34.3000110.2
467A47.2Very low46.1Very low76 Ų76116.6 Ų116.663%0.62872%0.718SS**SBendtrans-63.2160.6171.100000111.8
468D42Very low46.2Very low163 Ų163111.1 Ų111.187%0.87269%0.692SS**  trans64.963.4173.6-49.8-20.9000115.9
469V40.7Very low46.3Very low106 Ų106109.9 Ų109.964%0.64269%0.685SS**  trans-134.9118.6165.9-164.10000111.4V471V469-V471 HydrophobicContact CG1-CG2 3.76Å
470S40.1Very low46.5Very low125 Ų125107.9 Ų107.987%0.87467%0.674SS**  trans-98.5125.9168.7460000110.6
471V39.6Very low46.6Very low113 Ų113107.3 Ų107.369%0.68567%0.671SS**  trans-129.5135.6-177.1-174.30000109.3V469V469-V471 HydrophobicContact CG1-CG2 3.76Å
472I37.6Very low46.3Very low157 Ų157106 Ų10681%0.80567%0.667SS**  trans-120127.7172.2-56.3169.6000105.4
473A40.3Very low46.1Very low87 Ų87105.9 Ų105.972%0.71966%0.657SS**  trans-149.7132.7-176.700000111.3
474D43.8Very low45.2Very low130 Ų130111.4 Ų111.470%0.69567%0.669SS**  trans-86.3149.4-174-46.9-74.2000113.3
475S34.4Very low44.3Very low74 Ų74110.6 Ų110.652%0.51766%0.662SS.*  trans-71.5136.8-173-40.40000115.5I503S475-I503 WeakPolarHBondContact CB-O 3.28Å; S475-I503 PolarHBondContact OG-O 2.97Å
476I44.3Very low43.3Very low115 Ų115112.6 Ų112.659%0.5967%0.672SS**  trans-154162.1172.1-9.6174.8000111
477P42.1Very low42.7Very low98 Ų98112.2 Ų112.264%0.63667%0.668SS**  -98.8165.1-10440.1-27.5000114.9
478E41.6Very low42.9Very low86 Ų86115 Ų11540%0.40268%0.677SS.*  trans-83.6140.2-176.2-48.597.312600114.7T506E478-T506 VanDerWaalsContact CG-OG1 3.3Å; E478-T506 WeakPolarHBondContact CG-OG1 3.27Å; E478-T506 WeakPolarHBondContact OE1-CB 3.19Å; E478-T506 WeakPolarHBondContact OE1-CG2 3.33Å; E478-T506 PolarHBondContact OE1-N 2.94Å; E478-T506 PolarHBondContact OE1-OG1 3.45Å
479T46.4Very low43.4Very low77 Ų77111.2 Ų111.247%0.47266%0.661SS.*  trans-136.6125151.5480000109.1
480P43Very low44.4Very low99 Ų99110.1 Ų110.164%0.64366%0.663SS**  trans-76.5128.1-176.529.5-34.4000111.5V508P480-V508 HydrophobicContact CB-CG1 3.8Å; P480-V508 HydrophobicContact CB-CG2 4.24Å
481V48.2Very low45.5Very low93 Ų93109.4 Ų109.456%0.56466%0.655SS**  trans-137.9102.6174.4-176.20000108.4E483V481-E483 HydrophobicContact CG1-CG 4.4Å; V481-E483 PolarHBondContact O-N 3.09Å
482S42.8Very low46.6Very low108 Ų108107.9 Ų107.976%0.75565%0.648SS**  trans-70.1106.9-176.859.50000112.4E510S482-E510 WeakPolarHBondContact CA-OE1 3.21Å
483E48.2Very low47.6Very low108 Ų108104 Ų10451%0.50563%0.633SS.*  trans-132.8129.2171.3-67.1-165.9167.100111V481 V485V481-E483 HydrophobicContact CG1-CG 4.4Å; V481-E483 PolarHBondContact O-N 3.09Å; E483-V485 VanDerWaalsContact C-N 3.34Å; E483-V485 HydrophobicContact CB-CG2 3.99Å; E483-V485 PolarHBondContact O-N 2.66Å
484E41Very low48.1Very low201 Ų201103.2 Ų103.294%0.93963%0.626SS**  trans-71.181.3175.3-70-178.3156.800111.3T486E484-T486 PolarHBondContact O-N 2.89Å
485V44.3Very low48Very low102 Ų102104.5 Ų104.562%0.61863%0.633SS**  trans-93.287.5-178.2-164.60000111.9E483 T487E483-V485 VanDerWaalsContact C-N 3.34Å; E483-V485 HydrophobicContact CB-CG2 3.99Å; E483-V485 PolarHBondContact O-N 2.66Å; V485-T487 HydrophobicContact CG1-CG2 3.77Å; V485-T487 PolarHBondContact O-N 3.49Å
486T42.9Very low48.3Very low139 Ų139105.3 Ų105.385%0.85364%0.635SS**  trans-68.488.4173.9-360000111.7E484E484-T486 PolarHBondContact O-N 2.89Å
487T45.4Very low48.1Very low100 Ų100105.5 Ų105.561%0.61365%0.647SS**  trans-90.9142.6172.367.20000111.6V485V485-T487 HydrophobicContact CG1-CG2 3.77Å; V485-T487 PolarHBondContact O-N 3.49Å
488V51.6Low48Very low135 Ų135105.8 Ų105.882%0.81865%0.646SS**  trans-110.3109.7167.8177.60000107.1A490V488-A490 PolarHBondContact O-N 3.1Å
489P53.7Low47.8Very low83 Ų83108.9 Ų108.954%0.53966%0.664SS.*PPolyproline II helixtrans-58.8132.5177.8-25.635.1000111.5
490A60.7Low47.4Very low82 Ų82109.5 Ų109.568%0.67868%0.677SS**PPolyproline II helixtrans-69.1141.516300000108.6V488V488-A490 PolarHBondContact O-N 3.1Å
491P64.3Low47.4Very low110 Ų110111.9 Ų111.971%0.71468%0.684SS**PPolyproline II helixtrans-59.8135.2179.824.8-34000110.1
492P62.2Low46.8Very low81 Ų81111.5 Ų111.553%0.52669%0.686SS.*PPolyproline II helixtrans-63.7149.9-179.326.7-34.5000110.9P520P492-P520 HydrophobicContact CG-CG 4.48Å
493P58.1Low46.7Very low76 Ų76110.3 Ų110.349%0.49467%0.67SS.*PPolyproline II helixtrans-62.5143.916829-33.7000109.8V496P493-V496 HydrophobicContact CG-CG2 4.1Å
494A50.2Low46.3Very low70 Ų70109.3 Ų109.358%0.57967%0.673SS**SBendtrans-62.1155.9168.700000110.7
495D42.4Very low46.3Very low158 Ų158104.7 Ų104.785%0.84565%0.651SS**  trans63.965.6176.8-50.6-23.4000115.3
496V40.7Very low46.3Very low90 Ų90103.4 Ų103.455%0.54564%0.644SS.*  trans-130.1121166.8-166.90000111P493 V498P493-V496 HydrophobicContact CG-CG2 4.1Å; V496-V498 HydrophobicContact CG1-CG2 3.84Å
497S40.9Very low46.2Very low120 Ų120101.3 Ų101.384%0.83963%0.633SS**  trans-106.7122.8171.145.80000110.6
498V39.4Very low46.2Very low104 Ų10499.3 Ų99.363%0.6362%0.62SS**  trans-122.6139.1-176.8-1740000109.1V496V496-V498 HydrophobicContact CG1-CG2 3.84Å
499I38Very low45.8Very low151 Ų15198.4 Ų98.477%0.77462%0.62SS**  trans-124.1127.7171.8-56.8171.3000105.4
500A37.6Very low45.5Very low90 Ų9098.5 Ų98.574%0.74461%0.613SS**  trans-145.8124.5-175.900000110.7
501D41.7Very low44.6Very low148 Ų148104 Ų10479%0.79163%0.625SS**  trans-105.2125.4-176.4-60.6-42.8000111.6
502S35.8Very low43.6Very low86 Ų86103.3 Ų103.360%0.60162%0.618SS**  trans63.5102.3143-67.20000122.6
503I41.4Very low42.7Very low82 Ų82106.1 Ų106.142%0.42163%0.634SS.*  trans56.5160.6138.613.8169000121S475 E505 P531S475-I503 WeakPolarHBondContact CB-O 3.28Å; S475-I503 PolarHBondContact OG-O 2.97Å; I503-E505 HydrophobicContact CG2-CG 4Å; I503-P531 HydrophobicContact CD1-CG 3.49Å; I503-P531 VanDerWaalsContact CD1-CG 3.49Å
504P39.6Very low42.1Very low87 Ų87107.1 Ų107.157%0.56564%0.639SS**  -129.2-169.155.343.3-26.8000115.4
505E41.2Very low42.3Very low105 Ų105109.9 Ų109.949%0.49165%0.648SS.*  trans-119.9114-155.9-31.6159.8128.300113I503 T533I503-E505 HydrophobicContact CG2-CG 4Å; E505-T533 HydrophobicContact CB-CG2 4.29Å; E505-T533 VanDerWaalsContact CD-OG1 3.27Å; E505-T533 HydrophobicContact CG-CG2 4.27Å; E505-T533 VanDerWaalsContact CG-OG1 3.3Å; E505-T533 WeakPolarHBondContact CG-OG1 3.22Å; E505-T533 VanDerWaalsContact OE1-CG2 3.24Å; E505-T533 WeakPolarHBondContact OE1-CG2 3.5Å; E505-T533 PolarHBondContact OE1-OG1 2.81Å
506T43.8Very low42.8Very low75 Ų75106 Ų10646%0.4663%0.632SS.*  trans-145.1143.2149.958.40000111.7E478E478-T506 VanDerWaalsContact CG-OG1 3.3Å; E478-T506 WeakPolarHBondContact CG-OG1 3.27Å; E478-T506 WeakPolarHBondContact OE1-CB 3.19Å; E478-T506 WeakPolarHBondContact OE1-CG2 3.33Å; E478-T506 PolarHBondContact OE1-N 2.94Å; E478-T506 PolarHBondContact OE1-OG1 3.45Å
507P41Very low43.7Very low95 Ų95104.2 Ų104.262%0.61763%0.626SS**  trans-82.6128.8176.432.9-34.8000111.6V535P507-V535 HydrophobicContact CB-CB 4.45Å; P507-V535 HydrophobicContact CB-CG1 3.53Å; P507-V535 HydrophobicContact CB-CG2 4.08Å
508V46.8Very low44.8Very low57 Ų57103.8 Ų103.835%0.34562%0.621SS.*  trans-135.198.2175.7-173.60000109.6P480 E510P480-V508 HydrophobicContact CB-CG1 3.8Å; P480-V508 HydrophobicContact CB-CG2 4.24Å; V508-E510 HydrophobicContact CG1-CG 4.24Å; V508-E510 PolarHBondContact O-N 3.09Å; V508-E510 VanDerWaalsContact O-N 3.11Å
509S43Very low45.8Very low116 Ų116102.5 Ų102.581%0.81161%0.614SS**  trans-68.6104.6-177.359.20000112.4
510E46.2Very low46.7Very low85 Ų8597.8 Ų97.840%0.39759%0.594SS.*  trans-129131.6171.5-61.5-161.2150.800111.4S482 V508 V512S482-E510 WeakPolarHBondContact CA-OE1 3.21Å; V508-E510 HydrophobicContact CG1-CG 4.24Å; V508-E510 PolarHBondContact O-N 3.09Å; V508-E510 VanDerWaalsContact O-N 3.11Å; E510-V512 HydrophobicContact CB-CG2 3.8Å; E510-V512 PolarHBondContact O-N 2.82Å
511E42.1Very low47.3Very low198 Ų19897.2 Ų97.293%0.92559%0.589SS**  trans-74.870.7177-70-176.3155.100111.6T513E511-T513 PolarHBondContact O-N 2.81Å
512V42.9Very low47.3Very low95 Ų9597.8 Ų97.858%0.57659%0.592SS**  trans-82.984.7-174.6-178.40000111.5E510 T514E510-V512 HydrophobicContact CB-CG2 3.8Å; E510-V512 PolarHBondContact O-N 2.82Å; V512-T514 VanDerWaalsContact C-N 3.33Å; V512-T514 HydrophobicContact CG1-CG2 3.78Å; V512-T514 PolarHBondContact O-N 2.83Å
513T44.3Very low47.5Very low140 Ų14097.4 Ų97.486%0.85959%0.586SS**  trans-70.983.6175.6-48.20000111.3E511E511-T513 PolarHBondContact O-N 2.81Å
514T45.7Very low47.4Very low97 Ų9799.3 Ų99.360%0.59561%0.606SS**  trans-93.7132.5175.839.50000112V512 P516V512-T514 VanDerWaalsContact C-N 3.33Å; V512-T514 HydrophobicContact CG1-CG2 3.78Å; V512-T514 PolarHBondContact O-N 2.83Å; T514-P516 WeakPolarHBondContact O-CD 3.32Å
515V53.1Low47.4Very low128 Ų128100 Ų10078%0.77661%0.608SS**  trans-97.7106.9167-179.40000107.3A517V515-A517 PolarHBondContact O-N 3.34Å
516P53.1Low47.2Very low78 Ų78102.2 Ų102.251%0.50662%0.622SS.*PPolyproline II helixtrans-64.1131.8179.925-32.9000110.5T514 A544T514-P516 WeakPolarHBondContact O-CD 3.32Å; P516-A544 HydrophobicContact CG-CB 4.4Å
517A59.9Low46.9Very low52 Ų52102.8 Ų102.843%0.4363%0.634SS.*PPolyproline II helixtrans-66.6143.116800000109.2V515V515-A517 PolarHBondContact O-N 3.34Å
518P63.9Low46.8Very low111 Ų111106 Ų10672%0.72165%0.646SS**PPolyproline II helixtrans-59.7133.4-18024.7-34000110.1
519P61.1Low46.2Very low76 Ų76107.1 Ų107.149%0.49466%0.657SS.*PPolyproline II helixtrans-63.5148.4-179.126.4-34.5000110.9P547P519-P547 HydrophobicContact CG-CG 4.21Å
520P57Low45.9Very low53 Ų53106.8 Ų106.834%0.34465%0.645SS.*PPolyproline II helixtrans-62.3142.817028.3-33.5000109.9P492 V523P492-P520 HydrophobicContact CG-CG 4.48Å; P520-V523 HydrophobicContact CG-CG2 4.04Å
521A50.5Low45.5Very low77 Ų77105.3 Ų105.364%0.63664%0.643SS**SBendtrans-62.8155.8169.500000110.8
522D41.3Very low45.4Very low160 Ų160101 Ų10186%0.85662%0.622SS**  trans63.561.2177.8-53.9-25.4000115.6
523V39.7Very low45.3Very low79 Ų7999.9 Ų99.948%0.47962%0.616SS.*  trans-121.4128.6166.6-165.80000110.8P520 V525P520-V523 HydrophobicContact CG-CG2 4.04Å; V523-V525 HydrophobicContact CG1-CG2 3.81Å
524S40Very low45Very low122 Ų12297.5 Ų97.585%0.85360%0.603SS**  trans-118.4117.9172.933.70000109.3
525V39.1Very low45Very low100 Ų10095.5 Ų95.561%0.60659%0.591SS**  trans-118.8139.9-177.4-173.80000108.8V523V523-V525 HydrophobicContact CG1-CG2 3.81Å
526I36Very low44.5Very low153 Ų15394.7 Ų94.779%0.78559%0.591SS**  trans-125.5125.7170.1-57.6171.5000105.2
527A37.8Very low44.1Very low86 Ų8695.2 Ų95.271%0.71159%0.586SS**  trans-141.7132.7-18000000109.4
528D40.3Very low43.2Very low163 Ų163102.2 Ų102.287%0.87261%0.61SS**  trans-89.8151.8177.5-61.4-50.2000110.5
529S33.5Very low42.2Very low81 Ų81101.1 Ų101.157%0.56660%0.601SS**  trans-90178.8-162.1-51.70000116.6
530I36.6Very low41.4Very low108 Ų108104 Ų10455%0.55462%0.617SS**  trans87.4144.2164.4-51.5153.7000114.7P558I530-P558 HydrophobicContact CD1-CG 3.64Å; I530-P558 HydrophobicContact CG1-CG 3.63Å
531P37.6Very low40.7Very low54 Ų54106.1 Ų106.135%0.35163%0.63SS.*  cis-128.3148.82.721.12.9000118.6I503I503-P531 HydrophobicContact CD1-CG 3.49Å; I503-P531 VanDerWaalsContact CD1-CG 3.49Å
532E40.2Very low40.8Very low107 Ų107108.3 Ų108.350%0.564%0.635SS.*  37.385.5117.2-35.5-168.8153.800122.1T560E532-T560 HydrophobicContact CG-CG2 4.4Å; E532-T560 WeakPolarHBondContact CG-OG1 3.29Å; E532-T560 WeakPolarHBondContact OE1-CG2 3.47Å; E532-T560 PolarHBondContact OE1-OG1 3.26Å
533T41.3Very low41.3Very low72 Ų72104.1 Ų104.144%0.44262%0.617SS.*  trans-149.7133.9144-1.60000111.5E505E505-T533 HydrophobicContact CB-CG2 4.29Å; E505-T533 VanDerWaalsContact CD-OG1 3.27Å; E505-T533 HydrophobicContact CG-CG2 4.27Å; E505-T533 VanDerWaalsContact CG-OG1 3.3Å; E505-T533 WeakPolarHBondContact CG-OG1 3.22Å; E505-T533 VanDerWaalsContact OE1-CG2 3.24Å; E505-T533 WeakPolarHBondContact OE1-CG2 3.5Å; E505-T533 PolarHBondContact OE1-OG1 2.81Å
534P38.7Very low42.2Very low91 Ų91102.7 Ų102.759%0.59161%0.613SS**  trans-82.3127.7-178.832.7-35.7000112.1V562P534-V562 HydrophobicContact CB-CB 4.47Å; P534-V562 HydrophobicContact CB-CG1 3.49Å; P534-V562 VanDerWaalsContact CB-CG1 3.49Å; P534-V562 HydrophobicContact CB-CG2 4.1Å
535V43.8Very low43.4Very low55 Ų55102.3 Ų102.333%0.33361%0.607SS.*  trans-138.2101.4176.4-174.40000109.7P507 E537P507-V535 HydrophobicContact CB-CB 4.45Å; P507-V535 HydrophobicContact CB-CG1 3.53Å; P507-V535 HydrophobicContact CB-CG2 4.08Å; V535-E537 HydrophobicContact CG1-CG 3.91Å; V535-E537 PolarHBondContact O-N 2.82Å
536S43.1Very low44.5Very low111 Ų111101.2 Ų101.278%0.77660%0.603SS**  trans-68.3102.2-179.159.50000111.8
537E44.4Very low45.4Very low88 Ų8896.7 Ų96.741%0.41158%0.583SS.*  trans-123.5127.3174.9-58-161154.200111.2V535 V539V535-E537 HydrophobicContact CG1-CG 3.91Å; V535-E537 PolarHBondContact O-N 2.82Å; E537-V539 HydrophobicContact CB-CG2 3.54Å; E537-V539 PolarHBondContact O-N 3.48Å
538E42.1Very low45.9Very low199 Ų19996.5 Ų96.593%0.9358%0.582SS**  trans-75.562.4173.8-70.1-173.8151.600111.3T540E538-T540 PolarHBondContact O-N 3.49Å
539V41.7Very low45.8Very low88 Ų8896.3 Ų96.353%0.53358%0.581SS.*  trans-75.988-175.2-173.70000111.2E537 T541E537-V539 HydrophobicContact CB-CG2 3.54Å; E537-V539 PolarHBondContact O-N 3.48Å; V539-T541 HydrophobicContact CG1-CG2 3.77Å; V539-T541 PolarHBondContact O-N 3.41Å; V539-T541 PolarHBondContact O-OG1 2.82Å
540T44.1Very low46Very low136 Ų13696.7 Ų96.783%0.83458%0.579SS**  trans-72.174.5174.6-51.30000111E538E538-T540 PolarHBondContact O-N 3.49Å
541T43.5Very low46.1Very low98 Ų9897.3 Ų97.360%0.60159%0.593SS**  trans-83.3134.1174.434.10000111.3V539V539-T541 HydrophobicContact CG1-CG2 3.77Å; V539-T541 PolarHBondContact O-N 3.41Å; V539-T541 PolarHBondContact O-OG1 2.82Å
542V52.8Low46.1Very low124 Ų12499.6 Ų99.675%0.75261%0.606SS**  trans-101.7109.9166.2179.70000107.3A544V542-A544 PolarHBondContact O-N 2.79Å
543P52.1Low45.9Very low72 Ų72102 Ų10247%0.46862%0.621SS.*PPolyproline II helixtrans-60.6128.6179.7-24.434.6000111.4A571P543-A571 HydrophobicContact CB-CB 4.37Å
544A58.7Low45.7Very low48 Ų48102.7 Ų102.740%0.39763%0.633SS.*PPolyproline II helixtrans-66.6140.1163.400000108.7P516 V542P516-A544 HydrophobicContact CG-CB 4.4Å; V542-A544 PolarHBondContact O-N 2.79Å
545P63.5Low45.7Very low114 Ų114105.8 Ų105.874%0.7465%0.645SS**PPolyproline II helixtrans-60.3130.8-179.424.6-33.7000110
546P62.2Low45.3Very low78 Ų78106.9 Ų106.951%0.50666%0.655SS.*PPolyproline II helixtrans-64.1148.3-177.425.9-34.2000111.2P574P546-P574 HydrophobicContact CG-CG 4.05Å
547P55.6Low45Very low57 Ų57106 Ų10637%0.3764%0.64SS.*PPolyproline II helixtrans-64144.4173.329.1-34.8000110.5P519 V550P519-P547 HydrophobicContact CG-CG 4.21Å; P547-V550 HydrophobicContact CG-CG2 4.18Å
548A47.6Very low44.6Very low83 Ų83104.4 Ų104.469%0.68664%0.638SS**SBendtrans-64.2155.6171.400000111.3
549D39.7Very low44.5Very low159 Ų15999.2 Ų99.285%0.8561%0.614SS**  trans62.165.4176.7-57-26.1000115.9
550V37.7Very low44.5Very low88 Ų8898.6 Ų98.653%0.53361%0.61SS.*  trans-127.7122.5167.6-166.80000111.2P547 V552P547-V550 HydrophobicContact CG-CG2 4.18Å; V550-V552 HydrophobicContact CG1-CG2 3.89Å
551S38.1Very low44.3Very low121 Ų12196.5 Ų96.585%0.84660%0.599SS**  trans-116.2112.7174.7640000111.1
552V37.5Very low44.4Very low102 Ų10294.6 Ų94.662%0.61859%0.587SS**  trans-113.9145.6-178.6-172.90000109.9V550V550-V552 HydrophobicContact CG1-CG2 3.89Å
553I35.2Very low43.9Very low159 Ų15994.1 Ų94.182%0.81559%0.589SS**  trans-128.5128.2171.4-57.3171.9000106.1
554A37.1Very low43.5Very low85 Ų8594.4 Ų94.470%0.70258%0.584SS**  trans-142.5137.6178.700000110
555D39.1Very low42.7Very low156 Ų156101.5 Ų101.583%0.83461%0.609SS**  trans-92.3155.1175.8-62.3-47.1000110.3
556S34.9Very low41.7Very low78 Ų78100.7 Ų100.755%0.54560%0.602SS.*  trans-100.7177.3-154.1-47.80000117.2
557I37.2Very low40.8Very low92 Ų92103.5 Ų103.547%0.47262%0.618SS.*  trans83140.5158.2-52.2131.7000114P585I557-P585 HydrophobicContact CD1-CG 4.28Å
558P37.2Very low40.3Very low55 Ų55105.2 Ų105.236%0.35763%0.627SS.*  cis-134.8139.526.535.3-14.2000119.7I530I530-P558 HydrophobicContact CD1-CG 3.64Å; I530-P558 HydrophobicContact CG1-CG 3.63Å
559E39.3Very low40.5Very low91 Ų91107.2 Ų107.243%0.42563%0.631SS.*  28.294.8119-44-171.213800121.7E586 T587E559-E586 PolarHBondContact OE1-N 3.25Å; E559-T587 HydrophobicContact CG-CG2 4.47Å; E559-T587 VanDerWaalsContact CG-OG1 3.24Å; E559-T587 WeakPolarHBondContact CG-OG1 3.37Å; E559-T587 WeakPolarHBondContact OE1-CB 3.38Å; E559-T587 WeakPolarHBondContact OE1-CG2 3.2Å; E559-T587 PolarHBondContact OE1-N 2.88Å; E559-T587 PolarHBondContact OE1-OG1 2.93Å
560T41.9Very low41.1Very low75 Ų75103.2 Ų103.246%0.4661%0.614SS.*  trans-148.5143.7140.812.20000111E532E532-T560 HydrophobicContact CG-CG2 4.4Å; E532-T560 WeakPolarHBondContact CG-OG1 3.29Å; E532-T560 WeakPolarHBondContact OE1-CG2 3.47Å; E532-T560 PolarHBondContact OE1-OG1 3.26Å
561P39.2Very low42.1Very low91 Ų91101.3 Ų101.359%0.59161%0.607SS**  trans-83.5130.1-177.832.6-34.4000112.6V589P561-V589 HydrophobicContact CB-CB 4.34Å; P561-V589 HydrophobicContact CB-CG1 3.48Å; P561-V589 VanDerWaalsContact CB-CG1 3.48Å; P561-V589 HydrophobicContact CB-CG2 3.91Å
562V45.4Very low43.3Very low59 Ų59100.8 Ų100.836%0.35860%0.6SS.*  trans-137.5109.1173.5-174.20000110P534 E564P534-V562 HydrophobicContact CB-CB 4.47Å; P534-V562 HydrophobicContact CB-CG1 3.49Å; P534-V562 VanDerWaalsContact CB-CG1 3.49Å; P534-V562 HydrophobicContact CB-CG2 4.1Å; V562-E564 HydrophobicContact CG1-CG 3.79Å; V562-E564 PolarHBondContact O-N 3.26Å
563S43Very low44.5Very low114 Ų11499.9 Ų99.980%0.79760%0.597SS**  trans-75.6103.8-179.358.20000112
564E43.7Very low45.4Very low78 Ų7895.1 Ų95.136%0.36458%0.576SS.*  trans-128.4132.2175.2-52-153.6144.500112V562 V566V562-E564 HydrophobicContact CG1-CG 3.79Å; V562-E564 PolarHBondContact O-N 3.26Å; E564-V566 HydrophobicContact CB-CG2 3.77Å; E564-V566 PolarHBondContact O-N 2.76Å
565E42.1Very low45.9Very low197 Ų19794.9 Ų94.992%0.92158%0.575SS**  trans-77.864.8177.2-69.8-174.7146.900111.5T567E565-T567 PolarHBondContact O-N 2.91Å
566V41.7Very low45.8Very low96 Ų9695 Ų9558%0.58258%0.575SS**  trans-74.288-173.9-178.10000111.8E564 T568E564-V566 HydrophobicContact CB-CG2 3.77Å; E564-V566 PolarHBondContact O-N 2.76Å; V566-T568 VanDerWaalsContact C-N 3.28Å; V566-T568 HydrophobicContact CG1-CG2 3.7Å; V566-T568 PolarHBondContact O-N 3.4Å
567T43.7Very low45.9Very low137 Ų13795.5 Ų95.584%0.8457%0.574SS**  trans-75.176.4175.9-53.80000111.1E565E565-T567 PolarHBondContact O-N 2.91Å
568T44.4Very low46Very low94 Ų9496.7 Ų96.758%0.57759%0.591SS**  trans-86.913917539.40000112.1V566V566-T568 VanDerWaalsContact C-N 3.28Å; V566-T568 HydrophobicContact CG1-CG2 3.7Å; V566-T568 PolarHBondContact O-N 3.4Å
569V53Low46Very low124 Ų12499.2 Ų99.275%0.75261%0.605SS**  trans-105.7108167.1179.60000107.6A571V569-A571 PolarHBondContact O-N 3.08Å
570P52.1Low45.8Very low76 Ų76102.4 Ų102.449%0.49462%0.623SS.*PPolyproline II helixtrans-60.8128-178.9-25.235000111.9A598P570-A598 HydrophobicContact CB-CB 4.45Å
571A58.2Low45.5Very low48 Ų48103.3 Ų103.340%0.39764%0.639SS.*PPolyproline II helixtrans-67.714016400000108.9P543 V569P543-A571 HydrophobicContact CB-CB 4.37Å; V569-A571 PolarHBondContact O-N 3.08Å
572P63.5Low45.5Very low109 Ų109106 Ų10671%0.70865%0.648SS**PPolyproline II helixtrans-61.5130.8-179.225.1-33.9000110.2
573P61.8Low45Very low83 Ų83107.2 Ų107.254%0.53966%0.659SS.*PPolyproline II helixtrans-67.5151.4-176.726.6-32.8000111.3P601P573-P601 HydrophobicContact CG-CG 3.96Å
574P54.6Low44.9Very low59 Ų59106.3 Ų106.338%0.38365%0.645SS.*PPolyproline II helixtrans-65.5148.1174.431.1-37.1000110.8P546 V577P546-P574 HydrophobicContact CG-CG 4.05Å; P574-V577 HydrophobicContact CG-CG2 4.22Å
575A47.2Very low44.6Very low81 Ų81105.8 Ų105.867%0.66965%0.648SS**SBendtrans-65.2154.7170.100000111.5
576D38.5Very low44.4Very low158 Ų158102 Ų10285%0.84563%0.631SS**  trans61.767.6174.4-58.4-27.8000116.2
577V37.2Very low44.4Very low88 Ų88101.4 Ų101.453%0.53363%0.627SS.*  trans-131.3131.8166.3-167.80000111.3P574 V579P574-V577 HydrophobicContact CG-CG2 4.22Å; V577-V579 HydrophobicContact CG1-CG2 4.01Å
578S37.7Very low44.2Very low118 Ų11899.2 Ų99.283%0.82562%0.615SS**  trans-126.2119.7177.363.30000111.2
579V37.6Very low44.2Very low107 Ų10797.2 Ų97.265%0.64860%0.602SS**  trans-127.2147.5-176.3-173.60000110.1V577V577-V579 HydrophobicContact CG1-CG2 4.01Å
580I34.5Very low43.7Very low158 Ų15896.5 Ų96.581%0.8160%0.603SS**  trans-135.8128.9176.9-55.9173.2000107.2
581A37Very low43.4Very low95 Ų9596.8 Ų96.879%0.78560%0.598SS**  trans-152.6146.7179.100000111.5
582D38.8Very low42.6Very low146 Ų146103.8 Ų103.878%0.78162%0.622SS**  trans-116.3129.3-171-67-51.3000113.6
583S34.5Very low41.6Very low85 Ų85102.7 Ų102.759%0.59461%0.613SS**  trans62100.6147.8-55.60000123.1
584I40.5Very low40.7Very low96 Ų96105.2 Ų105.249%0.49263%0.628SS.*  45.3124.6104.4-59.7165.3000118
585P37.7Very low40.2Very low67 Ų67106.8 Ų106.844%0.43564%0.636SS.*  -151.4-167.47642.2-22.7000115.6I557I557-P585 HydrophobicContact CD1-CG 4.28Å
586E39.3Very low40.5Very low118 Ų118108.8 Ų108.855%0.55164%0.64SS**  cis-163.277.6-40.7-93.2176.8-164.500108.8E559 T614E559-E586 PolarHBondContact OE1-N 3.25Å; E586-T614 HydrophobicContact CG-CG2 3.99Å
587T39.8Very low41.1Very low82 Ų82104.8 Ų104.850%0.50362%0.623SS.*  trans-141.1137.4169.432.60000114E559E559-T587 HydrophobicContact CG-CG2 4.47Å; E559-T587 VanDerWaalsContact CG-OG1 3.24Å; E559-T587 WeakPolarHBondContact CG-OG1 3.37Å; E559-T587 WeakPolarHBondContact OE1-CB 3.38Å; E559-T587 WeakPolarHBondContact OE1-CG2 3.2Å; E559-T587 PolarHBondContact OE1-N 2.88Å; E559-T587 PolarHBondContact OE1-OG1 2.93Å
588P40.7Very low42.2Very low92 Ų92102.8 Ų102.860%0.59762%0.615SS**  trans-82.4130.917332-32.7000111.6V616P588-V616 HydrophobicContact CB-CB 4.48Å; P588-V616 HydrophobicContact CB-CG1 3.75Å; P588-V616 HydrophobicContact CB-CG2 3.93Å
589V45Very low43.4Very low51 Ų51102.2 Ų102.231%0.30961%0.609SS.*  trans-129.8115.1171.8-1740000108.1P561 E591P561-V589 HydrophobicContact CB-CB 4.34Å; P561-V589 HydrophobicContact CB-CG1 3.48Å; P561-V589 VanDerWaalsContact CB-CG1 3.48Å; P561-V589 HydrophobicContact CB-CG2 3.91Å; V589-E591 HydrophobicContact CG1-CG 3.88Å; V589-E591 PolarHBondContact O-N 2.84Å
590S42.3Very low44.5Very low110 Ų110101.2 Ų101.277%0.76960%0.604SS**  trans-81.6110.1-177.657.70000111.3
591E44.1Very low45.5Very low81 Ų8196.6 Ų96.638%0.37959%0.585SS.*  trans-128.8129.3-179.4-57.7-166.4164.600112.2V589 V593V589-E591 HydrophobicContact CG1-CG 3.88Å; V589-E591 PolarHBondContact O-N 2.84Å; E591-V593 HydrophobicContact CB-CG2 3.64Å; E591-V593 PolarHBondContact O-N 2.84Å
592E42.4Very low45.9Very low195 Ų19595.5 Ų95.591%0.91158%0.575SS**  trans-78.865174.8-70.9-174.5138.600111.1T594E592-T594 PolarHBondContact O-N 3.28Å
593V41.8Very low45.9Very low86 Ų8695.8 Ų95.852%0.52158%0.577SS.*  trans-74.691.9-173.8-1770000111.9E591 T595E591-V593 HydrophobicContact CB-CG2 3.64Å; E591-V593 PolarHBondContact O-N 2.84Å; V593-T595 VanDerWaalsContact C-N 3.32Å; V593-T595 HydrophobicContact CG1-CG2 3.71Å; V593-T595 PolarHBondContact O-N 3.32Å
594T44.4Very low46Very low136 Ų13696 Ų9683%0.83457%0.574SS**  trans-78.776.3175-53.80000111.2E592E592-T594 PolarHBondContact O-N 3.28Å
595T44.2Very low45.8Very low93 Ų9396.8 Ų96.857%0.57159%0.589SS**  trans-84.5136.4176.335.60000112.6V593V593-T595 VanDerWaalsContact C-N 3.32Å; V593-T595 HydrophobicContact CG1-CG2 3.71Å; V593-T595 PolarHBondContact O-N 3.32Å
596V53.2Low45.8Very low122 Ų12298.7 Ų98.774%0.73960%0.599SS**  trans-106.3101.3166.2-178.90000107.5A598V596-A598 PolarHBondContact O-N 2.97Å
597P51.4Low45.5Very low75 Ų75100.9 Ų100.949%0.48761%0.613SS.*PPolyproline II helixtrans-66129.3-175.724.7-32.7000111.2A625P597-A625 HydrophobicContact CG-CB 4.06Å
598A58.7Low45.5Very low45 Ų45101.1 Ų101.137%0.37262%0.623SS.*PPolyproline II helixtrans-66.7144.6168.800000109.9P570 V596P570-A598 HydrophobicContact CB-CB 4.45Å; V596-A598 PolarHBondContact O-N 2.97Å
599P63.9Low45.4Very low106 Ų106104.7 Ų104.769%0.68864%0.637SS**PPolyproline II helixtrans-62.4130.1-178.725.4-34000110.6
600P61.4Low45Very low86 Ų86106 Ų10656%0.55865%0.649SS**PPolyproline II helixtrans-65.9146.1-178.325.9-33.6000111.3P628P600-P628 HydrophobicContact CG-CG 3.91Å
601P54.6Low44.9Very low61 Ų61104.5 Ų104.540%0.39663%0.631SS.*PPolyproline II helixtrans-68.8150.1173.230.1-34.2000111P573P573-P601 HydrophobicContact CG-CG 3.96Å
602A46.3Very low44.5Very low72 Ų72103.8 Ų103.860%0.59563%0.634SS**SBendtrans-66.2153.9175.200000112.3
603D36.9Very low44.4Very low153 Ų153100.4 Ų100.482%0.81862%0.618SS**  trans61.770171.7-57.7-25.8000116.7
604V36.8Very low44.3Very low88 Ų88100.2 Ų100.253%0.53362%0.617SS.*  trans-134.4136.3164.9-169.90000110.9V606V604-V606 HydrophobicContact CG1-CG2 4.08Å
605S36.5Very low44.2Very low114 Ų11498.8 Ų98.880%0.79761%0.61SS**  trans-129.6121.9178.1630000111.5
606V37.7Very low44.3Very low106 Ų10696.9 Ų96.964%0.64260%0.598SS**  trans-130.1148.6-175.9-175.50000110V604V604-V606 HydrophobicContact CG1-CG2 4.08Å
607I34.3Very low43.8Very low164 Ų16496.3 Ų96.384%0.84160%0.599SS**  trans-134.2131.1177.1-55.9173.2000107.5
608A38Very low43.4Very low87 Ų8796.4 Ų96.472%0.71959%0.593SS**  trans-149.4146.3177.200000111.2
609D39Very low42.6Very low168 Ų168103.1 Ų103.190%0.89862%0.617SS**  trans-98.2165.7179.4-67.2-57.9000112
610S36.5Very low41.6Very low79 Ų79102.1 Ų102.155%0.55261%0.609SS**  trans-114157-149.6-34.20000118.6I638S610-I638 PolarHBondContact OG-O 3.39Å
611I40.2Very low40.9Very low78 Ų78104.2 Ų104.240%0.462%0.62SS.*  trans76.9136.2143.7-69.8157000117.2E613 P639I611-E613 HydrophobicContact CG2-CG 4.03Å; I611-P639 HydrophobicContact CD1-CB 4.26Å; I611-P639 HydrophobicContact CD1-CG 3.63Å; I611-P639 WeakPolarHBondContact CD1-O 3.4Å
612P37.3Very low40.4Very low66 Ų66105.1 Ų105.143%0.42963%0.625SS.*  -118.9146.656.76.119.1000116.5
613E40Very low40.7Very low124 Ų124107.6 Ų107.658%0.57963%0.632SS**  76.268.471.8-67.1-172.6-133.700117.4I611 T641I611-E613 HydrophobicContact CG2-CG 4.03Å; E613-T641 HydrophobicContact CG-CG2 3.74Å
614T39Very low41.4Very low82 Ų82103.9 Ų103.950%0.50362%0.616SS.*  trans-143.9128.5148.250.60000111.3E586E586-T614 HydrophobicContact CG-CG2 3.99Å
615P42.2Very low42.5Very low106 Ų106101.9 Ų101.969%0.68861%0.609SS**  trans-80.5132178.431.5-33.9000112.2V643P615-V643 HydrophobicContact CB-CG1 4.16Å; P615-V643 HydrophobicContact CB-CG2 4.12Å
616V46.2Very low43.8Very low53 Ų53101.3 Ų101.332%0.32160%0.603SS.*  trans-116.3149.8169.7-168.20000107.4P588 E618P588-V616 HydrophobicContact CB-CB 4.48Å; P588-V616 HydrophobicContact CB-CG1 3.75Å; P588-V616 HydrophobicContact CB-CG2 3.93Å; V616-E618 HydrophobicContact CG1-CG 3.83Å
617S42.6Very low44.9Very low110 Ų110100.3 Ų100.377%0.76960%0.598SS**  trans-113106.9178.460.30000110
618E44Very low45.8Very low76 Ų7695.1 Ų95.136%0.35558%0.575SS.*  trans-127133.4-176-55.1-159140.700111.7V616 V620V616-E618 HydrophobicContact CG1-CG 3.83Å; E618-V620 VanDerWaalsContact C-N 3.28Å; E618-V620 HydrophobicContact CB-CG2 3.7Å; E618-V620 PolarHBondContact O-N 3.42Å; E618-V620 VanDerWaalsContact O-N 3.09Å
619E42.1Very low46.2Very low187 Ų18794.1 Ų94.187%0.87457%0.567SS**  trans-84.667.4174.5-72.3-175.2171.300110.4T621E619-T621 PolarHBondContact O-N 3.37Å; E619-T621 VanDerWaalsContact O-N 3.1Å
620V43.2Very low46.2Very low84 Ų8492.9 Ų92.951%0.50956%0.56SS.*  trans-75.899.2-174.1-178.50000112E618 T622E618-V620 VanDerWaalsContact C-N 3.28Å; E618-V620 HydrophobicContact CB-CG2 3.7Å; E618-V620 PolarHBondContact O-N 3.42Å; E618-V620 VanDerWaalsContact O-N 3.09Å; V620-T622 HydrophobicContact CG1-CG2 3.75Å; V620-T622 PolarHBondContact O-N 2.83Å; V620-T622 VanDerWaalsContact O-N 3.15Å
621T44.8Very low46.1Very low130 Ų13092.8 Ų92.880%0.79856%0.556SS**  trans-8677.7175.6-530000111.5E619E619-T621 PolarHBondContact O-N 3.37Å; E619-T621 VanDerWaalsContact O-N 3.1Å
622T45Very low45.9Very low81 Ų8194.4 Ų94.450%0.49757%0.574SS.*  trans-83.1140.9176.237.80000113.1V620V620-T622 HydrophobicContact CG1-CG2 3.75Å; V620-T622 PolarHBondContact O-N 2.83Å; V620-T622 VanDerWaalsContact O-N 3.15Å
623V52.8Low45.9Very low123 Ų12395.7 Ų95.775%0.74558%0.581SS**  trans-111.8101.6166.5-179.40000107.5A625V623-A625 PolarHBondContact O-N 2.9Å
624P51.5Low45.6Very low76 Ų7697.3 Ų97.349%0.49459%0.592SS.*PPolyproline II helixtrans-65.8129.9-174.924.8-33000111.4A652P624-A652 HydrophobicContact CG-CB 4.35Å
625A59.6Low45.6Very low45 Ų4597.5 Ų97.537%0.37260%0.602SS.*PPolyproline II helixtrans-68.6146.816900000110P597 V623P597-A625 HydrophobicContact CG-CB 4.06Å; V623-A625 PolarHBondContact O-N 2.9Å
626P63Low45.4Very low103 Ų103100.2 Ų100.267%0.66961%0.61SS**PPolyproline II helixtrans-63.3132.1-179.826-34.2000110.7
627P62Low44.9Very low84 Ų84102.1 Ų102.155%0.54563%0.626SS.*PPolyproline II helixtrans-65.3146.1-179.226.3-34.4000111.4P655P627-P655 HydrophobicContact CG-CG 4Å
628P53.8Low44.9Very low55 Ų55100.8 Ų100.836%0.35761%0.61SS.*PPolyproline II helixtrans-68.5149.6171.830.4-34.3000110.9P600P600-P628 HydrophobicContact CG-CG 3.91Å
629A46.4Very low44.5Very low67 Ų67100.7 Ų100.755%0.55462%0.615SS**SBendtrans-68.3152.9174.700000112.1
630D37Very low44.4Very low141 Ų14197.6 Ų97.675%0.75460%0.601SS**  trans61.271.7170.5-56.7-23.4000116.9
631V36.3Very low44.2Very low78 Ų7897.5 Ų97.547%0.47360%0.601SS.*  trans-136.3138.2164.4-169.90000110.8V633V631-V633 HydrophobicContact CG1-CG2 4.08Å
632S36.2Very low44.1Very low111 Ų11196 Ų9678%0.77659%0.593SS**  trans-130.9121.4177.862.30000111.6
633V37.2Very low44.2Very low94 Ų9494.7 Ų94.757%0.5759%0.585SS**  trans-130.7149-176.1-176.30000110V631V631-V633 HydrophobicContact CG1-CG2 4.08Å
634I33.9Very low43.7Very low158 Ų15894.1 Ų94.181%0.8159%0.586SS**  trans-130.2129.3176.9-56.1172.8000107.7
635A37.1Very low43.4Very low86 Ų8694.5 Ų94.571%0.71158%0.582SS**  trans-150.6140.4177.800000111.6
636D38.6Very low42.6Very low162 Ų162101.5 Ų101.587%0.86661%0.607SS**  trans-90.3163.1176.9-60-57000111.5
637S36.5Very low41.6Very low93 Ų9399.7 Ų99.765%0.6559%0.594SS**  trans-160.6176.2-172.7-79.90000113
638I41.1Very low40.8Very low83 Ų83101.9 Ų101.943%0.42661%0.605SS.*  cis-112-89.43.1-20.5175.8000111.6S610S610-I638 PolarHBondContact OG-O 3.39Å
639P36.7Very low40.4Very low73 Ų73103 Ų10347%0.47461%0.611SS.*  cis-57.3160.9-34.714.7-24.3000115.3I611I611-P639 HydrophobicContact CD1-CB 4.26Å; I611-P639 HydrophobicContact CD1-CG 3.63Å; I611-P639 WeakPolarHBondContact CD1-O 3.4Å
640E40.5Very low40.7Very low122 Ų122105.7 Ų105.757%0.5762%0.621SS**  80.369.757.8-54-175.1-132.100117.4T668E640-T668 HydrophobicContact CB-CG2 4.41Å; E640-T668 HydrophobicContact CG-CG2 3.53Å
641T38.6Very low41.4Very low83 Ų83102.6 Ų102.651%0.50961%0.608SS.*  trans-144.9134141.334.40000111.2E613E613-T641 HydrophobicContact CG-CG2 3.74Å
642P43Very low42.6Very low98 Ų98101.1 Ų101.164%0.63660%0.604SS**  trans-83.2129.1179.131.6-33.4000112.2V670P642-V670 HydrophobicContact CB-CG1 4.13Å; P642-V670 HydrophobicContact CB-CG2 4.16Å
643V45.6Very low43.9Very low54 Ų54100.8 Ų100.833%0.32760%0.599SS.*  trans-107.3152.1165.8-168.50000107.6P615 E645P615-V643 HydrophobicContact CB-CG1 4.16Å; P615-V643 HydrophobicContact CB-CG2 4.12Å; V643-E645 HydrophobicContact CG1-CG 3.95Å
644S42.8Very low45.1Very low110 Ų110100.2 Ų100.277%0.76960%0.598SS**  trans-113.2104.8176.761.30000110
645E44.8Very low46Very low84 Ų8495.4 Ų95.439%0.39358%0.577SS.*  trans-119.9135.8-177.9-60.6-171.8171.500111.2V643 V647V643-E645 HydrophobicContact CG1-CG 3.95Å; E645-V647 VanDerWaalsContact C-N 3.31Å; E645-V647 HydrophobicContact CB-CG2 3.63Å; E645-V647 PolarHBondContact O-N 3.03Å
646E43.1Very low46.4Very low192 Ų19294.7 Ų94.790%0.89757%0.571SS**  trans-87.567.7171.7-75.6-171.8170.800110.2T648E646-T648 PolarHBondContact O-N 3.2Å; E646-T648 VanDerWaalsContact O-N 3.13Å
647V43Very low46.4Very low66 Ų6693.5 Ų93.540%0.457%0.565SS.*  trans-74.9102.3-174.5-1770000111.9E645 T649E645-V647 VanDerWaalsContact C-N 3.31Å; E645-V647 HydrophobicContact CB-CG2 3.63Å; E645-V647 PolarHBondContact O-N 3.03Å; V647-T649 HydrophobicContact CG1-CG2 3.77Å; V647-T649 PolarHBondContact O-N 2.82Å
648T44.5Very low46.3Very low129 Ų12992.5 Ų92.579%0.79155%0.554SS**  trans-89.276.6175.3-52.90000111.4E646E646-T648 PolarHBondContact O-N 3.2Å; E646-T648 VanDerWaalsContact O-N 3.13Å
649T44.9Very low46Very low78 Ų7894.1 Ų94.148%0.47957%0.573SS.*  trans-80.6145.3175.9380000113.1V647V647-T649 HydrophobicContact CG1-CG2 3.77Å; V647-T649 PolarHBondContact O-N 2.82Å
650V54.2Low46.1Very low124 Ų12495.1 Ų95.175%0.75258%0.578SS**  trans-116.9104.3166.8179.70000107.5A652V650-A652 PolarHBondContact O-N 3.23Å
651P51.7Low45.7Very low76 Ų7696.9 Ų96.949%0.49459%0.589SS.*PPolyproline II helixtrans-60128.7-176.5-26.635.4000112.7
652A60.6Low45.7Very low47 Ų4796.6 Ų96.639%0.38860%0.595SS.*PPolyproline II helixtrans-69.2144.3164.400000109.5P624 V650P624-A652 HydrophobicContact CG-CB 4.35Å; V650-A652 PolarHBondContact O-N 3.23Å
653P63.2Low45.4Very low104 Ų104100 Ų10068%0.67561%0.608SS**PPolyproline II helixtrans-63.7132.7179.426.4-34000110.4
654P62.3Low44.9Very low83 Ų83102.3 Ų102.354%0.53963%0.626SS.*PPolyproline II helixtrans-65.9146.4-177.626.4-33.9000111.4P682P654-P682 HydrophobicContact CG-CG 3.98Å
655P53.8Low44.6Very low57 Ų57104 Ų10437%0.3763%0.626SS.*PPolyproline II helixtrans-66.8148.7171.829.9-34.3000110.8P627P627-P655 HydrophobicContact CG-CG 4Å
656A45.9Very low44.2Very low70 Ų70102.9 Ų102.958%0.57963%0.626SS**SBendtrans-70.2151.3174.600000111.8
657D37Very low44.1Very low138 Ų13898.9 Ų98.974%0.73861%0.607SS**  trans60.676.6171.6-55.8-25.4000116.6
658V34.8Very low43.8Very low72 Ų7299 Ų9944%0.43661%0.608SS.*  trans-137.5138.7164.5-170.50000110.4V660V658-V660 HydrophobicContact CG1-CG2 4.09Å
659S36.2Very low43.7Very low116 Ų11697.6 Ų97.681%0.81160%0.601SS**  trans-132.7120.9177.761.90000111.6
660V37.1Very low43.7Very low95 Ų9596.4 Ų96.458%0.57659%0.593SS**  trans-130.8147.7-176.1-176.90000109.9V658V658-V660 HydrophobicContact CG1-CG2 4.09Å
661I33.4Very low43.2Very low158 Ų15895.8 Ų95.881%0.8159%0.594SS**  trans-127.5128.1175.5-57.1171.2000107.4
662A36.9Very low42.8Very low77 Ų7796.1 Ų96.164%0.63659%0.589SS**  trans-148.3134178.400000111.5
663D37.8Very low42Very low171 Ų171103.3 Ų103.391%0.91462%0.615SS**  trans-77.5147.2175.3-65.1-59.9000111.1
664S34.3Very low41.1Very low101 Ų101101.3 Ų101.371%0.70660%0.601SS**  trans-127143.3-174.8-650000113.2
665I37.6Very low40.2Very low147 Ų147103.7 Ų103.775%0.75461%0.614SS**  trans166.1145.5165.4-99.5155.5000109.5
666P36.3Very low39.9Very low60 Ų60104.9 Ų104.939%0.3962%0.62SS.*  cis-137.3141.4-2038-19.1000117.1
667E39.8Very low40.2Very low108 Ų108107.5 Ų107.551%0.50563%0.629SS.*  52.997.8123-44.7176.7142.300122.5T695E667-T695 WeakPolarHBondContact CG-OG1 3.49Å; E667-T695 VanDerWaalsContact OE1-CB 3.28Å; E667-T695 WeakPolarHBondContact OE1-CB 3.39Å; E667-T695 WeakPolarHBondContact OE1-CG2 3.42Å; E667-T695 PolarHBondContact OE1-N 2.84Å; E667-T695 PolarHBondContact OE1-OG1 3.47Å
668T37.6Very low40.9Very low68 Ų68104.4 Ų104.442%0.41762%0.616SS.*  trans-140.7133.9138.143.40000111.9E640 V670E640-T668 HydrophobicContact CB-CG2 4.41Å; E640-T668 HydrophobicContact CG-CG2 3.53Å; T668-V670 PolarHBondContact O-N 3.1Å
669P42.7Very low42.2Very low100 Ų100103.3 Ų103.365%0.64961%0.614SS**  trans-76.2122.8178.529.9-33.9000112.2V697P669-V697 HydrophobicContact CB-CG1 3.96Å; P669-V697 HydrophobicContact CB-CG2 4.11Å
670V45.6Very low43.5Very low52 Ų52102.7 Ų102.732%0.31561%0.608SS.*  trans-97.6157.8161.3-167.80000107.5P642 T668 E672P642-V670 HydrophobicContact CB-CG1 4.13Å; P642-V670 HydrophobicContact CB-CG2 4.16Å; T668-V670 PolarHBondContact O-N 3.1Å; V670-E672 HydrophobicContact CG1-CG 3.95Å
671S42.7Very low44.7Very low111 Ų111102.2 Ų102.278%0.77661%0.607SS**  trans-119.4103.6175.562.20000109.9
672E44.4Very low45.7Very low84 Ų8497.6 Ų97.639%0.39359%0.587SS.*  trans-118.5137-177.7-60.1-172175.400111.3V670 V674V670-E672 HydrophobicContact CG1-CG 3.95Å; E672-V674 VanDerWaalsContact C-N 3.32Å; E672-V674 HydrophobicContact CB-CG2 3.54Å; E672-V674 PolarHBondContact O-N 2.85Å
673E42.7Very low46Very low197 Ų19797.4 Ų97.492%0.92159%0.586SS**  trans-8964172.3-75.2-172.3-172.400110.4T675E673-T675 PolarHBondContact O-N 3.4Å; E673-T675 VanDerWaalsContact O-N 3.11Å
674V43.8Very low46Very low62 Ų6295.9 Ų95.938%0.37658%0.577SS.*  trans-76102-173.2-160.60000112.1E672 T676E672-V674 VanDerWaalsContact C-N 3.32Å; E672-V674 HydrophobicContact CB-CG2 3.54Å; E672-V674 PolarHBondContact O-N 2.85Å; V674-T676 HydrophobicContact CG1-CG2 3.66Å; V674-T676 PolarHBondContact O-N 2.8Å; V674-T676 VanDerWaalsContact O-N 3.08Å
675T44.9Very low46Very low133 Ų13394.7 Ų94.782%0.81657%0.566SS**  trans-84.476.3176.5-53.40000111.4E673E673-T675 PolarHBondContact O-N 3.4Å; E673-T675 VanDerWaalsContact O-N 3.11Å
676T45.8Very low46Very low83 Ų8393.2 Ų93.251%0.50957%0.569SS.*  trans-76.5148177.362.30000113V674V674-T676 HydrophobicContact CG1-CG2 3.66Å; V674-T676 PolarHBondContact O-N 2.8Å; V674-T676 VanDerWaalsContact O-N 3.08Å
677V53.9Low46Very low124 Ų12495.4 Ų95.475%0.75258%0.581SS**  trans-122.2102.9166.81800000107.7A679V677-A679 PolarHBondContact O-N 2.82Å
678P51.6Low45.7Very low74 Ų7498 Ų9848%0.48160%0.596SS.*PPolyproline II helixtrans-59.7128.6-176.2-27.135.7000112.9
679A61.8Low45.7Very low48 Ų4898.5 Ų98.540%0.39761%0.607SS.*PPolyproline II helixtrans-69.2144.8163.900000109.4V677V677-A679 PolarHBondContact O-N 2.82Å
680P63Low45.5Very low103 Ų103101.6 Ų101.667%0.66962%0.618SS**PPolyproline II helixtrans-63.7133.717926.7-34.1000110.4
681P62Low45.3Very low86 Ų86103.9 Ų103.956%0.55864%0.637SS**PPolyproline II helixtrans-65.4145.9-178.126.7-34.1000111.2P709P681-P709 HydrophobicContact CG-CG 4.16Å
682P53.8Low45Very low60 Ų60105.8 Ų105.839%0.3964%0.636SS.*PPolyproline II helixtrans-65.4148.4170.429.3-33.5000110.7P654P654-P682 HydrophobicContact CG-CG 3.98Å
683A45Very low44.7Very low74 Ų74105.3 Ų105.361%0.61264%0.64SS**SBendtrans-70.7151.5174.900000111.5
684D36.5Very low44.5Very low138 Ų13899.8 Ų99.874%0.73862%0.615SS**  trans60.576.7172.2-55.2-26000116.2
685V34.7Very low44.2Very low77 Ų77100.5 Ų100.547%0.46762%0.619SS.*  trans-135.7136.6163.7-169.90000110.1V687V685-V687 HydrophobicContact CG1-CG2 4.02Å
686S37.1Very low44.1Very low116 Ų11698 Ų9881%0.81161%0.606SS**  trans-127.4119.9177.760.90000111.2
687V36.8Very low44.1Very low106 Ų10696.9 Ų96.964%0.64260%0.598SS**  trans-125.6146.4-175.3-1750000110V685V685-V687 HydrophobicContact CG1-CG2 4.02Å
688I33.9Very low43.5Very low162 Ų16296.3 Ų96.383%0.83160%0.6SS**  trans-128.5127.7173.9-57.3172.1000106.8
689A37.7Very low43.2Very low78 Ų7896.7 Ų96.765%0.64560%0.595SS**  trans-146.8133179.900000111.4
690D37.9Very low42.3Very low166 Ų166103.7 Ų103.789%0.88862%0.62SS**  trans-77.8141.8175.1-64.3-56.9000110.7
691S40.7Very low41.3Very low100 Ų100101.8 Ų101.870%0.69961%0.606SS**  trans-119.2137.8-176.9-64.60000113.7
692I37Very low40.5Very low151 Ų151104 Ų10477%0.77462%0.618SS**  trans-142.9142.4172.9-70.2-172.2000108.3
693P37.2Very low40.1Very low73 Ų73104.9 Ų104.947%0.47462%0.622SS.*  trans-118.9149.9-135.141.1-33.2000118.6T722P693-T722 HydrophobicContact CB-CG2 4.29Å; P693-T722 HydrophobicContact CG-CG2 4.31Å
694E39.9Very low40.5Very low81 Ų81107.2 Ų107.238%0.37963%0.629SS.*  trans53.5125.9131.2-61.2173.4-12700124.4T722E694-T722 HydrophobicContact CB-CG2 4.15Å; E694-T722 HydrophobicContact CG-CG2 4.5Å; E694-T722 PolarHBondContact OE1-N 3.3Å; E694-T722 VanDerWaalsContact OE2-C 3.24Å; E694-T722 WeakPolarHBondContact OE2-CA 3.36Å; E694-T722 WeakPolarHBondContact OE2-CB 3.34Å; E694-T722 PolarHBondContact OE2-N 3.39Å; E694-T722 PolarHBondContact OE2-OG1 2.88Å
695T36.9Very low41.2Very low77 Ų77104.2 Ų104.247%0.47262%0.617SS.*  trans-121.3150.2130.1240000111.2E667E667-T695 WeakPolarHBondContact CG-OG1 3.49Å; E667-T695 VanDerWaalsContact OE1-CB 3.28Å; E667-T695 WeakPolarHBondContact OE1-CB 3.39Å; E667-T695 WeakPolarHBondContact OE1-CG2 3.42Å; E667-T695 PolarHBondContact OE1-N 2.84Å; E667-T695 PolarHBondContact OE1-OG1 3.47Å
696P43.5Very low42.6Very low82 Ų82103 Ų10353%0.53262%0.615SS.*  trans-76.8124.5175.330.2-34.3000112.2V724P696-V724 HydrophobicContact CB-CB 4.39Å; P696-V724 HydrophobicContact CB-CG1 3.87Å; P696-V724 HydrophobicContact CB-CG2 4.16Å
697V45.4Very low43.9Very low58 Ų58102.4 Ų102.435%0.35261%0.608SS.*  trans-95.7154.5160.2-169.10000107.7P669 E699P669-V697 HydrophobicContact CB-CG1 3.96Å; P669-V697 HydrophobicContact CB-CG2 4.11Å; V697-E699 HydrophobicContact CG1-CG 4.04Å
698S42.2Very low45.1Very low112 Ų112101.4 Ų101.478%0.78360%0.604SS**  trans-117.4102.9177.562.90000110.5
699E44.2Very low46.1Very low82 Ų8296.5 Ų96.538%0.38358%0.583SS.*  trans-118.3139.3-179.4-60-169165.500111.6V697 V701V697-E699 HydrophobicContact CG1-CG 4.04Å; E699-V701 VanDerWaalsContact C-N 3.33Å; E699-V701 HydrophobicContact CB-CG2 3.58Å; E699-V701 PolarHBondContact O-N 3Å
700E42.1Very low46.4Very low196 Ų19696.4 Ų96.492%0.91658%0.582SS**  trans-88.764.8172.5-75.3-170.5173.300110.7T702E700-T702 PolarHBondContact O-N 2.87Å; E700-T702 VanDerWaalsContact O-N 3.11Å
701V43.6Very low46.4Very low62 Ų6295.4 Ų95.438%0.37658%0.576SS.*  trans-76.6101.4-173.6-161.30000112.2E699 T703E699-V701 VanDerWaalsContact C-N 3.33Å; E699-V701 HydrophobicContact CB-CG2 3.58Å; E699-V701 PolarHBondContact O-N 3Å; V701-T703 HydrophobicContact CG1-CG2 3.68Å; V701-T703 PolarHBondContact O-N 3.11Å
702T44.2Very low46.2Very low134 Ų13494.6 Ų94.682%0.82257%0.567SS**  trans-83.677.5176.4-53.70000111.5E700E700-T702 PolarHBondContact O-N 2.87Å; E700-T702 VanDerWaalsContact O-N 3.11Å
703T45Very low46.2Very low77 Ų7793.1 Ų93.147%0.47257%0.57SS.*  trans-77.2148.2177.262.70000113V701V701-T703 HydrophobicContact CG1-CG2 3.68Å; V701-T703 PolarHBondContact O-N 3.11Å
704V54Low46.2Very low124 Ų12494.6 Ų94.675%0.75258%0.578SS**  trans-122.3103.1167.2-179.90000107.8A706V704-A706 PolarHBondContact O-N 2.65Å
705P52Low46Very low75 Ų7598 Ų9849%0.48760%0.597SS.*PPolyproline II helixtrans-59.9128.6-176.1-26.935.6000112.9
706A62.9Low46.1Very low51 Ų5197.9 Ų97.942%0.42160%0.604SS.*PPolyproline II helixtrans-68.4143.8162.900000109.3V704V704-A706 PolarHBondContact O-N 2.65Å
707P64.1Low45.9Very low104 Ų104101.8 Ų101.868%0.67562%0.62SS**PPolyproline II helixtrans-63.6133.2178.926.6-34000110.3
708P62.9Low45.6Very low84 Ų84103.6 Ų103.655%0.54564%0.635SS.*PPolyproline II helixtrans-65.3148.4-17826.5-34.2000111.3P736P708-P736 HydrophobicContact CG-CG 4.21Å
709P54.7Low45.5Very low60 Ų60103.4 Ų103.439%0.3962%0.624SS.*PPolyproline II helixtrans-63.6147.5170.428.7-33.8000110.5P681 V712P681-P709 HydrophobicContact CG-CG 4.16Å; P709-V712 HydrophobicContact CG-CG2 4.5Å
710A44.5Very low45.2Very low75 Ų75103.1 Ų103.162%0.6263%0.63SS**SBendtrans-70.1151.7172.600000111.2
711D37.6Very low45.1Very low146 Ų14697.4 Ų97.478%0.78160%0.603SS**  trans61.576.2173.9-54-28.9000116
712V35.4Very low44.8Very low83 Ų8397.3 Ų97.350%0.50360%0.603SS.*  trans-134.7136.6164.7-170.30000110.1P709 V714P709-V712 HydrophobicContact CG-CG2 4.5Å; V712-V714 HydrophobicContact CG1-CG2 4.03Å
713S37.9Very low44.7Very low120 Ų12094.7 Ų94.784%0.83959%0.588SS**  trans-130120.1177.860.80000111.1
714V37.7Very low44.8Very low104 Ų10493.2 Ų93.263%0.6358%0.578SS**  trans-124.9146.7-175.1-174.50000109.8V712V712-V714 HydrophobicContact CG1-CG2 4.03Å
715I34.9Very low44.3Very low152 Ų15292.3 Ų92.378%0.77958%0.578SS**  trans-127.2130.6172.8-56.4173000106.6
716A38.7Very low43.9Very low75 Ų7592.9 Ų92.962%0.6257%0.574SS**  trans-145.5134.9-179.500000111.1
717D39.3Very low43Very low164 Ų16499.8 Ų99.888%0.87760%0.597SS**  trans-83.6143.7172.4-61.4-57.2000109.8
718S39.3Very low42Very low95 Ų9597.8 Ų97.866%0.66458%0.583SS**  trans-145.8126.7-170.7-61.10000115
719I39.5Very low41.2Very low108 Ų108100 Ų10055%0.55460%0.596SS**  trans-176.8167.6149.27.3164.8000109.2P747I719-P747 HydrophobicContact CD1-CG 4.08Å; I719-P747 HydrophobicContact CG2-CB 4.37Å; I719-P747 HydrophobicContact CG2-CG 4.45Å; I719-P747 WeakPolarHBondContact CG2-O 3.27Å
720P38.4Very low40.7Very low77 Ų77100.7 Ų100.750%0.560%0.599SS.*  cis-117.4142.4-41.316.95.1000111.9
721E40.9Very low41.1Very low76 Ų76103.1 Ų103.136%0.35561%0.605SS.*  79.2106.967.1-64.8176.2-82.100117.1E748 T749E721-E748 PolarHBondContact OE1-N 3.04Å; E721-E748 VanDerWaalsContact OE1-N 3.15Å; E721-T749 HydrophobicContact CB-CG2 3.97Å; E721-T749 VanDerWaalsContact CD-OG1 3.27Å; E721-T749 PolarHBondContact OE1-N 2.79Å; E721-T749 VanDerWaalsContact OE2-CA 3.29Å; E721-T749 WeakPolarHBondContact OE2-CA 3.3Å; E721-T749 WeakPolarHBondContact OE2-CB 3.29Å; E721-T749 PolarHBondContact OE2-N 3.26Å; E721-T749 PolarHBondContact OE2-OG1 3.32Å
722T36.3Very low41.8Very low60 Ų6099.4 Ų99.437%0.36859%0.59SS.*  trans-132161.3140109.50000111P693 E694P693-T722 HydrophobicContact CB-CG2 4.29Å; P693-T722 HydrophobicContact CG-CG2 4.31Å; E694-T722 HydrophobicContact CB-CG2 4.15Å; E694-T722 HydrophobicContact CG-CG2 4.5Å; E694-T722 PolarHBondContact OE1-N 3.3Å; E694-T722 VanDerWaalsContact OE2-C 3.24Å; E694-T722 WeakPolarHBondContact OE2-CA 3.36Å; E694-T722 WeakPolarHBondContact OE2-CB 3.34Å; E694-T722 PolarHBondContact OE2-N 3.39Å; E694-T722 PolarHBondContact OE2-OG1 2.88Å
723P43.5Very low43.1Very low79 Ų7998 Ų9851%0.51359%0.587SS.*  trans-93116.5-175.133.2-32.3000113.6V751P723-V751 HydrophobicContact CB-CB 4.41Å; P723-V751 HydrophobicContact CB-CG1 3.95Å; P723-V751 HydrophobicContact CB-CG2 4.22Å
724V46.4Very low44.4Very low45 Ų4597.3 Ų97.327%0.27358%0.579SS.*  trans-82.3155.7161.9-169.30000109.1P696 E726P696-V724 HydrophobicContact CB-CB 4.39Å; P696-V724 HydrophobicContact CB-CG1 3.87Å; P696-V724 HydrophobicContact CB-CG2 4.16Å; V724-E726 HydrophobicContact CG1-CG 3.84Å
725S42.3Very low45.5Very low106 Ų10696.2 Ų96.274%0.74157%0.574SS**  trans-123.599.2175.966.40000110.9
726E45.4Very low46.4Very low86 Ų8691.8 Ų91.840%0.40256%0.555SS.*  trans-115.8140.7-179.1-57.8-167.6167.600111.9V724 V728V724-E726 HydrophobicContact CG1-CG 3.84Å; E726-V728 VanDerWaalsContact C-N 3.34Å; E726-V728 HydrophobicContact CB-CG2 3.51Å; E726-V728 PolarHBondContact O-N 3.43Å; E726-V728 WeakPolarHBondContact OE2-CG2 3.26Å
727E43.1Very low46.7Very low196 Ų19691.8 Ų91.892%0.91656%0.555SS**  trans-90.362.6171.8-75.6-172.7-164.600110.7T729E727-T729 PolarHBondContact O-N 2.81Å; E727-T729 VanDerWaalsContact O-N 3.08Å
728V43.6Very low46.6Very low62 Ų6290.9 Ų90.938%0.37655%0.551SS.*  trans-75.6100.8-173.1-1600000112.3E726 T730E726-V728 VanDerWaalsContact C-N 3.34Å; E726-V728 HydrophobicContact CB-CG2 3.51Å; E726-V728 PolarHBondContact O-N 3.43Å; E726-V728 WeakPolarHBondContact OE2-CG2 3.26Å; V728-T730 HydrophobicContact CG1-CG2 3.65Å; V728-T730 PolarHBondContact O-N 2.96Å
729T44.7Very low46.5Very low132 Ų13290.6 Ų90.681%0.8154%0.544SS*.  trans-8275.7176.8-53.60000111.5E727E727-T729 PolarHBondContact O-N 2.81Å; E727-T729 VanDerWaalsContact O-N 3.08Å
730T45.5Very low46.4Very low74 Ų7491 Ų9145%0.45456%0.557SS.*  trans-76.8144.8177.462.60000112.9V728V728-T730 HydrophobicContact CG1-CG2 3.65Å; V728-T730 PolarHBondContact O-N 2.96Å
731V53.3Low46.4Very low125 Ų12592.4 Ų92.476%0.75856%0.564SS**  trans-118.498.9165.9-1800000107.5A733V731-A733 PolarHBondContact O-N 3.38Å
732P52.6Low46.1Very low69 Ų6995.7 Ų95.745%0.44858%0.582SS.*PPolyproline II helixtrans-65129.6-17423.9-32.9000111.5
733A62.1Low46.2Very low54 Ų5496.3 Ų96.345%0.44659%0.593SS.*PPolyproline II helixtrans-66.1145166.900000109.6V731V731-A733 PolarHBondContact O-N 3.38Å
734P64.2Low46Very low104 Ų10499.7 Ų99.768%0.67561%0.607SS**PPolyproline II helixtrans-62.5132.6179.126.2-34000110.2
735P62.3Low45.7Very low82 Ų82101.5 Ų101.553%0.53262%0.622SS.*PPolyproline II helixtrans-64.4148.5-177.726-34000111.3P763P735-P763 HydrophobicContact CG-CG 4.21Å
736P53.6Low45.5Very low58 Ų58100.7 Ų100.738%0.37761%0.608SS.*PPolyproline II helixtrans-62.4147.7169.728.6-34000110.3P708 V739P708-P736 HydrophobicContact CG-CG 4.21Å; P736-V739 HydrophobicContact CG-CG2 4.36Å
737A44.6Very low45Very low75 Ų7599.3 Ų99.362%0.6261%0.607SS**SBendtrans-69.3152.4172.800000111
738D38.1Very low44.7Very low146 Ų14694.7 Ų94.778%0.78159%0.585SS**  trans61.775.4175.6-54.4-31000115.5
739V35.4Very low44.5Very low88 Ų8894.5 Ų94.553%0.53358%0.584SS.*  trans-132134.7165.4-171.20000110P736 V741P736-V739 HydrophobicContact CG-CG2 4.36Å; V739-V741 HydrophobicContact CG1-CG2 4.05Å
740S38.1Very low44.4Very low117 Ų11792 Ų9282%0.81857%0.57SS**  trans-128.1117.3177.760.80000110.9
741V37.9Very low44.4Very low107 Ų10790.9 Ų90.965%0.64856%0.563SS**  trans-117.4146.1-176-174.70000109.7V739V739-V741 HydrophobicContact CG1-CG2 4.05Å
742I35.6Very low43.9Very low144 Ų14489.9 Ų89.974%0.73856%0.562SS**  trans-129.3130171.4-56.9173000106
743A38.4Very low43.6Very low73 Ų7390.8 Ų90.860%0.60356%0.56SS**  trans-143.4123.8-178.900000110.9
744D40Very low42.6Very low151 Ų15197.7 Ų97.781%0.80758%0.583SS**  trans-73.7149.9163-55.9-60.9000108.6
745S39.3Very low41.7Very low83 Ų8395.9 Ų95.958%0.5857%0.57SS**  trans-156.5168.6-167.2-66.70000116.5
746I37.7Very low40.8Very low88 Ų8898.4 Ų98.445%0.45158%0.584SS.*  trans79.7130.1168.3-48.3148.3000112.5E748 P774I746-E748 HydrophobicContact CG2-CG 4.16Å; I746-P774 WeakPolarHBondContact CG2-O 3.25Å
747P34.4Very low40.3Very low57 Ų5799.5 Ų99.537%0.3759%0.59SS.*  -120.7-169.251.17.219.5000116.1I719I719-P747 HydrophobicContact CD1-CG 4.08Å; I719-P747 HydrophobicContact CG2-CB 4.37Å; I719-P747 HydrophobicContact CG2-CG 4.45Å; I719-P747 WeakPolarHBondContact CG2-O 3.27Å
748E38.2Very low40.8Very low100 Ų100101.8 Ų101.847%0.46760%0.596SS.*  cis-174.986.6-40-93.1175.4-127.600111.4E721 I746 T776E721-E748 PolarHBondContact OE1-N 3.04Å; E721-E748 VanDerWaalsContact OE1-N 3.15Å; I746-E748 HydrophobicContact CG2-CG 4.16Å; E748-T776 HydrophobicContact CB-CG2 4.05Å; E748-T776 HydrophobicContact CG-CG2 3.5Å; E748-T776 VanDerWaalsContact CG-CG2 3.5Å; E748-T776 WeakPolarHBondContact CG-OG1 3.24Å; E748-T776 VanDerWaalsContact OE2-CG2 3.27Å; E748-T776 WeakPolarHBondContact OE2-CG2 3.47Å
749T38.5Very low41.4Very low57 Ų5798.3 Ų98.335%0.3558%0.581SS.*  trans-148.2150.5154.979.10000113.7E721E721-T749 HydrophobicContact CB-CG2 3.97Å; E721-T749 VanDerWaalsContact CD-OG1 3.27Å; E721-T749 PolarHBondContact OE1-N 2.79Å; E721-T749 VanDerWaalsContact OE2-CA 3.29Å; E721-T749 WeakPolarHBondContact OE2-CA 3.3Å; E721-T749 WeakPolarHBondContact OE2-CB 3.29Å; E721-T749 PolarHBondContact OE2-N 3.26Å; E721-T749 PolarHBondContact OE2-OG1 3.32Å
750P42.5Very low42.8Very low79 Ų7996.5 Ų96.551%0.51358%0.575SS.*  trans-86.3118.9175.632-33.7000113.2V778P750-V778 HydrophobicContact CB-CB 4.23Å; P750-V778 HydrophobicContact CB-CG1 3.74Å; P750-V778 HydrophobicContact CB-CG2 4.07Å
751V46.1Very low44Very low51 Ų5196 Ų9631%0.30957%0.57SS.*  trans-85.9153.9160-168.30000108.6P723 E753P723-V751 HydrophobicContact CB-CB 4.41Å; P723-V751 HydrophobicContact CB-CG1 3.95Å; P723-V751 HydrophobicContact CB-CG2 4.22Å; V751-E753 HydrophobicContact CG1-CG 3.84Å
752S42.3Very low45.2Very low104 Ų10495 Ų9573%0.72757%0.565SS**  trans-123.895177.466.80000111.1
753E45.6Very low46.1Very low89 Ų8990.7 Ų90.742%0.41655%0.547SS..  trans-113.4135.3-178.3-57.8-167.5164.300112.2V751 V755V751-E753 HydrophobicContact CG1-CG 3.84Å; E753-V755 VanDerWaalsContact C-N 3.28Å; E753-V755 HydrophobicContact CB-CG2 3.44Å; E753-V755 VanDerWaalsContact CB-CG2 3.44Å; E753-V755 HydrophobicContact CG-CG2 4.45Å; E753-V755 PolarHBondContact O-N 2.91Å; E753-V755 VanDerWaalsContact O-N 3.16Å; E753-V755 VanDerWaalsContact OE2-CG2 3.29Å; E753-V755 WeakPolarHBondContact OE2-CG2 3.45Å
754E42.7Very low46.4Very low198 Ų19890.8 Ų90.893%0.92555%0.547SS*.  trans-86.260.2170.7-74.9-171.1-173.900111T756E754-T756 PolarHBondContact O-N 2.94Å
755V43.8Very low46.3Very low66 Ų6690.5 Ų90.540%0.455%0.546SS..  trans-73.799.3-173.4-158.80000112.3E753 T757E753-V755 VanDerWaalsContact C-N 3.28Å; E753-V755 HydrophobicContact CB-CG2 3.44Å; E753-V755 VanDerWaalsContact CB-CG2 3.44Å; E753-V755 HydrophobicContact CG-CG2 4.45Å; E753-V755 PolarHBondContact O-N 2.91Å; E753-V755 VanDerWaalsContact O-N 3.16Å; E753-V755 VanDerWaalsContact OE2-CG2 3.29Å; E753-V755 WeakPolarHBondContact OE2-CG2 3.45Å; V755-T757 VanDerWaalsContact C-N 3.32Å; V755-T757 HydrophobicContact CB-CG2 4.46Å; V755-T757 HydrophobicContact CG1-CG2 3.62Å; V755-T757 PolarHBondContact O-N 2.79Å
756T43.6Very low46.1Very low136 Ų13690.7 Ų90.783%0.83454%0.543SS*.  trans-80.773.3176.6-53.70000111.6E754E754-T756 PolarHBondContact O-N 2.94Å
757T44.5Very low46.2Very low80 Ų8092 Ų9249%0.49156%0.561SS.*  trans-75.7146.3176.763.80000112.9V755V755-T757 VanDerWaalsContact C-N 3.32Å; V755-T757 HydrophobicContact CB-CG2 4.46Å; V755-T757 HydrophobicContact CG1-CG2 3.62Å; V755-T757 PolarHBondContact O-N 2.79Å
758V54Low46.3Very low123 Ų12394.2 Ų94.275%0.74557%0.573SS**  trans-118.6101.6166.3179.80000107.8A760V758-A760 PolarHBondContact O-N 2.84Å
759P51.6Low46.2Very low73 Ų7396.3 Ų96.347%0.47459%0.586SS.*PPolyproline II helixtrans-59.9126.4-176-2735.5000112.8
760A63Low46.2Very low50 Ų5096.6 Ų96.641%0.41359%0.594SS.*PPolyproline II helixtrans-66140.8162.100000108.9V758V758-A760 PolarHBondContact O-N 2.84Å
761P64.2Low46.1Very low108 Ų10899.5 Ų99.570%0.70161%0.605SS**PPolyproline II helixtrans-62.9132-18026-33.9000110.1
762P62.9Low45.8Very low84 Ų84100.2 Ų100.255%0.54561%0.612SS.*PPolyproline II helixtrans-64.3148.3-177.225.9-34.2000111.2P790P762-P790 HydrophobicContact CG-CG 4.23Å
763P53.7Low45.6Very low55 Ų5599.1 Ų99.136%0.35760%0.597SS.*PPolyproline II helixtrans-61.3146.6169.228.3-34000110.1P735 V766P735-P763 HydrophobicContact CG-CG 4.21Å; P763-V766 HydrophobicContact CG-CG2 4.24Å
764A44.8Very low45Very low74 Ų7497.9 Ų97.961%0.61260%0.597SS**SBendtrans-67.2151.8171.300000110.6
765D38.5Very low44.9Very low145 Ų14591.8 Ų91.878%0.77557%0.568SS**  trans63.475.7178.2-53.7-32.5000115.3
766V36Very low44.6Very low88 Ų8891.4 Ų91.453%0.53357%0.566SS.*  trans-130.5135165.5-1730000110P763 V768P763-V766 HydrophobicContact CG-CG2 4.24Å; V766-V768 HydrophobicContact CG1-CG2 4.09Å
767S38.7Very low44.5Very low116 Ų11688.6 Ų88.681%0.81155%0.55SS**  trans-128.4115.817861.10000111
768V37.7Very low44.6Very low103 Ų10386.9 Ų86.962%0.62454%0.54SS*.  trans-112.6146.3-176.9-1750000109.8V766V766-V768 HydrophobicContact CG1-CG2 4.09Å
769I36Very low44Very low144 Ų14486 Ų8674%0.73854%0.539SS*.  trans-129.8130.3170.4-57.1173.5000105.9
770A38.2Very low43.7Very low63 Ų6387.1 Ų87.152%0.52154%0.538SS..  trans-144.6129.7-179.200000110.6
771D40.9Very low42.8Very low140 Ų14094 Ų9475%0.74956%0.561SS**  trans-83.9157.6168-60.5-67000109.4
772S39.8Very low41.8Very low66 Ų6692.6 Ų92.646%0.46255%0.551SS.*  trans-133.3-170.2-167.9-55.60000115.1S799S772-S799 WeakPolarHBondContact CB-OG 3.45Å; S772-S799 PolarHBondContact N-OG 3.01Å; S772-S799 WeakPolarHBondContact OG-CB 3.47Å; S772-S799 PolarHBondContact OG-OG 3.29Å
773I37.4Very low40.9Very low81 Ų8194.9 Ų94.942%0.41556%0.563SS.*  trans66.6143.4-176.415.6-178.3000116.8E775 I800 P801I773-E775 HydrophobicContact CG2-CG 3.73Å; I773-E775 VanDerWaalsContact CG2-OE1 3.32Å; I773-E775 WeakPolarHBondContact CG2-OE1 3.23Å; I773-I800 VanDerWaalsContact CD1-O 3.3Å; I773-I800 WeakPolarHBondContact CD1-O 3.22Å; I773-I800 VanDerWaalsContact CG1-O 3.31Å; I773-I800 WeakPolarHBondContact CG1-O 3.19Å; I773-P801 HydrophobicContact CB-CB 4.25Å; I773-P801 HydrophobicContact CG1-CB 4.41Å; I773-P801 HydrophobicContact CG2-CB 3.4Å; I773-P801 VanDerWaalsContact CG2-CB 3.4Å
774P33.7Very low40.4Very low62 Ų6295.8 Ų95.840%0.40357%0.568SS.*  cis-137.9118.11338.1-16.5000120.9I746I746-P774 WeakPolarHBondContact CG2-O 3.25Å
775E39.1Very low40.8Very low70 Ų7098.2 Ų98.233%0.32758%0.575SS.*  69.991.7121.5-55172.5172.400123.2I773 E802 T803I773-E775 HydrophobicContact CG2-CG 3.73Å; I773-E775 VanDerWaalsContact CG2-OE1 3.32Å; I773-E775 WeakPolarHBondContact CG2-OE1 3.23Å; E775-E802 WeakPolarHBondContact OE1-CA 3.43Å; E775-E802 PolarHBondContact OE1-N 3Å; E775-T803 HydrophobicContact CB-CG2 3.86Å; E775-T803 HydrophobicContact CG-CG2 3.76Å; E775-T803 VanDerWaalsContact CG-OG1 3.22Å; E775-T803 WeakPolarHBondContact CG-OG1 3.27Å; E775-T803 PolarHBondContact OE1-N 3.38Å; E775-T803 WeakPolarHBondContact OE2-CG2 3.48Å
776T38.6Very low41.5Very low58 Ų5894.4 Ų94.436%0.35656%0.558SS.*  trans-136.5149.613729.60000113.4E748E748-T776 HydrophobicContact CB-CG2 4.05Å; E748-T776 HydrophobicContact CG-CG2 3.5Å; E748-T776 VanDerWaalsContact CG-CG2 3.5Å; E748-T776 WeakPolarHBondContact CG-OG1 3.24Å; E748-T776 VanDerWaalsContact OE2-CG2 3.27Å; E748-T776 WeakPolarHBondContact OE2-CG2 3.47Å
777P41.7Very low42.8Very low78 Ų7892.6 Ų92.651%0.50655%0.552SS.*  trans-81115.4169.231.9-32.9000112V805P777-V805 HydrophobicContact CB-CB 4.23Å; P777-V805 HydrophobicContact CB-CG1 3.71Å; P777-V805 HydrophobicContact CB-CG2 4.08Å
778V46.1Very low44.1Very low43 Ų4392.1 Ų92.126%0.26155%0.546SS..  trans-93.9143.3164.4-173.40000108P750 E780P750-V778 HydrophobicContact CB-CB 4.23Å; P750-V778 HydrophobicContact CB-CG1 3.74Å; P750-V778 HydrophobicContact CB-CG2 4.07Å; V778-E780 HydrophobicContact CG1-CG 3.7Å
779S42.4Very low45.3Very low105 Ų10591 Ų9173%0.73454%0.542SS*.  trans-111.193178.464.60000111.2
780E45.2Very low46.2Very low97 Ų9786.6 Ų86.645%0.45352%0.522SS..  trans-110.7134.3-179.9-56.2-168.3166.300112.4V778 V782V778-E780 HydrophobicContact CG1-CG 3.7Å; E780-V782 VanDerWaalsContact C-N 3.29Å; E780-V782 HydrophobicContact CB-CG2 3.45Å; E780-V782 VanDerWaalsContact CB-CG2 3.45Å; E780-V782 HydrophobicContact CG-CG2 4.45Å; E780-V782 PolarHBondContact O-N 2.89Å; E780-V782 VanDerWaalsContact O-N 3.16Å; E780-V782 VanDerWaalsContact OE2-CG2 3.26Å; E780-V782 WeakPolarHBondContact OE2-CG2 3.41Å
781E43.1Very low46.4Very low194 Ų19487.2 Ų87.291%0.90753%0.527SS*.  trans-85.860.7170.3-74.9-169.7-177.300111.3T783E781-T783 PolarHBondContact O-N 3.02Å
782V43.6Very low46.3Very low78 Ų7887.6 Ų87.647%0.47353%0.53SS..  trans-7499.7-173.5-158.50000112.5E780 T784E780-V782 VanDerWaalsContact C-N 3.29Å; E780-V782 HydrophobicContact CB-CG2 3.45Å; E780-V782 VanDerWaalsContact CB-CG2 3.45Å; E780-V782 HydrophobicContact CG-CG2 4.45Å; E780-V782 PolarHBondContact O-N 2.89Å; E780-V782 VanDerWaalsContact O-N 3.16Å; E780-V782 VanDerWaalsContact OE2-CG2 3.26Å; E780-V782 WeakPolarHBondContact OE2-CG2 3.41Å; V782-T784 VanDerWaalsContact C-N 3.35Å; V782-T784 HydrophobicContact CB-CG2 4.48Å; V782-T784 HydrophobicContact CG1-CG2 3.63Å; V782-T784 PolarHBondContact O-N 3.37Å
783T43.8Very low46.1Very low133 Ų13388.6 Ų88.682%0.81653%0.532SS*.  trans-81.774.8176.9-54.60000111.7E781E781-T783 PolarHBondContact O-N 3.02Å
784T43.7Very low46.2Very low74 Ų7490.4 Ų90.445%0.45455%0.552SS.*  trans-78.5144177.263.80000113.2V782V782-T784 VanDerWaalsContact C-N 3.35Å; V782-T784 HydrophobicContact CB-CG2 4.48Å; V782-T784 HydrophobicContact CG1-CG2 3.63Å; V782-T784 PolarHBondContact O-N 3.37Å
785V53.5Low46.3Very low124 Ų12492.5 Ų92.575%0.75256%0.564SS**  trans-11797.7165.7-179.30000107.8A787V785-A787 PolarHBondContact O-N 3.08Å
786P52.2Low46.1Very low65 Ų6595.7 Ų95.742%0.42258%0.582SS.*PPolyproline II helixtrans-66.2127.9-173.524.3-33000111.7A814P786-A814 HydrophobicContact CG-CB 4.35Å
787A63.3Low46Very low50 Ų5096.2 Ų96.241%0.41359%0.592SS.*PPolyproline II helixtrans-65143.3166.800000109.7V785V785-A787 PolarHBondContact O-N 3.08Å
788P66Low45.7Very low106 Ų10698.4 Ų98.469%0.68860%0.599SS**PPolyproline II helixtrans-63130.7-179.325.9-34000110.3
789P63.1Low45.2Very low81 Ų8199 Ų9953%0.52661%0.605SS.*PPolyproline II helixtrans-65.1148.8-176.925.7-33.8000111.4P817P789-P817 HydrophobicContact CG-CG 4.16Å
790P53.8Low44.9Very low50 Ų5097.8 Ų97.833%0.32559%0.59SS.*PPolyproline II helixtrans-61.3147.717127.9-34.1000110.4P762 V793P762-P790 HydrophobicContact CG-CG 4.23Å; P790-V793 HydrophobicContact CG-CG2 4.1Å
791A44.1Very low44.5Very low77 Ų7796.8 Ų96.864%0.63659%0.592SS**SBendtrans-66.5150.4171.500000110.6
792D38.8Very low44.3Very low148 Ų14892.6 Ų92.679%0.79157%0.572SS**  trans63.472.4178.7-54.3-31.2000115.2
793V35.7Very low44.2Very low86 Ų8691.6 Ų91.652%0.52157%0.566SS.*  trans-126.1131.4165.6-173.50000110P790 V795P790-V793 HydrophobicContact CG-CG2 4.1Å; V793-V795 HydrophobicContact CG1-CG2 4.06Å
794S38.1Very low44.1Very low119 Ų11988.8 Ų88.883%0.83255%0.55SS**  trans-123.3105.8177.661.90000111
795V37.2Very low44.2Very low107 Ų10787.2 Ų87.265%0.64854%0.54SS*.  trans-97.8143.9179.7-174.40000109.9V793V793-V795 HydrophobicContact CG1-CG2 4.06Å
796I34.5Very low43.6Very low137 Ų13786.1 Ų86.170%0.70354%0.539SS*.  trans-128123.9166.3-58.6173.8000105.2
797A36.5Very low43.3Very low69 Ų6987.7 Ų87.757%0.5754%0.54SS*.  trans-131.5122.9-179.100000109.5
798D35.4Very low42.3Very low124 Ų12494.3 Ų94.366%0.66356%0.563SS**  trans-107.9101.3172.9-71.7-56.7000107.4
799S35.7Very low41.2Very low55 Ų5593 Ų9339%0.38555%0.552SS.*  trans-167153.5171.1-129.50000114.4S772S772-S799 WeakPolarHBondContact CB-OG 3.45Å; S772-S799 PolarHBondContact N-OG 3.01Å; S772-S799 WeakPolarHBondContact OG-CB 3.47Å; S772-S799 PolarHBondContact OG-OG 3.29Å
800I36.3Very low40.3Very low80 Ų8095.4 Ų95.441%0.4157%0.566SS.*  trans-137.9135.7175.7-60.7170.3000108.6I773 E802 I827I773-I800 VanDerWaalsContact CD1-O 3.3Å; I773-I800 WeakPolarHBondContact CD1-O 3.22Å; I773-I800 VanDerWaalsContact CG1-O 3.31Å; I773-I800 WeakPolarHBondContact CG1-O 3.19Å; I800-E802 HydrophobicContact CG2-CG 4.44Å; I800-I827 WeakPolarHBondContact CD1-O 3.5Å
801P36.7Very low39.8Very low75 Ų7596.6 Ų96.649%0.48757%0.572SS.*  trans-126.6162.1151.636.4-24.9000113.6I773I773-P801 HydrophobicContact CB-CB 4.25Å; I773-P801 HydrophobicContact CG1-CB 4.41Å; I773-P801 HydrophobicContact CG2-CB 3.4Å; I773-P801 VanDerWaalsContact CG2-CB 3.4Å
802E38.3Very low40.2Very low106 Ų10698.7 Ų98.750%0.49558%0.577SS.*  trans-119.923.2-159.3-79.2-164.5175.800116.3E775 I800 T830E775-E802 WeakPolarHBondContact OE1-CA 3.43Å; E775-E802 PolarHBondContact OE1-N 3Å; I800-E802 HydrophobicContact CG2-CG 4.44Å; E802-T830 HydrophobicContact CB-CG2 3.7Å; E802-T830 HydrophobicContact CG-CG2 3.66Å
803T42.2Very low40.8Very low58 Ų5894.9 Ų94.936%0.35656%0.56SS.*  trans-116.6138.6176.248.20000116.9E775 V805E775-T803 HydrophobicContact CB-CG2 3.86Å; E775-T803 HydrophobicContact CG-CG2 3.76Å; E775-T803 VanDerWaalsContact CG-OG1 3.22Å; E775-T803 WeakPolarHBondContact CG-OG1 3.27Å; E775-T803 PolarHBondContact OE1-N 3.38Å; E775-T803 WeakPolarHBondContact OE2-CG2 3.48Å; T803-V805 PolarHBondContact O-N 2.74Å
804P40.4Very low42.2Very low74 Ų7493 Ų9348%0.48155%0.554SS.*  trans-76.6117.2169.431.8-34000112.2V832P804-V832 HydrophobicContact CB-CB 4.23Å; P804-V832 HydrophobicContact CB-CG1 3.76Å; P804-V832 HydrophobicContact CB-CG2 4.18Å
805V46.5Very low43.5Very low40 Ų4092.3 Ų92.324%0.24255%0.547CS..  trans-93.8141.9164.1-170.40000108P777 T803 E807P777-V805 HydrophobicContact CB-CB 4.23Å; P777-V805 HydrophobicContact CB-CG1 3.71Å; P777-V805 HydrophobicContact CB-CG2 4.08Å; T803-V805 PolarHBondContact O-N 2.74Å; V805-E807 HydrophobicContact CB-CG 4.47Å; V805-E807 HydrophobicContact CG1-CG 3.6Å
806S41.7Very low44.8Very low102 Ų10291 Ų9171%0.71354%0.54SS*.  trans-109.289.8177.563.40000110.6
807E45.3Very low45.7Very low97 Ų9786.8 Ų86.845%0.45352%0.521SS..  trans-108.3130.4-179.4-56.4-171.6178.900112V805 V809V805-E807 HydrophobicContact CB-CG 4.47Å; V805-E807 HydrophobicContact CG1-CG 3.6Å; E807-V809 VanDerWaalsContact C-N 3.25Å; E807-V809 HydrophobicContact CB-CG2 3.5Å; E807-V809 HydrophobicContact CG-CG2 4.48Å; E807-V809 PolarHBondContact O-N 2.87Å; E807-V809 VanDerWaalsContact O-N 3.09Å; E807-V809 VanDerWaalsContact OE2-CG2 3.23Å; E807-V809 WeakPolarHBondContact OE2-CG2 3.42Å
808E42.3Very low46.1Very low190 Ų19086.9 Ų86.989%0.88852%0.523SS*.  trans-84.161.6170-77.3-167.7-164.200111.3T810E808-T810 PolarHBondContact O-N 3Å
809V43.5Very low46.3Very low77 Ų7788 Ų8847%0.46753%0.528SS..  trans-70.697.1-174.9-174.60000112.4E807 T811E807-V809 VanDerWaalsContact C-N 3.25Å; E807-V809 HydrophobicContact CB-CG2 3.5Å; E807-V809 HydrophobicContact CG-CG2 4.48Å; E807-V809 PolarHBondContact O-N 2.87Å; E807-V809 VanDerWaalsContact O-N 3.09Å; E807-V809 VanDerWaalsContact OE2-CG2 3.23Å; E807-V809 WeakPolarHBondContact OE2-CG2 3.42Å; V809-T811 VanDerWaalsContact C-N 3.33Å; V809-T811 HydrophobicContact CG1-CG2 3.66Å; V809-T811 PolarHBondContact O-N 3.21Å
810T43.4Very low46.2Very low132 Ų13289.5 Ų89.581%0.8154%0.535SS*.  trans-83.270.9175.7-54.60000111.7E808E808-T810 PolarHBondContact O-N 3Å
811T43.2Very low46.3Very low75 Ų7591.3 Ų91.346%0.4656%0.555SS.*  trans-79.7145.1175.739.40000113.1V809V809-T811 VanDerWaalsContact C-N 3.33Å; V809-T811 HydrophobicContact CG1-CG2 3.66Å; V809-T811 PolarHBondContact O-N 3.21Å
812V53.1Low46.3Very low121 Ų12192.8 Ų92.873%0.73356%0.562SS**  trans-114.7102.3167.7-179.60000108.2A814V812-A814 PolarHBondContact O-N 2.8Å
813P51.8Low46.1Very low69 Ų6994.6 Ų94.645%0.44857%0.574SS.*PPolyproline II helixtrans-61.8125.7-175.6-25.835.1000113A841P813-A841 HydrophobicContact CB-CB 4.28Å
814A63.5Low45.8Very low47 Ų4794.9 Ų94.939%0.38858%0.582SS.*PPolyproline II helixtrans-67.5140162.900000109.3P786 V812P786-A814 HydrophobicContact CG-CB 4.35Å; V812-A814 PolarHBondContact O-N 2.8Å
815P65.9Low45.6Very low104 Ų10497.8 Ų97.868%0.67559%0.594SS**PPolyproline II helixtrans-64.7131-178.526.2-34000110.6
816P63.9Low45.2Very low78 Ų7899.3 Ų99.351%0.50661%0.606SS.*PPolyproline II helixtrans-67.6150.4-175.625.7-33.3000112.2P844P816-P844 HydrophobicContact CG-CG 4.11Å
817P54.6Low45Very low49 Ų4998.3 Ų98.332%0.31859%0.592SS.*PPolyproline II helixtrans-64150.8173.628.1-34000111.4P789 D819 V820P789-P817 HydrophobicContact CG-CG 4.16Å; P817-D819 VanDerWaalsContact C-N 3.3Å; P817-D819 PolarHBondContact O-N 3.36Å; P817-D819 VanDerWaalsContact O-N 3.12Å; P817-V820 HydrophobicContact CG-CG2 3.98Å
818A44.8Very low44.7Very low72 Ų7297.4 Ų97.460%0.59559%0.594SS**SBendtrans-75.7-0.8-158.200000117.3
819D38.3Very low44.6Very low147 Ų14793.8 Ų93.879%0.78658%0.578SS**  trans-144.893.8-179.5-76.2-76.9000109.3P817P817-D819 VanDerWaalsContact C-N 3.3Å; P817-D819 PolarHBondContact O-N 3.36Å; P817-D819 VanDerWaalsContact O-N 3.12Å
820V35.3Very low44.6Very low86 Ų8691.9 Ų91.952%0.52157%0.566SS.*  trans-139.2126.8173.5-169.70000109.9P817 V822P817-V820 HydrophobicContact CG-CG2 3.98Å; V820-V822 HydrophobicContact CG1-CG2 3.94Å
821S36.7Very low44.4Very low118 Ų11889.1 Ų89.183%0.82555%0.55SS**  trans-118100.4175.4620000110.6
822V37Very low44.6Very low107 Ų10787.4 Ų87.465%0.64854%0.54SS*.  trans-91143.1177.7-174.70000109.9V820V820-V822 HydrophobicContact CG1-CG2 3.94Å
823I34Very low44.1Very low144 Ų14486.3 Ų86.374%0.73854%0.538SS*.  trans-128.1119.4166.2-58.9174.1000105.3
824A36.9Very low43.8Very low64 Ų6488.6 Ų88.653%0.52954%0.542SS..  trans-126.2116.2179.900000109.3
825D36.2Very low42.7Very low135 Ų13595.5 Ų95.572%0.72257%0.566SS**  trans-95.196.9169.5-73.4-49.3000107
826S38.2Very low41.8Very low71 Ų7193.2 Ų93.250%0.49756%0.557SS.*  trans-151.4132.7-178.3-56.60000112.6
827I36.5Very low40.8Very low81 Ų8196 Ų9642%0.41557%0.572SS.*  trans-137.3108.2175.3-57.3170000108I800 I854I800-I827 WeakPolarHBondContact CD1-O 3.5Å; I827-I854 WeakPolarHBondContact CD1-O 3.32Å
828P40.6Very low40.2Very low79 Ų7997.9 Ų97.951%0.51358%0.583SS.*  trans-90.6137166.733.2-29.5000111
829E39.8Very low40.7Very low114 Ų114100.1 Ų100.153%0.53359%0.589SS.*  trans-101.533-175.3-71.8-169.3-178.900114.3T857E829-T857 HydrophobicContact CB-CG2 3.91Å; E829-T857 HydrophobicContact CG-CG2 4.11Å
830T42.3Very low41.3Very low36 Ų3696.3 Ų96.322%0.22157%0.572CS.*  trans-133.4134.617843.80000115.6E802E802-T830 HydrophobicContact CB-CG2 3.7Å; E802-T830 HydrophobicContact CG-CG2 3.66Å
831P40.6Very low42.7Very low74 Ų7494.3 Ų94.348%0.48157%0.565SS.*  trans-74.9122.717530.7-34.1000112.1V859P831-V859 HydrophobicContact CB-CB 4.15Å; P831-V859 HydrophobicContact CB-CG1 3.66Å; P831-V859 HydrophobicContact CB-CG2 4.02Å
832V46.5Very low44.1Very low39 Ų3993.3 Ų93.324%0.23656%0.556CS.*  trans-102.5157.2170.9-174.30000109.5P804 E834P804-V832 HydrophobicContact CB-CB 4.23Å; P804-V832 HydrophobicContact CB-CG1 3.76Å; P804-V832 HydrophobicContact CB-CG2 4.18Å; V832-E834 HydrophobicContact CG1-CG 3.63Å
833S42.1Very low45.3Very low99 Ų9992.1 Ų92.169%0.69255%0.55SS*.  trans-127.774.3-174.6168.80000110.2
834E45.2Very low46.2Very low116 Ų11687.3 Ų87.354%0.54253%0.528SS..  trans-97.8125.6-179.2-50.1-167.317300112.5V832 A836V832-E834 HydrophobicContact CG1-CG 3.63Å; E834-A836 HydrophobicContact CB-CB 4.23Å; E834-A836 PolarHBondContact O-N 2.79Å; E834-A836 VanDerWaalsContact O-N 3.09Å
835E41.6Very low46.5Very low192 Ų19288 Ų8890%0.89753%0.533SS*.  trans-83.453.6166.3-74.8-169.6-15500111.1T837E835-T837 PolarHBondContact O-N 3.31Å
836A46.3Very low46.6Very low57 Ų5789 Ų8947%0.47154%0.539SS..  trans-7396.2-172.300000113.5E834 T838E834-A836 HydrophobicContact CB-CB 4.23Å; E834-A836 PolarHBondContact O-N 2.79Å; E834-A836 VanDerWaalsContact O-N 3.09Å; A836-T838 VanDerWaalsContact C-N 3.31Å; A836-T838 PolarHBondContact O-N 2.83Å
837T43.2Very low46.4Very low137 Ų13789.6 Ų89.684%0.8454%0.539SS*.  trans-79.172.3178.1-55.40000112.2E835E835-T837 PolarHBondContact O-N 3.31Å
838T42.8Very low46.4Very low87 Ų8791.5 Ų91.553%0.53456%0.56SS.*  trans-80.3143.5178.8570000113.1A836A836-T838 VanDerWaalsContact C-N 3.31Å; A836-T838 PolarHBondContact O-N 2.83Å
839V53.7Low46.2Very low119 Ų11993.3 Ų93.372%0.72157%0.569SS**  trans-115.6102.8171.2-179.60000108.6A841V839-A841 PolarHBondContact O-N 2.92Å
840P51Low45.9Very low68 Ų6894.9 Ų94.944%0.44258%0.58SS.*PPolyproline II helixtrans-62.2125.3-175.2-25.735000112.9A868P840-A868 HydrophobicContact CB-CB 4.29Å
841A64.8Low45.6Very low44 Ų4496.4 Ų96.436%0.36460%0.596SS.*PPolyproline II helixtrans-65.4138.6162.400000109P813 V839P813-A841 HydrophobicContact CB-CB 4.28Å; V839-A841 PolarHBondContact O-N 2.92Å
842P67.4Low45.4Very low97 Ų9799.9 Ų99.963%0.6361%0.61SS**PPolyproline II helixtrans-63.9132.2-178.626.1-33.9000110.2
843P61.9Low45Very low81 Ų81101.4 Ų101.453%0.52662%0.623SS.*PPolyproline II helixtrans-64.6146.1-17725.8-34000111.1P871P843-P871 HydrophobicContact CG-CG 4.13Å
844P52.3Low44.8Very low44 Ų44100.7 Ų100.729%0.28661%0.61SS.*PPolyproline II helixtrans-61.7149169.728-33.7000110.2P816 V847P816-P844 HydrophobicContact CG-CG 4.11Å; P844-V847 HydrophobicContact CG-CG2 3.97Å
845A44.6Very low44.6Very low77 Ų7798.7 Ų98.764%0.63661%0.607SS**SBendtrans-64.7148.8172.700000110.7
846D37.1Very low44.6Very low157 Ų15796 Ų9684%0.8460%0.595SS**SBendtrans67.156.1177.8-56.4-30.1000116.4
847V34.1Very low44.4Very low83 Ų8395 Ų9550%0.50358%0.583SS.*  trans-116.3131.3165.7-173.20000111.1P844 V849P844-V847 HydrophobicContact CG-CG2 3.97Å; V847-V849 HydrophobicContact CG1-CG2 4.07Å
848S36.2Very low44.2Very low121 Ų12192.1 Ų92.185%0.84657%0.567SS**  trans-122.6105.2176.963.20000111.4
849V36.1Very low44.4Very low117 Ų11789.6 Ų89.671%0.70955%0.551SS**  trans-95.5144.1179.5-174.90000110V847V847-V849 HydrophobicContact CG1-CG2 4.07Å
850I33.6Very low43.9Very low148 Ų14888.6 Ų88.676%0.75955%0.549SS*.  trans-131.2120.2167.7-57.9174.5000105.9
851A36.6Very low43.6Very low67 Ų6789.8 Ų89.855%0.55455%0.549SS*.  trans-127.8111.2179.600000109.5
852D36.6Very low42.6Very low147 Ų14796.1 Ų96.179%0.78657%0.571SS**  trans-87.5100.8168-74.8-39.9000107
853S38.1Very low41.5Very low71 Ų7194.7 Ų94.750%0.49756%0.56SS.*  trans-147.5128.7-179.4-55.20000111.7
854I38.1Very low40.6Very low84 Ų8496.6 Ų96.643%0.43157%0.57SS.*  trans-130.3107.8179.1-55.4173.7000107.5I827I827-I854 WeakPolarHBondContact CD1-O 3.32Å
855P40.1Very low40.2Very low74 Ų7497.6 Ų97.648%0.48158%0.576SS.*  trans-81.6133.7169.931.4-31000110.7
856E41Very low40.7Very low136 Ų13699.2 Ų99.264%0.63658%0.578SS**  trans-98.814.9179.2-79.6-165.7-163.500114
857T42.1Very low41.4Very low35 Ų3594.9 Ų94.922%0.21556%0.558CS.*SBendtrans-129.6127.5179.952.10000113.4E829E829-T857 HydrophobicContact CB-CG2 3.91Å; E829-T857 HydrophobicContact CG-CG2 4.11Å
858P40.4Very low43Very low78 Ų7893.1 Ų93.151%0.50655%0.552SS.*  trans-76125.7176.730.6-34000111.9V886P858-V886 HydrophobicContact CB-CB 4.19Å; P858-V886 HydrophobicContact CB-CG1 3.81Å; P858-V886 HydrophobicContact CB-CG2 4.08Å
859V46.4Very low44.4Very low34 Ų3491.7 Ų91.721%0.20654%0.54CS..  trans-103.6153.1172.7-169.70000108.8P831 E861 V886P831-V859 HydrophobicContact CB-CB 4.15Å; P831-V859 HydrophobicContact CB-CG1 3.66Å; P831-V859 HydrophobicContact CB-CG2 4.02Å; V859-E861 HydrophobicContact CB-CG 4.4Å; V859-E861 HydrophobicContact CG1-CG 3.5Å; V859-V886 VanDerWaalsContact O-CG1 3.29Å; V859-V886 WeakPolarHBondContact O-CG1 3.24Å
860S42.4Very low45.8Very low97 Ų9789.8 Ų89.868%0.67853%0.53SS*.  trans-121.392.317562.10000110.1
861E46.1Very low46.7Very low93 Ų9385.1 Ų85.144%0.43551%0.509SS..  trans-109.9131.5-177.5-52.5-171.9173.600111.7V859 V863V859-E861 HydrophobicContact CB-CG 4.4Å; V859-E861 HydrophobicContact CG1-CG 3.5Å; E861-V863 VanDerWaalsContact C-N 3.32Å; E861-V863 HydrophobicContact CB-CG2 3.53Å; E861-V863 PolarHBondContact O-N 2.91Å; E861-V863 VanDerWaalsContact OE2-CG2 3.27Å; E861-V863 WeakPolarHBondContact OE2-CG2 3.26Å
862E42.8Very low47.1Very low178 Ų17885.4 Ų85.483%0.83251%0.511SS*.  trans-87.263.6170.2-79.6-169.1-148.600111.2T864E862-T864 PolarHBondContact O-N 2.96Å
863V44.3Very low47.2Very low67 Ų6786.1 Ų86.141%0.40652%0.516SS..  trans-73.297.9-173.5-175.60000112.8E861 T865E861-V863 VanDerWaalsContact C-N 3.32Å; E861-V863 HydrophobicContact CB-CG2 3.53Å; E861-V863 PolarHBondContact O-N 2.91Å; E861-V863 VanDerWaalsContact OE2-CG2 3.27Å; E861-V863 WeakPolarHBondContact OE2-CG2 3.26Å; V863-T865 HydrophobicContact CG1-CG2 3.68Å; V863-T865 PolarHBondContact O-N 3.41Å; V863-T865 VanDerWaalsContact O-N 3.08Å
864T43.8Very low47Very low120 Ų12086.7 Ų86.774%0.73652%0.516SS*.  trans-84.473.2175-55.30000111.9E862E862-T864 PolarHBondContact O-N 2.96Å
865T43.7Very low46.8Very low65 Ų6588.4 Ų88.440%0.39954%0.535SS..  trans-80.4142.9176.139.90000113.5V863V863-T865 HydrophobicContact CG1-CG2 3.68Å; V863-T865 PolarHBondContact O-N 3.41Å; V863-T865 VanDerWaalsContact O-N 3.08Å
866V56Low46.6Very low112 Ų11290.4 Ų90.468%0.67955%0.546SS*.  trans-116.599.2168.4-178.60000108.7A868V866-A868 PolarHBondContact O-N 2.94Å
867P51.8Low46.3Very low66 Ų6691.1 Ų91.143%0.42955%0.552SS.*PPolyproline II helixtrans-61.8127.4-175.2-25.935.2000113A895P867-A895 HydrophobicContact CB-CB 4.5Å; P867-A895 WeakPolarHBondContact O-CB 3.33Å
868A66Low46Very low45 Ų4592.6 Ų92.637%0.37257%0.568SS.*PPolyproline II helixtrans-66.2137.1163.700000109.2P840 V866P840-A868 HydrophobicContact CB-CB 4.29Å; V866-A868 PolarHBondContact O-N 2.94Å
869P67.2Low45.9Very low92 Ų9296.2 Ų96.260%0.59758%0.583SS**PPolyproline II helixtrans-64.9132.9-17725.9-34000110.7
870P64Low45.5Very low77 Ų7798.8 Ų98.850%0.560%0.603SS.*PPolyproline II helixtrans-66.7147.9-174.926.5-34.9000112.1P898P870-P898 HydrophobicContact CG-CG 4.38Å
871P53.8Low45.3Very low49 Ų4998.8 Ų98.832%0.31859%0.594SS.*PPolyproline II helixtrans-63.6145.1169.926.6-31.8000110.7P843 D873 V874P843-P871 HydrophobicContact CG-CG 4.13Å; P871-D873 VanDerWaalsContact C-N 3.26Å; P871-D873 PolarHBondContact O-N 3.43Å; P871-V874 HydrophobicContact CG-CG2 3.94Å
872A44.4Very low45Very low73 Ų7397.7 Ų97.760%0.60360%0.595SS**THydrogen-bonded Turntrans-73.46.8-154.800000117.8
873D38.5Very low45Very low163 Ų16396.4 Ų96.487%0.87259%0.589SS**THydrogen-bonded Turntrans-143.950.4-173.1-76.3-73.3000111.9P871P871-D873 VanDerWaalsContact C-N 3.26Å; P871-D873 PolarHBondContact O-N 3.43Å
874V33.7Very low44.8Very low83 Ų8395 Ų9550%0.50358%0.581SS.*  trans-118.6129.6178.8-173.30000111.8P871 V876P871-V874 HydrophobicContact CG-CG2 3.94Å; V874-V876 HydrophobicContact CG1-CG2 4Å
875S35.6Very low44.6Very low119 Ų11993 Ų9383%0.83257%0.57SS**  trans-117.8109.9175.160.40000110.7
876V35Very low44.7Very low117 Ų11791.7 Ų91.771%0.70956%0.561SS**  trans-100.2142.9-179.9-174.90000109.9V874V874-V876 HydrophobicContact CG1-CG2 4Å
877I33.8Very low44.2Very low151 Ų15190.4 Ų90.477%0.77456%0.558SS**  trans-131.8125.4169.8-58.5173.3000106
878A36.5Very low43.9Very low66 Ų6691.7 Ų91.755%0.54556%0.558SS.*  trans-132.4110.4-178.600000110.1S880A878-S880 PolarHBondContact O-N 2.89Å
879D38.2Very low42.9Very low153 Ų15396.3 Ų96.382%0.81857%0.572SS**  trans-92.874.4176.5-73.7-34.4000109.6
880S37.5Very low41.9Very low89 Ų8994.6 Ų94.662%0.62256%0.56SS**  trans-113.3125-179.1-60.80000112.2A878A878-S880 PolarHBondContact O-N 2.89Å
881I39.4Very low41Very low96 Ų9695.2 Ų95.249%0.49256%0.562SS.*  trans-126.4107.1173.9-55.6174.1000108.2
882P39.2Very low40.6Very low70 Ų7095.3 Ų95.346%0.45556%0.562SS.*  trans-77.6134.9167.830.9-31.4000110.4
883E42.3Very low41.3Very low151 Ų15196.5 Ų96.571%0.70656%0.561SS**SBendtrans-93.27.4177.4-73.6-163.9172.300113.6
884T41Very low42.1Very low38 Ų3891.6 Ų91.623%0.23354%0.539CS..SBendtrans-132.1132.3-177.3510000112.7
885P40Very low43.6Very low79 Ų7989.5 Ų89.551%0.51353%0.53SS..  trans-75.9127.4178.130.7-33.9000111.8V913P885-V913 HydrophobicContact CB-CB 4.47Å; P885-V913 HydrophobicContact CB-CG1 4.14Å; P885-V913 HydrophobicContact CB-CG2 4.28Å
886V45.8Very low45.2Very low36 Ų3687.9 Ų87.922%0.21852%0.517CS..  trans-105.3154171.4-166.40000108.4P858 V859 E888 V913P858-V886 HydrophobicContact CB-CB 4.19Å; P858-V886 HydrophobicContact CB-CG1 3.81Å; P858-V886 HydrophobicContact CB-CG2 4.08Å; V859-V886 VanDerWaalsContact O-CG1 3.29Å; V859-V886 WeakPolarHBondContact O-CG1 3.24Å; V886-E888 HydrophobicContact CB-CG 4.41Å; V886-E888 HydrophobicContact CG1-CG 3.67Å; V886-V913 WeakPolarHBondContact O-CG1 3.31Å
887S44.1Very low46.6Very low86 Ų8685.9 Ų85.960%0.60151%0.506SS*.  trans-120.694.2176.260.50000109.8
888E47.1Very low47.5Very low92 Ų9280.7 Ų80.743%0.4348%0.482SS..  trans-110.7130.1-176.4-56.4-177-175.200111.2V886 V890V886-E888 HydrophobicContact CB-CG 4.41Å; V886-E888 HydrophobicContact CG1-CG 3.67Å; E888-V890 VanDerWaalsContact C-N 3.34Å; E888-V890 HydrophobicContact CB-CG2 3.55Å; E888-V890 PolarHBondContact O-N 3.29Å; E888-V890 WeakPolarHBondContact OE2-CG2 3.39Å
889E44.5Very low47.9Very low143 Ų14380.9 Ų80.967%0.66848%0.484SS*.  trans-88.667.8171.4-79.7-169.5-139.400110.8T891E889-T891 PolarHBondContact O-N 3.15Å
890V45Very low47.9Very low56 Ų5681.3 Ų81.334%0.33949%0.486SS..  trans-74.194-171.8-175.90000112.9E888 T892E888-V890 VanDerWaalsContact C-N 3.34Å; E888-V890 HydrophobicContact CB-CG2 3.55Å; E888-V890 PolarHBondContact O-N 3.29Å; E888-V890 WeakPolarHBondContact OE2-CG2 3.39Å; V890-T892 HydrophobicContact CG1-CG2 3.77Å; V890-T892 PolarHBondContact O-N 3.05Å; V890-T892 VanDerWaalsContact O-N 3.08Å
891T45.8Very low47.7Very low89 Ų8980.4 Ų80.455%0.54648%0.476SS..  trans-83.675.4176-57.10000112.1E889E889-T891 PolarHBondContact O-N 3.15Å
892T44.9Very low47.6Very low51 Ų5181.4 Ų81.431%0.31349%0.492SS..  trans-80.5140.2176.441.10000113.6V890V890-T892 HydrophobicContact CG1-CG2 3.77Å; V890-T892 PolarHBondContact O-N 3.05Å; V890-T892 VanDerWaalsContact O-N 3.08Å
893V59.2Low47.4Very low98 Ų9883.8 Ų83.859%0.59451%0.505SS*.  trans-115.898.2168.3-178.40000108.9A895V893-A895 PolarHBondContact O-N 3.21Å
894P54.8Low47Very low61 Ų6183.9 Ų83.940%0.39651%0.509SS..PPolyproline II helixtrans-61.9124.4-175.4-25.434.9000112.8A922P894-A922 HydrophobicContact CB-CB 4.4Å; P894-A922 VanDerWaalsContact O-CB 3.26Å; P894-A922 WeakPolarHBondContact O-CB 3.41Å
895A66.5Low46.8Very low38 Ų3885.1 Ų85.131%0.31452%0.523SS..PPolyproline II helixtrans-64.2135.1163.200000108.9P867 V893P867-A895 HydrophobicContact CB-CB 4.5Å; P867-A895 WeakPolarHBondContact O-CB 3.33Å; V893-A895 PolarHBondContact O-N 3.21Å
896P68.3Low46.8Very low86 Ų8688.1 Ų88.156%0.55854%0.535SS*.PPolyproline II helixtrans-63.3129.9-177.925.6-33.8000109.8
897P64.2Low46.4Very low74 Ų7490.6 Ų90.648%0.48155%0.554SS.*PPolyproline II helixtrans-63.4147.8-175.925.2-34.2000111.1P925P897-P925 HydrophobicContact CG-CG 4.15Å
898P53.4Low46.1Very low42 Ų4291.2 Ų91.227%0.27355%0.549SS..PPolyproline II helixtrans-59.4144.5165.927.3-32.7000109.4P870 V901P870-P898 HydrophobicContact CG-CG 4.38Å; P898-V901 HydrophobicContact CG-CG2 3.98Å
899A44.8Very low45.7Very low71 Ų7190.4 Ų90.459%0.58755%0.552SS**THydrogen-bonded Turntrans-60.4150.3174.200000110.8
900D38.2Very low45.7Very low162 Ų16291.3 Ų91.387%0.86656%0.556SS**THydrogen-bonded Turntrans72.936178.2-52.7-32.9000117.3
901V33.7Very low45.5Very low69 Ų6990.9 Ų90.942%0.41855%0.554SS.*  trans-108.9131.2169.2-174.80000112.1P898 V903P898-V901 HydrophobicContact CG-CG2 3.98Å; V901-V903 HydrophobicContact CG1-CG2 4.15Å
902S36.4Very low45.2Very low118 Ų11890.6 Ų90.683%0.82555%0.553SS**  trans-118.8114.617661.80000111.5
903V35.6Very low45.2Very low120 Ų12089.9 Ų89.973%0.72755%0.548SS*.  trans-103.7143.6-179-175.70000110.2V901V901-V903 HydrophobicContact CG1-CG2 4.15Å
904I34Very low44.5Very low152 Ų15289.3 Ų89.378%0.77955%0.549SS*.  trans-133.2127.8169.9-57.2174.7000106.1
905A36.7Very low44.1Very low64 Ų6491.2 Ų91.253%0.52955%0.553SS.*  trans-131.4115.9179.700000110
906D39.3Very low43.1Very low143 Ų14396 Ų9677%0.76557%0.569SS**  trans-99.189173.4-75.6-36.3000108.3
907S37.7Very low41.9Very low88 Ų8894.6 Ų94.662%0.61556%0.558SS**  trans-126.8126.7-179.1-58.70000111.3
908I38.7Very low41.1Very low99 Ų9995 Ų9551%0.50856%0.559SS.*  trans-131.5107.1176.3-54.9175.2000108.3
909P38.6Very low40.6Very low74 Ų7495.6 Ų95.648%0.48156%0.562SS.*  trans-77134.1169.130.4-31.6000110.5
910E43Very low41.3Very low163 Ų16397 Ų9776%0.76256%0.563SS**SBendtrans-89.96.9177-75.1-162.9166.300113.7
911T41.2Very low42Very low47 Ų4792 Ų9229%0.28854%0.54SS..SBendtrans-136.3135.4-179.250.50000112.7
912P39.6Very low43.6Very low82 Ų8290.5 Ų90.553%0.53254%0.535SS..  trans-74.1130.1178.430.4-34.2000111.7V940P912-V940 HydrophobicContact CB-CG1 4.16Å; P912-V940 HydrophobicContact CB-CG2 4.22Å
913V45.8Very low45.1Very low36 Ų3689.2 Ų89.222%0.21852%0.523CS..  trans-108.9154.7171-167.60000107.9P885 V886 E915 V940P885-V913 HydrophobicContact CB-CB 4.47Å; P885-V913 HydrophobicContact CB-CG1 4.14Å; P885-V913 HydrophobicContact CB-CG2 4.28Å; V886-V913 WeakPolarHBondContact O-CG1 3.31Å; V913-E915 HydrophobicContact CB-CG 4.41Å; V913-E915 HydrophobicContact CG1-CG 3.75Å; V913-V940 VanDerWaalsContact O-CG1 3.22Å; V913-V940 WeakPolarHBondContact O-CG1 3.26Å
914S43.2Very low46.5Very low87 Ų8787 Ų8761%0.60851%0.511SS*.  trans-119.296.3176.559.20000109.6
915E47Very low47.5Very low101 Ų10181.6 Ų81.647%0.47249%0.486SS..  trans-110.7129.7-175.5-57.2-179-173.100111.1V913 V917V913-E915 HydrophobicContact CB-CG 4.41Å; V913-E915 HydrophobicContact CG1-CG 3.75Å; E915-V917 HydrophobicContact CB-CG2 3.57Å; E915-V917 PolarHBondContact O-N 3.31Å
916E45.1Very low47.9Very low139 Ų13982 Ų8265%0.6549%0.489SS*.  trans-90.371.8170.5-81.4-167.6-141.800110.6T918E916-T918 PolarHBondContact O-N 2.95Å
917V44.9Very low47.8Very low56 Ų5682.6 Ų82.634%0.33949%0.493SS..  trans-7691.2-171.5-175.40000112.9E915 T919E915-V917 HydrophobicContact CB-CG2 3.57Å; E915-V917 PolarHBondContact O-N 3.31Å; V917-T919 HydrophobicContact CG1-CG2 3.77Å; V917-T919 PolarHBondContact O-N 3.25Å
918T45.3Very low47.6Very low82 Ų8281.8 Ų81.850%0.50348%0.484SS..  trans-8275.7176.2-580000112.2E916E916-T918 PolarHBondContact O-N 2.95Å
919T45Very low47.6Very low54 Ų5482.7 Ų82.733%0.33150%0.499SS..  trans-81.4134.2177.340.40000113.6V917 P921V917-T919 HydrophobicContact CG1-CG2 3.77Å; V917-T919 PolarHBondContact O-N 3.25Å; T919-P921 WeakPolarHBondContact O-CD 3.44Å
920V58.1Low47.4Very low101 Ų10184.8 Ų84.861%0.61251%0.51SS*.  trans-110.991.4168.8-176.80000108.9A922V920-A922 PolarHBondContact O-N 3.04Å
921P53.3Low47Very low58 Ų5884.2 Ų84.238%0.37751%0.51SS..PPolyproline II helixtrans-65123.4-173.422.8-32.1000111.9T919 A949T919-P921 WeakPolarHBondContact O-CD 3.44Å; P921-A949 HydrophobicContact CG-CB 3.99Å; P921-A949 VanDerWaalsContact O-CB 3.25Å; P921-A949 WeakPolarHBondContact O-CB 3.5Å
922A66.8Low46.8Very low37 Ų3785 Ų8531%0.30652%0.522SS..PPolyproline II helixtrans-63.7140.4168.600000109.8P894 V920P894-A922 HydrophobicContact CB-CB 4.4Å; P894-A922 VanDerWaalsContact O-CB 3.26Å; P894-A922 WeakPolarHBondContact O-CB 3.41Å; V920-A922 PolarHBondContact O-N 3.04Å
923P69Low46.7Very low90 Ų9087.7 Ų87.758%0.58453%0.532SS*.PPolyproline II helixtrans-63.6125.7-17825.9-33.8000109.9
924P65Low46.3Very low73 Ų7389.6 Ų89.647%0.47455%0.547SS..PPolyproline II helixtrans-63.8148.7-175.923.5-32.4000111.3P952P924-P952 HydrophobicContact CG-CG 4.02Å
925P53.5Low46.1Very low40 Ų4090.2 Ų90.226%0.2654%0.542SS..PPolyproline II helixtrans-59.1149.216827.5-33.7000109.8P897 V928P897-P925 HydrophobicContact CG-CG 4.15Å; P925-V928 HydrophobicContact CG-CG2 3.97Å
926A45.2Very low45.7Very low71 Ų7189.3 Ų89.359%0.58755%0.545SS*.SBendtrans-61.2149.2173.200000110.6
927D38.5Very low45.6Very low157 Ų15790.7 Ų90.784%0.8455%0.551SS**SBendtrans70.349.4176.4-49.9-31.2000116.3
928V34.1Very low45.4Very low71 Ų7190.6 Ų90.643%0.4355%0.551SS.*  trans-117134.7168.2-175.10000111.4P925 V930P925-V928 HydrophobicContact CG-CG2 3.97Å; V928-V930 HydrophobicContact CG1-CG2 4.19Å
929S36.9Very low45.1Very low117 Ų11790.6 Ų90.682%0.81855%0.552SS**  trans-123118176.761.10000111.2
930V36.1Very low45.2Very low118 Ų11889.8 Ų89.872%0.71555%0.548SS*.  trans-108143.6-177.8-176.10000110.2V928V928-V930 HydrophobicContact CG1-CG2 4.19Å
931I33.8Very low44.5Very low151 Ų15189.3 Ų89.377%0.77455%0.548SS*.  trans-135.1128171-58.3172.8000106.1
932A36.6Very low44.2Very low64 Ų6491.2 Ų91.253%0.52955%0.553SS.*  trans-133.9111.7-17900000110.4
933D37.2Very low43.2Very low139 Ų13996.2 Ų96.274%0.74357%0.57SS**  trans-9592.4172.5-75.9-32.8000108.2
934S37.6Very low42.1Very low76 Ų7695 Ų9553%0.53156%0.56SS.*  trans-136.7127.1-179.5-55.20000111.6
935I38.6Very low41.2Very low100 Ų10095.8 Ų95.851%0.51356%0.564SS.*  trans-129.7109.7179-55.8173.6000108
936P38.8Very low40.8Very low82 Ų8296.5 Ų96.553%0.53257%0.568SS.*  trans-75.8134169.530-31.7000110.5
937E42.7Very low41.3Very low167 Ų16798.1 Ų98.178%0.7857%0.57SS**SBendtrans-917.3178.2-78.2-162.6167.200113.9
938T41.4Very low42.1Very low54 Ų5493.7 Ų93.733%0.33155%0.55SS..SBendtrans-138.7135.6-179.3510000112.8
939P40.2Very low43.6Very low82 Ų8292 Ų9253%0.53254%0.543SS..  trans-74.5131.2177.830.7-34.2000111.7V967P939-V967 HydrophobicContact CB-CG2 4.38Å
940V45.8Very low45.2Very low38 Ų3890.6 Ų90.623%0.2353%0.531CS..  trans-110.7155.9170.6-168.10000107.8P912 V913 E942 V967P912-V940 HydrophobicContact CB-CG1 4.16Å; P912-V940 HydrophobicContact CB-CG2 4.22Å; V913-V940 VanDerWaalsContact O-CG1 3.22Å; V913-V940 WeakPolarHBondContact O-CG1 3.26Å; V940-E942 HydrophobicContact CB-CG 4.38Å; V940-E942 HydrophobicContact CG1-CG 3.78Å; V940-V967 VanDerWaalsContact O-CG1 3.25Å; V940-V967 WeakPolarHBondContact O-CG1 3.13Å
941S43.8Very low46.6Very low90 Ų9088.3 Ų88.363%0.62952%0.519SS*.  trans-117.7101.9175.558.20000109.5
942E47.8Very low47.6Very low99 Ų9983 Ų8346%0.46349%0.494SS..  trans-115.9131.5-173.9-58.8178.7-167.300110.8V940 V944V940-E942 HydrophobicContact CB-CG 4.38Å; V940-E942 HydrophobicContact CG1-CG 3.78Å; E942-V944 HydrophobicContact CB-CG2 3.63Å; E942-V944 PolarHBondContact O-N 3.09Å
943E45.2Very low48.1Very low142 Ų14283.2 Ų83.266%0.66450%0.496SS*.  trans-92.776.1171.8-81.6-168.7-139.200110.5T945E943-T945 PolarHBondContact O-N 3.37Å; E943-T945 VanDerWaalsContact O-N 3.09Å
944V45.9Very low48.3Very low63 Ų6384 Ų8438%0.38250%0.5SS..  trans-80.792.3-170.1-173.30000113E942 T946E942-V944 HydrophobicContact CB-CG2 3.63Å; E942-V944 PolarHBondContact O-N 3.09Å; V944-T946 HydrophobicContact CG1-CG2 3.89Å; V944-T946 PolarHBondContact O-N 3.09Å; V944-T946 VanDerWaalsContact O-N 3.09Å
945T45.3Very low48.1Very low91 Ų9183.8 Ų83.856%0.55850%0.496SS*.  trans-83.576176.2-57.70000112.5E943E943-T945 PolarHBondContact O-N 3.37Å; E943-T945 VanDerWaalsContact O-N 3.09Å
946T45.1Very low48.1Very low55 Ų5584.3 Ų84.334%0.33751%0.508SS..  trans-80.5141.4175.946.10000114.2V944V944-T946 HydrophobicContact CG1-CG2 3.89Å; V944-T946 PolarHBondContact O-N 3.09Å; V944-T946 VanDerWaalsContact O-N 3.09Å
947V57.2Low48Very low105 Ų10585.9 Ų85.964%0.63652%0.516SS*.  trans-117.397.8168.8-178.10000109.3A949V947-A949 PolarHBondContact O-N 2.94Å
948P53.4Low47.7Very low63 Ų6385.1 Ų85.141%0.40952%0.516SS..PPolyproline II helixtrans-63.5123.7-173.4-24.634.4000113.3A976P948-A976 HydrophobicContact CB-CB 4.21Å; P948-A976 VanDerWaalsContact O-CB 3.29Å; P948-A976 WeakPolarHBondContact O-CB 3.47Å
949A66.5Low47.5Very low36 Ų3685.7 Ų85.730%0.29853%0.526SS..PPolyproline II helixtrans-67.1138.5164.800000109.6P921 V947P921-A949 HydrophobicContact CG-CB 3.99Å; P921-A949 VanDerWaalsContact O-CB 3.25Å; P921-A949 WeakPolarHBondContact O-CB 3.5Å; V947-A949 PolarHBondContact O-N 2.94Å
950P70Confident47.3Very low88 Ų8888.4 Ų88.457%0.57154%0.536SS*.PPolyproline II helixtrans-66.1125.6-177.526.3-33.8000110.4
951P66.9Low47Very low69 Ų6990 Ų9045%0.44855%0.549SS..PPolyproline II helixtrans-64.8151.5-174.721.7-31.1000112.6P979P951-P979 HydrophobicContact CG-CG 3.91Å
952P55Low46.8Very low39 Ų3990.1 Ų90.125%0.25354%0.542SS..PPolyproline II helixtrans-62.4153.5170.827.2-32.8000110.8P924 D954 V955P924-P952 HydrophobicContact CG-CG 4.02Å; P952-D954 VanDerWaalsContact C-N 3.27Å; P952-D954 PolarHBondContact O-N 3.36Å; P952-V955 HydrophobicContact CG-CG2 3.88Å
953A46.4Very low46.4Very low70 Ų7089.3 Ų89.358%0.57955%0.545SS*.SBendtrans-72.3-3.5-154.200000117.4
954D40.6Very low46.4Very low154 Ų15490.6 Ų90.682%0.82455%0.551SS**SBendtrans-144.168.2-172.5-68.1-83000110.9P952P952-D954 VanDerWaalsContact C-N 3.27Å; P952-D954 PolarHBondContact O-N 3.36Å
955V34.8Very low46.3Very low72 Ų7290 Ų9044%0.43655%0.548SS..  trans-127.4136.1177.3-1740000111P952 V957P952-V955 HydrophobicContact CG-CG2 3.88Å; V955-V957 HydrophobicContact CG1-CG2 4.12Å
956S38.3Very low46.1Very low112 Ų11289.3 Ų89.378%0.78355%0.545SS*.  trans-123.7120.2175.258.10000110.4
957V36.5Very low46.2Very low115 Ų11588.8 Ų88.870%0.69754%0.541SS*.  trans-109.9143.9-177.2-176.30000109.8V955V955-V957 HydrophobicContact CG1-CG2 4.12Å
958I35.7Very low45.6Very low150 Ų15087.9 Ų87.977%0.76954%0.54SS*.  trans-136129.9171.1-56.5174.8000106.1
959A37Very low45.4Very low66 Ų6689.6 Ų89.655%0.54554%0.542SS..  trans-136.1119.7-179.600000110.3
960D36.3Very low44.5Very low139 Ų13994.6 Ų94.674%0.74356%0.559SS**  trans-10572.1178.6-78.5-33.4000109.6
961S38.8Very low43.3Very low72 Ų7292.8 Ų92.850%0.50355%0.547SS..  trans-122.3124.5-176.6-59.80000112.5
962I40.7Very low42.4Very low93 Ų9394 Ų9448%0.47755%0.553SS.*  trans-124.5114.7176.1-55.7173.5000108.5
963P39.9Very low42Very low82 Ų8294.9 Ų94.953%0.53256%0.557SS.*  trans-76.1134170.230.1-31.9000110.9
964E45.2Very low42.6Very low169 Ų16996.4 Ų96.479%0.7956%0.56SS**SBendtrans-89.17.1178.1-74.2-162.7172.300113.9
965T43.3Very low43.3Very low51 Ų5192 Ų9231%0.31354%0.539SS..SBendtrans-140.9137.9-179.852.90000113
966P41.2Very low44.8Very low76 Ų7690.3 Ų90.349%0.49453%0.533SS..  trans-74.5136.2178.230.8-34.8000112.2V994P966-V994 HydrophobicContact CB-CG2 4.47Å
967V46.7Very low46.4Very low43 Ų4389.2 Ų89.226%0.26152%0.523SS..  trans-112.6158.6172-169.90000108P939 V940 E969 V994P939-V967 HydrophobicContact CB-CG2 4.38Å; V940-V967 VanDerWaalsContact O-CG1 3.25Å; V940-V967 WeakPolarHBondContact O-CG1 3.13Å; V967-E969 HydrophobicContact CB-CG 4.44Å; V967-E969 HydrophobicContact CG1-CG 3.78Å; V967-V994 VanDerWaalsContact O-CG1 3.23Å; V967-V994 WeakPolarHBondContact O-CG1 3.28Å
968S45Very low47.8Very low87 Ų8786.8 Ų86.861%0.60851%0.51SS*.  trans-121.9103.5174.758.40000109.4
969E48.8Very low48.7Very low98 Ų9881.4 Ų81.446%0.45849%0.485SS..  trans-115.2134.9-173.6-57.7-180-168.100110.8V967 V971V967-E969 HydrophobicContact CB-CG 4.44Å; V967-E969 HydrophobicContact CG1-CG 3.78Å; E969-V971 HydrophobicContact CB-CG2 3.63Å
970E47Very low49.2Very low141 Ų14181.1 Ų81.166%0.65948%0.482SS*.  trans-9683.4169.2-84.4-168.5-14300110T972E970-T972 PolarHBondContact O-N 3.18Å
971V45.9Very low49.4Very low51 Ų5181.1 Ų81.131%0.30948%0.482SS..  trans-86.690.3-169.4-1770000112.7E969 T973E969-V971 HydrophobicContact CB-CG2 3.63Å; V971-T973 HydrophobicContact CG1-CG2 3.68Å; V971-T973 PolarHBondContact O-N 2.84Å; V971-T973 VanDerWaalsContact O-N 3.08Å
972T48.2Very low49.2Very low93 Ų9380.8 Ų80.857%0.57148%0.477SS*.  trans-8376.5175.7-58.20000112.4E970E970-T972 PolarHBondContact O-N 3.18Å
973T45.4Very low49.1Very low58 Ų5881.7 Ų81.736%0.35649%0.492SS..  trans-84.7135.1178.943.70000114.1V971 P975V971-T973 HydrophobicContact CG1-CG2 3.68Å; V971-T973 PolarHBondContact O-N 2.84Å; V971-T973 VanDerWaalsContact O-N 3.08Å; T973-P975 WeakPolarHBondContact O-CD 3.5Å
974V60.2Low49Very low103 Ų10383.2 Ų83.262%0.62450%0.499SS*.  trans-112.292.1169.6-1770000109A976V974-A976 PolarHBondContact O-N 3.48Å
975P54.1Low48.6Very low60 Ų6081.9 Ų81.939%0.3950%0.496SS..PPolyproline II helixtrans-65.8123.4-17123.6-33.3000112.4T973 A1003T973-P975 WeakPolarHBondContact O-CD 3.5Å; P975-A1003 HydrophobicContact CG-CB 4.19Å; P975-A1003 VanDerWaalsContact O-CB 3.3Å; P975-A1003 WeakPolarHBondContact O-CB 3.43Å
976A67.3Low48.3Very low37 Ų3782.5 Ų82.531%0.30651%0.506SS..PPolyproline II helixtrans-66.7138.1169.200000110.1P948 V974P948-A976 HydrophobicContact CB-CB 4.21Å; P948-A976 VanDerWaalsContact O-CB 3.29Å; P948-A976 WeakPolarHBondContact O-CB 3.47Å; V974-A976 PolarHBondContact O-N 3.48Å
977P70.9Confident48.1Very low89 Ų8985.2 Ų85.258%0.57852%0.517SS*.PPolyproline II helixtrans-66.6126-176.226.2-34000110.8
978P65.7Low47.8Very low65 Ų6586.3 Ų86.342%0.42253%0.526SS..PPolyproline II helixtrans-65.1153.1-172.722-32.2000113.2P1006P978-P1006 HydrophobicContact CG-CG 3.85Å
979P54.6Low47.6Very low37 Ų3786.3 Ų86.324%0.2452%0.519CS..PPolyproline II helixtrans-63.5152168.827.2-31.9000110.7P951 D981 V982P951-P979 HydrophobicContact CG-CG 3.91Å; P979-D981 VanDerWaalsContact C-N 3.3Å; P979-D981 PolarHBondContact O-N 3.46Å; P979-V982 HydrophobicContact CG-CG2 3.81Å
980A48Very low47.3Very low60 Ų6085.4 Ų85.450%0.49652%0.521SS..THydrogen-bonded Turntrans-78.98.1-150.900000117.6
981D40.3Very low47.2Very low139 Ų13986.8 Ų86.874%0.74353%0.527SS*.THydrogen-bonded Turntrans-150.545.7-173.7-69.3-79.9000112.3P979P979-D981 VanDerWaalsContact C-N 3.3Å; P979-D981 PolarHBondContact O-N 3.46Å
982V35.1Very low47.2Very low64 Ų6486.9 Ų86.939%0.38853%0.528SS..  trans-99.2144.5178.8-1760000112.1P979 V984P979-V982 HydrophobicContact CG-CG2 3.81Å; V982-V984 HydrophobicContact CG1-CG2 4.11Å
983S39.2Very low46.9Very low113 Ų11386 Ų8679%0.7952%0.524SS*.  trans-125.1127.2172.9-57.70000110.1
984V37.4Very low47Very low113 Ų11385.4 Ų85.469%0.68552%0.52SS*.  trans-120.5141.8-179.3-175.50000109.1V982V982-V984 HydrophobicContact CG1-CG2 4.11Å
985I36.9Very low46.4Very low141 Ų14184.6 Ų84.672%0.72352%0.519SS*.  trans-137.2130.5170.9-56.3175.2000105.5
986A37.3Very low46.3Very low64 Ų6485.8 Ų85.853%0.52952%0.52SS..  trans-138.2111.3-177.800000110.3
987D37.2Very low45.4Very low134 Ų13490.9 Ų90.972%0.71754%0.537SS*.  trans-96.781.5177.2-70.2-19.4000109.4
988S39.7Very low44.2Very low65 Ų6589 Ų8946%0.45552%0.524SS..  trans-128.9126.1-178.3-63.60000112.6
989I41.1Very low43.6Very low88 Ų8890.2 Ų90.245%0.45153%0.53SS..  trans-124.6114.8175.8-54.3174.2000108.6
990P41.3Very low43.2Very low78 Ų7891.1 Ų91.151%0.50654%0.535SS..  trans-77.6130.2171.330.1-31.7000111T992P990-T992 VanDerWaalsContact C-N 3.34Å
991E46.6Very low43.8Very low170 Ų17093.4 Ų93.479%0.79454%0.542SS*.SBendtrans-86.45.8177.8-75.8-164.1-175.300113.8
992T44.2Very low44.4Very low53 Ų5389.5 Ų89.533%0.32553%0.525SS..SBendtrans-142.6139.7179.154.80000113.1P990P990-T992 VanDerWaalsContact C-N 3.34Å
993P42.6Very low45.9Very low75 Ų7588.3 Ų88.349%0.48752%0.522SS..  trans-73.2138.5178.830.5-35.3000112.4
994V47.9Very low47.3Very low45 Ų4587.1 Ų87.127%0.27351%0.511SS..  trans-112.8162173.3-170.50000108P966 V967 E996 V1021P966-V994 HydrophobicContact CB-CG2 4.47Å; V967-V994 VanDerWaalsContact O-CG1 3.23Å; V967-V994 WeakPolarHBondContact O-CG1 3.28Å; V994-E996 HydrophobicContact CG1-CG 3.8Å; V994-V1021 WeakPolarHBondContact O-CG1 3.26Å
995S46.6Very low48.5Very low86 Ų8685 Ų8560%0.60150%0.499SS*.  trans-128.3106.6173.959.10000109.5
996E51.7Low49.3Very low86 Ų8679.6 Ų79.640%0.40247%0.474SS..  trans-118.1136.4-173.8-56.4-179.3-168.300110.6V994 V998V994-E996 HydrophobicContact CG1-CG 3.8Å; E996-V998 HydrophobicContact CB-CG2 3.62Å
997E49.4Very low49.8Very low144 Ų14477.9 Ų77.967%0.67346%0.46SS*.  trans-99.183.4169.5-81.9-168.9-14700109.8T999E997-T999 PolarHBondContact O-N 2.79Å
998V46.7Very low49.9Very low50 Ų5074 Ų7430%0.30344%0.439SS..  trans-89.592.6-169.1-161.60000113.1E996 T1000E996-V998 HydrophobicContact CB-CG2 3.62Å; V998-T1000 HydrophobicContact CG1-CG2 3.74Å; V998-T1000 PolarHBondContact O-N 2.94Å
999T51.1Low49.7Very low90 Ų9074.3 Ų74.355%0.55244%0.438SS*.  trans-80.878.4176-59.20000112.4E997E997-T999 PolarHBondContact O-N 2.79Å
1000T46.6Very low49.6Very low56 Ų5675.6 Ų75.634%0.34446%0.455SS..  trans-77.7135177.361.10000113.7V998 P1002V998-T1000 HydrophobicContact CG1-CG2 3.74Å; V998-T1000 PolarHBondContact O-N 2.94Å; T1000-P1002 WeakPolarHBondContact O-CD 3.48Å
1001V60.8Low49.4Very low107 Ų10777.2 Ų77.265%0.64846%0.463SS*.  trans-115.389166.8-176.60000108.7A1003V1001-A1003 PolarHBondContact O-N 2.98Å
1002P53.3Low48.9Very low58 Ų5875.7 Ų75.738%0.37746%0.459SS..PPolyproline II helixtrans-65.3119.9-17123.6-33.4000112.3T1000 A1030T1000-P1002 WeakPolarHBondContact O-CD 3.48Å; P1002-A1030 HydrophobicContact CG-CB 4.48Å; P1002-A1030 WeakPolarHBondContact O-CB 3.2Å
1003A66.4Low48.6Very low39 Ų3976.1 Ų76.132%0.32247%0.468SS..PPolyproline II helixtrans-65.5136.4167.500000109.7P975 V1001P975-A1003 HydrophobicContact CG-CB 4.19Å; P975-A1003 VanDerWaalsContact O-CB 3.3Å; P975-A1003 WeakPolarHBondContact O-CB 3.43Å; V1001-A1003 PolarHBondContact O-N 2.98Å
1004P69.1Low48.4Very low87 Ų8778.5 Ų78.557%0.56548%0.477SS*.PPolyproline II helixtrans-64.2126.4-174.625-34000110.7
1005P62.8Low48Very low68 Ų6879.3 Ų79.344%0.44248%0.484SS..PPolyproline II helixtrans-64.8150-171.323.5-33.6000112.3A1007 P1033P1005-A1007 PolarHBondContact O-N 3.02Å; P1005-P1033 HydrophobicContact CG-CG 4.02Å
1006P52.7Low47.8Very low29 Ų2979.3 Ų79.319%0.18848%0.477CS..PPolyproline II helixtrans-65.5126.916728.7-32.7000109.3P978 D1008 V1009P978-P1006 HydrophobicContact CG-CG 3.85Å; P1006-D1008 PolarHBondContact O-N 3.13Å; P1006-V1009 HydrophobicContact CG-CG2 4.12Å
1007A47.9Very low47.3Very low28 Ų2878.5 Ų78.523%0.23148%0.479CS..SBendtrans-55.5137.6171.500000110.8P1005P1005-A1007 PolarHBondContact O-N 3.02Å
1008D39.7Very low47.3Very low53 Ų5379.6 Ų79.628%0.28348%0.484SS..SBendtrans91.837.6-167.1-68.8-36.5000118.1K264 K268 P1006K264-D1008 IonicContact NZ-OD2 2.81Å; K264-D1008 PolarHBondContact NZ-OD2 2.98Å; K268-D1008 IonicContact NZ-OD1 3.94Å; K268-D1008 PolarHBondContact NZ-OD1 3.08Å; K268-D1008 IonicContact NZ-OD2 3.61Å; K268-D1008 PolarHBondContact NZ-OD2 2.96Å; K268-D1008 VanDerWaalsContact NZ-OD2 3.1Å; P1006-D1008 PolarHBondContact O-N 3.13Å
1009V35Very low47.2Very low71 Ų7179.6 Ų79.643%0.4348%0.484SS..  trans-107.4146.3167.6-176.80000111.3P1006 V1011P1006-V1009 HydrophobicContact CG-CG2 4.12Å; V1009-V1011 HydrophobicContact CG1-CG2 4.03Å
1010S39Very low46.9Very low115 Ų11578.8 Ų78.880%0.80448%0.48SS*.  trans-137.5119.8173.3-57.10000109.1
1011V36.9Very low47Very low112 Ų11278.4 Ų78.468%0.67948%0.478SS*.  trans-110143.2-177.6-174.90000109V1009V1009-V1011 HydrophobicContact CG1-CG2 4.03Å
1012I36.9Very low46.4Very low137 Ų13777.5 Ų77.570%0.70348%0.476SS*.  trans-137.2130.5168.3-56.2175.5000105
1013A38.1Very low46.3Very low62 Ų6279.2 Ų79.251%0.51248%0.479SS..  trans-138.4116.2-178.300000109.6
1014D37.9Very low45.5Very low126 Ų12684.4 Ų84.467%0.67450%0.497SS*.  trans-10369-178.9-68.4-17.9000109.4
1015S40.2Very low44.5Very low62 Ų6282.9 Ų82.943%0.43449%0.486SS..  trans-117.9122.7-175.6-62.30000112.6
1016I41.6Very low43.9Very low86 Ų8684.4 Ų84.444%0.44149%0.494SS..  trans-119.9114.5175.1-54.4174.8000108.9
1017P42Very low43.6Very low69 Ų6985.5 Ų85.545%0.44850%0.5SS..  trans-79.3127.717230.4-31.5000111.2T1019P1017-T1019 VanDerWaalsContact C-N 3.32Å; P1017-T1019 PolarHBondContact O-N 3.18Å
1018E48.1Very low44.1Very low166 Ų16689.7 Ų89.778%0.77652%0.523SS*.SBendtrans-832.2178.3-75.3-164.4-17700114
1019T45.2Very low44.7Very low50 Ų5090.1 Ų90.131%0.30753%0.528SS..SBendtrans-142.8140178.557.70000113P1017P1017-T1019 VanDerWaalsContact C-N 3.32Å; P1017-T1019 PolarHBondContact O-N 3.18Å
1020P45.3Very low46.2Very low74 Ų7488.8 Ų88.848%0.48152%0.524SS..  trans-71.5138.4-18029.5-35.5000112.6
1021V48.6Very low47.5Very low47 Ų4787.6 Ų87.629%0.28551%0.514SS..  trans-109.4162.9173.1-173.70000108.3V994 E1023V994-V1021 WeakPolarHBondContact O-CG1 3.26Å; V1021-E1023 HydrophobicContact CG1-CG 3.79Å
1022S47.1Very low48.7Very low89 Ų8985.6 Ų85.662%0.62250%0.504SS*.  trans-129.9108173.359.60000109.7
1023E51.6Low49.3Very low94 Ų9481 Ų8144%0.43948%0.483SS..  trans-117.7138.4-174.6-55.8-177.4-169.800110.7V1021 V1025V1021-E1023 HydrophobicContact CG1-CG 3.79Å; E1023-V1025 HydrophobicContact CB-CG2 3.72Å
1024E50.6Low49.8Very low148 Ų14880.8 Ų80.869%0.69248%0.481SS*.  trans-99.789.2168.6-82-168.2-150.400110T1026E1024-T1026 PolarHBondContact O-N 3.34Å
1025V47Very low49.9Very low54 Ų5480.2 Ų80.233%0.32748%0.478SS..  trans-91.892.7-169.1-178.20000112.7E1023 T1027E1023-V1025 HydrophobicContact CB-CG2 3.72Å; V1025-T1027 HydrophobicContact CG1-CG2 3.78Å; V1025-T1027 PolarHBondContact O-N 3.34Å
1026T51.4Low49.6Very low100 Ų10080.7 Ų80.761%0.61348%0.478SS*.  trans-8780.8176.4-59.20000112.4E1024E1024-T1026 PolarHBondContact O-N 3.34Å
1027T45.9Very low49.5Very low53 Ų5381.8 Ų81.833%0.32549%0.493SS..  trans-85.6133.3178470000113.9V1025 P1029V1025-T1027 HydrophobicContact CG1-CG2 3.78Å; V1025-T1027 PolarHBondContact O-N 3.34Å; T1027-P1029 WeakPolarHBondContact O-CD 3.32Å
1028V58.5Low49.3Very low116 Ų11684 Ų8470%0.70351%0.505SS*.  trans-110.892.8167.4-177.30000108.8A1030V1028-A1030 PolarHBondContact O-N 2.93Å; V1028-A1030 VanDerWaalsContact O-N 3.16Å
1029P52.1Low48.8Very low62 Ų6282.4 Ų82.440%0.40350%0.501SS..PPolyproline II helixtrans-66.2117.3-171.924.3-33.6000112T1027T1027-P1029 WeakPolarHBondContact O-CD 3.32Å
1030A65.3Low48.4Very low42 Ų4282.9 Ų82.935%0.34751%0.51SS..PPolyproline II helixtrans-64.1135.5164.300000109.1P1002 V1028P1002-A1030 HydrophobicContact CG-CB 4.48Å; P1002-A1030 WeakPolarHBondContact O-CB 3.2Å; V1028-A1030 PolarHBondContact O-N 2.93Å; V1028-A1030 VanDerWaalsContact O-N 3.16Å
1031P67.9Low48.1Very low90 Ų9085 Ų8558%0.58452%0.517SS*.PPolyproline II helixtrans-62.4127.9-175.924.8-33.9000110.2
1032P60.9Low47.7Very low71 Ų7185.6 Ų85.646%0.46152%0.523SS..PPolyproline II helixtrans-65.2148.3-17525.7-34.1000111.1P1060P1032-P1060 HydrophobicContact CG-CG 4.22Å
1033P50.6Low47.4Very low40 Ų4085 Ų8526%0.2651%0.512SS..PPolyproline II helixtrans-60.8146.4162.930.3-34.9000109.2P1005 V1036P1005-P1033 HydrophobicContact CG-CG 4.02Å; P1033-V1036 HydrophobicContact CG-CG2 4.4Å
1034A47.3Very low47Very low57 Ų5783.7 Ų83.747%0.47151%0.511SS..SBendtrans-58.6153.9172.100000111.3
1035D40Very low47Very low115 Ų11584.2 Ų84.262%0.61551%0.514SS*.  trans66.864.5-178.2-53.9-44.1000115.4
1036V35.5Very low47Very low72 Ų7283.9 Ų83.944%0.43651%0.512SS..  trans-118.2138.6164.3-176.10000109.7P1033 V1038P1033-V1036 HydrophobicContact CG-CG2 4.4Å; V1036-V1038 HydrophobicContact CG1-CG2 4.14Å
1037S39.4Very low46.8Very low109 Ų10982.5 Ų82.576%0.76251%0.505SS*.  trans-126.3121.3174.3-51.40000108.9
1038V37.5Very low47Very low115 Ų11582.3 Ų82.370%0.69750%0.504SS*.  trans-110.4140.7179.2-175.20000108.6V1036V1036-V1038 HydrophobicContact CG1-CG2 4.14Å
1039I36.9Very low46.6Very low133 Ų13380.8 Ų80.868%0.68250%0.498SS*.  trans-137.5127.9168.6-56.8175.1000104.5
1040A37.7Very low46.6Very low60 Ų6082.4 Ų82.450%0.49650%0.5SS..  trans-132.7116.7179.900000108.6
1041D38.4Very low46Very low119 Ų11988 Ų8864%0.63652%0.519SS*.  trans-100.989.5173.9-70.4-42.1000107.1
1042S40.5Very low45.1Very low58 Ų5886.2 Ų86.241%0.40651%0.507SS..  trans-145.2122-176.8-58.50000112.5
1043I41.5Very low44.7Very low78 Ų7888 Ų8840%0.452%0.516SS..  trans-119.8113.8178.7-55.1175.2000108.1
1044P42.8Very low44.4Very low65 Ų6588.9 Ų88.942%0.42252%0.521SS..  trans-79.4126.6172.230.3-31.4000110.8T1046P1044-T1046 VanDerWaalsContact C-N 3.29Å; P1044-T1046 PolarHBondContact O-N 3Å
1045E49.4Very low45.1Very low159 Ų15991.6 Ų91.674%0.74353%0.531SS*.SBendtrans-80.80.9178.8-72.2-164.7-177.900114.1
1046T47.8Very low45.7Very low47 Ų4788.9 Ų88.929%0.28852%0.52SS..SBendtrans-142140.3178.160.30000112.9P1044P1044-T1046 VanDerWaalsContact C-N 3.29Å; P1044-T1046 PolarHBondContact O-N 3Å
1047P47.6Very low47.1Very low71 Ų7187.3 Ų87.346%0.46151%0.514SS..  trans-71.5138-178.729.2-35.6000112.8
1048V50.1Low48.5Very low50 Ų5086.3 Ų86.330%0.30351%0.506SS..  trans-106.3163172.5-175.40000108.4E1050V1048-E1050 HydrophobicContact CG1-CG 3.81Å
1049S48.6Very low49.7Very low83 Ų8384.1 Ų84.158%0.5849%0.493SS*.  trans-131108.6172.960.40000110
1050E52.4Low50.5Low97 Ų9779.5 Ų79.545%0.45347%0.472SS..  trans-116.2137.8-175.3-55.4-175.8-170.500111.1V1048 V1052V1048-E1050 HydrophobicContact CG1-CG 3.81Å; E1050-V1052 HydrophobicContact CB-CG2 3.66Å
1051E54Low50.9Low159 Ų15979.5 Ų79.574%0.74347%0.472SS*.  trans-99.892.1166.3-83.3-167.2-159.200109.7T1053E1051-T1053 PolarHBondContact O-N 3.46Å
1052V47.6Very low51Low53 Ų5380.1 Ų80.132%0.32148%0.475SS..  trans-97.897.7-171-163.90000112.8E1050 T1054E1050-V1052 HydrophobicContact CB-CG2 3.66Å; V1052-T1054 HydrophobicContact CG1-CG2 3.86Å; V1052-T1054 PolarHBondContact O-N 3.27Å
1053T52.9Low50.8Low108 Ų10881 Ų8166%0.66348%0.478SS*.  trans-88.486.9176.5-60.40000112.3E1051E1051-T1053 PolarHBondContact O-N 3.46Å
1054T45.6Very low50.8Low58 Ų5882.1 Ų82.136%0.35649%0.493SS..  trans-87.3140.2177.160.50000114.2V1052V1052-T1054 HydrophobicContact CG1-CG2 3.86Å; V1052-T1054 PolarHBondContact O-N 3.27Å
1055V60.2Low50.6Low115 Ų11584 Ų8470%0.69750%0.503SS*.  trans-118.894.4166.7-177.60000108.8A1057V1055-A1057 PolarHBondContact O-N 3.19Å
1056P52.7Low50.1Low57 Ų5782.5 Ų82.537%0.3750%0.499SS..PPolyproline II helixtrans-67.9120.5-171.224.5-33.4000112.3
1057A64.9Low49.6Very low39 Ų3983 Ų8332%0.32251%0.508SS..PPolyproline II helixtrans-66.7139.7164.100000109.5V1055V1055-A1057 PolarHBondContact O-N 3.19Å
1058P68.6Low49.2Very low89 Ų8984.7 Ų84.758%0.57851%0.513SS*.PPolyproline II helixtrans-63.5127.8-177.925.7-33.9000110.3
1059P63.1Low48.8Very low68 Ų6885.1 Ų85.144%0.44252%0.518SS..PPolyproline II helixtrans-68.8153-174.127.1-34.3000111.8P1087P1059-P1087 HydrophobicContact CG-CG 4.22Å
1060P54.1Low48.5Very low37 Ų3784.6 Ų84.624%0.2451%0.508CS..PPolyproline II helixtrans-60.2154.8164.829.3-34.7000110.1P1032 V1063P1032-P1060 HydrophobicContact CG-CG 4.22Å; P1060-V1063 HydrophobicContact CG-CG2 4.39Å
1061A46.4Very low48.1Very low59 Ų5982.7 Ų82.749%0.48850%0.504SS..SBendtrans-64.3155.5170.700000110.8P1087A1061-P1087 HydrophobicContact CB-CB 4.48Å
1062D40.6Very low48Very low132 Ų13281.7 Ų81.771%0.70650%0.5SS*.  trans6569.9177.7-50.4-21.4000114.5
1063V36.6Very low48.1Very low76 Ų7681.2 Ų81.246%0.46150%0.497SS..  trans-120.2139166.7-174.80000109.4P1060 V1065P1060-V1063 HydrophobicContact CG-CG2 4.39Å; V1063-V1065 HydrophobicContact CG1-CG2 4.1Å
1064S40.3Very low47.9Very low102 Ų10279.3 Ų79.371%0.71349%0.486SS*.  trans-132.1129.3172.449.20000109.2
1065V39.2Very low48.2Very low105 Ų10578.8 Ų78.864%0.63648%0.483SS*.  trans-119.2140.5-174.1-176.10000108.1V1063V1063-V1065 HydrophobicContact CG1-CG2 4.1Å
1066I37.6Very low47.6Very low127 Ų12777.2 Ų77.265%0.65148%0.477SS*.  trans-136.1127.1169.6-56.9174.7000104.7
1067A38.8Very low47.7Very low58 Ų5879 Ų7948%0.47948%0.481SS..  trans-130.3116.8179.600000108.7
1068D39.2Very low47.2Very low106 Ų10684.8 Ų84.857%0.56750%0.501SS*.  trans-101.995.2171.8-69.5-43.6000106.4
1069S41.4Very low46.2Very low59 Ų5983.4 Ų83.441%0.41349%0.49SS..  trans-152.3123.8-178.8-64.90000112.5
1070I42.2Very low45.8Very low72 Ų7285.5 Ų85.537%0.36950%0.502SS..  trans-120.5114.3179-57.7176.6000108.2I1097I1070-I1097 WeakPolarHBondContact CG2-O 3.36Å
1071P44.6Very low45.5Very low57 Ų5786.3 Ų86.337%0.3751%0.507SS..  trans-79.8125.217130.4-31.1000110.6T1073P1071-T1073 VanDerWaalsContact C-N 3.29Å; P1071-T1073 PolarHBondContact O-N 3.31Å
1072E51.2Low46.2Very low139 Ų13988.9 Ų88.965%0.6552%0.516SS*.SBendtrans-81-0.4178.9-70.4-165.5-17400114.1
1073T50Low46.9Very low42 Ų4285.6 Ų85.626%0.25850%0.502SS..SBendtrans-140.5141.5177.6630000112.8P1071P1071-T1073 VanDerWaalsContact C-N 3.29Å; P1071-T1073 PolarHBondContact O-N 3.31Å
1074P48.5Very low48.3Very low69 Ų6983.7 Ų83.745%0.44849%0.494SS..  trans-72.4133.9-177.429.4-35.4000112.7
1075V50.8Low49.8Very low47 Ų4783.3 Ų83.329%0.28549%0.489SS..  trans-98.5162.4171.2-173.90000108.6E1077V1075-E1077 HydrophobicContact CG1-CG 3.75Å
1076S49.1Very low51Low82 Ų8281.4 Ų81.457%0.57348%0.479SS*.  trans-130.4106.8171.960.90000110
1077E53.3Low52Low95 Ų9577 Ų7744%0.44446%0.458SS..  trans-114.8137.6-175.4-54.7-174.6-170.300111.4V1075 V1079V1075-E1077 HydrophobicContact CG1-CG 3.75Å; E1077-V1079 HydrophobicContact CB-CG2 3.69Å
1078E54.9Low52.5Low160 Ų16077.1 Ų77.175%0.74846%0.46SS*.  trans-100.392.9166.3-82.8-166.6-15700110
1079V48.7Very low52.7Low59 Ų5978.1 Ų78.136%0.35847%0.465SS..  trans-98.1100.7-170.1-177.40000112.7E1077 T1081E1077-V1079 HydrophobicContact CB-CG2 3.69Å; V1079-T1081 HydrophobicContact CG1-CG2 3.87Å; V1079-T1081 PolarHBondContact O-N 2.75Å
1080T54.8Low52.6Low113 Ų11378.4 Ų78.469%0.69346%0.464SS*.  trans-95.486176.5-60.10000112.2
1081T47.1Very low52.7Low54 Ų5479.6 Ų79.633%0.33148%0.479SS..  trans-90.5139.7178.448.30000114.3V1079V1079-T1081 HydrophobicContact CG1-CG2 3.87Å; V1079-T1081 PolarHBondContact O-N 2.75Å
1082V61.9Low52.6Low113 Ų11381.3 Ų81.369%0.68549%0.488SS*.  trans-116.797.2167.3-177.70000109A1084V1082-A1084 PolarHBondContact O-N 3.22Å
1083P54.3Low52Low62 Ų6280 Ų8040%0.40349%0.485SS..PPolyproline II helixtrans-70.3127.1-170.925.5-33.6000112.9
1084A66.9Low51.6Low36 Ų3680.4 Ų80.430%0.29849%0.492SS..PPolyproline II helixtrans-72.7143.6164.200000110.1V1082V1082-A1084 PolarHBondContact O-N 3.22Å
1085P71.1Confident51.3Low94 Ų9481.9 Ų81.961%0.6150%0.496SS*.PPolyproline II helixtrans-66.2129.3-178.826.6-34.1000111
1086P64.4Low51Low66 Ų6682 Ų8243%0.42950%0.499SS..PPolyproline II helixtrans-74.6157.9-172.628.8-34.5000113.4P1114P1086-P1114 HydrophobicContact CG-CG 4.27Å
1087P58.8Low50.7Low33 Ų3381.1 Ų81.121%0.21449%0.487CS..PPolyproline II helixtrans-64.1163.6169.928.7-34.6000111.8P1059 A1061 D1089 V1090P1059-P1087 HydrophobicContact CG-CG 4.22Å; A1061-P1087 HydrophobicContact CB-CB 4.48Å; P1087-D1089 PolarHBondContact O-N 3.31Å; P1087-V1090 HydrophobicContact CG-CG2 4.5Å
1088A49.6Very low50.4Low62 Ų6279.1 Ų79.151%0.51248%0.482SS..SBendtrans-77.6-12.7-15600000117
1089D44Very low50.5Low126 Ų12677.3 Ų77.367%0.67447%0.474SS*.  trans-137.8109.8-175.7-62-96000108.7P1087P1087-D1089 PolarHBondContact O-N 3.31Å
1090V39.1Very low50.7Low65 Ų6576.2 Ų76.239%0.39447%0.467SS..  trans-141.7141176.9-173.20000109.5P1087 V1092P1087-V1090 HydrophobicContact CG-CG2 4.5Å; V1090-V1092 HydrophobicContact CG1-CG2 4.05Å
1091S43.9Very low50.5Low97 Ų9773.9 Ų73.968%0.67845%0.454SS*.  trans-129.5124.7172.3-54.60000108.9
1092V41.6Very low50.7Low94 Ų9473.3 Ų73.357%0.5745%0.451SS*.  trans-115.2139.2-178-174.80000108.7V1090V1090-V1092 HydrophobicContact CG1-CG2 4.05Å
1093I39.9Very low50.2Low112 Ų11271.7 Ų71.757%0.57444%0.444SS*.  trans-135.4128.7168.6-56.9174.6000104.7
1094A40.5Very low50.2Low50 Ų5073.5 Ų73.541%0.41345%0.447SS..  trans-135.3117.8-179.600000109S1123A1094-S1123 PolarHBondContact O-OG 2.89Å
1095D42.9Very low49.6Very low99 Ų9979.3 Ų79.353%0.52947%0.468SS..  trans-106.894.2174.2-63.1-14.7000106.3
1096S43.5Very low48.6Very low49 Ų4977.6 Ų77.634%0.34346%0.456SS..  trans-152.2123-177.4-71.60000113S1123S1096-S1123 PolarHBondContact N-OG 2.84Å; S1096-S1123 PolarHBondContact O-OG 2.76Å
1097I44.6Very low48.1Very low65 Ų6579.8 Ų79.833%0.33347%0.468SS..  trans-119.9114.5-179.5-63.7177000108.8I1070 I1124I1070-I1097 WeakPolarHBondContact CG2-O 3.36Å; I1097-I1124 WeakPolarHBondContact CG1-O 3.47Å; I1097-I1124 WeakPolarHBondContact CG2-O 3.27Å
1098P46.9Very low47.5Very low52 Ų5280.8 Ų80.834%0.33847%0.474SS..  trans-81.7123170.530.7-30.9000111T1100P1098-T1100 VanDerWaalsContact C-N 3.3Å; P1098-T1100 PolarHBondContact O-N 3.4Å
1099E55.5Low48.2Very low123 Ų12383.1 Ų83.158%0.57548%0.482SS*.SBendtrans-79.9-3.5178.7-71.3-166.1-169.300114
1100T54.4Low48.7Very low36 Ų3680 Ų8022%0.22147%0.468CS..SBendtrans-137.1142.6178.664.60000112.9P1098P1098-T1100 VanDerWaalsContact C-N 3.3Å; P1098-T1100 PolarHBondContact O-N 3.4Å
1101P49.5Very low50Low64 Ų6478.6 Ų78.642%0.41646%0.464SS..  trans-75.7130.3-174.730.5-34.7000112.2T1127P1101-T1127 WeakPolarHBondContact CD-OG1 3.42Å
1102V51.6Low51.4Low42 Ų4278.3 Ų78.326%0.25546%0.459SS..  trans-93159.6172.1-1710000108.9E1104V1102-E1104 HydrophobicContact CG1-CG 3.7Å
1103S51Low52.5Low79 Ų7976.9 Ų76.955%0.55245%0.452SS*.  trans-129.1103.1171.962.20000110.3
1104E54.6Low53.5Low99 Ų9973 Ų7346%0.46343%0.434SS..  trans-112.3136.8-175.7-53.8-174.8-172.300111.7V1102 V1106V1102-E1104 HydrophobicContact CG1-CG 3.7Å; E1104-V1106 HydrophobicContact CB-CG2 3.67Å; E1104-V1106 WeakPolarHBondContact OE2-CG2 3.33Å
1105E55.3Low54.1Low158 Ų15873.4 Ų73.474%0.73844%0.437SS*.  trans-9987.1166-83.1-164.9-159.600110.3T1107E1105-T1107 PolarHBondContact O-N 2.95Å
1106V49.1Very low54.3Low59 Ų5974.4 Ų74.436%0.35844%0.442SS..  trans-91.399-171.8-177.80000112.8E1104 T1108E1104-V1106 HydrophobicContact CB-CG2 3.67Å; E1104-V1106 WeakPolarHBondContact OE2-CG2 3.33Å; V1106-T1108 HydrophobicContact CG1-CG2 3.73Å; V1106-T1108 PolarHBondContact O-N 3.11Å
1107T53.8Low54.2Low112 Ų11275 Ų7569%0.68744%0.444SS*.  trans-94.686.1175.6-60.40000112.3E1105E1105-T1107 PolarHBondContact O-N 2.95Å
1108T47.4Very low54.4Low54 Ų5476 Ų7633%0.33146%0.457SS..  trans-94.5143.8179.949.10000114.4V1106V1106-T1108 HydrophobicContact CG1-CG2 3.73Å; V1106-T1108 PolarHBondContact O-N 3.11Å
1109V63.7Low54.3Low111 Ų11177.3 Ų77.367%0.67346%0.464SS*.  trans-120.198.5169.7-1780000109.2A1111V1109-A1111 PolarHBondContact O-N 3.38Å
1110P54.7Low53.8Low60 Ų6076 Ų7639%0.3946%0.46SS..PPolyproline II helixtrans-64.9128-172.3-25.335.1000114.2
1111A66.2Low53.2Low36 Ų3676.7 Ų76.730%0.29847%0.469SS..PPolyproline II helixtrans-76.4141.5160.400000109.5V1109V1109-A1111 PolarHBondContact O-N 3.38Å
1112P72.1Confident53.1Low90 Ų9078.1 Ų78.158%0.58447%0.473SS*.PPolyproline II helixtrans-67.2130.2-17927-34000111.1
1113P65.9Low52.8Low64 Ų6478.1 Ų78.142%0.41648%0.475SS..PPolyproline II helixtrans-76.6160.3-172.729.2-34.2000113.7P1141P1113-P1141 HydrophobicContact CG-CG 4.26Å
1114P61.5Low52.6Low32 Ų3277 Ų7721%0.20846%0.462CS..PPolyproline II helixtrans-64.8167.6170.928.8-35.2000112.3P1086 D1116P1086-P1114 HydrophobicContact CG-CG 4.27Å; P1114-D1116 PolarHBondContact O-N 2.79Å
1115A52.5Low52.3Low58 Ų5874.7 Ų74.748%0.47946%0.455SS..SBendtrans-79.3-18-154.400000116.8
1116D47.1Very low52.4Low119 Ų11972.3 Ų72.364%0.63644%0.444SS*.  trans-136.2109.2-172.9-62.8-96.1000109P1114P1114-D1116 PolarHBondContact O-N 2.79Å
1117V41.8Very low52.8Low61 Ų6171.2 Ų71.237%0.3744%0.438SS..  trans-138.2142179.4-173.20000110.1V1119V1117-V1119 HydrophobicContact CG1-CG2 4.05Å
1118S48.2Very low52.5Low86 Ų8668.9 Ų68.960%0.60143%0.425SS*.EExtended strand (participates in β ladder)trans-129.6129.2173.2-57.90000109.1
1119V44.3Very low52.7Low80 Ų8068.2 Ų68.249%0.48542%0.42SS..EExtended strand (participates in β ladder)trans-123.7138.8-176.7-174.60000109V1117V1117-V1119 HydrophobicContact CG1-CG2 4.05Å
1120I44.3Very low52.1Low97 Ų9766.8 Ų66.850%0.49742%0.415SS..EExtended strand (participates in β ladder)trans-134.3131.4169.7-54.9175.8000105.1
1121A43.1Very low52.2Low49 Ų4968.8 Ų68.841%0.40542%0.42SS..EExtended strand (participates in β ladder)trans-140.2119.1-178.800000109.8
1122D47.9Very low51.6Low95 Ų9574.6 Ų74.651%0.50844%0.441SS..  trans-115.486.4178.3-64.85000106.8
1123S44.8Very low50.5Low41 Ų4173.2 Ų73.229%0.28743%0.43SS..  trans-152.9126.2-177.9-74.40000113.1A1094 S1096 S1150A1094-S1123 PolarHBondContact O-OG 2.89Å; S1096-S1123 PolarHBondContact N-OG 2.84Å; S1096-S1123 PolarHBondContact O-OG 2.76Å; S1123-S1150 PolarHBondContact N-OG 3.03Å; S1123-S1150 VanDerWaalsContact N-OG 3.15Å; S1123-S1150 WeakPolarHBondContact O-CB 3.25Å; S1123-S1150 PolarHBondContact O-OG 3.31Å
1124I47.1Very low50Low57 Ų5775.3 Ų75.329%0.29244%0.442SS..  trans-118.9116.3-175.9-69.3175.8000109.2I1097 I1151I1097-I1124 WeakPolarHBondContact CG1-O 3.47Å; I1097-I1124 WeakPolarHBondContact CG2-O 3.27Å; I1124-I1151 HydrophobicContact CD1-CB 4.17Å; I1124-I1151 VanDerWaalsContact CG1-O 3.31Å; I1124-I1151 WeakPolarHBondContact CG1-O 3.34Å; I1124-I1151 WeakPolarHBondContact CG2-O 3.4Å
1125P48.2Very low49.3Very low49 Ų4976 Ų7632%0.31845%0.446SS..  trans-80.1123.1170.830.4-31.2000111.1T1127P1125-T1127 VanDerWaalsContact C-N 3.29Å; P1125-T1127 PolarHBondContact O-N 3.22Å
1126E56.8Low49.8Very low109 Ų10978.7 Ų78.751%0.50946%0.456SS..SBendtrans-79.2-3.7178.2-73.7-163.6-168.800114T1154E1126-T1154 WeakPolarHBondContact O-CG2 3.37Å
1127T56.6Low50.2Low35 Ų3575.9 Ų75.922%0.21544%0.444CS..SBendtrans-136.4147.2-179.5620000113.1P1101 P1125 V1129P1101-T1127 WeakPolarHBondContact CD-OG1 3.42Å; P1125-T1127 VanDerWaalsContact C-N 3.29Å; P1125-T1127 PolarHBondContact O-N 3.22Å; T1127-V1129 PolarHBondContact O-N 3.17Å
1128P49Very low51.3Low64 Ų6474.5 Ų74.542%0.41644%0.439SS..  trans-79.4122.7-172.730.6-34.2000111.8T1154 P1155P1128-T1154 WeakPolarHBondContact CD-OG1 3.25Å; P1128-P1155 WeakPolarHBondContact CB-O 3.11Å
1129V51.9Low52.4Low39 Ų3974.7 Ų74.724%0.23644%0.439CS..  trans-85.8155.8171.7-169.60000109.3T1127 E1131T1127-V1129 PolarHBondContact O-N 3.17Å; V1129-E1131 HydrophobicContact CG1-CG 3.63Å
1130S51.1Low53.4Low82 Ų8274.1 Ų74.157%0.57344%0.436SS*.  trans-127.899.9172.162.70000110.4
1131E54.8Low54.2Low102 Ų10271.1 Ų71.148%0.47742%0.423SS..  trans-108.5135.6-175.5-52.5-174.6-175.600112.1V1129 V1133V1129-E1131 HydrophobicContact CG1-CG 3.63Å; E1131-V1133 HydrophobicContact CB-CG2 3.63Å; E1131-V1133 VanDerWaalsContact OE2-CG2 3.27Å; E1131-V1133 WeakPolarHBondContact OE2-CG2 3.29Å
1132E55.5Low54.8Low158 Ų15871.6 Ų71.674%0.73843%0.427SS*.  trans-98.380.7165.8-84.5-163.2-159.800110.6T1134E1132-T1134 PolarHBondContact O-N 3.31Å
1133V48.9Very low54.9Low60 Ų6072.4 Ų72.436%0.36443%0.431SS..  trans-85.294.8-172.7-176.30000112.9E1131 T1135E1131-V1133 HydrophobicContact CB-CG2 3.63Å; E1131-V1133 VanDerWaalsContact OE2-CG2 3.27Å; E1131-V1133 WeakPolarHBondContact OE2-CG2 3.29Å; V1133-T1135 HydrophobicContact CG1-CG2 3.67Å; V1133-T1135 PolarHBondContact O-N 3.15Å
1134T54.3Low54.9Low108 Ų10873.1 Ų73.166%0.66343%0.434SS*.  trans-90.488.5174.2-61.30000112.2E1132E1132-T1134 PolarHBondContact O-N 3.31Å
1135T48.1Very low55.1Low48 Ų4874.2 Ų74.229%0.29445%0.446SS..  trans-99.7141.9-179.547.80000114.8V1133V1133-T1135 HydrophobicContact CG1-CG2 3.67Å; V1133-T1135 PolarHBondContact O-N 3.15Å
1136V62.6Low55.1Low114 Ų11475.3 Ų75.369%0.69145%0.452SS*.  trans-11895.7170-177.70000108.9A1138V1136-A1138 PolarHBondContact O-N 3.19Å
1137P54.2Low54.7Low59 Ų5974.2 Ų74.238%0.38345%0.449SS..PPolyproline II helixtrans-70.2127-169.925.3-33.8000112.9V1163 A1165P1137-V1163 WeakPolarHBondContact CG-O 3.31Å; P1137-A1165 HydrophobicContact CG-CB 4.49Å
1138A65.3Low54.2Low33 Ų3374.6 Ų74.627%0.27346%0.456SS..PPolyproline II helixtrans-72.7143.9163.300000109.9V1136V1136-A1138 PolarHBondContact O-N 3.19Å
1139P72.2Confident54.3Low90 Ų9075.6 Ų75.658%0.58446%0.457SS*.PPolyproline II helixtrans-67.1128.5-179.127.1-34000111
1140P65.2Low54.1Low68 Ų6875.4 Ų75.444%0.44246%0.458SS..PPolyproline II helixtrans-77.9161.9-173.530.2-34.3000113.5P1168P1140-P1168 HydrophobicContact CG-CG 4.22Å
1141P61.2Low54Low33 Ų3374.1 Ų74.121%0.21444%0.444CS..PPolyproline II helixtrans-65.4172.7172.129-36.1000112.6P1113P1113-P1141 HydrophobicContact CG-CG 4.26Å
1142A54.3Low53.7Low59 Ų5971.5 Ų71.549%0.48844%0.436SS..SBendtrans-80.8-23.2-154.700000116.4
1143D50.3Low53.9Low112 Ų11268.9 Ų68.960%0.59942%0.424SS*.EExtended strand (participates in β ladder)trans-135.9113.3-170.9-63.3-95000109.3
1144V45Very low54.3Low57 Ų5767.7 Ų67.735%0.34542%0.417SS..EExtended strand (participates in β ladder)trans-138.5139.8-179.7-173.50000110.2V1146V1144-V1146 HydrophobicContact CG1-CG2 4.02Å
1145S52.1Low54.1Low79 Ų7965.5 Ų65.555%0.55240%0.404SS*.EExtended strand (participates in β ladder)trans-125.8129.8173.7-61.60000109.4
1146V48Very low54.3Low73 Ų7365 Ų6544%0.44240%0.401SS..EExtended strand (participates in β ladder)trans-127.3137.6-177.3-173.70000109.3V1144V1144-V1146 HydrophobicContact CG1-CG2 4.02Å
1147I47.7Very low53.8Low85 Ų8563.2 Ų63.244%0.43639%0.394SS..EExtended strand (participates in β ladder)trans-131.4131170.2-56.4174.1000105.4
1148A46.3Very low53.8Low43 Ų4365.8 Ų65.836%0.35540%0.4SS..EExtended strand (participates in β ladder)trans-142120.2-179.500000110.1
1149D52Low53.3Low85 Ų8571.6 Ų71.646%0.45542%0.422SS..  trans-120.282.2-179.9-67.311.8000107.1
1150S46.5Very low52.2Low36 Ų3670.6 Ų70.625%0.25241%0.414SS..  trans-151.5123.5-176.7-71.90000113.6S1123 S1177S1123-S1150 PolarHBondContact N-OG 3.03Å; S1123-S1150 VanDerWaalsContact N-OG 3.15Å; S1123-S1150 WeakPolarHBondContact O-CB 3.25Å; S1123-S1150 PolarHBondContact O-OG 3.31Å; S1150-S1177 PolarHBondContact N-OG 3.15Å; S1150-S1177 WeakPolarHBondContact O-CB 3.37Å; S1150-S1177 PolarHBondContact O-OG 2.93Å
1151I49.2Very low51.6Low54 Ų5472.6 Ų72.628%0.27743%0.425SS..  trans-110.8115.6-173.8-72.5175.2000110.1I1124 I1178I1124-I1151 HydrophobicContact CD1-CB 4.17Å; I1124-I1151 VanDerWaalsContact CG1-O 3.31Å; I1124-I1151 WeakPolarHBondContact CG1-O 3.34Å; I1124-I1151 WeakPolarHBondContact CG2-O 3.4Å; I1151-I1178 HydrophobicContact CD1-CB 4.01Å; I1151-I1178 HydrophobicContact CG1-CB 4.47Å; I1151-I1178 WeakPolarHBondContact CG1-O 3.23Å; I1151-I1178 WeakPolarHBondContact CG2-O 3.26Å
1152P49.6Very low51Low47 Ų4773.7 Ų73.731%0.30543%0.431SS..  trans-78.9119.5170.829.9-31.4000111.2T1154P1152-T1154 VanDerWaalsContact C-N 3.3Å; P1152-T1154 PolarHBondContact O-N 3.03Å
1153E58.7Low51.3Low104 Ų10476.3 Ų76.349%0.48644%0.441SS..SBendtrans-78.5-6.9177-76.5-162.5-166.300113.8T1181E1153-T1181 VanDerWaalsContact O-CG2 3.26Å; E1153-T1181 WeakPolarHBondContact O-CG2 3.5Å
1154T57.3Low51.5Low35 Ų3574.1 Ų74.122%0.21543%0.433CS..SBendtrans-134.1148.6-178.862.30000113.2E1126 P1128 P1152 V1156 T1181E1126-T1154 WeakPolarHBondContact O-CG2 3.37Å; P1128-T1154 WeakPolarHBondContact CD-OG1 3.25Å; P1152-T1154 VanDerWaalsContact C-N 3.3Å; P1152-T1154 PolarHBondContact O-N 3.03Å; T1154-V1156 PolarHBondContact O-N 3.4Å; T1154-T1181 VanDerWaalsContact C-OG1 3.28Å; T1154-T1181 WeakPolarHBondContact CA-OG1 3.37Å
1155P51.2Low52.4Low62 Ų6273 Ų7340%0.40343%0.43SS..  trans-79.8116.6-171.730.6-33.9000111.6P1128 T1181 P1182P1128-P1155 WeakPolarHBondContact CB-O 3.11Å; P1155-T1181 WeakPolarHBondContact CD-OG1 3.3Å; P1155-P1182 WeakPolarHBondContact CB-O 2.91Å
1156V52.1Low53.3Low38 Ų3873.8 Ų73.823%0.2343%0.433CS..  trans-78.4152.2171.1-167.90000109.5T1154 E1158T1154-V1156 PolarHBondContact O-N 3.4Å; V1156-E1158 HydrophobicContact CG1-CG 3.62Å
1157S51.6Low54.1Low76 Ų7673.4 Ų73.453%0.53143%0.432SS..  trans-126.696172.863.60000110.6
1158E54Low54.8Low112 Ų11270.8 Ų70.852%0.52342%0.42SS..  trans-104133.8-176-51.9-176.2-176.400112.3V1156 V1160V1156-E1158 HydrophobicContact CG1-CG 3.62Å; E1158-V1160 HydrophobicContact CB-CG2 3.61Å; E1158-V1160 WeakPolarHBondContact OE2-CG2 3.38Å
1159E55.5Low55.3Low156 Ų15671.6 Ų71.673%0.72943%0.427SS*.  trans-97.777.4165.2-84.6-160.2-170.600111T1161E1159-T1161 PolarHBondContact O-N 3.26Å; E1159-T1161 VanDerWaalsContact O-N 3.13Å
1160V48.4Very low55.2Low68 Ų6871.2 Ų71.241%0.41243%0.425SS..  trans-80.893.8-173.2-175.40000113.1E1158 T1162E1158-V1160 HydrophobicContact CB-CG2 3.61Å; E1158-V1160 WeakPolarHBondContact OE2-CG2 3.38Å; V1160-T1162 HydrophobicContact CG1-CG2 3.65Å; V1160-T1162 PolarHBondContact O-N 3.08Å
1161T52.4Low55.3Low110 Ų11072 Ų7268%0.67543%0.428SS*.  trans-9079.5175.4-59.40000112.5E1159E1159-T1161 PolarHBondContact O-N 3.26Å; E1159-T1161 VanDerWaalsContact O-N 3.13Å
1162T48.3Very low55.6Low57 Ų5772.7 Ų72.735%0.3544%0.438SS..  trans-90.4141.6-179.847.40000114.8V1160V1160-T1162 HydrophobicContact CG1-CG2 3.65Å; V1160-T1162 PolarHBondContact O-N 3.08Å
1163V61.1Low55.6Low114 Ų11473.4 Ų73.469%0.69144%0.441SS*.  trans-11697.1168.7-178.10000108.9P1137 A1165P1137-V1163 WeakPolarHBondContact CG-O 3.31Å; V1163-A1165 PolarHBondContact O-N 3.41Å
1164P53.8Low55.1Low65 Ų6571.8 Ų71.842%0.42244%0.435SS..PPolyproline II helixtrans-70.3126.1-168.824.8-33.6000113.3V1190 A1192P1164-V1190 WeakPolarHBondContact CG-O 3.5Å; P1164-A1192 HydrophobicContact CG-CB 4.49Å
1165A64.2Low54.7Low35 Ų3571.9 Ų71.929%0.28944%0.44SS..PPolyproline II helixtrans-72.5148.1161.600000110.1P1137 V1163P1137-A1165 HydrophobicContact CG-CB 4.49Å; V1163-A1165 PolarHBondContact O-N 3.41Å
1166P72Confident54.8Low95 Ų9572.5 Ų72.562%0.61744%0.44SS*.PPolyproline II helixtrans-68.1134.5-179.427.8-34.3000111.4
1167P65Low54.6Low64 Ų6472.3 Ų72.342%0.41644%0.44SS..PPolyproline II helixtrans-76.3160-173.430.5-36.9000114.1P1195P1167-P1195 HydrophobicContact CG-CG 4.25Å
1168P60.7Low54.5Low30 Ų3071.3 Ų71.320%0.19543%0.428CS..  trans-67.5176.1167.530.5-35.7000112.1P1140 P1195P1140-P1168 HydrophobicContact CG-CG 4.22Å; P1168-P1195 WeakPolarHBondContact O-CB 3.41Å
1169A57.1Low54.3Low60 Ų6068 Ų6850%0.49642%0.416SS..SBendtrans-82.5-29.6-156.400000115.9
1170D51.6Low54.5Low77 Ų7765.2 Ų65.241%0.41240%0.403SS..EExtended strand (participates in β ladder)trans-139120.7-169.9-65.9-84.6000109.7
1171V47.5Very low54.9Low52 Ų5263.8 Ų63.832%0.31540%0.395SS..EExtended strand (participates in β ladder)trans-140.4139.5-178.6-172.80000110V1173V1171-V1173 HydrophobicContact CG1-CG2 3.98Å
1172S55.4Low54.8Low69 Ų6961.5 Ų61.548%0.48338%0.382SS..EExtended strand (participates in β ladder)trans-124.7129.3174.2-59.70000109.6
1173V50Low55Low62 Ų6260.5 Ų60.538%0.37638%0.375SS..EExtended strand (participates in β ladder)trans-128.3134.8-176.3-173.10000110.2V1171 S1199 I1201V1171-V1173 HydrophobicContact CG1-CG2 3.98Å; V1173-S1199 PolarHBondContact N-O 2.75Å; V1173-I1201 PolarHBondContact O-N 3.49Å
1174I48.3Very low54.6Low71 Ų7158.8 Ų58.836%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-128.4125.4171.3-54.4-179.7000106I1201I1174-I1201 HydrophobicContact CB-CB 4.43Å; I1174-I1201 HydrophobicContact CD1-CD1 4.31Å; I1174-I1201 HydrophobicContact CG1-CB 4.21Å; I1174-I1201 HydrophobicContact CG1-CD1 4.2Å; I1174-I1201 HydrophobicContact CG2-CB 4.22Å; I1174-I1201 HydrophobicContact CG2-CG2 3.9Å
1175A47.3Very low54.6Low37 Ų3761.1 Ų61.131%0.30637%0.374SS..EExtended strand (participates in β ladder)trans-141.5116.6178.600000110.2I1201A1175-I1201 PolarHBondContact N-O 3.22Å
1176D53.6Low54.1Low75 Ų7567.4 Ų67.440%0.40140%0.397SS..  trans-114.388.3176.4-712.7000106.8
1177S47.8Very low52.9Low34 Ų3466.5 Ų66.524%0.23839%0.39CS..  trans-152.1111.1-173.1-67.20000113S1150 S1204S1150-S1177 PolarHBondContact N-OG 3.15Å; S1150-S1177 WeakPolarHBondContact O-CB 3.37Å; S1150-S1177 PolarHBondContact O-OG 2.93Å; S1177-S1204 PolarHBondContact N-OG 2.83Å; S1177-S1204 WeakPolarHBondContact O-CB 3.34Å; S1177-S1204 PolarHBondContact O-OG 2.81Å
1178I51Low52.1Low54 Ų5469 Ų6928%0.27740%0.404SS..  trans-96.3114.5-178.6-73.9175.8000110.6I1151 E1180 I1205I1151-I1178 HydrophobicContact CD1-CB 4.01Å; I1151-I1178 HydrophobicContact CG1-CB 4.47Å; I1151-I1178 WeakPolarHBondContact CG1-O 3.23Å; I1151-I1178 WeakPolarHBondContact CG2-O 3.26Å; I1178-E1180 HydrophobicContact CG2-CG 4.49Å; I1178-I1205 HydrophobicContact CD1-CB 4.23Å; I1178-I1205 WeakPolarHBondContact CG1-O 3.17Å; I1178-I1205 WeakPolarHBondContact CG2-O 3.31Å
1179P49.9Very low51.5Low43 Ų4370.8 Ų70.828%0.27941%0.414SS..  trans-78.6120.1168.130.1-31.2000110.6
1180E59.1Low51.6Low97 Ų9773.3 Ų73.345%0.45342%0.424SS..  trans-79.2-18.5176.5-75.2-161.1-172.800113.3I1178 T1208I1178-E1180 HydrophobicContact CG2-CG 4.49Å; E1180-T1208 WeakPolarHBondContact O-CG2 3.36Å; E1180-T1208 PolarHBondContact O-OG1 3.03Å
1181T56.8Low51.7Low38 Ų3873 Ų7323%0.23343%0.425CS..SBendtrans-121.7149.2-175.959.10000113.7E1153 T1154 P1155 V1183 T1208E1153-T1181 VanDerWaalsContact O-CG2 3.26Å; E1153-T1181 WeakPolarHBondContact O-CG2 3.5Å; T1154-T1181 VanDerWaalsContact C-OG1 3.28Å; T1154-T1181 WeakPolarHBondContact CA-OG1 3.37Å; P1155-T1181 WeakPolarHBondContact CD-OG1 3.3Å; T1181-V1183 PolarHBondContact O-N 3.25Å; T1181-T1208 WeakPolarHBondContact CA-OG1 3.2Å
1182P50.5Low52.4Low62 Ų6272.2 Ų72.240%0.40343%0.425SS..  trans-78.8111.9-171.830.7-34.1000111.5P1155 T1208P1155-P1182 WeakPolarHBondContact CB-O 2.91Å; P1182-T1208 WeakPolarHBondContact CD-OG1 3.48Å
1183V52.1Low53.2Low36 Ų3673.8 Ų73.822%0.21843%0.433CS..  trans-74149.5170.2-167.40000109.7T1181 E1185T1181-V1183 PolarHBondContact O-N 3.25Å; V1183-E1185 HydrophobicContact CB-CG 4.49Å; V1183-E1185 HydrophobicContact CG1-CG 3.6Å
1184S52.7Low53.9Low79 Ų7973.8 Ų73.855%0.55244%0.435SS*.  trans-12592.7173.763.70000110.7
1185E53.3Low54.4Low114 Ų11471.9 Ų71.953%0.53343%0.427SS..  trans-100130.5-175.8-50.8-177.1-179.300112.6V1183 V1187V1183-E1185 HydrophobicContact CB-CG 4.49Å; V1183-E1185 HydrophobicContact CG1-CG 3.6Å; E1185-V1187 HydrophobicContact CB-CG2 3.57Å; E1185-V1187 HydrophobicContact CG-CG2 4.48Å; E1185-V1187 PolarHBondContact O-N 3.48Å; E1185-V1187 WeakPolarHBondContact OE2-CG2 3.4Å
1186E54.2Low55Low166 Ų16672.4 Ų72.478%0.77643%0.431SS*.  trans-94.971165.4-83.6-158.2-172.400111.3T1188E1186-T1188 PolarHBondContact O-N 2.73Å
1187V47.7Very low55Low76 Ų7669.1 Ų69.146%0.46141%0.414SS..  trans-74.690.6-173.9-173.70000113.4E1185 T1189E1185-V1187 HydrophobicContact CB-CG2 3.57Å; E1185-V1187 HydrophobicContact CG-CG2 4.48Å; E1185-V1187 PolarHBondContact O-N 3.48Å; E1185-V1187 WeakPolarHBondContact OE2-CG2 3.4Å; V1187-T1189 HydrophobicContact CG1-CG2 3.57Å; V1187-T1189 PolarHBondContact O-N 3.02Å
1188T48.4Very low55Low118 Ų11869.6 Ų69.672%0.72442%0.415SS*.  trans-87.377.5174.5-59.50000112.3E1186E1186-T1188 PolarHBondContact O-N 2.73Å
1189T47.7Very low55.3Low66 Ų6667.7 Ų67.741%0.40541%0.407SS..  trans-92.8141.8-179.446.70000114.7V1187V1187-T1189 HydrophobicContact CG1-CG2 3.57Å; V1187-T1189 PolarHBondContact O-N 3.02Å
1190V58Low55.3Low114 Ų11468.4 Ų68.469%0.69141%0.41SS*.  trans-113.297.7169-178.50000108.6P1164 A1192P1164-V1190 WeakPolarHBondContact CG-O 3.5Å; V1190-A1192 PolarHBondContact O-N 2.98Å
1191P54.8Low54.8Low69 Ų6965.7 Ų65.745%0.44840%0.398SS..PPolyproline II helixtrans-68.7122.7-167.923.7-33.1000113.1
1192A62.4Low54.4Low36 Ų3665.9 Ų65.930%0.29840%0.403SS..PPolyproline II helixtrans-69.5149.116000000109.9P1164 V1190P1164-A1192 HydrophobicContact CG-CB 4.49Å; V1190-A1192 PolarHBondContact O-N 2.98Å
1193P71.9Confident54.6Low102 Ų10265 Ų6566%0.66240%0.395SS*.PPolyproline II helixtrans-67.1135.6179.427.6-34.1000111.2
1194P64.8Low54.4Low63 Ų6364.9 Ų64.941%0.40940%0.396SS..PPolyproline II helixtrans-71.2160.1-175.528.9-36.1000113.3P1222P1194-P1222 HydrophobicContact CG-CG 4.28Å
1195P59.4Low54.4Low30 Ų3063.4 Ų63.420%0.19538%0.381CS..PPolyproline II helixtrans-69.9173.5170.432.2-32.3000111P1167 P1168 D1197 V1198P1167-P1195 HydrophobicContact CG-CG 4.25Å; P1168-P1195 WeakPolarHBondContact O-CB 3.41Å; P1195-D1197 PolarHBondContact O-N 3.36Å; P1195-V1198 HydrophobicContact CG-CG2 4.35Å
1196A58.6Low54.2Low48 Ų4859.9 Ų59.940%0.39737%0.368SS..SBendtrans-76-24-160.600000115F1416A1196-F1416 HydrophobicContact CB-CD1 4.07Å; A1196-F1416 HydrophobicContact CB-CE1 4.5Å
1197D53.8Low54.4Low7 Ų756.7 Ų56.74%0.03735%0.353CS..EExtended strand (participates in β ladder)trans-147.1130.3-172.5-63.2-100.4000110.2P1195 F1416 T1417 S1418P1195-D1197 PolarHBondContact O-N 3.36Å; D1197-F1416 WeakPolarHBondContact OD1-CE1 3.33Å; D1197-F1416 WeakPolarHBondContact OD2-CD1 3.35Å; D1197-F1416 VanDerWaalsContact OD2-CE1 3.28Å; D1197-F1416 WeakPolarHBondContact OD2-CE1 3.29Å; D1197-T1417 VanDerWaalsContact CG-CA 3.43Å; D1197-T1417 WeakPolarHBondContact OD1-CA 3.38Å; D1197-T1417 VanDerWaalsContact OD2-CA 3.23Å; D1197-T1417 WeakPolarHBondContact OD2-CA 3.27Å; D1197-T1417 PolarHBondContact OD2-N 2.69Å; D1197-S1418 WeakPolarHBondContact OD1-CB 3.48Å
1198V48.8Very low54.9Low44 Ų4455 Ų5527%0.26734%0.344SS..EExtended strand (participates in β ladder)trans-139.7146.3-175.1-172.80000110.6P1195 V1200P1195-V1198 HydrophobicContact CG-CG2 4.35Å; V1198-V1200 HydrophobicContact CG1-CG2 3.93Å
1199S56.2Low55.1Low14 Ų1452.3 Ų52.310%0.09833%0.328CS..EExtended strand (participates in β ladder)trans-134.6111.3-168.9-46.10000108.9V1173 N1419 I1420V1173-S1199 PolarHBondContact N-O 2.75Å; S1199-N1419 WeakPolarHBondContact OG-CA 3.24Å; S1199-I1420 WeakPolarHBondContact CB-O 3.45Å; S1199-I1420 PolarHBondContact OG-N 2.76Å; S1199-I1420 VanDerWaalsContact OG-N 3.14Å
1200V49.6Very low55.3Low58 Ų5850.7 Ų50.735%0.35232%0.318SS..EExtended strand (participates in β ladder)trans-126.8118.1-169.8-172.30000111.1V1198 P1421V1198-V1200 HydrophobicContact CG1-CG2 3.93Å; V1200-P1421 VanDerWaalsContact O-CA 3.32Å; V1200-P1421 WeakPolarHBondContact O-CA 3.25Å; V1200-P1421 WeakPolarHBondContact O-CB 3.41Å
1201I49.7Very low55Low40 Ų4049 Ų4921%0.20531%0.311CS..EExtended strand (participates in β ladder)trans-107126.3166.5-65.7-175.2000107.6V1173 I1174 A1175 S1422V1173-I1201 PolarHBondContact O-N 3.49Å; I1174-I1201 HydrophobicContact CB-CB 4.43Å; I1174-I1201 HydrophobicContact CD1-CD1 4.31Å; I1174-I1201 HydrophobicContact CG1-CB 4.21Å; I1174-I1201 HydrophobicContact CG1-CD1 4.2Å; I1174-I1201 HydrophobicContact CG2-CB 4.22Å; I1174-I1201 HydrophobicContact CG2-CG2 3.9Å; A1175-I1201 PolarHBondContact N-O 3.22Å; I1201-S1422 VanDerWaalsContact CG2-CB 3.43Å
1202A48.3Very low54.9Low41 Ų4151.2 Ų51.234%0.33932%0.315SS..EExtended strand (participates in β ladder)trans-149.3108175.100000109.7A1229A1202-A1229 WeakPolarHBondContact O-CA 3.37Å; A1202-A1229 WeakPolarHBondContact O-CB 3.37Å
1203D54Low54.5Low44 Ų4457.5 Ų57.524%0.23534%0.339CS..  trans-113.686.9175.6-70.5-33000107.7D1230 S1422D1203-D1230 WeakPolarHBondContact OD1-CB 3.33Å; D1203-D1230 PolarHBondContact OD1-N 3.37Å; D1203-S1422 PolarHBondContact OD2-OG 3.16Å; D1203-S1422 VanDerWaalsContact OD2-OG 3.05Å
1204S48.9Very low53.3Low34 Ų3456.1 Ų56.124%0.23833%0.328CS..  trans-150.7125.3-175-60.80000114.2S1177 S1231S1177-S1204 PolarHBondContact N-OG 2.83Å; S1177-S1204 WeakPolarHBondContact O-CB 3.34Å; S1177-S1204 PolarHBondContact O-OG 2.81Å; S1204-S1231 VanDerWaalsContact C-CB 3.4Å; S1204-S1231 WeakPolarHBondContact CA-OG 3.33Å; S1204-S1231 PolarHBondContact N-OG 3.29Å; S1204-S1231 WeakPolarHBondContact O-CB 3.29Å; S1204-S1231 PolarHBondContact O-OG 2.79Å
1205I51.4Low52.5Low47 Ų4758.8 Ų58.824%0.24134%0.344CS..  trans-96.5121.8173.7-67.2177.6000109.9I1178 E1207 S1231 I1232I1178-I1205 HydrophobicContact CD1-CB 4.23Å; I1178-I1205 WeakPolarHBondContact CG1-O 3.17Å; I1178-I1205 WeakPolarHBondContact CG2-O 3.31Å; I1205-E1207 HydrophobicContact CG2-CG 4.3Å; I1205-S1231 VanDerWaalsContact CG1-CB 3.44Å; I1205-S1231 WeakPolarHBondContact CG1-OG 3.24Å; I1205-S1231 PolarHBondContact N-OG 3.41Å; I1205-I1232 WeakPolarHBondContact CD1-O 3.45Å; I1205-I1232 WeakPolarHBondContact CG1-O 3.47Å; I1205-I1232 WeakPolarHBondContact CG2-O 3.43Å
1206P49.4Very low51.9Low40 Ų4061.1 Ų61.126%0.2636%0.357SS..  trans-77.7121.7158.830.2-29.8000109.7P1233P1206-P1233 HydrophobicContact CG-CB 4.4Å
1207E59.6Low51.8Low99 Ų9964.2 Ų64.246%0.46337%0.371SS..  trans-78.9-22176.8-76.4-155.9179.900112.9I1205 T1235I1205-E1207 HydrophobicContact CG2-CG 4.3Å; E1207-T1235 WeakPolarHBondContact O-CG2 3.42Å; E1207-T1235 PolarHBondContact O-OG1 3.2Å
1208T57.7Low51.9Low41 Ų4167.6 Ų67.625%0.25239%0.393SS..SBendtrans-117150.5-176.951.70000113.3E1180 T1181 P1182 V1210 T1235E1180-T1208 WeakPolarHBondContact O-CG2 3.36Å; E1180-T1208 PolarHBondContact O-OG1 3.03Å; T1181-T1208 WeakPolarHBondContact CA-OG1 3.2Å; P1182-T1208 WeakPolarHBondContact CD-OG1 3.48Å; T1208-V1210 PolarHBondContact O-N 2.99Å; T1208-T1235 WeakPolarHBondContact CA-OG1 3.23Å
1209P51.3Low52.4Low61 Ų6167.3 Ų67.340%0.39640%0.396SS..  trans-77.9111-172.630.4-34.2000111.5T1235P1209-T1235 WeakPolarHBondContact CD-OG1 3.48Å
1210V52.2Low53.2Low33 Ų3371.9 Ų71.920%0.243%0.425CS..  trans-70.4148.1169.6-167.90000109.8T1208 E1212T1208-V1210 PolarHBondContact O-N 2.99Å; V1210-E1212 HydrophobicContact CG1-CG 3.62Å
1211S52.3Low53.8Low78 Ų7872.5 Ų72.555%0.54543%0.43SS..  trans-12491.1174.763.50000110.9
1212E52.3Low54.2Low115 Ų11572.1 Ų72.154%0.53743%0.43SS..  trans-98.1128.7-176-50.9-179.3-178.800112.5V1210 V1214V1210-E1212 HydrophobicContact CG1-CG 3.62Å; E1212-V1214 HydrophobicContact CB-CG2 3.52Å; E1212-V1214 HydrophobicContact CG-CG2 4.43Å; E1212-V1214 PolarHBondContact O-N 2.85Å; E1212-V1214 WeakPolarHBondContact OE2-CG2 3.42Å
1213E54Low54.6Low169 Ų16971.2 Ų71.279%0.7942%0.423SS*.  trans-93.367.9166.3-81.6-157-171.100111.5T1215E1213-T1215 PolarHBondContact O-N 2.81Å
1214V46.8Very low54.5Low73 Ų7369.9 Ų69.944%0.44242%0.416SS..  trans-72.290.4-173.1-172.60000113.5E1212 T1216E1212-V1214 HydrophobicContact CB-CG2 3.52Å; E1212-V1214 HydrophobicContact CG-CG2 4.43Å; E1212-V1214 PolarHBondContact O-N 2.85Å; E1212-V1214 WeakPolarHBondContact OE2-CG2 3.42Å; V1214-T1216 HydrophobicContact CG1-CG2 3.55Å; V1214-T1216 PolarHBondContact O-N 3.3Å; V1214-T1216 VanDerWaalsContact O-N 3.16Å
1215T48Very low54.6Low119 Ų11970.9 Ų70.973%0.7342%0.421SS*.  trans-86.875.2175.6-58.70000112.4E1213E1213-T1215 PolarHBondContact O-N 2.81Å
1216T47.6Very low54.8Low78 Ų7868.8 Ų68.848%0.47941%0.41SS..  trans-91.3143.9-178.145.60000115.1V1214V1214-T1216 HydrophobicContact CG1-CG2 3.55Å; V1214-T1216 PolarHBondContact O-N 3.3Å; V1214-T1216 VanDerWaalsContact O-N 3.16Å
1217V56.3Low55Low113 Ų11370.7 Ų70.769%0.68542%0.421SS*.  trans-114.2103.3169.6-179.10000108.8A1219V1217-A1219 PolarHBondContact O-N 3.18Å
1218P56.2Low54.5Low78 Ų7866.2 Ų66.251%0.50640%0.4SS..PPolyproline II helixtrans-70.2119.6-166.824.2-33.5000113.5
1219A59.5Low54.1Low39 Ų3966.6 Ų66.632%0.32241%0.407SS..PPolyproline II helixtrans-72.8150.616000000110.1V1217V1217-A1219 PolarHBondContact O-N 3.18Å
1220P71.7Confident54.2Low109 Ų10965.7 Ų65.771%0.70840%0.399SS*.PPolyproline II helixtrans-69.3136.2-179.628.4-34.4000111.4
1221P63.2Low53.9Low71 Ų7166.3 Ų66.346%0.46141%0.405SS..PPolyproline II helixtrans-70.7153.1-176.628.7-35.5000112.7
1222P57.4Low53.9Low32 Ų3264.1 Ų64.121%0.20839%0.387CS..PPolyproline II helixtrans-67.6168.5167.531.2-32.7000110.7P1194 V1225P1194-P1222 HydrophobicContact CG-CG 4.28Å; P1222-V1225 HydrophobicContact CG-CG2 4.24Å
1223A56.4Low53.6Low23 Ų2361.1 Ų61.119%0.1938%0.377CS..SBendtrans-80.8155.8171.500000110.2S138S138-A1223 VanDerWaalsContact OG-CB 3.3Å; S138-A1223 WeakPolarHBondContact OG-CB 3.44Å
1224D52.4Low53.8Low15 Ų1559.6 Ų59.68%0.0837%0.37CS..  trans64.248.7166.1-58.3-62.1000116H136 L137 N1419H136-D1224 IonicContact CE1-OD1 2.76Å; H136-D1224 IonicContact CG-OD1 2.6Å; H136-D1224 IonicContact ND1-OD1 3.85Å; H136-D1224 PolarHBondContact ND1-OD1 3.2Å; L137-D1224 WeakPolarHBondContact CA-OD1 3.3Å; L137-D1224 WeakPolarHBondContact CD1-OD2 3.49Å; L137-D1224 PolarHBondContact N-OD1 2.97Å; D1224-N1419 PolarHBondContact O-ND2 3.36Å
1225V50.3Low54.2Low56 Ų5658.2 Ų58.234%0.33936%0.362SS..  trans-82.2138.2163.1-169.40000109.7P1222 V1227P1222-V1225 HydrophobicContact CG-CG2 4.24Å; V1225-V1227 HydrophobicContact CG1-CG2 3.71Å
1226S56.2Low54.5Low2 Ų255.4 Ų55.41%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-121.6132.415748.70000111N135 N1419 P1421N135-S1226 VanDerWaalsContact ND2-CB 3.3Å; N135-S1226 WeakPolarHBondContact ND2-CB 3.42Å; N135-S1226 PolarHBondContact ND2-OG 3.07Å; N135-S1226 VanDerWaalsContact ND2-OG 3.07Å; S1226-N1419 PolarHBondContact OG-OD1 3.36Å; S1226-P1421 WeakPolarHBondContact O-CB 3.25Å; S1226-P1421 WeakPolarHBondContact O-CD 3.16Å; S1226-P1421 WeakPolarHBondContact O-CG 3.26Å; S1226-P1421 VanDerWaalsContact OG-CD 3.24Å; S1226-P1421 WeakPolarHBondContact OG-CD 3.46Å
1227V53.5Low54.7Low80 Ų8053.5 Ų53.549%0.48533%0.334SS..EExtended strand (participates in β ladder)trans-129136.6179.5-173.10000107.9V1225V1225-V1227 HydrophobicContact CG1-CG2 3.71Å
1228I50.4Low54.5Low5 Ų552.1 Ų52.13%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-153.2137.6172.4-46.4168.2000105.5I1255 P1421 S1422 N1423I1228-I1255 HydrophobicContact CG2-CB 4.04Å; I1228-I1255 VanDerWaalsContact CG2-O 3.23Å; I1228-I1255 WeakPolarHBondContact CG2-O 3.24Å; I1228-P1421 HydrophobicContact CB-CB 4.29Å; I1228-P1421 HydrophobicContact CB-CG 4.04Å; I1228-P1421 HydrophobicContact CD1-CG 3.82Å; I1228-P1421 HydrophobicContact CG1-CB 4.38Å; I1228-P1421 HydrophobicContact CG1-CG 3.6Å; I1228-S1422 CarbonylContact C-O 3.57Å; I1228-S1422 WeakPolarHBondContact CB-O 3.46Å; I1228-S1422 WeakPolarHBondContact CG2-O 3.33Å; I1228-S1422 VanDerWaalsContact O-O 3.07Å; I1228-N1423 HydrophobicContact CD1-CB 4.19Å; I1228-N1423 VanDerWaalsContact CD1-ND2 3.33Å; I1228-N1423 WeakPolarHBondContact CD1-ND2 3.46Å; I1228-N1423 HydrophobicContact CG2-CB 4.4Å
1229A48.7Very low54.2Low50 Ų5054.7 Ų54.741%0.41334%0.335SS..  trans-156.1138.3-169.300000109.9A1202A1202-A1229 WeakPolarHBondContact O-CA 3.37Å; A1202-A1229 WeakPolarHBondContact O-CB 3.37Å
1230D52.4Low53.9Low41 Ų4161.4 Ų61.422%0.21936%0.359CS..  trans-116.766-164.3-59.2-32.3000113.3D1203 N1423 R1424 N1425D1203-D1230 WeakPolarHBondContact OD1-CB 3.33Å; D1203-D1230 PolarHBondContact OD1-N 3.37Å; D1230-N1423 VanDerWaalsContact OD2-C 3.27Å; D1230-R1424 WeakPolarHBondContact OD1-CA 3.2Å; D1230-R1424 PolarHBondContact OD1-N 3.42Å; D1230-R1424 VanDerWaalsContact OD2-C 3.23Å; D1230-R1424 WeakPolarHBondContact OD2-CA 3.23Å; D1230-R1424 PolarHBondContact OD2-N 3.08Å; D1230-N1425 PolarHBondContact OD1-N 3.34Å
1231S47Very low52.7Low46 Ų4660 Ų6032%0.32235%0.348SS..  trans-150.6140.1-171.1-740000115.1S1204 I1205S1204-S1231 VanDerWaalsContact C-CB 3.4Å; S1204-S1231 WeakPolarHBondContact CA-OG 3.33Å; S1204-S1231 PolarHBondContact N-OG 3.29Å; S1204-S1231 WeakPolarHBondContact O-CB 3.29Å; S1204-S1231 PolarHBondContact O-OG 2.79Å; I1205-S1231 VanDerWaalsContact CG1-CB 3.44Å; I1205-S1231 WeakPolarHBondContact CG1-OG 3.24Å; I1205-S1231 PolarHBondContact N-OG 3.41Å
1232I51Low51.9Low32 Ų3262.5 Ų62.516%0.16436%0.363CS..  trans-114.4125.7176.4-40.1163.1000108.9I1205 E1234 S1258 P1260I1205-I1232 WeakPolarHBondContact CD1-O 3.45Å; I1205-I1232 WeakPolarHBondContact CG1-O 3.47Å; I1205-I1232 WeakPolarHBondContact CG2-O 3.43Å; I1232-E1234 PolarHBondContact O-N 3.46Å; I1232-S1258 VanDerWaalsContact CG1-CB 3.48Å; I1232-P1260 HydrophobicContact CG2-CB 4.13Å
1233P47.1Very low51.5Low52 Ų5265.6 Ų65.634%0.33838%0.381SS..  trans-69.7124.216328.7-32.2000110.3P1206 T1235P1206-P1233 HydrophobicContact CG-CB 4.4Å; P1233-T1235 VanDerWaalsContact C-N 3.26Å; P1233-T1235 PolarHBondContact O-N 3.06Å
1234E57.1Low51.5Low138 Ų13869.9 Ų69.965%0.64541%0.405SS*.SBendtrans-78.3-5.6176-76.6-149.8173.800113.6I1232 T1262I1232-E1234 PolarHBondContact O-N 3.46Å; E1234-T1262 WeakPolarHBondContact O-CG2 3.2Å; E1234-T1262 PolarHBondContact O-OG1 3.2Å
1235T56.8Low51.7Low43 Ų4373.8 Ų73.826%0.26443%0.431SS..SBendtrans-128.1148.5179.556.70000112.9E1207 T1208 P1209 P1233 V1237E1207-T1235 WeakPolarHBondContact O-CG2 3.42Å; E1207-T1235 PolarHBondContact O-OG1 3.2Å; T1208-T1235 WeakPolarHBondContact CA-OG1 3.23Å; P1209-T1235 WeakPolarHBondContact CD-OG1 3.48Å; P1233-T1235 VanDerWaalsContact C-N 3.26Å; P1233-T1235 PolarHBondContact O-N 3.06Å; T1235-V1237 PolarHBondContact O-N 3.43Å
1236P52.7Low52.1Low61 Ų6173.7 Ų73.740%0.39644%0.436SS..  trans-76.9112.5-175.729.7-34.4000111.9
1237V51.5Low52.8Low37 Ų3778 Ų7822%0.22446%0.464CS..  trans-67.4146169.1-178.20000110.3T1235 E1239T1235-V1237 PolarHBondContact O-N 3.43Å; V1237-E1239 HydrophobicContact CG1-CG 3.98Å
1238S52.1Low53.2Low85 Ų8578.1 Ų78.159%0.59447%0.466SS*.  trans-116.189.5175.362.60000111.3
1239E51.4Low53.4Low132 Ų13280 Ų8062%0.61748%0.479SS*.  trans-94.8118.2-174.2-100.3172.5-120.400113.2V1237 V1241V1237-E1239 HydrophobicContact CG1-CG 3.98Å; E1239-V1241 HydrophobicContact CB-CG2 3.9Å; E1239-V1241 HydrophobicContact CG-CG2 3.9Å; E1239-V1241 PolarHBondContact O-N 3.2Å; E1239-V1241 VanDerWaalsContact OE2-CG2 3.26Å; E1239-V1241 WeakPolarHBondContact OE2-CG2 3.24Å
1240E52.8Low53.7Low179 Ų17979.3 Ų79.384%0.83647%0.473SS*.  trans-91.360.7165.9-81.8-150.2170.700111.9T1242E1240-T1242 PolarHBondContact O-N 2.93Å; E1240-T1242 VanDerWaalsContact O-N 3.07Å
1241V46Very low53.6Low79 Ų7981.4 Ų81.448%0.47948%0.484SS..  trans-73.4102-174.2171.30000113.2E1239 T1243E1239-V1241 HydrophobicContact CB-CG2 3.9Å; E1239-V1241 HydrophobicContact CG-CG2 3.9Å; E1239-V1241 PolarHBondContact O-N 3.2Å; E1239-V1241 VanDerWaalsContact OE2-CG2 3.26Å; E1239-V1241 WeakPolarHBondContact OE2-CG2 3.24Å; V1241-T1243 HydrophobicContact CG1-CG2 3.49Å; V1241-T1243 VanDerWaalsContact CG1-CG2 3.49Å; V1241-T1243 PolarHBondContact O-N 3.19Å
1242T47.7Very low53.7Low125 Ų12583.2 Ų83.277%0.76749%0.493SS*.  trans-93.574.3176.9-59.10000112.1E1240E1240-T1242 PolarHBondContact O-N 2.93Å; E1240-T1242 VanDerWaalsContact O-N 3.07Å
1243T48Very low53.9Low97 Ų9783.2 Ų83.260%0.59550%0.496SS*.  trans-89.9148.4-177.245.20000115.3V1241V1241-T1243 HydrophobicContact CG1-CG2 3.49Å; V1241-T1243 VanDerWaalsContact CG1-CG2 3.49Å; V1241-T1243 PolarHBondContact O-N 3.19Å
1244V56.3Low54.3Low112 Ų11286 Ų8668%0.67951%0.512SS*.  trans-114.7117169.6-179.70000109A1246V1244-A1246 PolarHBondContact O-N 2.73Å
1245P56.7Low54Low98 Ų9881.1 Ų81.164%0.63649%0.49SS*.PPolyproline II helixtrans-72120.1-166.425.6-34.4000113.6
1246A58.3Low53.6Low53 Ų5381.5 Ų81.544%0.43850%0.497SS..PPolyproline II helixtrans-81.8154.4161.900000110.6V1244V1244-A1246 PolarHBondContact O-N 2.73Å
1247P70.6Confident53.6Low94 Ų9479.8 Ų79.861%0.6149%0.485SS*.PPolyproline II helixtrans-70.3139.9178.829-34.7000111.7
1248P62Low53.2Low82 Ų8279.9 Ų79.953%0.53249%0.487SS..PPolyproline II helixtrans-69.4146.1-176.728.2-35.3000112.5
1249P55.4Low53Low44 Ų4477.1 Ų77.129%0.28647%0.466SS..PPolyproline II helixtrans-67.6156.6163.931.6-34.3000110.4V1252P1249-V1252 HydrophobicContact CG-CG2 4.34Å
1250A55.1Low52.6Low35 Ų3573.9 Ų73.929%0.28946%0.456SS..SBendtrans-85.3143.2176.700000112L137L137-A1250 PolarHBondContact N-O 3.28Å
1251D50.1Low52.6Low86 Ų8670.3 Ų70.346%0.4644%0.439SS..  trans63.366.6173-47-74.3000116.5H136 L137H136-D1251 PolarHBondContact N-O 3.13Å; H136-D1251 VanDerWaalsContact N-O 3.13Å; L137-D1251 PolarHBondContact N-OD2 3.01Å
1252V50Low52.9Low84 Ų8468.7 Ų68.751%0.50943%0.429SS..  trans-84.9143.8167.5-175.20000110.2P1249 V1254P1249-V1252 HydrophobicContact CG-CG2 4.34Å; V1252-V1254 HydrophobicContact CG1-CG2 4.06Å
1253S55.4Low53.1Low32 Ų3266.1 Ų66.122%0.22442%0.415CS..  trans-129.898.9176.3-68.90000111.8N135N135-S1253 PolarHBondContact N-OG 3.08Å
1254V54.4Low53.2Low111 Ų11164 Ų6467%0.67340%0.402SS*.  trans-91.1137.9176.9-172.60000109.5V1252 A1256V1252-V1254 HydrophobicContact CG1-CG2 4.06Å; V1254-A1256 HydrophobicContact CG1-CB 4.5Å
1255I50.2Low53Low34 Ų3463.6 Ų63.617%0.17440%0.404CS..  trans-129.7104.2172-72.9171.7000106.4I1228 N1423 R1424 N1425I1228-I1255 HydrophobicContact CG2-CB 4.04Å; I1228-I1255 VanDerWaalsContact CG2-O 3.23Å; I1228-I1255 WeakPolarHBondContact CG2-O 3.24Å; I1255-N1423 VanDerWaalsContact CD1-ND2 3.34Å; I1255-N1423 WeakPolarHBondContact CD1-ND2 3.5Å; I1255-R1424 HydrophobicContact CG2-CG 4.32Å; I1255-N1425 WeakPolarHBondContact CG2-OD1 3.33Å
1256A50.1Low52.6Low51 Ų5165.9 Ų65.942%0.42141%0.406SS..  trans-141.5125.1175.300000108.9V1254V1254-A1256 HydrophobicContact CG1-CB 4.5Å
1257D50.6Low52.2Low26 Ų2672.5 Ų72.514%0.13943%0.428CS..  trans-115.3-177145.4-57.3-70.7000105.9A1283 D1284 N1425 I1426D1257-A1283 WeakPolarHBondContact OD1-CA 3.23Å; D1257-D1284 PolarHBondContact OD1-N 3.21Å; D1257-N1425 HydrophobicContact CB-CB 3.73Å; D1257-N1425 PolarHBondContact N-OD1 2.84Å; D1257-N1425 WeakPolarHBondContact O-CA 3.47Å; D1257-N1425 WeakPolarHBondContact OD2-CB 3.43Å; D1257-N1425 PolarHBondContact OD2-ND2 3.36Å; D1257-I1426 HydrophobicContact CB-CG1 3.85Å; D1257-I1426 PolarHBondContact O-N 3.04Å
1258S44.9Very low51.1Low39 Ų3972.1 Ų72.127%0.27342%0.423SS..  trans94.9138-166.5-600000111.5I1232 I1426 N1427I1232-S1258 VanDerWaalsContact CG1-CB 3.48Å; S1258-I1426 PolarHBondContact OG-N 3.02Å; S1258-N1427 PolarHBondContact OG-N 2.77Å
1259I47.7Very low50.3Low27 Ų2774.9 Ų74.914%0.13844%0.439CS..  trans-137.6125.7-153.6-53.8156000108.1E1261 S1285 P1287 N1427I1259-E1261 PolarHBondContact O-N 2.76Å; I1259-S1285 WeakPolarHBondContact CD1-O 3.43Å; I1259-P1287 HydrophobicContact CG2-CB 3.84Å; I1259-N1427 HydrophobicContact CD1-CB 4.22Å; I1259-N1427 WeakPolarHBondContact CD1-OD1 3.46Å
1260P43.3Very low49.9Very low63 Ų6377.7 Ų77.741%0.40946%0.456SS..  trans-65.2122.6173.726.5-32.9000110.8I1232 T1262I1232-P1260 HydrophobicContact CG2-CB 4.13Å; P1260-T1262 PolarHBondContact O-N 3.32Å
1261E52.3Low49.9Very low104 Ų10481.7 Ų81.749%0.48648%0.476SS..SBendtrans-75.6-4.8172.8-75.2-157.3-168.600112.7I1259 H1429 I1430I1259-E1261 PolarHBondContact O-N 2.76Å; E1261-H1429 WeakPolarHBondContact OE1-CA 3.48Å; E1261-H1429 PolarHBondContact OE1-N 2.71Å; E1261-I1430 PolarHBondContact OE1-N 3.27Å
1262T52.7Low50.2Low45 Ų4583 Ų8328%0.27649%0.489SS..SBendtrans-120.9138.6-178.857.20000113.1E1234 P1260 V1264E1234-T1262 WeakPolarHBondContact O-CG2 3.2Å; E1234-T1262 PolarHBondContact O-OG1 3.2Å; P1260-T1262 PolarHBondContact O-N 3.32Å; T1262-V1264 PolarHBondContact O-N 3.47Å
1263P51.5Low50.4Low71 Ų7182.2 Ų82.246%0.46149%0.492SS..  trans-74.4123.7177.730.3-33.9000112
1264V49.6Very low51.1Low53 Ų5386 Ų8632%0.32152%0.516SS..  trans-80.6150.1168.6-172.50000109.6T1262 E1266T1262-V1264 PolarHBondContact O-N 3.47Å; V1264-E1266 HydrophobicContact CG1-CG 3.77Å
1265S51.1Low51.4Low103 Ų10386 Ų8672%0.7252%0.518SS*.  trans-120.388.5175.761.10000111.2
1266E49.8Very low51.5Low146 Ų14687.9 Ų87.968%0.68253%0.532SS*.  trans-93.6131.4-178.7-50.8177.7171.900112.3V1264 V1268V1264-E1266 HydrophobicContact CG1-CG 3.77Å; E1266-V1268 HydrophobicContact CB-CG2 3.54Å; E1266-V1268 HydrophobicContact CG-CG2 4.4Å; E1266-V1268 PolarHBondContact O-N 3.06Å; E1266-V1268 WeakPolarHBondContact OE2-CG2 3.49Å
1267E50.1Low51.7Low192 Ų19289 Ų8990%0.89754%0.542SS*.  trans-93.362.6166.8-76.8-153.2175.500111.9T1269E1267-T1269 PolarHBondContact O-N 2.96Å; E1267-T1269 VanDerWaalsContact O-N 3.09Å
1268V45.7Very low51.5Low86 Ų8694.6 Ų94.652%0.52157%0.571SS.*  trans-68.6105.9-174.1-175.70000113.2E1266 T1270E1266-V1268 HydrophobicContact CB-CG2 3.54Å; E1266-V1268 HydrophobicContact CG-CG2 4.4Å; E1266-V1268 PolarHBondContact O-N 3.06Å; E1266-V1268 WeakPolarHBondContact OE2-CG2 3.49Å; V1268-T1270 HydrophobicContact CG1-CG2 3.4Å; V1268-T1270 PolarHBondContact O-N 3.21Å
1269T46.2Very low51.6Low140 Ų14097.6 Ų97.686%0.85959%0.588SS**  trans-9874.4175.3-57.70000112.1E1267E1267-T1269 PolarHBondContact O-N 2.96Å; E1267-T1269 VanDerWaalsContact O-N 3.09Å
1270T47.4Very low51.7Low103 Ų103101.2 Ų101.263%0.63262%0.615SS**  trans-95.6153.9-175.244.20000115.1V1268V1268-T1270 HydrophobicContact CG1-CG2 3.4Å; V1268-T1270 PolarHBondContact O-N 3.21Å
1271V54.3Low52.1Low120 Ų120103.7 Ų103.773%0.72763%0.629SS**  trans-119.6122.7171.7-179.70000108.9A1273V1271-A1273 PolarHBondContact O-N 3.18Å
1272P55.8Low51.7Low113 Ų113104 Ų10473%0.73463%0.633SS**PPolyproline II helixtrans-73124.3-16626.3-34.9000114.1
1273A55.7Low51.4Low68 Ų68104.9 Ų104.956%0.56265%0.645SS**PPolyproline II helixtrans-89.7157.3164.800000111V1271V1271-A1273 PolarHBondContact O-N 3.18Å
1274P69.2Low51.2Low112 Ų112105.7 Ų105.773%0.72765%0.645SS**PPolyproline II helixtrans-71.9143.3179.729.6-34.9000112.2
1275P61.7Low50.7Low109 Ų109106.3 Ų106.371%0.70865%0.652SS**PPolyproline II helixtrans-72143.9-177.729.1-35.3000112.7
1276P51.9Low50.3Low75 Ų75107.7 Ų107.749%0.48765%0.65SS.*PPolyproline II helixtrans-70.6169.5167.331.9-34.8000111.7V1279P1276-V1279 HydrophobicContact CG-CG2 4.16Å
1277A54.2Low49.7Very low74 Ų74104.2 Ų104.261%0.61264%0.64SS**SBendtrans-82.8155.9178.700000112.6V1279A1277-V1279 VanDerWaalsContact C-N 3.33Å; A1277-V1279 PolarHBondContact O-N 3.42Å; A1277-V1279 VanDerWaalsContact O-N 3.12Å
1278D46.6Very low49.4Very low143 Ų143102.2 Ų102.277%0.76563%0.631SS**  trans53.331.5161.1-58.1-7.1000118S1280D1278-S1280 PolarHBondContact O-N 2.91Å
1279V46.1Very low49.4Very low102 Ų102101.3 Ų101.362%0.61863%0.625SS**  trans-66.4122166-171.30000109.9P1276 A1277 V1281P1276-V1279 HydrophobicContact CG-CG2 4.16Å; A1277-V1279 VanDerWaalsContact C-N 3.33Å; A1277-V1279 PolarHBondContact O-N 3.42Å; A1277-V1279 VanDerWaalsContact O-N 3.12Å; V1279-V1281 HydrophobicContact CG1-CG2 3.94Å
1280S50.8Low49.4Very low103 Ų10398.2 Ų98.272%0.7261%0.608SS**  trans-119.183.9179.9320000111.3D1278D1278-S1280 PolarHBondContact O-N 2.91Å
1281V51Low49.3Very low116 Ų11696.5 Ų96.570%0.70360%0.597SS**  trans-75.7130.6175.5-172.10000109.9V1279V1279-V1281 HydrophobicContact CG1-CG2 3.94Å
1282I44.9Very low49.2Very low111 Ų11195.8 Ų95.857%0.56960%0.598SS**  trans-130.9102.7163.8-55.6179.5000106.3V1308I1282-V1308 HydrophobicContact CD1-CG1 4.08Å; I1282-V1308 HydrophobicContact CG1-CG1 4.16Å
1283A44.9Very low48.8Very low62 Ų6297.3 Ų97.351%0.51260%0.595SS.*  trans-124.5124167.500000107D1257D1257-A1283 WeakPolarHBondContact OD1-CA 3.23Å
1284D48.1Very low48.5Very low88 Ų88103.4 Ų103.447%0.47161%0.612SS.*  trans-111.7117.5-165.2-128.2-10.2000111.4D1257 N1427D1257-D1284 PolarHBondContact OD1-N 3.21Å; D1284-N1427 PolarHBondContact O-ND2 3.5Å
1285S40.1Very low47.4Very low67 Ų67102 Ų10247%0.46960%0.601SS.*SBendtrans89.679.8174.9-390000118.7I1259I1259-S1285 WeakPolarHBondContact CD1-O 3.43Å
1286I42.6Very low46.6Very low131 Ų131103.6 Ų103.667%0.67261%0.609SS**  41.3115.3122.3-51.5161.6000117.9
1287P36Very low46.4Very low74 Ų74105.3 Ų105.348%0.48162%0.618SS.*  trans-71.8138.8165.529.8-33.6000112.6I1259I1259-P1287 HydrophobicContact CG2-CB 3.84Å
1288E44.9Very low46.2Very low150 Ų150108 Ų10870%0.70163%0.626SS**SBendtrans-82.8-8.3175.3-72.7-166-172.100114.1H1429E1288-H1429 WeakPolarHBondContact CB-NE2 3.42Å; E1288-H1429 WeakPolarHBondContact CG-NE2 3.38Å; E1288-H1429 IonicContact OE1-CE1 3.55Å; E1288-H1429 PolarHBondContact OE1-CE1 3.05Å; E1288-H1429 IonicContact OE1-NE2 2.81Å; E1288-H1429 IonicContact OE2-CE1 3.92Å; E1288-H1429 IonicContact OE2-NE2 3.35Å
1289T45.8Very low46.7Very low66 Ų66107.4 Ų107.441%0.40563%0.63SS.*SBendtrans-107.6130.9-178.145.90000112.7V1291T1289-V1291 PolarHBondContact O-N 3.01Å
1290P45.8Very low47.1Very low76 Ų76106.4 Ų106.449%0.49463%0.633SS.*  trans-75.6122.6-178.130.1-34.1000112V1318P1290-V1318 HydrophobicContact CB-CG1 4.28Å
1291V44.4Very low48Very low66 Ų66107.2 Ų107.240%0.464%0.636SS.*  trans-73.6143.4167-177.60000109.3T1289 E1293T1289-V1291 PolarHBondContact O-N 3.01Å; V1291-E1293 HydrophobicContact CG1-CG 4.13Å
1292S51.9Low48.6Very low106 Ų106107.5 Ų107.574%0.74164%0.64SS**  trans-107.478.7177.159.40000111.4
1293E48.1Very low48.9Very low145 Ų145107.9 Ų107.968%0.67865%0.65SS**  trans-80.2119.8178.7-91.5178.5-151.800113.1V1291 V1295V1291-E1293 HydrophobicContact CG1-CG 4.13Å; E1293-V1295 VanDerWaalsContact C-N 3.28Å; E1293-V1295 HydrophobicContact CB-CG2 3.88Å; E1293-V1295 HydrophobicContact CG-CG2 3.89Å; E1293-V1295 PolarHBondContact O-N 3.08Å; E1293-V1295 VanDerWaalsContact OE2-CG2 3.27Å; E1293-V1295 WeakPolarHBondContact OE2-CG2 3.49Å
1294E50.5Low49.3Very low196 Ų196109.1 Ų109.192%0.91666%0.66SS**  trans-89.952.7162.8-78.5-141.6134.300111.9T1296E1294-T1296 PolarHBondContact O-N 3.38Å; E1294-T1296 VanDerWaalsContact O-N 3.1Å
1295V44.7Very low49.2Very low83 Ų83112.9 Ų112.950%0.50368%0.68SS.*  trans-69.3108.8-175.7166.40000112.7E1293 T1297E1293-V1295 VanDerWaalsContact C-N 3.28Å; E1293-V1295 HydrophobicContact CB-CG2 3.88Å; E1293-V1295 HydrophobicContact CG-CG2 3.89Å; E1293-V1295 PolarHBondContact O-N 3.08Å; E1293-V1295 VanDerWaalsContact OE2-CG2 3.27Å; E1293-V1295 WeakPolarHBondContact OE2-CG2 3.49Å; V1295-T1297 HydrophobicContact CG1-CG2 3.45Å; V1295-T1297 VanDerWaalsContact CG1-CG2 3.45Å; V1295-T1297 PolarHBondContact O-N 3.43Å
1296T46.4Very low49.4Very low141 Ų141115.8 Ų115.887%0.86570%0.695SS**  trans-95.376.2177.9-600000111.5E1294E1294-T1296 PolarHBondContact O-N 3.38Å; E1294-T1296 VanDerWaalsContact O-N 3.1Å
1297T46.3Very low49.5Very low111 Ų111114.2 Ų114.268%0.68170%0.695SS**  trans-104157.9-176.547.50000115.3V1295V1295-T1297 HydrophobicContact CG1-CG2 3.45Å; V1295-T1297 VanDerWaalsContact CG1-CG2 3.45Å; V1295-T1297 PolarHBondContact O-N 3.43Å
1298V50.2Low49.9Very low131 Ų131115.2 Ų115.279%0.79470%0.7SS**  trans-114.4128177.9-179.20000109.1A1300V1298-A1300 PolarHBondContact O-N 3.08Å
1299P57.5Low49.8Very low130 Ų130114.5 Ų114.584%0.84470%0.699SS**  trans-72.1129.6-164.625.9-35.3000114.6
1300A54.5Low49.1Very low82 Ų82114.4 Ų114.468%0.67871%0.705SS**  trans-109.2156168.800000111V1298V1298-A1300 PolarHBondContact O-N 3.08Å
1301P69.1Low48.8Very low120 Ų120118.4 Ų118.478%0.77972%0.723SS**  trans-79.6146.4-173.331.5-35.4000113.8
1302P64.7Low48.1Very low122 Ų122121 Ų12179%0.79274%0.743SS**  trans-80.2146.6-173.931.5-36.2000114.5
1303P49.4Very low47.5Very low119 Ų119122.6 Ų122.677%0.77374%0.742SS**  trans-79.6-175.7166.135-34.6000112.2
1304A54.7Low46.9Very low87 Ų87120.3 Ų120.372%0.71974%0.74SS**  trans-131143.6-163.600000116
1305D46.5Very low46.2Very low167 Ų167118.5 Ų118.589%0.89373%0.731SS**  trans43.971.2153.6-61-4.2000119.5
1306V42.4Very low45.9Very low129 Ų129120.6 Ų120.678%0.78275%0.745SS**  trans-128.8146.3148.4-178.20000108.8
1307S46Very low45.9Very low97 Ų97119.9 Ų119.968%0.67874%0.743SS**  trans-139116.9-161.961.60000115.5
1308V43.5Very low45.6Very low95 Ų95118.9 Ų118.958%0.57674%0.736SS**  trans-144.6122.1167.4178.50000103.9I1282I1282-V1308 HydrophobicContact CD1-CG1 4.08Å; I1282-V1308 HydrophobicContact CG1-CG1 4.16Å
1309I42.9Very low45.2Very low136 Ų136118 Ų11870%0.69774%0.736SS**  cis70.779.338.7-45.9170.6000110.5
1310A32.3Very low44.6Very low64 Ų64118 Ų11853%0.52973%0.725SS.*  -104.3158.671.500000117.3
1311D39.6Very low44.1Very low160 Ų160122.9 Ų122.986%0.85673%0.733SS**  trans-76.7131179-77-66.8000112.3
1312S29.6Very low42.7Very low120 Ų120121.2 Ų121.284%0.83972%0.72SS**  trans-67.6127-179.9-34.10000113.1
1313I39.5Very low41.6Very low140 Ų140121.6 Ų121.672%0.71872%0.721SS**  trans-135.7-143.7146-28.1172000109.7
1314P34.5Very low41.1Very low97 Ų97121 Ų12163%0.6372%0.715SS**  -80.9134.7-114.44.418.5000112.6
1315E34.8Very low40.7Very low157 Ų157123.6 Ų123.673%0.73472%0.722SS**  61.196.185.8-61.1178-176.700114.4
1316T40.3Very low40.5Very low128 Ų128121.1 Ų121.179%0.78572%0.715SS**  -139.8157.899.516.60000110.5
1317P44.9Very low41Very low126 Ų126119.7 Ų119.782%0.81872%0.717SS**  trans-85.1123.3-157.431-34.8000114.5
1318V41Very low41.6Very low90 Ų90121.1 Ų121.155%0.54572%0.724SS.*  trans-64.4149170.3172.60000111.7P1290 E1320P1290-V1318 HydrophobicContact CB-CG1 4.28Å; V1318-E1320 HydrophobicContact CG1-CB 4.19Å; V1318-E1320 HydrophobicContact CG1-CG 3.66Å
1319S42Very low41.8Very low112 Ų112122.7 Ų122.778%0.78374%0.736SS**  trans-11853174.768.30000112.9
1320E45.1Very low41.5Very low131 Ų131122.4 Ų122.461%0.61274%0.743SS**  trans-69130.5165.1-76.5169-178.200109.9V1318 V1322V1318-E1320 HydrophobicContact CG1-CB 4.19Å; V1318-E1320 HydrophobicContact CG1-CG 3.66Å; E1320-V1322 HydrophobicContact CB-CG2 3.51Å; E1320-V1322 HydrophobicContact CG-CG2 4.32Å; E1320-V1322 PolarHBondContact O-N 3.38Å; E1320-V1322 VanDerWaalsContact O-N 3.07Å; E1320-V1322 WeakPolarHBondContact OE2-CG2 3.12Å
1321E43Very low41.5Very low183 Ų183124.1 Ų124.186%0.85576%0.757SS**  trans-84.655.2169.2-165.2164.5-165.100110.5T1323E1321-T1323 PolarHBondContact O-N 2.66Å; E1321-T1323 PolarHBondContact O-OG1 3.26Å
1322V40.7Very low41.2Very low85 Ų85126.8 Ų126.852%0.51576%0.756SS.*  trans-62.3102.4-179.4-161.40000109.5E1320 T1324E1320-V1322 HydrophobicContact CB-CG2 3.51Å; E1320-V1322 HydrophobicContact CG-CG2 4.32Å; E1320-V1322 PolarHBondContact O-N 3.38Å; E1320-V1322 VanDerWaalsContact O-N 3.07Å; E1320-V1322 WeakPolarHBondContact OE2-CG2 3.12Å; V1322-T1324 HydrophobicContact CB-CG2 4.17Å; V1322-T1324 HydrophobicContact CG1-CG2 3.59Å; V1322-T1324 PolarHBondContact O-N 3.1Å; V1322-T1324 PolarHBondContact O-OG1 3.18Å
1323T41.5Very low41.3Very low130 Ų130127.6 Ų127.680%0.79876%0.756SS**  trans-75.866.9-179.8-62.80000109.8E1321E1321-T1323 PolarHBondContact O-N 2.66Å; E1321-T1323 PolarHBondContact O-OG1 3.26Å
1324T38.4Very low41.2Very low106 Ų106126.3 Ų126.365%0.6576%0.76SS**  trans-71.5137.3-175.442.80000112.5V1322V1322-T1324 HydrophobicContact CB-CG2 4.17Å; V1322-T1324 HydrophobicContact CG1-CG2 3.59Å; V1322-T1324 PolarHBondContact O-N 3.1Å; V1322-T1324 PolarHBondContact O-OG1 3.18Å
1325V46.9Very low41.8Very low143 Ų143126.2 Ų126.287%0.86776%0.761SS**  trans-100.3124.5165.5-172.90000107.3
1326P42.3Very low42.9Very low115 Ų115128.9 Ų128.975%0.74777%0.771SS**  -107.9165.9-124.538.1-40.6000122
1327A51.8Low43.5Very low99 Ų99126 Ų12682%0.81877%0.766SS**  trans-157.1168.9164.500000114.5
1328P59.7Low43.9Very low127 Ų127127.6 Ų127.683%0.82577%0.773SS**  trans-138.3144.7-165.339-20.2000121.5
1329P46.4Very low44Very low127 Ų127128.4 Ų128.483%0.82578%0.783SS**  trans-129.6169.9178.242.4-30.4000119.8
1330P38.3Very low43.9Very low131 Ų131130.1 Ų130.185%0.85178%0.783SS**  trans-138.7164.9178.442.4-26.3000119.6
1331A30.6Very low43.4Very low100 Ų100130.6 Ų130.683%0.82679%0.79SS**  trans-161-177-178.300000120.4
1332Y33.6Very low43Very low215 Ų215129.7 Ų129.784%0.84379%0.786SS**  trans89.7144.1155.4-111.5-87000125.9
1333V31.3Very low42.6Very low137 Ų137130.5 Ų130.583%0.8380%0.795SS**  trans-165178.8173.2870000115.6
1334S38.2Very low42.1Very low114 Ų114135.4 Ų135.480%0.79780%0.799SS**  trans-159.8-163.6-177.6-148.80000122.5
1335S47.9Very low41.9Very low95 Ų95136.3 Ų136.366%0.66480%0.804SS**  trans-135.7-172.7-137.467.60000121.5
1336F57.8Low41.3Very low213 Ų213133.8 Ų133.893%0.93479%0.792SS**  trans152.6167.1147.6-99.5-80000118.9
1337G51.5Low40.9Very low67 Ų67132.9 Ų132.969%0.69178%0.781SS**  trans-178.1161169.600000120.1
1338V53.3Low40.1Very low159 Ų159137 Ų13796%0.96478%0.776SS**  trans-154.5-176.9172.6-149.80000111.6
1339S43.4Very low39Very low108 Ų108139 Ų13976%0.75577%0.771SS**  trans-128163.9-161.360.60000119
1340N40Very low38.5Very low147 Ų147137.8 Ų137.879%0.78677%0.766SS**  trans94.4131.3153.2-120.9-7.6000123
1341L35.1Very low38.3Very low142 Ų142136.7 Ų136.774%0.74376%0.762SS**  trans55.9145.7160.3-11075.5000125.4
1342E34.3Very low38.4Very low164 Ų164135.6 Ų135.677%0.76676%0.76SS**  trans47.695.1155.3-70.5-167.2120.700122.9
1343S33Very low38.4Very low101 Ų101130.2 Ų130.271%0.70675%0.754SS**  83.8118.9120.183.60000120.6
1344R31.3Very low38.5Very low234 Ų234130 Ų13088%0.88375%0.747SS**  60.9142.6128.7-85-173.6175.5-176.60.2121.4
1345V34.3Very low38.2Very low124 Ų124131.1 Ų131.175%0.75274%0.743SS**  trans75.183.7150.8175.70000114.8
1346S34.1Very low37.4Very low90 Ų90132.5 Ų132.563%0.62974%0.743SS**  107.7127.2107.4-87.90000120
1347D33.9Very low36.1Very low96 Ų96132 Ų13251%0.51374%0.741SS.*  56.5105.6128.5-65.9-87.2000120
1348R35.2Very low35.3Very low187 Ų187131.8 Ų131.871%0.70674%0.74SS**  trans69.8164.3134.6-49.7167.8-144.9-176.79.7115
1349F35.9Very low34.4Very low167 Ų167128.9 Ų128.973%0.73273%0.726SS**  cis-114.6159.51.5-78.4-98.3000108.3
1350S35.9Very low34Very low103 Ų103132.9 Ų132.972%0.7273%0.73SS**  50.3145.860.3-81.10000112.2
1351S33.8Very low33.9Very low108 Ų108129.8 Ų129.876%0.75572%0.72SS**  cis-169.2128.8-7.141.20000107.7
1352G33.7Very low34.2Very low76 Ų76129.4 Ų129.478%0.78472%0.719SS**  trans-155.390.3179.400000107.7
1353S32.6Very low34.5Very low102 Ų102127 Ų12771%0.71372%0.716SS**  cis63124.145-1400000109.4
1354I33.6Very low34.8Very low134 Ų134127.8 Ų127.869%0.68772%0.716SS**  cis-155.3151.922.7-9.2175.1000110.2
1355N32.6Very low35.2Very low136 Ų136122.7 Ų122.773%0.72771%0.707SS**  trans59138149.7-63.1-17.3000119.6
1356N29.6Very low35.2Very low124 Ų124123.2 Ų123.266%0.66370%0.699SS**  cis80.6121.435.2-159.523.5000113.6
1357F31.6Very low35.2Very low202 Ų202127 Ų12789%0.88670%0.704SS**  trans65.8136.5177.8-76.6-91.7000120.5
1358G33.9Very low35.4Very low64 Ų64128.2 Ų128.266%0.6671%0.71SS**  trans122.278.815500000114.6
1359S35Very low35.4Very low97 Ų97124.5 Ų124.568%0.67871%0.708SS**  88.4147.26769.80000113.9
1360F34.9Very low35.5Very low193 Ų193123.4 Ų123.485%0.84671%0.71SS**  trans74.7132.7-176.6-59.1-81.5000114.8
1361S36.8Very low35.6Very low82 Ų82125.3 Ų125.357%0.57371%0.712SS**  cis-162.5160.2-16.3-136.20000110.9
1362D41.6Very low35.5Very low134 Ų134126.9 Ų126.972%0.71771%0.711SS**  trans66.5128.2150.8-53-5.2000117.6
1363T40.8Very low35.4Very low114 Ų114130 Ų13070%0.69971%0.71SS**  cis-159137.5-0.67.40000111.5
1364T40.7Very low35.2Very low116 Ų116132.6 Ų132.671%0.71271%0.714SS**  trans58138.1148.355.80000120.9
1365D39.3Very low35Very low128 Ų128130.8 Ų130.868%0.68471%0.714SS**  cis171.3163.5-15.6-100.43.6000104.2
1366F33.2Very low34.9Very low134 Ų134129.8 Ų129.859%0.58871%0.713SS**  cis-167158.9-24.3-111-42.8000104L1368F1366-L1368 HydrophobicContact CD1-CD1 4.03Å; F1366-L1368 HydrophobicContact CE1-CD1 3.72Å
1367F35.5Very low35.7Very low169 Ų169130.1 Ų130.174%0.74172%0.719SS**  cis-137154.317.6-71-76.6000108.2
1368L37.5Very low36.2Very low123 Ų123125.7 Ų125.764%0.64471%0.711SS**  53.994.567.8-62.4165.7000113F1366F1366-L1368 HydrophobicContact CD1-CD1 4.03Å; F1366-L1368 HydrophobicContact CE1-CD1 3.72Å
1369T35.6Very low36.3Very low108 Ų108128 Ų12866%0.66372%0.717SS**  70.8125.873.965.60000116.4
1370D38Very low37Very low144 Ų144129.4 Ų129.477%0.7772%0.721SS**  trans73.2142.6144.7-73.1-14000123.6
1371N37.2Very low37.6Very low143 Ų143125.5 Ų125.577%0.76572%0.715SS**  trans85.7136.3152.7-83.4-65.2000121.4
1372L31.1Very low37.9Very low141 Ų141128.1 Ų128.174%0.73872%0.722SS**  trans74.5109.2157.1-63.8158.3000119.7
1373L31.4Very low38Very low143 Ų143127.7 Ų127.775%0.74972%0.72SS**  64.6124.1129.9-64.9172.9000120.6
1374L29.2Very low38Very low155 Ų155128.8 Ų128.881%0.81272%0.721SS**  trans69.1133.6154.1-82.979.8000119
1375S28.7Very low37.9Very low96 Ų96129.1 Ų129.167%0.67172%0.719SS**  trans69.2105.2132.5177.50000120.7
1376T31.8Very low37.7Very low116 Ų116129.1 Ų129.171%0.71272%0.717SS**  75.5117.6126-46.50000119.7
1377V45.7Very low38.3Very low131 Ų131126.6 Ų126.679%0.79473%0.73SS**  trans29115.2142.1-174.30000117
1378P42.7Very low38.2Very low109 Ų109126 Ų12671%0.70873%0.727SS**  -158.4161.791.741-21.8000120.1
1379S35.5Very low37.9Very low112 Ų112124.6 Ų124.678%0.78373%0.727SS**  trans42.2141.9137.2-53.10000125.1
1380T48.8Very low37.8Very low127 Ų127128.2 Ų128.278%0.77973%0.729SS**  trans-65.8159.6157.7530000113.1
1381P48.8Very low37.6Very low110 Ų110131.5 Ų131.571%0.71473%0.73SS**  -143.3129.4108.636.2-20.6000112.9
1382L43.7Very low37.6Very low137 Ų137129.7 Ų129.772%0.71773%0.727SS**  91.9140.982.9-79.1172.1000114.6
1383D41.9Very low37.9Very low126 Ų126129.3 Ų129.367%0.67473%0.73SS**  trans68.4149.4147.8-58.6-20000118.4
1384D41.3Very low38.1Very low137 Ų137125.9 Ų125.973%0.73373%0.729SS**  cis-138146.926-118.7-33.4000117.5
1385D38.2Very low38.3Very low123 Ų123122 Ų12266%0.65873%0.727SS**  trans75.7111.2140.7-87.1-11000126.9
1386I36.4Very low38.6Very low127 Ų127124.4 Ų124.465%0.65173%0.731SS**  71.990.7126-62.3165.8000118.8F1388I1386-F1388 HydrophobicContact CG2-CD2 4.39Å
1387G44.7Very low38.7Very low82 Ų82125.3 Ų125.385%0.84573%0.729SS**  trans-130.443.5164.600000113.5
1388F33.6Very low38.2Very low156 Ų156126.7 Ų126.768%0.68473%0.725SS**  trans-38.2142.4-170.7-110.8-102.5000117.6I1386I1386-F1388 HydrophobicContact CG2-CD2 4.39Å
1389S32Very low37.8Very low94 Ų94125.8 Ų125.866%0.65772%0.721SS**  trans87.5143.8155-59.20000118.7
1390R33Very low37.8Very low183 Ų183127.4 Ų127.469%0.69172%0.719SS**  cis169.9155.8-22.6-112.6166.9-178.7-166.43.8106.5
1391R34.3Very low37.3Very low213 Ų213125.5 Ų125.580%0.80471%0.711SS**  trans77.6155.7143.5-83.1175.5178.2-139.4-5117.4
1392P37.8Very low36.8Very low106 Ų106126.3 Ų126.369%0.68871%0.709SS**  -142.6-147.8-116.636.4-10.9000112.2
1393V36.9Very low36.7Very low132 Ų132127.1 Ų127.180%0.871%0.709SS**  trans65.7104.2156.4171.50000114.7
1394G34.2Very low36.6Very low71 Ų71127 Ų12773%0.73271%0.713SS**  cis96164.3-3.600000115.9
1395G35.3Very low36.7Very low74 Ų74127.7 Ų127.776%0.76372%0.716SS**  trans93.4175.4-179.900000114.3
1396I34.6Very low36.9Very low147 Ų147128.2 Ų128.275%0.75472%0.719SS**  cis-161.61341.3-132.4164.4000110.2
1397I34Very low37.2Very low134 Ų134125.6 Ų125.669%0.68771%0.712SS**  trans60.3137.6146.7-69.3171000118.1
1398K34.6Very low37.1Very low161 Ų161128.6 Ų128.670%0.771%0.709SS**  cis-166.3137.4-6.8-100.3-177.7-167178.40104.9
1399S33.8Very low37.5Very low89 Ų89128 Ų12862%0.62271%0.708SS**  58.7146.972.488.30000115.8
1400I36.5Very low38.1Very low147 Ų147131.3 Ų131.375%0.75471%0.71SS**  trans88.8133.2166.5-57.3156000114.7
1401S37.6Very low38.5Very low87 Ų87129.2 Ų129.261%0.60872%0.718SS**  cis176.5154.9-26.6-117.90000111.2
1402N38.8Very low39Very low126 Ų126123.7 Ų123.767%0.67471%0.71SS**  trans64169.7149.7-54.815.9000117
1403E40.2Very low39.1Very low154 Ų154126.1 Ų126.172%0.7272%0.716SS**  cis-157.5139.512.6-140.7136-121.600111.3
1404V40.7Very low39.6Very low125 Ų125124.5 Ų124.576%0.75871%0.708SS**  54.9139.3125.1165.50000121.8
1405L42.6Very low40Very low151 Ų151127.5 Ų127.579%0.79171%0.712SS**  cis-149.2-136.1-14.7-101.2173.1000108.2
1406D43.3Very low40.4Very low134 Ų134128.8 Ų128.872%0.71770%0.697SS**  cis-177.1163.13.7-155.665.1000109
1407S42.3Very low40.8Very low71 Ų71125.6 Ų125.650%0.49769%0.685SS.*  cis-165170.8-39.5640000111.5
1408N43.2Very low41.4Very low146 Ų146123 Ų12378%0.78168%0.679SS**  trans82.1152170.3-50.1-60.1000119.1
1409E42.2Very low42.3Very low144 Ų144116.5 Ų116.567%0.67365%0.651SS**  cis-162.8150.94.3-131.1-169.1162.500114.7
1410K43.7Very low43.5Very low162 Ų162117.6 Ų117.670%0.70465%0.649SS**  trans73.389.2151.1-67.91611781460126.8
1411V41.5Very low43.5Very low139 Ų139111.1 Ų111.184%0.84262%0.616SS**  30.30105.4109.80000122.9
1412P46Very low44.4Very low98 Ų98108.3 Ų108.364%0.63660%0.597SS**  0-174.7048.4-29.2000120.8
1413L39.7Very low44.9Very low157 Ų157103 Ų10382%0.82257%0.568SS**  trans69.3157.7150.9-70.5166.8000123.7
1414P47.8Very low45.4Very low97 Ų9799.5 Ų99.563%0.6355%0.549SS*.  -148.8153.9-51.542.2-21.9000121
1415T41.9Very low45.4Very low135 Ų13595.2 Ų95.283%0.82852%0.522SS*.  trans60.9160.4142.7530000125.2
1416F43.2Very low45.3Very low100 Ų10093.4 Ų93.444%0.43951%0.511SS..  cis171.2155.1-25.6-165.426.6000113.5A1196 D1197A1196-F1416 HydrophobicContact CB-CD1 4.07Å; A1196-F1416 HydrophobicContact CB-CE1 4.5Å; D1197-F1416 WeakPolarHBondContact OD1-CE1 3.33Å; D1197-F1416 WeakPolarHBondContact OD2-CD1 3.35Å; D1197-F1416 VanDerWaalsContact OD2-CE1 3.28Å; D1197-F1416 WeakPolarHBondContact OD2-CE1 3.29Å
1417T44.1Very low45Very low81 Ų8189 Ų8950%0.49749%0.488SS..  trans87.5145.1157.162.40000126D1197D1197-T1417 VanDerWaalsContact CG-CA 3.43Å; D1197-T1417 WeakPolarHBondContact OD1-CA 3.38Å; D1197-T1417 VanDerWaalsContact OD2-CA 3.23Å; D1197-T1417 WeakPolarHBondContact OD2-CA 3.27Å; D1197-T1417 PolarHBondContact OD2-N 2.69Å
1418S45.8Very low45Very low80 Ų8091.6 Ų91.656%0.55950%0.495SS*.  cis174.3172-23.381.10000111.5D1197D1197-S1418 WeakPolarHBondContact OD1-CB 3.48Å
1419N52.7Low44.4Very low24 Ų2486.8 Ų86.813%0.12847%0.468CS..  cis-173173.2-5.8-149.3-106.6000110.7S1199 D1224 S1226S1199-N1419 WeakPolarHBondContact OG-CA 3.24Å; D1224-N1419 PolarHBondContact O-ND2 3.36Å; S1226-N1419 PolarHBondContact OG-OD1 3.36Å
1420I59.9Low44.3Very low111 Ų11185.7 Ų85.757%0.56947%0.465SS*.  trans136.3143.1146-71.8156.9000120.3S1199S1199-I1420 WeakPolarHBondContact CB-O 3.45Å; S1199-I1420 PolarHBondContact OG-N 2.76Å; S1199-I1420 VanDerWaalsContact OG-N 3.14Å
1421P36.9Very low43.8Very low11 Ų1182.5 Ų82.57%0.07146%0.463CS..  trans-115.4-175.3176.245.5-43.5000118.8V1200 S1226 I1228V1200-P1421 VanDerWaalsContact O-CA 3.32Å; V1200-P1421 WeakPolarHBondContact O-CA 3.25Å; V1200-P1421 WeakPolarHBondContact O-CB 3.41Å; S1226-P1421 WeakPolarHBondContact O-CB 3.25Å; S1226-P1421 WeakPolarHBondContact O-CD 3.16Å; S1226-P1421 WeakPolarHBondContact O-CG 3.26Å; S1226-P1421 VanDerWaalsContact OG-CD 3.24Å; S1226-P1421 WeakPolarHBondContact OG-CD 3.46Å; I1228-P1421 HydrophobicContact CB-CB 4.29Å; I1228-P1421 HydrophobicContact CB-CG 4.04Å; I1228-P1421 HydrophobicContact CD1-CG 3.82Å; I1228-P1421 HydrophobicContact CG1-CB 4.38Å; I1228-P1421 HydrophobicContact CG1-CG 3.6Å
1422S56.2Low43.9Very low29 Ų2979.1 Ų79.120%0.20346%0.456CS..  trans-105.2146.9-170.4-176.20000116I1201 D1203 I1228I1201-S1422 VanDerWaalsContact CG2-CB 3.43Å; D1203-S1422 PolarHBondContact OD2-OG 3.16Å; D1203-S1422 VanDerWaalsContact OD2-OG 3.05Å; I1228-S1422 CarbonylContact C-O 3.57Å; I1228-S1422 WeakPolarHBondContact CB-O 3.46Å; I1228-S1422 WeakPolarHBondContact CG2-O 3.33Å; I1228-S1422 VanDerWaalsContact O-O 3.07Å
1423N48.6Very low43.4Very low13 Ų1381.9 Ų81.97%0.0747%0.465CS..  trans-138105.1-151.8-176.4-98.7000116.7K132 I1228 D1230 I1255K132-N1423 VanDerWaalsContact CE-CG 3.46Å; K132-N1423 WeakPolarHBondContact CE-OD1 3.33Å; K132-N1423 WeakPolarHBondContact CG-OD1 3.33Å; K132-N1423 PolarHBondContact NZ-ND2 2.79Å; K132-N1423 PolarHBondContact NZ-OD1 3.44Å; I1228-N1423 HydrophobicContact CD1-CB 4.19Å; I1228-N1423 VanDerWaalsContact CD1-ND2 3.33Å; I1228-N1423 WeakPolarHBondContact CD1-ND2 3.46Å; I1228-N1423 HydrophobicContact CG2-CB 4.4Å; D1230-N1423 VanDerWaalsContact OD2-C 3.27Å; I1255-N1423 VanDerWaalsContact CD1-ND2 3.34Å; I1255-N1423 WeakPolarHBondContact CD1-ND2 3.5Å
1424R50.6Low43Very low81 Ų8180.4 Ų80.431%0.30646%0.458SS..  trans140.9119.2139.7-92.1171.1-96.181.822.5116Q131 D1230 I1255Q131-R1424 VanDerWaalsContact CG-NE 3.28Å; D1230-R1424 WeakPolarHBondContact OD1-CA 3.2Å; D1230-R1424 PolarHBondContact OD1-N 3.42Å; D1230-R1424 VanDerWaalsContact OD2-C 3.23Å; D1230-R1424 WeakPolarHBondContact OD2-CA 3.23Å; D1230-R1424 PolarHBondContact OD2-N 3.08Å; I1255-R1424 HydrophobicContact CG2-CG 4.32Å
1425N40.7Very low42.9Very low36 Ų3682.5 Ų82.519%0.19346%0.462CS..  56.5149.5103.2-58.119.3000120.2D1230 I1255 D1257D1230-N1425 PolarHBondContact OD1-N 3.34Å; I1255-N1425 WeakPolarHBondContact CG2-OD1 3.33Å; D1257-N1425 HydrophobicContact CB-CB 3.73Å; D1257-N1425 PolarHBondContact N-OD1 2.84Å; D1257-N1425 WeakPolarHBondContact O-CA 3.47Å; D1257-N1425 WeakPolarHBondContact OD2-CB 3.43Å; D1257-N1425 PolarHBondContact OD2-ND2 3.36Å
1426I41.6Very low43Very low112 Ų11282.6 Ų82.657%0.57445%0.453SS*.  trans96.697.9145.8-83.5149.9000113.7D1257 S1258D1257-I1426 HydrophobicContact CB-CG1 3.85Å; D1257-I1426 PolarHBondContact O-N 3.04Å; S1258-I1426 PolarHBondContact OG-N 3.02Å
1427N35.5Very low43.3Very low41 Ų4183 Ų8322%0.21946%0.457CS..  75.871.773.1-177.1-2.5000111.5S1258 I1259 D1284S1258-N1427 PolarHBondContact OG-N 2.77Å; I1259-N1427 HydrophobicContact CD1-CB 4.22Å; I1259-N1427 WeakPolarHBondContact CD1-OD1 3.46Å; D1284-N1427 PolarHBondContact O-ND2 3.5Å
1428I43.4Very low43.6Very low126 Ų12687.2 Ų87.265%0.64647%0.47SS*.  trans-149.3120155.7-54.8-178.8000103.2I1430I1428-I1430 HydrophobicContact CG2-CB 4.07Å
1429H31.6Very low43.9Very low45 Ų4588.9 Ų88.921%0.20847%0.473CS..  cis55.870.66.5-150.2-78.6000115.7E1261 E1288E1261-H1429 WeakPolarHBondContact OE1-CA 3.48Å; E1261-H1429 PolarHBondContact OE1-N 2.71Å; E1288-H1429 WeakPolarHBondContact CB-NE2 3.42Å; E1288-H1429 WeakPolarHBondContact CG-NE2 3.38Å; E1288-H1429 IonicContact OE1-CE1 3.55Å; E1288-H1429 PolarHBondContact OE1-CE1 3.05Å; E1288-H1429 IonicContact OE1-NE2 2.81Å; E1288-H1429 IonicContact OE2-CE1 3.92Å; E1288-H1429 IonicContact OE2-NE2 3.35Å
1430I38.4Very low43.9Very low122 Ų12294.8 Ų94.863%0.62649%0.493SS*.  trans-165.5101.6145.3-102.5148.8000111E1261 I1428 G1432E1261-I1430 PolarHBondContact OE1-N 3.27Å; I1428-I1430 HydrophobicContact CG2-CB 4.07Å; I1430-G1432 VanDerWaalsContact C-N 3.26Å; I1430-G1432 PolarHBondContact O-N 3.48Å
1431S33.8Very low43.6Very low95 Ų9594.5 Ų94.566%0.66449%0.488SS*.  45.441118.4-37.70000117L1433S1431-L1433 PolarHBondContact O-N 3.03Å
1432G44.4Very low44.5Very low67 Ų67101 Ų10169%0.69152%0.517SS*.  trans-88.53.4-170.300000116.1I1430 N1434I1430-G1432 VanDerWaalsContact C-N 3.26Å; I1430-G1432 PolarHBondContact O-N 3.48Å; G1432-N1434 VanDerWaalsContact C-N 3.25Å; G1432-N1434 WeakPolarHBondContact O-CB 3.4Å; G1432-N1434 PolarHBondContact O-N 3.34Å
1433L35.1Very low45Very low157 Ų157106.4 Ų106.482%0.82254%0.538SS*.  trans-63.467.1-160-126.4170.3000115.6S1431 I1435S1431-L1433 PolarHBondContact O-N 3.03Å; L1433-I1435 HydrophobicContact CD2-CD1 4.16Å; L1433-I1435 HydrophobicContact CD2-CG1 3.62Å; L1433-I1435 PolarHBondContact O-N 3.5Å
1434N31.9Very low46.2Very low126 Ų126111.6 Ų111.667%0.67456%0.56SS**  trans-90.685.4-179.6-171.813.5000108.8G1432 H1436G1432-N1434 VanDerWaalsContact C-N 3.25Å; G1432-N1434 WeakPolarHBondContact O-CB 3.4Å; G1432-N1434 PolarHBondContact O-N 3.34Å; N1434-H1436 PolarHBondContact O-N 3.39Å
1435I44.3Very low47.3Very low140 Ų140112.9 Ų112.972%0.71857%0.569SS**THydrogen-bonded Turntrans-69.357.2-169.2-42.4175.4000112.4L1433L1433-I1435 HydrophobicContact CD2-CD1 4.16Å; L1433-I1435 HydrophobicContact CD2-CG1 3.62Å; L1433-I1435 PolarHBondContact O-N 3.5Å
1436H45.4Very low49.5Very low138 Ų138113.4 Ų113.464%0.63958%0.583SS**THydrogen-bonded Turntrans-146.8-15-171.1-135.9-45.9000115.3N1434N1434-H1436 PolarHBondContact O-N 3.39Å
1437E49.6Very low51.6Low109 Ų109113 Ų11351%0.50958%0.581SS.*SBendtrans-98.4-30.1178.3-64.6-96.697.300113.2R1440 F1441E1437-R1440 CarbonylContact O-C 3.53Å; E1437-R1440 VanDerWaalsContact O-C 3.29Å; E1437-R1440 VanDerWaalsContact O-CA 3.23Å; E1437-R1440 WeakPolarHBondContact O-CA 3.48Å; E1437-R1440 WeakPolarHBondContact O-CB 3.44Å; E1437-R1440 PolarHBondContact O-N 3.42Å; E1437-R1440 WeakPolarHBondContact OE1-CD 3.35Å; E1437-R1440 IonicContact OE1-CZ 2.66Å; E1437-R1440 IonicContact OE1-NE 2.69Å; E1437-R1440 IonicContact OE1-NH1 3.1Å; E1437-R1440 PolarHBondContact OE1-NH1 3.01Å; E1437-F1441 PolarHBondContact O-N 3.17Å
1438H49.6Very low53.9Low168 Ų168114.5 Ų114.578%0.77859%0.592SS**Hα-helixtrans-62.5-45.4172.5-100.5-50.1000113R1440 F1441 E1442H1438-R1440 PolarHBondContact O-N 3.44Å; H1438-F1441 PolarHBondContact O-N 3.05Å; H1438-E1442 PolarHBondContact O-N 3.49Å
1439N52.1Low56.1Low115 Ų115112 Ų11262%0.61558%0.583SS**Hα-helixtrans-61.4-11.1169.2-86.2-49.8000113.1F1443N1439-F1443 VanDerWaalsContact O-CB 3.27Å; N1439-F1443 WeakPolarHBondContact O-CB 3.44Å; N1439-F1443 PolarHBondContact O-N 3.17Å
1440R53.3Low59Low148 Ų148111.4 Ų111.456%0.55859%0.589SS**Hα-helixtrans-102.8-21176.6-155.1-175.4-176.5-158-3.3112.2E1437 H1438 K1444E1437-R1440 CarbonylContact O-C 3.53Å; E1437-R1440 VanDerWaalsContact O-C 3.29Å; E1437-R1440 VanDerWaalsContact O-CA 3.23Å; E1437-R1440 WeakPolarHBondContact O-CA 3.48Å; E1437-R1440 WeakPolarHBondContact O-CB 3.44Å; E1437-R1440 PolarHBondContact O-N 3.42Å; E1437-R1440 WeakPolarHBondContact OE1-CD 3.35Å; E1437-R1440 IonicContact OE1-CZ 2.66Å; E1437-R1440 IonicContact OE1-NE 2.69Å; E1437-R1440 IonicContact OE1-NH1 3.1Å; E1437-R1440 PolarHBondContact OE1-NH1 3.01Å; H1438-R1440 PolarHBondContact O-N 3.44Å; R1440-K1444 WeakPolarHBondContact O-CB 3.26Å; R1440-K1444 WeakPolarHBondContact O-CG 3.38Å; R1440-K1444 PolarHBondContact O-N 3.14Å
1441F52Low61.5Low105 Ų105110.1 Ų110.146%0.46158%0.582SS.*Hα-helixtrans-80.1-42.7167.9-130.7-90.3000110.4E1437 H1438 F1443 K1444 H1445E1437-F1441 PolarHBondContact O-N 3.17Å; H1438-F1441 PolarHBondContact O-N 3.05Å; F1441-F1443 PolarHBondContact O-N 3.12Å; F1441-K1444 HydrophobicContact CD2-CD 4.35Å; F1441-K1444 HydrophobicContact CE2-CD 4.44Å; F1441-K1444 CarbonylContact O-C 3.29Å; F1441-K1444 PolarHBondContact O-N 2.79Å; F1441-K1444 VanDerWaalsContact O-N 3.08Å; F1441-H1445 AromaticContact CD1-CD2 3.52Å; F1441-H1445 AromaticContact CD1-NE2 3.46Å; F1441-H1445 WeakPolarHBondContact CD1-NE2 3.42Å; F1441-H1445 AromaticContact CE1-CD2 3.89Å; F1441-H1445 AromaticContact CE1-NE2 3.33Å; F1441-H1445 VanDerWaalsContact CE1-NE2 3.33Å; F1441-H1445 WeakPolarHBondContact CE1-NE2 3.41Å; F1441-H1445 PolarHBondContact O-N 2.95Å
1442E57Low64.2Low148 Ų148109.9 Ų109.969%0.69257%0.573SS**Hα-helixtrans-60.1-33.7164.6-79.7-16117600112.1H1438 G1446H1438-E1442 PolarHBondContact O-N 3.49Å; E1442-G1446 VanDerWaalsContact O-CA 3.25Å; E1442-G1446 WeakPolarHBondContact O-CA 3.4Å; E1442-G1446 PolarHBondContact O-N 2.6Å
1443F65.2Low66.6Low143 Ų143111.4 Ų111.463%0.62757%0.565SS**Hα-helixtrans-79.4-25.4172.8-161.5-88.2000113.1N1439 F1441 L1447N1439-F1443 VanDerWaalsContact O-CB 3.27Å; N1439-F1443 WeakPolarHBondContact O-CB 3.44Å; N1439-F1443 PolarHBondContact O-N 3.17Å; F1441-F1443 PolarHBondContact O-N 3.12Å; F1443-L1447 WeakPolarHBondContact O-CB 3.48Å; F1443-L1447 PolarHBondContact O-N 2.69Å
1444K74.8Confident69.4Low122 Ų122108.6 Ų108.653%0.5355%0.55SS..Hα-helixtrans-70.8-58.9170.3-89.5179.3170.4-173.30109.8R1440 F1441 G1446 L1447 T1448R1440-K1444 WeakPolarHBondContact O-CB 3.26Å; R1440-K1444 WeakPolarHBondContact O-CG 3.38Å; R1440-K1444 PolarHBondContact O-N 3.14Å; F1441-K1444 HydrophobicContact CD2-CD 4.35Å; F1441-K1444 HydrophobicContact CE2-CD 4.44Å; F1441-K1444 CarbonylContact O-C 3.29Å; F1441-K1444 PolarHBondContact O-N 2.79Å; F1441-K1444 VanDerWaalsContact O-N 3.08Å; K1444-G1446 VanDerWaalsContact C-N 3.29Å; K1444-G1446 PolarHBondContact O-N 3.09Å; K1444-L1447 CarbonylContact O-C 3.56Å; K1444-L1447 WeakPolarHBondContact O-CA 3.47Å; K1444-L1447 WeakPolarHBondContact O-CB 3.39Å; K1444-L1447 PolarHBondContact O-N 3.41Å; K1444-T1448 WeakPolarHBondContact O-CB 3.34Å; K1444-T1448 PolarHBondContact O-N 3.42Å; K1444-T1448 PolarHBondContact O-OG1 2.69Å; K1444-T1448 VanDerWaalsContact O-OG1 3.06Å
1445H74.7Confident72.3Confident107 Ų107105.7 Ų105.750%0.49554%0.539SS..Hα-helixtrans-57.9-41.3173.2-73.4-63.6000111.3F1441 L1447 T1448 V1449F1441-H1445 AromaticContact CD1-CD2 3.52Å; F1441-H1445 AromaticContact CD1-NE2 3.46Å; F1441-H1445 WeakPolarHBondContact CD1-NE2 3.42Å; F1441-H1445 AromaticContact CE1-CD2 3.89Å; F1441-H1445 AromaticContact CE1-NE2 3.33Å; F1441-H1445 VanDerWaalsContact CE1-NE2 3.33Å; F1441-H1445 WeakPolarHBondContact CE1-NE2 3.41Å; F1441-H1445 PolarHBondContact O-N 2.95Å; H1445-L1447 VanDerWaalsContact C-N 3.25Å; H1445-L1447 PolarHBondContact O-N 3.36Å; H1445-T1448 PolarHBondContact O-N 3.4Å; H1445-V1449 WeakPolarHBondContact O-CA 3.12Å; H1445-V1449 WeakPolarHBondContact O-CB 3.39Å; H1445-V1449 VanDerWaalsContact O-CG2 3.26Å; H1445-V1449 WeakPolarHBondContact O-CG2 3.21Å; H1445-V1449 PolarHBondContact O-N 3.32Å
1446G86.8Confident74.6Confident48 Ų48103 Ų10350%0.49553%0.525SS..Hα-helixtrans-60.5-32.1174.100000113.8E1442 K1444 G1450E1442-G1446 VanDerWaalsContact O-CA 3.25Å; E1442-G1446 WeakPolarHBondContact O-CA 3.4Å; E1442-G1446 PolarHBondContact O-N 2.6Å; K1444-G1446 VanDerWaalsContact C-N 3.29Å; K1444-G1446 PolarHBondContact O-N 3.09Å; G1446-G1450 WeakPolarHBondContact O-CA 3.43Å; G1446-G1450 PolarHBondContact O-N 3.12Å; G1446-G1450 VanDerWaalsContact O-N 3.08Å
1447L84.6Confident77Confident102 Ų102102.2 Ų102.253%0.53453%0.525SS..Hα-helixtrans-80-39.3172.3-170.876.2000112.2F1443 K1444 H1445 G1450 L1451F1443-L1447 WeakPolarHBondContact O-CB 3.48Å; F1443-L1447 PolarHBondContact O-N 2.69Å; K1444-L1447 CarbonylContact O-C 3.56Å; K1444-L1447 WeakPolarHBondContact O-CA 3.47Å; K1444-L1447 WeakPolarHBondContact O-CB 3.39Å; K1444-L1447 PolarHBondContact O-N 3.41Å; H1445-L1447 VanDerWaalsContact C-N 3.25Å; H1445-L1447 PolarHBondContact O-N 3.36Å; L1447-G1450 CarbonylContact O-C 3.52Å; L1447-G1450 WeakPolarHBondContact O-CA 3.47Å; L1447-G1450 PolarHBondContact O-N 2.96Å; L1447-L1451 WeakPolarHBondContact O-CB 3.44Å; L1447-L1451 PolarHBondContact O-N 2.86Å
1448T85.2Confident79.1Confident73 Ų73101 Ų10145%0.44852%0.524SS..Hα-helixtrans-72.3-51.1-178.9-58.40000110.8K1444 H1445 G1450 L1451 I1452K1444-T1448 WeakPolarHBondContact O-CB 3.34Å; K1444-T1448 PolarHBondContact O-N 3.42Å; K1444-T1448 PolarHBondContact O-OG1 2.69Å; K1444-T1448 VanDerWaalsContact O-OG1 3.06Å; H1445-T1448 PolarHBondContact O-N 3.4Å; T1448-G1450 PolarHBondContact O-N 3.41Å; T1448-L1451 CarbonylContact O-C 3.49Å; T1448-L1451 WeakPolarHBondContact O-CA 3.41Å; T1448-L1451 WeakPolarHBondContact O-CB 3.45Å; T1448-L1451 PolarHBondContact O-N 3.25Å; T1448-I1452 HydrophobicContact CG2-CD1 3.96Å; T1448-I1452 WeakPolarHBondContact O-CB 3.46Å; T1448-I1452 VanDerWaalsContact O-CG1 3.29Å; T1448-I1452 WeakPolarHBondContact O-CG1 3.03Å; T1448-I1452 PolarHBondContact O-N 3.45Å
1449V87.7Confident81.2Confident74 Ų7497.4 Ų97.445%0.44851%0.51SS..Hα-helixtrans-58.5-37.3167.11780000110.2H1445 L1451 I1452 L1453H1445-V1449 WeakPolarHBondContact O-CA 3.12Å; H1445-V1449 WeakPolarHBondContact O-CB 3.39Å; H1445-V1449 VanDerWaalsContact O-CG2 3.26Å; H1445-V1449 WeakPolarHBondContact O-CG2 3.21Å; H1445-V1449 PolarHBondContact O-N 3.32Å; V1449-L1451 VanDerWaalsContact C-N 3.34Å; V1449-L1451 PolarHBondContact O-N 3.45Å; V1449-I1452 PolarHBondContact O-N 2.71Å; V1449-L1453 HydrophobicContact CG1-CD1 3.93Å; V1449-L1453 HydrophobicContact CG1-CG 4.3Å; V1449-L1453 VanDerWaalsContact O-CB 3.24Å; V1449-L1453 WeakPolarHBondContact O-CB 3.31Å; V1449-L1453 WeakPolarHBondContact O-CG 3.5Å; V1449-L1453 PolarHBondContact O-N 3.2Å
1450G94.3Very high83.2Confident33 Ų3397.3 Ų97.334%0.3451%0.507SS..Hα-helixtrans-62.5-36.3171.500000113.9G1446 L1447 T1448 L1454G1446-G1450 WeakPolarHBondContact O-CA 3.43Å; G1446-G1450 PolarHBondContact O-N 3.12Å; G1446-G1450 VanDerWaalsContact O-N 3.08Å; L1447-G1450 CarbonylContact O-C 3.52Å; L1447-G1450 WeakPolarHBondContact O-CA 3.47Å; L1447-G1450 PolarHBondContact O-N 2.96Å; T1448-G1450 PolarHBondContact O-N 3.41Å; G1450-L1454 VanDerWaalsContact O-CB 3.24Å; G1450-L1454 WeakPolarHBondContact O-CB 3.26Å; G1450-L1454 PolarHBondContact O-N 2.74Å
1451L89.1Confident85.2Confident94 Ų9495.7 Ų95.749%0.49251%0.509SS..Hα-helixtrans-76.2-41.3176.7-112.9161.4000111.5L1447 T1448 V1449 L1454 C1455L1447-L1451 WeakPolarHBondContact O-CB 3.44Å; L1447-L1451 PolarHBondContact O-N 2.86Å; T1448-L1451 CarbonylContact O-C 3.49Å; T1448-L1451 WeakPolarHBondContact O-CA 3.41Å; T1448-L1451 WeakPolarHBondContact O-CB 3.45Å; T1448-L1451 PolarHBondContact O-N 3.25Å; V1449-L1451 VanDerWaalsContact C-N 3.34Å; V1449-L1451 PolarHBondContact O-N 3.45Å; L1451-L1454 CarbonylContact O-C 3.45Å; L1451-L1454 PolarHBondContact O-N 3.42Å; L1451-C1455 WeakPolarHBondContact O-CB 3.37Å; L1451-C1455 PolarHBondContact O-N 3.06Å; L1451-C1455 PolarHBondContact O-SG 3.15Å
1452I91.9Very high87.2Confident91 Ų9194.2 Ų94.247%0.46751%0.509SS..Hα-helixtrans-62-48.3173.6-69.3164.1000109.3T1448 V1449 L1454 C1455 I1456T1448-I1452 HydrophobicContact CG2-CD1 3.96Å; T1448-I1452 WeakPolarHBondContact O-CB 3.46Å; T1448-I1452 VanDerWaalsContact O-CG1 3.29Å; T1448-I1452 WeakPolarHBondContact O-CG1 3.03Å; T1448-I1452 PolarHBondContact O-N 3.45Å; V1449-I1452 PolarHBondContact O-N 2.71Å; I1452-L1454 VanDerWaalsContact C-N 3.3Å; I1452-L1454 PolarHBondContact O-N 3.03Å; I1452-C1455 PolarHBondContact O-N 2.83Å; I1452-I1456 HydrophobicContact CG2-CD1 3.73Å; I1452-I1456 HydrophobicContact CG2-CG1 4.45Å; I1452-I1456 WeakPolarHBondContact O-CB 3.44Å; I1452-I1456 VanDerWaalsContact O-CG1 3.24Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.02Å; I1452-I1456 PolarHBondContact O-N 3.17Å
1453L94.2Very high89Confident98 Ų9891.2 Ų91.251%0.51350%0.497SS..Hα-helixtrans-62.8-34.3173.9-72171.5000112.6V1449 L1457V1449-L1453 HydrophobicContact CG1-CD1 3.93Å; V1449-L1453 HydrophobicContact CG1-CG 4.3Å; V1449-L1453 VanDerWaalsContact O-CB 3.24Å; V1449-L1453 WeakPolarHBondContact O-CB 3.31Å; V1449-L1453 WeakPolarHBondContact O-CG 3.5Å; V1449-L1453 PolarHBondContact O-N 3.2Å; L1453-L1457 WeakPolarHBondContact O-CB 3.43Å; L1453-L1457 WeakPolarHBondContact O-CG 3.48Å; L1453-L1457 PolarHBondContact O-N 2.94Å
1454L94Very high90.5Very high98 Ų9887.6 Ų87.651%0.51349%0.49SS..Hα-helixtrans-69.8-41.8173.7-177.163.4000111.8G1450 L1451 I1452 L1457 V1458G1450-L1454 VanDerWaalsContact O-CB 3.24Å; G1450-L1454 WeakPolarHBondContact O-CB 3.26Å; G1450-L1454 PolarHBondContact O-N 2.74Å; L1451-L1454 CarbonylContact O-C 3.45Å; L1451-L1454 PolarHBondContact O-N 3.42Å; I1452-L1454 VanDerWaalsContact C-N 3.3Å; I1452-L1454 PolarHBondContact O-N 3.03Å; L1454-L1457 PolarHBondContact O-N 2.91Å; L1454-V1458 WeakPolarHBondContact O-CB 3.03Å; L1454-V1458 VanDerWaalsContact O-CG2 3.31Å; L1454-V1458 WeakPolarHBondContact O-CG2 3.34Å; L1454-V1458 PolarHBondContact O-N 3.28Å
1455C92Very high91.4Very high65 Ų6585 Ų8544%0.43948%0.484SS..Hα-helixtrans-64.3-45.6174.8-74.60000110.9L1451 I1452 L1457 V1458 I1459L1451-C1455 WeakPolarHBondContact O-CB 3.37Å; L1451-C1455 PolarHBondContact O-N 3.06Å; L1451-C1455 PolarHBondContact O-SG 3.15Å; I1452-C1455 PolarHBondContact O-N 2.83Å; C1455-L1457 VanDerWaalsContact C-N 3.31Å; C1455-L1457 PolarHBondContact O-N 3.1Å; C1455-V1458 CarbonylContact O-C 3.58Å; C1455-V1458 PolarHBondContact O-N 3.13Å; C1455-V1458 VanDerWaalsContact O-N 3.11Å; C1455-I1459 WeakPolarHBondContact O-CB 3.4Å; C1455-I1459 VanDerWaalsContact O-CG1 3.25Å; C1455-I1459 WeakPolarHBondContact O-CG1 3.19Å; C1455-I1459 PolarHBondContact O-N 3.03Å
1456I94Very high92.4Very high85 Ų8583 Ų8344%0.43648%0.479SS..Hα-helixtrans-58.8-42.5173-68.4165.6000110.5I1452 I1459 M1460I1452-I1456 HydrophobicContact CG2-CD1 3.73Å; I1452-I1456 HydrophobicContact CG2-CG1 4.45Å; I1452-I1456 WeakPolarHBondContact O-CB 3.44Å; I1452-I1456 VanDerWaalsContact O-CG1 3.24Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.02Å; I1452-I1456 PolarHBondContact O-N 3.17Å; I1456-I1459 PolarHBondContact O-N 3.21Å; I1456-M1460 HydrophobicContact CG2-CG 4.37Å; I1456-M1460 VanDerWaalsContact O-CB 3.24Å; I1456-M1460 WeakPolarHBondContact O-CB 3.5Å; I1456-M1460 WeakPolarHBondContact O-CG 3.27Å; I1456-M1460 PolarHBondContact O-N 3.06Å
1457L94.2Very high92.8Very high121 Ų12186.1 Ų86.163%0.63448%0.484SS*.Hα-helixtrans-65.1-37.4174.2-82.3169000113.1L1453 L1454 C1455 L1461L1453-L1457 WeakPolarHBondContact O-CB 3.43Å; L1453-L1457 WeakPolarHBondContact O-CG 3.48Å; L1453-L1457 PolarHBondContact O-N 2.94Å; L1454-L1457 PolarHBondContact O-N 2.91Å; C1455-L1457 VanDerWaalsContact C-N 3.31Å; C1455-L1457 PolarHBondContact O-N 3.1Å; L1457-L1461 VanDerWaalsContact O-CB 3.27Å; L1457-L1461 WeakPolarHBondContact O-CB 3.45Å; L1457-L1461 PolarHBondContact O-N 3.37Å
1458V94Very high93.3Very high82 Ų8284.8 Ų84.850%0.49748%0.479SS..Hα-helixtrans-69.2-44.7175.71680000110.8L1454 C1455 L1461 V1462L1454-V1458 WeakPolarHBondContact O-CB 3.03Å; L1454-V1458 VanDerWaalsContact O-CG2 3.31Å; L1454-V1458 WeakPolarHBondContact O-CG2 3.34Å; L1454-V1458 PolarHBondContact O-N 3.28Å; C1455-V1458 CarbonylContact O-C 3.58Å; C1455-V1458 PolarHBondContact O-N 3.13Å; C1455-V1458 VanDerWaalsContact O-N 3.11Å; V1458-L1461 PolarHBondContact O-N 3.22Å; V1458-V1462 HydrophobicContact CG1-CG2 4.43Å; V1458-V1462 WeakPolarHBondContact O-CG2 3.47Å; V1458-V1462 PolarHBondContact O-N 3.06Å
1459I93.5Very high93.8Very high93 Ų9386.5 Ų86.548%0.47749%0.486SS..Hα-helixtrans-61.2-47.1175.5-68.8163.1000109.9C1455 I1456 L1461 V1462 L1463C1455-I1459 WeakPolarHBondContact O-CB 3.4Å; C1455-I1459 VanDerWaalsContact O-CG1 3.25Å; C1455-I1459 WeakPolarHBondContact O-CG1 3.19Å; C1455-I1459 PolarHBondContact O-N 3.03Å; I1456-I1459 PolarHBondContact O-N 3.21Å; I1459-L1461 VanDerWaalsContact C-N 3.3Å; I1459-L1461 PolarHBondContact O-N 3.01Å; I1459-V1462 PolarHBondContact O-N 3.48Å; I1459-L1463 HydrophobicContact CG2-CD1 3.8Å; I1459-L1463 HydrophobicContact CG2-CG 4.26Å; I1459-L1463 WeakPolarHBondContact O-CB 3.37Å; I1459-L1463 VanDerWaalsContact O-CG 3.31Å; I1459-L1463 WeakPolarHBondContact O-CG 3.19Å; I1459-L1463 PolarHBondContact O-N 3.33Å
1460M95.3Very high94.1Very high113 Ų11387.8 Ų87.856%0.55749%0.489SS*.Hα-helixtrans-61-36.2174.6-74.9-72.2145.600112.7I1456 L1463 S1464I1456-M1460 HydrophobicContact CG2-CG 4.37Å; I1456-M1460 VanDerWaalsContact O-CB 3.24Å; I1456-M1460 WeakPolarHBondContact O-CB 3.5Å; I1456-M1460 WeakPolarHBondContact O-CG 3.27Å; I1456-M1460 PolarHBondContact O-N 3.06Å; M1460-L1463 HydrophobicContact CE-CD1 4.47Å; M1460-S1464 WeakPolarHBondContact O-CB 3.43Å; M1460-S1464 PolarHBondContact O-N 3.32Å
1461L95.3Very high94.1Very high115 Ų11593 Ų9360%0.60250%0.498SS*.Hα-helixtrans-70.4-42.8174.8-167.2155.5000111.3L1457 V1458 I1459 S1464 T1465L1457-L1461 VanDerWaalsContact O-CB 3.27Å; L1457-L1461 WeakPolarHBondContact O-CB 3.45Å; L1457-L1461 PolarHBondContact O-N 3.37Å; V1458-L1461 PolarHBondContact O-N 3.22Å; I1459-L1461 VanDerWaalsContact C-N 3.3Å; I1459-L1461 PolarHBondContact O-N 3.01Å; L1461-S1464 PolarHBondContact O-N 3.07Å; L1461-T1465 HydrophobicContact CD2-CG2 4.16Å; L1461-T1465 WeakPolarHBondContact O-CG2 3.06Å; L1461-T1465 PolarHBondContact O-N 3.3Å; L1461-T1465 PolarHBondContact O-OG1 3.3Å
1462V94Very high94.3Very high74 Ų7492.3 Ų92.345%0.44849%0.494SS..Hα-helixtrans-61.7-53.8175.4169.80000110.3V1458 I1459 S1464 T1465 V1466V1458-V1462 HydrophobicContact CG1-CG2 4.43Å; V1458-V1462 WeakPolarHBondContact O-CG2 3.47Å; V1458-V1462 PolarHBondContact O-N 3.06Å; I1459-V1462 PolarHBondContact O-N 3.48Å; V1462-S1464 VanDerWaalsContact C-N 3.28Å; V1462-S1464 PolarHBondContact O-N 3.08Å; V1462-T1465 CarbonylContact O-C 3.41Å; V1462-T1465 WeakPolarHBondContact O-CA 3.19Å; V1462-T1465 PolarHBondContact O-N 3.15Å; V1462-T1465 PolarHBondContact O-OG1 2.67Å; V1462-V1466 HydrophobicContact CG1-CG2 4.38Å; V1462-V1466 WeakPolarHBondContact O-CG2 3.35Å; V1462-V1466 PolarHBondContact O-N 3.46Å
1463L94.8Very high94.2Very high85 Ų8597 Ų9745%0.44551%0.506SS..Hα-helixtrans-55.6-41.9175.1-70.2173.4000111.7I1459 M1460 V1466 L1467I1459-L1463 HydrophobicContact CG2-CD1 3.8Å; I1459-L1463 HydrophobicContact CG2-CG 4.26Å; I1459-L1463 WeakPolarHBondContact O-CB 3.37Å; I1459-L1463 VanDerWaalsContact O-CG 3.31Å; I1459-L1463 WeakPolarHBondContact O-CG 3.19Å; I1459-L1463 PolarHBondContact O-N 3.33Å; M1460-L1463 HydrophobicContact CE-CD1 4.47Å; L1463-V1466 PolarHBondContact O-N 3.35Å; L1463-L1467 WeakPolarHBondContact O-CB 3.48Å; L1463-L1467 VanDerWaalsContact O-CG 3.29Å; L1463-L1467 WeakPolarHBondContact O-CG 3.37Å; L1463-L1467 PolarHBondContact O-N 3.23Å
1464S95.7Very high93.9Very high67 Ų6796.9 Ų96.947%0.46950%0.503SS..Hα-helixtrans-61.6-43.5173.6-174.50000112.1M1460 L1461 V1462 L1467 V1468M1460-S1464 WeakPolarHBondContact O-CB 3.43Å; M1460-S1464 PolarHBondContact O-N 3.32Å; L1461-S1464 PolarHBondContact O-N 3.07Å; V1462-S1464 VanDerWaalsContact C-N 3.28Å; V1462-S1464 PolarHBondContact O-N 3.08Å; S1464-L1467 PolarHBondContact O-N 3.31Å; S1464-V1468 WeakPolarHBondContact O-CB 3.44Å; S1464-V1468 VanDerWaalsContact O-CG2 3.26Å; S1464-V1468 WeakPolarHBondContact O-CG2 3.34Å; S1464-V1468 PolarHBondContact O-N 3.06Å
1465T94.7Very high93.6Very high66 Ų6697.9 Ų97.941%0.40550%0.5SS..Hα-helixtrans-67.2-35.9174.8590000113.2L1461 V1462 V1468 L1469L1461-T1465 HydrophobicContact CD2-CG2 4.16Å; L1461-T1465 WeakPolarHBondContact O-CG2 3.06Å; L1461-T1465 PolarHBondContact O-N 3.3Å; L1461-T1465 PolarHBondContact O-OG1 3.3Å; V1462-T1465 CarbonylContact O-C 3.41Å; V1462-T1465 WeakPolarHBondContact O-CA 3.19Å; V1462-T1465 PolarHBondContact O-N 3.15Å; V1462-T1465 PolarHBondContact O-OG1 2.67Å; T1465-V1468 PolarHBondContact O-N 3.42Å; T1465-L1469 WeakPolarHBondContact O-CB 3.46Å; T1465-L1469 VanDerWaalsContact O-CG 3.27Å; T1465-L1469 WeakPolarHBondContact O-CG 3.13Å; T1465-L1469 PolarHBondContact O-N 3.48Å
1466V95Very high93.3Very high65 Ų65103.6 Ų103.639%0.39451%0.512SS..Hα-helixtrans-65.5-47.5174.51710000110.3V1462 L1463 V1468 L1469 I1470V1462-V1466 HydrophobicContact CG1-CG2 4.38Å; V1462-V1466 WeakPolarHBondContact O-CG2 3.35Å; V1462-V1466 PolarHBondContact O-N 3.46Å; L1463-V1466 PolarHBondContact O-N 3.35Å; V1466-V1468 VanDerWaalsContact C-N 3.32Å; V1466-V1468 PolarHBondContact O-N 3.43Å; V1466-L1469 CarbonylContact O-C 3.56Å; V1466-L1469 PolarHBondContact O-N 3.49Å; V1466-L1469 VanDerWaalsContact O-N 3.1Å; V1466-I1470 HydrophobicContact CG1-CD1 3.78Å; V1466-I1470 HydrophobicContact CG1-CG1 4.41Å; V1466-I1470 WeakPolarHBondContact O-CB 3.48Å; V1466-I1470 VanDerWaalsContact O-CG1 3.32Å; V1466-I1470 WeakPolarHBondContact O-CG1 3.02Å; V1466-I1470 PolarHBondContact O-N 3.4Å
1467L96Very high92.8Very high115 Ų115105.2 Ų105.260%0.60252%0.522SS*.Hα-helixtrans-61.3-38.2174.6-72.2170.1000112.2L1463 S1464 W1471L1463-L1467 WeakPolarHBondContact O-CB 3.48Å; L1463-L1467 VanDerWaalsContact O-CG 3.29Å; L1463-L1467 WeakPolarHBondContact O-CG 3.37Å; L1463-L1467 PolarHBondContact O-N 3.23Å; S1464-L1467 PolarHBondContact O-N 3.31Å; L1467-W1471 VanDerWaalsContact O-CB 3.24Å; L1467-W1471 WeakPolarHBondContact O-CB 3.37Å; L1467-W1471 PolarHBondContact O-N 3Å
1468V95Very high92.1Very high73 Ų73106.4 Ų106.444%0.44252%0.522SS..Hα-helixtrans-66.1-39.2172.7166.60000111.5S1464 T1465 V1466 W1471 I1472S1464-V1468 WeakPolarHBondContact O-CB 3.44Å; S1464-V1468 VanDerWaalsContact O-CG2 3.26Å; S1464-V1468 WeakPolarHBondContact O-CG2 3.34Å; S1464-V1468 PolarHBondContact O-N 3.06Å; T1465-V1468 PolarHBondContact O-N 3.42Å; V1466-V1468 VanDerWaalsContact C-N 3.32Å; V1466-V1468 PolarHBondContact O-N 3.43Å; V1468-W1471 PolarHBondContact O-N 3.45Å; V1468-I1472 HydrophobicContact CG1-CD1 3.78Å; V1468-I1472 HydrophobicContact CG1-CG1 4.44Å; V1468-I1472 WeakPolarHBondContact O-CB 3.4Å; V1468-I1472 WeakPolarHBondContact O-CG1 3.16Å; V1468-I1472 PolarHBondContact O-N 3.14Å
1469L94.8Very high91Very high110 Ų110110.7 Ų110.758%0.57653%0.53SS*.Hα-helixtrans-69-40.8176-74.7169.5000112.2T1465 V1466 I1472 R1473T1465-L1469 WeakPolarHBondContact O-CB 3.46Å; T1465-L1469 VanDerWaalsContact O-CG 3.27Å; T1465-L1469 WeakPolarHBondContact O-CG 3.13Å; T1465-L1469 PolarHBondContact O-N 3.48Å; V1466-L1469 CarbonylContact O-C 3.56Å; V1466-L1469 PolarHBondContact O-N 3.49Å; V1466-L1469 VanDerWaalsContact O-N 3.1Å; L1469-I1472 PolarHBondContact O-N 3.24Å; L1469-R1473 WeakPolarHBondContact O-CB 3.21Å; L1469-R1473 PolarHBondContact O-N 3.06Å
1470I95.2Very high89.4Confident101 Ų101110.9 Ų110.952%0.51854%0.54SS..Hα-helixtrans-61.4-45.2171.7-69.1167.4000109.8V1466 I1472 R1473 H1474V1466-I1470 HydrophobicContact CG1-CD1 3.78Å; V1466-I1470 HydrophobicContact CG1-CG1 4.41Å; V1466-I1470 WeakPolarHBondContact O-CB 3.48Å; V1466-I1470 VanDerWaalsContact O-CG1 3.32Å; V1466-I1470 WeakPolarHBondContact O-CG1 3.02Å; V1466-I1470 PolarHBondContact O-N 3.4Å; I1470-I1472 PolarHBondContact O-N 3.41Å; I1470-R1473 PolarHBondContact O-N 2.84Å; I1470-H1474 WeakPolarHBondContact O-CB 3.49Å; I1470-H1474 PolarHBondContact O-N 3.13Å
1471W94Very high87Confident142 Ų142108 Ų10854%0.53854%0.54SS..Hα-helixtrans-64.7-38.7176.4-174.284.6000112.6L1467 V1468 H1474 R1475L1467-W1471 VanDerWaalsContact O-CB 3.24Å; L1467-W1471 WeakPolarHBondContact O-CB 3.37Å; L1467-W1471 PolarHBondContact O-N 3Å; V1468-W1471 PolarHBondContact O-N 3.45Å; W1471-H1474 PolarHBondContact O-N 3.36Å; W1471-R1475 VanDerWaalsContact CH2-CZ 3.48Å; W1471-R1475 VanDerWaalsContact CH2-NH1 3.34Å; W1471-R1475 WeakPolarHBondContact O-CB 3.48Å; W1471-R1475 PolarHBondContact O-N 2.78Å
1472I92.2Very high84.4Confident80 Ų80108.1 Ų108.141%0.4155%0.549SS..Hα-helixtrans-64.7-43.3172.8-74166000110.7V1468 L1469 I1470 R1475 R1476V1468-I1472 HydrophobicContact CG1-CD1 3.78Å; V1468-I1472 HydrophobicContact CG1-CG1 4.44Å; V1468-I1472 WeakPolarHBondContact O-CB 3.4Å; V1468-I1472 WeakPolarHBondContact O-CG1 3.16Å; V1468-I1472 PolarHBondContact O-N 3.14Å; L1469-I1472 PolarHBondContact O-N 3.24Å; I1470-I1472 PolarHBondContact O-N 3.41Å; I1472-R1475 PolarHBondContact O-N 2.76Å; I1472-R1476 WeakPolarHBondContact O-CB 3.11Å; I1472-R1476 PolarHBondContact O-N 2.9Å
1473R90.1Very high82Confident189 Ų189112.7 Ų112.771%0.71357%0.57SS**Hα-helixtrans-63.8-44.3176.1-172.1173.2178131.1-5.2111L1469 I1470 R1476 N1477L1469-R1473 WeakPolarHBondContact O-CB 3.21Å; L1469-R1473 PolarHBondContact O-N 3.06Å; I1470-R1473 PolarHBondContact O-N 2.84Å; R1473-R1476 WeakPolarHBondContact O-CB 3.43Å; R1473-R1476 PolarHBondContact O-N 3.44Å; R1473-N1477 PolarHBondContact O-N 3.39Å; R1473-N1477 PolarHBondContact O-OD1 3.26Å
1474H88.6Confident79.4Confident95 Ų95114.3 Ų114.344%0.4458%0.584SS.*Hα-helixtrans-63.8-41.5175.1-171.523000111.9I1470 W1471 N1477 K1478I1470-H1474 WeakPolarHBondContact O-CB 3.49Å; I1470-H1474 PolarHBondContact O-N 3.13Å; W1471-H1474 PolarHBondContact O-N 3.36Å; H1474-N1477 PolarHBondContact O-N 2.9Å; H1474-K1478 WeakPolarHBondContact CE1-CE 3.45Å; H1474-K1478 PolarHBondContact CE1-NZ 2.91Å; H1474-K1478 VanDerWaalsContact CE1-NZ 3.26Å; H1474-K1478 PolarHBondContact NE2-NZ 3.31Å; H1474-K1478 WeakPolarHBondContact O-CB 3.16Å; H1474-K1478 PolarHBondContact O-N 3.45Å
1475R88Confident76.7Confident119 Ų119118.4 Ų118.445%0.44960%0.599SS.*Hα-helixtrans-61.2-43171.4-105.2-170.6159.4-170.7-4.7112W1471 I1472 K1478 Y1479W1471-R1475 VanDerWaalsContact CH2-CZ 3.48Å; W1471-R1475 VanDerWaalsContact CH2-NH1 3.34Å; W1471-R1475 WeakPolarHBondContact O-CB 3.48Å; W1471-R1475 PolarHBondContact O-N 2.78Å; I1472-R1475 PolarHBondContact O-N 2.76Å; R1475-K1478 CarbonylContact O-C 3.5Å; R1475-K1478 PolarHBondContact O-N 3.36Å; R1475-Y1479 HydrophobicContact CB-CD2 4.36Å; R1475-Y1479 HydrophobicContact CB-CE2 4.46Å; R1475-Y1479 HydrophobicContact CG-CD2 4.34Å; R1475-Y1479 HydrophobicContact CG-CE2 3.96Å; R1475-Y1479 WeakPolarHBondContact O-CB 3.43Å; R1475-Y1479 WeakPolarHBondContact O-CD2 3.35Å; R1475-Y1479 PolarHBondContact O-N 3.49Å
1476R85.8Confident74Confident186 Ų186120.7 Ų120.770%0.70261%0.613SS**Hα-helixtrans-59.3-48.3177.1-124.5174.8169.5166.5-4.5110.4I1472 R1473 K1478 Y1479 S1480I1472-R1476 WeakPolarHBondContact O-CB 3.11Å; I1472-R1476 PolarHBondContact O-N 2.9Å; R1473-R1476 WeakPolarHBondContact O-CB 3.43Å; R1473-R1476 PolarHBondContact O-N 3.44Å; R1476-K1478 PolarHBondContact O-N 3.42Å; R1476-Y1479 CarbonylContact O-C 3.59Å; R1476-Y1479 PolarHBondContact O-N 3.16Å; R1476-Y1479 VanDerWaalsContact O-N 3.09Å; R1476-S1480 PolarHBondContact O-N 3.47Å; R1476-S1480 PolarHBondContact O-OG 3.27Å; R1476-S1480 VanDerWaalsContact O-OG 3.13Å
1477N82.2Confident71.4Confident119 Ų119125.4 Ų125.464%0.63663%0.63SS**Hα-helixtrans-63-38.8176.1-7114.5000112.4R1473 H1474 Y1479R1473-N1477 PolarHBondContact O-N 3.39Å; R1473-N1477 PolarHBondContact O-OD1 3.26Å; H1474-N1477 PolarHBondContact O-N 2.9Å; N1477-Y1479 VanDerWaalsContact C-N 3.27Å; N1477-Y1479 PolarHBondContact O-N 3.28Å
1478K79.7Confident69Low146 Ų146126.8 Ų126.864%0.63564%0.637SS**Hα-helixtrans-70.6-13.5174.1-87.5175.2168.3158.60114.9H1474 R1475 R1476H1474-K1478 WeakPolarHBondContact CE1-CE 3.45Å; H1474-K1478 PolarHBondContact CE1-NZ 2.91Å; H1474-K1478 VanDerWaalsContact CE1-NZ 3.26Å; H1474-K1478 PolarHBondContact NE2-NZ 3.31Å; H1474-K1478 WeakPolarHBondContact O-CB 3.16Å; H1474-K1478 PolarHBondContact O-N 3.45Å; R1475-K1478 CarbonylContact O-C 3.5Å; R1475-K1478 PolarHBondContact O-N 3.36Å; R1476-K1478 PolarHBondContact O-N 3.42Å
1479Y71.5Confident66.4Low171 Ų171131.4 Ų131.467%0.67165%0.654SS**Hα-helixtrans-113.3-6.3177.4-71.1-57.1000114.8R1475 R1476 N1477 G1481R1475-Y1479 HydrophobicContact CB-CD2 4.36Å; R1475-Y1479 HydrophobicContact CB-CE2 4.46Å; R1475-Y1479 HydrophobicContact CG-CD2 4.34Å; R1475-Y1479 HydrophobicContact CG-CE2 3.96Å; R1475-Y1479 WeakPolarHBondContact O-CB 3.43Å; R1475-Y1479 WeakPolarHBondContact O-CD2 3.35Å; R1475-Y1479 PolarHBondContact O-N 3.49Å; R1476-Y1479 CarbonylContact O-C 3.59Å; R1476-Y1479 PolarHBondContact O-N 3.16Å; R1476-Y1479 VanDerWaalsContact O-N 3.09Å; N1477-Y1479 VanDerWaalsContact C-N 3.27Å; N1477-Y1479 PolarHBondContact O-N 3.28Å; Y1479-G1481 PolarHBondContact O-N 3.23Å
1480S58.5Low63.9Low97 Ų97133 Ų13368%0.67866%0.658SS**  trans-76.310.5168.3-65.70000113.7R1476R1476-S1480 PolarHBondContact O-N 3.47Å; R1476-S1480 PolarHBondContact O-OG 3.27Å; R1476-S1480 VanDerWaalsContact O-OG 3.13Å
1481G46Very low61.6Low54 Ų54132.4 Ų132.456%0.55766%0.656SS**SBendtrans-63.9133.1170.800000111.3Y1479 I1483Y1479-G1481 PolarHBondContact O-N 3.23Å; G1481-I1483 PolarHBondContact O-N 2.98Å
1482S40.2Very low59.1Low116 Ų116132.7 Ų132.781%0.81167%0.668SS**  trans-57.7126.1-169.942.30000114.3
1483I44.9Very low56.9Low170 Ų170135.4 Ų135.487%0.87268%0.677SS**  trans-108.9115.6162.4-62.8179.2000108.1G1481G1481-I1483 PolarHBondContact O-N 2.98Å
1484T39.8Very low54.8Low120 Ų120132.9 Ų132.974%0.73668%0.678SS**  trans-115.7118171.444.90000109.4
1485L38.3Very low52.5Low153 Ų153134 Ų13480%0.80169%0.691SS**  trans-176.4129.3141.5-123.167000112.5
1486T37.4Very low50.1Low113 Ų113135 Ų13569%0.69370%0.701SS**  trans30.7152.4136.760.50000123.7
1487H42Very low48Very low164 Ų164132 Ų13276%0.75970%0.699SS**  trans93.3133.4154.8-95.8-77.6000119.3
1488I45.6Very low46Very low145 Ų145132 Ų13274%0.74470%0.704SS**  trans70.9106.5160.6-57.3158.9000113.9
1489E39.4Very low44.1Very low169 Ų169129.6 Ų129.679%0.7971%0.705SS**  cis86.3142.330.8-154.7-179.5-176.200114.8
1490E42.5Very low42.6Very low143 Ų143127.8 Ų127.867%0.66871%0.706SS**  trans72.8122.9172-73.3-145.699.500121.8K1493E1490-K1493 IonicContact OE1-NZ 3.61Å
1491N46.2Very low41.8Very low89 Ų89129.4 Ų129.448%0.47670%0.697SS.*  trans70.9145.9136.1-56.9-17.2000120.5K1493N1491-K1493 HydrophobicContact CB-CD 4.33Å; N1491-K1493 PolarHBondContact ND2-NZ 3.41Å; N1491-K1493 WeakPolarHBondContact OD1-CD 3.46Å; N1491-K1493 WeakPolarHBondContact OD1-CE 2.96Å; N1491-K1493 PolarHBondContact OD1-NZ 3.43Å
1492D41.6Very low41.4Very low148 Ų148133.1 Ų133.179%0.79169%0.694SS**  cis-121.1154.413-79.6-52.7000112.7
1493K46.2Very low41.4Very low137 Ų137132 Ų13260%0.59669%0.687SS**  cis87.968.628.3-66.5178.1170.1155.80117.3E1490 N1491E1490-K1493 IonicContact OE1-NZ 3.61Å; N1491-K1493 HydrophobicContact CB-CD 4.33Å; N1491-K1493 PolarHBondContact ND2-NZ 3.41Å; N1491-K1493 WeakPolarHBondContact OD1-CD 3.46Å; N1491-K1493 WeakPolarHBondContact OD1-CE 2.96Å; N1491-K1493 PolarHBondContact OD1-NZ 3.43Å
1494N46.3Very low41.3Very low136 Ų136134.6 Ų134.673%0.72769%0.685SS**  trans-171.1146141.2-111-40.6000108.4
1495V39.5Very low41.2Very low120 Ų120138.7 Ų138.773%0.72769%0.693SS**  cis-135.8112.316.5174.80000111.8
1496Q38.5Very low41.2Very low139 Ų139139.8 Ų139.865%0.6570%0.695SS**  53129.2129.1-54.9-178.72600124.9
1497N41.5Very low41.3Very low124 Ų124139.4 Ų139.466%0.66370%0.697SS**  trans65.1149.8132.2-60.1-15.2000120.7
1498T40.7Very low41.3Very low119 Ų119141.8 Ų141.873%0.7370%0.699SS**  cis-175.3159.8-17.230.40000107.3
1499S38.9Very low41Very low95 Ų95141.6 Ų141.666%0.66470%0.7SS**  cis-170.5-147.8-20.168.40000109.2
1500L41.4Very low41.1Very low132 Ų132140.2 Ų140.269%0.69170%0.698SS**  trans71.3145.7175.2-66.8115.4000118.7
1501R40.8Very low41.1Very low131 Ų131140.5 Ų140.549%0.49470%0.696SS.*  cis-173.4150.5-33-131.8164.5165.5-93.9-7.9114.7N346N346-R1501 VanDerWaalsContact CG-NH2 3.34Å; N346-R1501 PolarHBondContact OD1-NH2 3.05Å
1502R38.4Very low40.8Very low132 Ų132142.7 Ų142.750%0.49870%0.703SS.*  trans90.472.3137.2-159.2-152.4-58.7-140.7-4.5123.2R347 V348R347-R1502 VanDerWaalsContact C-NH1 3.32Å; R347-R1502 VanDerWaalsContact O-CZ 3.26Å; R347-R1502 PolarHBondContact O-NH1 2.97Å; R347-R1502 PolarHBondContact O-NH2 3.35Å; V348-R1502 PolarHBondContact O-NH1 3.26Å
1503S39.5Very low40.8Very low93 Ų93142 Ų14265%0.6570%0.7SS**  44.6135.4106.878.40000125.3
1504R42.2Very low40.6Very low224 Ų224139.6 Ų139.685%0.84570%0.701SS**  trans78.6131.8147.8-62.9174.8-164-179.24.2121.6
1505F38.9Very low40.3Very low206 Ų206142 Ų14290%0.90471%0.705SS**  -163.5175.699.3-112.8-79.7000112.6
1506Q38.6Very low40.5Very low177 Ų177141.8 Ų141.883%0.82770%0.704SS**  trans-140.2154.4-172.5-82.8-176.6-39.400113.9
1507S38.3Very low40.7Very low105 Ų105139.6 Ų139.673%0.73471%0.709SS**  trans74.5162162.784.30000116.7
1508R41.4Very low40.9Very low213 Ų213139.3 Ų139.380%0.80471%0.712SS**  cis-165.4166.226.5-141.1177.3-156.5159.53.8112.5
1509N40.6Very low40.9Very low142 Ų142142.6 Ų142.676%0.75972%0.719SS**  trans74.5168.2159.9-56.7-13.9000120.1
1510N40.8Very low41Very low140 Ų140141.7 Ų141.775%0.74972%0.724SS**  -172.8154-60.5-138.3-9.4000113.2
1511K41.9Very low41Very low148 Ų148143.3 Ų143.364%0.64373%0.733SS**  trans81.6147.6146.7-93.6170.2147.1-86.90124.5
1512H41.3Very low41.1Very low135 Ų135142.6 Ų142.663%0.62574%0.743SS**  trans77.2123.5165.5-63.3-56.9000117.6
1513D40.9Very low41.2Very low133 Ų133143.3 Ų143.371%0.71176%0.757SS**  cis83.9137.740.2-60-38.3000112.6
1514S41.9Very low41.3Very low88 Ų88147.9 Ų147.962%0.61577%0.768SS**  cis-175170.9-12.848.70000111.2
1515F40.6Very low41.3Very low186 Ų186140.8 Ų140.882%0.81675%0.752SS**  trans67.5155.7172.4-68-91.8000118.9
1516T43.5Very low41.3Very low115 Ų115139.6 Ų139.671%0.70675%0.747SS**  cis-166.1138.5-40.124.80000111.7
1517A42.8Very low41.4Very low93 Ų93135.6 Ų135.677%0.76974%0.739SS**  trans67.9160.5140.300000123.9
1518V45.6Very low41.7Very low119 Ų119137.5 Ų137.572%0.72174%0.74SS**  trans92.197.9163.8-170.20000118.9
1519E40.7Very low41.7Very low188 Ų188136.1 Ų136.188%0.87974%0.74SS**  trans54.1139.8136.5-63.5163.8-170.800123.6
1520G40.8Very low41.6Very low75 Ų75134.5 Ų134.577%0.77374%0.74SS**  trans137.494.5149.600000119.1
1521L41.2Very low41.8Very low166 Ų166132.9 Ų132.987%0.86974%0.736SS**  trans61.5120.8147.6-62.1168.1000122.7
1522V42.2Very low41.9Very low116 Ų116134.1 Ų134.170%0.70375%0.749SS**  trans69.9121.5131.7-178.20000121.4
1523N42.4Very low41.8Very low147 Ų147133 Ų13379%0.78676%0.756SS**  trans40.6105.4153.3-57.9-0.6000120.9
1524E40.8Very low42Very low189 Ų189135.5 Ų135.588%0.88377%0.766SS**  -173.1162.8104.7-104.6-153123.600113.9
1525S41.2Very low41.8Very low75 Ų75141 Ų14152%0.52478%0.779SS.*  trans-48.9129.1-17460.10000118.1
1526K40.3Very low42.4Very low181 Ų181137.2 Ų137.279%0.78777%0.771SS**  172.9151.7119.3-89.8154.3-148.971.90115.4
1527S40.2Very low43.6Very low94 Ų94136.1 Ų136.166%0.65777%0.766SS**  trans-38.1142176.251.10000119.2
1528N44.1Very low45.1Very low144 Ų144134.9 Ų134.977%0.7776%0.756SS**  176103.1108.6-91.9-59.8000115.8
1529K42.7Very low46.4Very low184 Ų184135.9 Ų135.980%0.876%0.756SS**  46.2103.3122.9-166.6172-169.9164.10120.2T1531K1529-T1531 HydrophobicContact CG-CG2 4.25Å
1530S38.3Very low48.1Very low109 Ų109133.7 Ų133.776%0.76275%0.745SS**  trans-144.474.3156.2175.10000111.6
1531T44.7Very low50.1Low106 Ų106138.2 Ų138.265%0.6574%0.744SS**  47.385.7105.862.30000116.4K1529K1529-T1531 HydrophobicContact CG-CG2 4.25Å
1532N43Very low51.9Low173 Ų173138.6 Ų138.693%0.92573%0.734SS**  trans-119.5134.9138.2-110.9-29.4000107.1
1533S39Very low53.8Low111 Ų111137.4 Ų137.478%0.77672%0.723SS**  trans-111.4103.1-164.465.70000114
1534M45.1Very low55.8Low187 Ų187135 Ų13592%0.92171%0.707SS**  trans-86.5155.9146.5-74-169.5168.700109.7
1535K39.5Very low58Low202 Ų202130.4 Ų130.488%0.87869%0.688SS**  trans-102.788-164.4-66.6175.5-177.3169.30112
1536T53.3Low60.1Low107 Ų107134.9 Ų134.966%0.65669%0.693SS**  trans-67.5132.6177-22.40000111.6A1538T1536-A1538 PolarHBondContact O-N 3.32Å; T1536-A1538 VanDerWaalsContact O-N 3.08Å
1537P68.6Low62.3Low93 Ų93133.9 Ų133.960%0.60469%0.685SS**Hα-helixtrans-58-24.3-175.1-29.536.4000116.1I1539 Q1540 K1541P1537-I1539 VanDerWaalsContact C-N 3.3Å; P1537-I1539 PolarHBondContact O-N 3.39Å; P1537-Q1540 CarbonylContact O-C 3.56Å; P1537-Q1540 WeakPolarHBondContact O-CA 2.9Å; P1537-Q1540 WeakPolarHBondContact O-CB 3Å; P1537-Q1540 PolarHBondContact O-N 3.3Å; P1537-K1541 PolarHBondContact O-N 3.4Å
1538A73Confident64.6Low66 Ų66136.4 Ų136.455%0.54568%0.684SS.*Hα-helixtrans-55.2-37.7-176.100000114.1T1536 Q1540 R1542T1536-A1538 PolarHBondContact O-N 3.32Å; T1536-A1538 VanDerWaalsContact O-N 3.08Å; A1538-Q1540 VanDerWaalsContact C-N 3.32Å; A1538-Q1540 PolarHBondContact O-N 2.98Å; A1538-R1542 VanDerWaalsContact O-CB 3.3Å; A1538-R1542 WeakPolarHBondContact O-CB 3.12Å; A1538-R1542 PolarHBondContact O-N 3.45Å
1539I72.9Confident66.8Low140 Ų140135 Ų13572%0.71867%0.673SS**Hα-helixtrans-68.9-34176.4-63.9179.5000110.8P1537 L1543P1537-I1539 VanDerWaalsContact C-N 3.3Å; P1537-I1539 PolarHBondContact O-N 3.39Å; I1539-L1543 WeakPolarHBondContact O-CB 3.43Å; I1539-L1543 PolarHBondContact O-N 3.19Å
1540Q77.1Confident68.9Low142 Ų142132.5 Ų132.566%0.66466%0.664SS**Hα-helixtrans-71.8-49.3175.7-167.5159.7-53.700111P1537 A1538 R1542 L1543 E1544P1537-Q1540 CarbonylContact O-C 3.56Å; P1537-Q1540 WeakPolarHBondContact O-CA 2.9Å; P1537-Q1540 WeakPolarHBondContact O-CB 3Å; P1537-Q1540 PolarHBondContact O-N 3.3Å; A1538-Q1540 VanDerWaalsContact C-N 3.32Å; A1538-Q1540 PolarHBondContact O-N 2.98Å; Q1540-R1542 PolarHBondContact O-N 3.38Å; Q1540-L1543 PolarHBondContact O-N 3.4Å; Q1540-L1543 VanDerWaalsContact O-N 3.11Å; Q1540-E1544 VanDerWaalsContact O-CB 3.27Å; Q1540-E1544 WeakPolarHBondContact O-CB 3.32Å; Q1540-E1544 PolarHBondContact O-N 2.94Å
1541K81.6Confident71.2Confident170 Ų170131.4 Ų131.474%0.73965%0.652SS**Hα-helixtrans-51.2-43.2170.7-83.5-170.1175-177.40111.1P1537 E1544 L1545P1537-K1541 PolarHBondContact O-N 3.4Å; K1541-E1544 PolarHBondContact O-N 3.3Å; K1541-L1545 WeakPolarHBondContact O-CB 3.12Å; K1541-L1545 PolarHBondContact O-N 2.65Å
1542R79.3Confident73.2Confident174 Ų174133.5 Ų133.566%0.65765%0.652SS**Hα-helixtrans-73.2-32.4179.4-158.6173.7-165179.46.8114.2A1538 Q1540 R1546A1538-R1542 VanDerWaalsContact O-CB 3.3Å; A1538-R1542 WeakPolarHBondContact O-CB 3.12Å; A1538-R1542 PolarHBondContact O-N 3.45Å; Q1540-R1542 PolarHBondContact O-N 3.38Å; R1542-R1546 WeakPolarHBondContact O-CG 3.01Å; R1542-R1546 PolarHBondContact O-N 3.02Å; R1542-R1546 VanDerWaalsContact O-N 3.1Å
1543L83.8Confident75Confident92 Ų92128 Ų12848%0.48263%0.631SS.*Hα-helixtrans-71.6-37.5172.9-157.389.9000111.2I1539 Q1540 R1546 R1547I1539-L1543 WeakPolarHBondContact O-CB 3.43Å; I1539-L1543 PolarHBondContact O-N 3.19Å; Q1540-L1543 PolarHBondContact O-N 3.4Å; Q1540-L1543 VanDerWaalsContact O-N 3.11Å; L1543-R1546 PolarHBondContact O-N 2.95Å; L1543-R1547 WeakPolarHBondContact O-CG 3.26Å; L1543-R1547 PolarHBondContact O-N 3.07Å
1544E83.2Confident77.2Confident96 Ų96129.9 Ų129.945%0.44963%0.625SS.*Hα-helixtrans-65.8-45.7175-166.6114.7-118.200111.3Q1540 K1541 R1546 R1547 K1548Q1540-E1544 VanDerWaalsContact O-CB 3.27Å; Q1540-E1544 WeakPolarHBondContact O-CB 3.32Å; Q1540-E1544 PolarHBondContact O-N 2.94Å; K1541-E1544 PolarHBondContact O-N 3.3Å; E1544-R1546 VanDerWaalsContact C-N 3.34Å; E1544-R1546 PolarHBondContact O-N 3.5Å; E1544-R1547 CarbonylContact O-C 3.57Å; E1544-R1547 WeakPolarHBondContact O-CA 3.34Å; E1544-R1547 WeakPolarHBondContact O-CB 3.33Å; E1544-R1547 PolarHBondContact O-N 3.21Å; E1544-R1547 VanDerWaalsContact O-N 3.09Å; E1544-K1548 PolarHBondContact O-N 3.33Å
1545L86.2Confident79Confident93 Ų93125.8 Ų125.849%0.48761%0.606SS.*Hα-helixtrans-58.9-44.3172.8-168.873.4000111.1K1541 R1547 K1548 Q1549K1541-L1545 WeakPolarHBondContact O-CB 3.12Å; K1541-L1545 PolarHBondContact O-N 2.65Å; L1545-R1547 VanDerWaalsContact C-N 3.33Å; L1545-R1547 PolarHBondContact O-N 2.79Å; L1545-K1548 PolarHBondContact O-N 3.05Å; L1545-Q1549 WeakPolarHBondContact O-CB 3.19Å; L1545-Q1549 VanDerWaalsContact O-CG 3.32Å; L1545-Q1549 WeakPolarHBondContact O-CG 3.14Å; L1545-Q1549 PolarHBondContact O-N 3.43Å
1546R86.4Confident80.9Confident168 Ų168120.9 Ų120.963%0.63459%0.589SS**Hα-helixtrans-64-34.1174.1-77.9-178.2174-170.3-1.1112.9R1542 L1543 E1544 H1550R1542-R1546 WeakPolarHBondContact O-CG 3.01Å; R1542-R1546 PolarHBondContact O-N 3.02Å; R1542-R1546 VanDerWaalsContact O-N 3.1Å; L1543-R1546 PolarHBondContact O-N 2.95Å; E1544-R1546 VanDerWaalsContact C-N 3.34Å; E1544-R1546 PolarHBondContact O-N 3.5Å; R1546-H1550 VanDerWaalsContact O-CB 3.26Å; R1546-H1550 WeakPolarHBondContact O-CB 3.23Å; R1546-H1550 PolarHBondContact O-N 3.16Å
1547R86.4Confident82Confident160 Ų160118.2 Ų118.260%0.60458%0.578SS**Hα-helixtrans-67.4-48.7171.9-75.5173.2176.8-175-0.1111.3L1543 E1544 L1545 Q1549 H1550 V1551L1543-R1547 WeakPolarHBondContact O-CG 3.26Å; L1543-R1547 PolarHBondContact O-N 3.07Å; E1544-R1547 CarbonylContact O-C 3.57Å; E1544-R1547 WeakPolarHBondContact O-CA 3.34Å; E1544-R1547 WeakPolarHBondContact O-CB 3.33Å; E1544-R1547 PolarHBondContact O-N 3.21Å; E1544-R1547 VanDerWaalsContact O-N 3.09Å; L1545-R1547 VanDerWaalsContact C-N 3.33Å; L1545-R1547 PolarHBondContact O-N 2.79Å; R1547-Q1549 PolarHBondContact O-N 3.38Å; R1547-H1550 PolarHBondContact O-N 3.33Å; R1547-V1551 WeakPolarHBondContact O-CB 3.42Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.24Å; R1547-V1551 PolarHBondContact O-N 3.39Å
1548K89.3Confident82.2Confident148 Ų148119.5 Ų119.564%0.64358%0.575SS**Hα-helixtrans-57.6-46175.4-72.7-176177.6-1760111.1E1544 L1545 V1551 K1552E1544-K1548 PolarHBondContact O-N 3.33Å; L1545-K1548 PolarHBondContact O-N 3.05Å; K1548-V1551 PolarHBondContact O-N 2.85Å; K1548-K1552 WeakPolarHBondContact O-CB 3.34Å; K1548-K1552 PolarHBondContact O-N 2.65Å
1549Q88.7Confident82.2Confident115 Ų115120.6 Ų120.654%0.53757%0.569SS.*Hα-helixtrans-63.7-45.2175.6-74.9176.6-15.400112.6L1545 R1547 V1551 K1552 A1553L1545-Q1549 WeakPolarHBondContact O-CB 3.19Å; L1545-Q1549 VanDerWaalsContact O-CG 3.32Å; L1545-Q1549 WeakPolarHBondContact O-CG 3.14Å; L1545-Q1549 PolarHBondContact O-N 3.43Å; R1547-Q1549 PolarHBondContact O-N 3.38Å; Q1549-V1551 VanDerWaalsContact C-N 3.32Å; Q1549-V1551 PolarHBondContact O-N 3.35Å; Q1549-K1552 PolarHBondContact O-N 3.07Å; Q1549-A1553 VanDerWaalsContact O-CB 3.27Å; Q1549-A1553 WeakPolarHBondContact O-CB 3.41Å; Q1549-A1553 PolarHBondContact O-N 3.14Å
1550H86.7Confident82.2Confident131 Ų131116.9 Ų116.961%0.60656%0.56SS**Hα-helixtrans-66.1-34.3177.6-167.8-31.7000111.8R1546 R1547 K1554R1546-H1550 VanDerWaalsContact O-CB 3.26Å; R1546-H1550 WeakPolarHBondContact O-CB 3.23Å; R1546-H1550 PolarHBondContact O-N 3.16Å; R1547-H1550 PolarHBondContact O-N 3.33Å; H1550-K1554 WeakPolarHBondContact O-CB 3.22Å; H1550-K1554 PolarHBondContact O-N 3.07Å
1551V87.1Confident81.6Confident86 Ų86116.6 Ų116.652%0.52156%0.562SS.*Hα-helixtrans-68-48.7172.41710000110.7R1547 K1548 Q1549 A1553 K1554 I1555R1547-V1551 WeakPolarHBondContact O-CB 3.42Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.24Å; R1547-V1551 PolarHBondContact O-N 3.39Å; K1548-V1551 PolarHBondContact O-N 2.85Å; Q1549-V1551 VanDerWaalsContact C-N 3.32Å; Q1549-V1551 PolarHBondContact O-N 3.35Å; V1551-A1553 VanDerWaalsContact C-N 3.35Å; V1551-A1553 PolarHBondContact O-N 3.29Å; V1551-K1554 PolarHBondContact O-N 3.26Å; V1551-K1554 VanDerWaalsContact O-N 3.13Å; V1551-I1555 HydrophobicContact CG1-CD1 3.74Å; V1551-I1555 HydrophobicContact CG1-CG1 4.4Å; V1551-I1555 WeakPolarHBondContact O-CG1 3.14Å; V1551-I1555 PolarHBondContact O-N 2.84Å
1552K87.4Confident80.9Confident150 Ų150114.9 Ų114.965%0.65256%0.56SS**Hα-helixtrans-59.2-42.9177.2-168.8170.8-176.3174.10111.8K1548 Q1549 I1555 L1556K1548-K1552 WeakPolarHBondContact O-CB 3.34Å; K1548-K1552 PolarHBondContact O-N 2.65Å; Q1549-K1552 PolarHBondContact O-N 3.07Å; K1552-I1555 PolarHBondContact O-N 3.26Å; K1552-L1556 HydrophobicContact CG-CD1 4.17Å; K1552-L1556 WeakPolarHBondContact O-CB 3.27Å; K1552-L1556 WeakPolarHBondContact O-CG 3.48Å; K1552-L1556 PolarHBondContact O-N 3.3Å
1553A81.5Confident80Confident58 Ų58110.9 Ų110.948%0.47956%0.559SS.*Hα-helixtrans-65.3-39174.800000112.6Q1549 V1551 L1556 A1557Q1549-A1553 VanDerWaalsContact O-CB 3.27Å; Q1549-A1553 WeakPolarHBondContact O-CB 3.41Å; Q1549-A1553 PolarHBondContact O-N 3.14Å; V1551-A1553 VanDerWaalsContact C-N 3.35Å; V1551-A1553 PolarHBondContact O-N 3.29Å; A1553-L1556 PolarHBondContact O-N 3.34Å; A1553-A1557 VanDerWaalsContact O-CB 3.31Å; A1553-A1557 WeakPolarHBondContact O-CB 3.11Å; A1553-A1557 PolarHBondContact O-N 3.1Å
1554K85.1Confident78.4Confident150 Ų150111.6 Ų111.665%0.65257%0.567SS**Hα-helixtrans-70.4-34.7177-166.2175.1-174.8-177.70112.2H1550 V1551 H1558H1550-K1554 WeakPolarHBondContact O-CB 3.22Å; H1550-K1554 PolarHBondContact O-N 3.07Å; V1551-K1554 PolarHBondContact O-N 3.26Å; V1551-K1554 VanDerWaalsContact O-N 3.13Å; K1554-H1558 WeakPolarHBondContact O-CB 3.5Å; K1554-H1558 PolarHBondContact O-N 3.44Å; K1554-H1558 VanDerWaalsContact O-N 3.11Å
1555I82.1Confident76.5Confident101 Ų101114.1 Ų114.152%0.51858%0.584SS.*Hα-helixtrans-68.2-48.5172.1-68.4169.2000110.2V1551 K1552 A1557 H1558 E1559V1551-I1555 HydrophobicContact CG1-CD1 3.74Å; V1551-I1555 HydrophobicContact CG1-CG1 4.4Å; V1551-I1555 WeakPolarHBondContact O-CG1 3.14Å; V1551-I1555 PolarHBondContact O-N 2.84Å; K1552-I1555 PolarHBondContact O-N 3.26Å; I1555-A1557 VanDerWaalsContact C-N 3.34Å; I1555-A1557 PolarHBondContact O-N 3.09Å; I1555-H1558 CarbonylContact O-C 3.54Å; I1555-H1558 WeakPolarHBondContact O-CA 3.3Å; I1555-H1558 PolarHBondContact O-N 3.33Å; I1555-E1559 PolarHBondContact O-N 2.86Å
1556L80Confident74.5Confident98 Ų98116 Ų11651%0.51360%0.595SS.*Hα-helixtrans-61.4-39.1177.8-76.3168.3000112.6K1552 A1553 H1558 E1559 A1560K1552-L1556 HydrophobicContact CG-CD1 4.17Å; K1552-L1556 WeakPolarHBondContact O-CB 3.27Å; K1552-L1556 WeakPolarHBondContact O-CG 3.48Å; K1552-L1556 PolarHBondContact O-N 3.3Å; A1553-L1556 PolarHBondContact O-N 3.34Å; L1556-H1558 VanDerWaalsContact C-N 3.32Å; L1556-H1558 PolarHBondContact O-N 3.07Å; L1556-E1559 PolarHBondContact O-N 2.75Å; L1556-A1560 VanDerWaalsContact O-CB 3.22Å; L1556-A1560 WeakPolarHBondContact O-CB 3.23Å; L1556-A1560 PolarHBondContact O-N 3.43Å
1557A75.7Confident72.2Confident52 Ų52114.6 Ų114.643%0.4361%0.608SS.*Hα-helixtrans-63.1-38.817200000111.8A1553 I1555 L1561A1553-A1557 VanDerWaalsContact O-CB 3.31Å; A1553-A1557 WeakPolarHBondContact O-CB 3.11Å; A1553-A1557 PolarHBondContact O-N 3.1Å; I1555-A1557 VanDerWaalsContact C-N 3.34Å; I1555-A1557 PolarHBondContact O-N 3.09Å; A1557-L1561 WeakPolarHBondContact O-CB 3.28Å; A1557-L1561 WeakPolarHBondContact O-CD1 3.48Å; A1557-L1561 VanDerWaalsContact O-CG 3.23Å; A1557-L1561 WeakPolarHBondContact O-CG 3.11Å; A1557-L1561 PolarHBondContact O-N 2.75Å
1558H73.8Confident70.2Confident119 Ų119111.8 Ų111.855%0.55161%0.614SS**Hα-helixtrans-74.9-32.5178.4-155-54.4000113K1554 I1555 L1556 L1562K1554-H1558 WeakPolarHBondContact O-CB 3.5Å; K1554-H1558 PolarHBondContact O-N 3.44Å; K1554-H1558 VanDerWaalsContact O-N 3.11Å; I1555-H1558 CarbonylContact O-C 3.54Å; I1555-H1558 WeakPolarHBondContact O-CA 3.3Å; I1555-H1558 PolarHBondContact O-N 3.33Å; L1556-H1558 VanDerWaalsContact C-N 3.32Å; L1556-H1558 PolarHBondContact O-N 3.07Å; H1558-L1562 VanDerWaalsContact ND1-CD1 3.34Å; H1558-L1562 WeakPolarHBondContact ND1-CD1 3.44Å; H1558-L1562 WeakPolarHBondContact O-CB 3.03Å; H1558-L1562 WeakPolarHBondContact O-CG 3.39Å; H1558-L1562 PolarHBondContact O-N 3.49Å
1559E73Confident67.9Low89 Ų89110.7 Ų110.742%0.41662%0.624SS.*Hα-helixtrans-74.9-36.1173.9-168.8174.9-169.400111.2R4 I1555 L1556 L1562 S1563R4-E1559 IonicContact NH2-OE1 3.7Å; R4-E1559 PolarHBondContact NH2-OE1 2.8Å; I1555-E1559 PolarHBondContact O-N 2.86Å; L1556-E1559 PolarHBondContact O-N 2.75Å; E1559-L1562 CarbonylContact O-C 3.6Å; E1559-L1562 PolarHBondContact O-N 3.38Å; E1559-S1563 WeakPolarHBondContact O-CB 3.3Å; E1559-S1563 PolarHBondContact O-N 2.82Å
1560A71.4Confident65.5Low63 Ų63111.1 Ų111.152%0.52164%0.639SS.*Hα-helixtrans-63.6-42.3171.600000112L1556 L1562 S1563L1556-A1560 VanDerWaalsContact O-CB 3.22Å; L1556-A1560 WeakPolarHBondContact O-CB 3.23Å; L1556-A1560 PolarHBondContact O-N 3.43Å; A1560-L1562 VanDerWaalsContact C-N 3.34Å; A1560-S1563 WeakPolarHBondContact O-CB 3.03Å; A1560-S1563 PolarHBondContact O-N 3.29Å
1561L65.5Low63.2Low136 Ų136112 Ų11271%0.71265%0.648SS**Hα-helixtrans-71.1-25.1175.3-72.2169.2000113.4A1557 S1563A1557-L1561 WeakPolarHBondContact O-CB 3.28Å; A1557-L1561 WeakPolarHBondContact O-CD1 3.48Å; A1557-L1561 VanDerWaalsContact O-CG 3.23Å; A1557-L1561 WeakPolarHBondContact O-CG 3.11Å; A1557-L1561 PolarHBondContact O-N 2.75Å; L1561-S1563 VanDerWaalsContact C-N 3.3Å
1562L66.1Low60.9Low133 Ų133113.6 Ų113.670%0.69666%0.662SS**THydrogen-bonded Turntrans-85.85171.8-72.4172.3000113.4H1558 E1559 A1560H1558-L1562 VanDerWaalsContact ND1-CD1 3.34Å; H1558-L1562 WeakPolarHBondContact ND1-CD1 3.44Å; H1558-L1562 WeakPolarHBondContact O-CB 3.03Å; H1558-L1562 WeakPolarHBondContact O-CG 3.39Å; H1558-L1562 PolarHBondContact O-N 3.49Å; E1559-L1562 CarbonylContact O-C 3.6Å; E1559-L1562 PolarHBondContact O-N 3.38Å; A1560-L1562 VanDerWaalsContact C-N 3.34Å
1563S60.6Low58.5Low90 Ų90109.9 Ų109.963%0.62967%0.665SS**THydrogen-bonded Turntrans-95.4-4.9-175.1-125.80000114.9E1559 A1560 L1561E1559-S1563 WeakPolarHBondContact O-CB 3.3Å; E1559-S1563 PolarHBondContact O-N 2.82Å; A1560-S1563 WeakPolarHBondContact O-CB 3.03Å; A1560-S1563 PolarHBondContact O-N 3.29Å; L1561-S1563 VanDerWaalsContact C-N 3.3Å
1564T50.2Low56.2Low107 Ų107116.9 Ų116.966%0.65669%0.686SS**  trans-134.146.5-164.660.80000115.5
1565D44.5Very low54Low149 Ų149115.4 Ų115.480%0.79769%0.689SS**  trans-140.6141.1154.7-71.1-54.9000106.4
1566D42.9Very low51.8Low134 Ų134120 Ų12072%0.71771%0.706SS**  cis-119.3154.53.1-100.3-67.1000111.6
1567C39.4Very low50Low137 Ų137124.5 Ų124.593%0.92672%0.721SS**  trans-134.186.6166.2-85.40000110.7
1568S43Very low48.3Very low102 Ų102127.7 Ų127.771%0.71374%0.74SS**  trans-13652.2-171.850.50000114.1
1569S41.8Very low47Very low124 Ų124127.2 Ų127.287%0.86775%0.748SS**  trans-151.990.6160.1-169.70000111.1
1570C37.2Very low45.6Very low124 Ų124128 Ų12884%0.83876%0.763SS**  trans-104.7129.5168.9-67.80000109.1
1571D38.1Very low44.2Very low151 Ų151130.5 Ų130.581%0.80777%0.774SS**  trans-157.2157.4133.6-139.1-27.1000112.9
1572C40.3Very low43.4Very low119 Ų119131.7 Ų131.780%0.80478%0.776SS**  trans31.4114161.1-69.70000119.5
1573G36.6Very low41.8Very low71 Ų71135.3 Ų135.373%0.73278%0.78SS**  cis125.21102.200000113.1
1574F33.9Very low40.6Very low206 Ų206139.6 Ų139.690%0.90480%0.795SS**  trans-150.1144.1166-112.8-80.8000110.5
1575T37.4Very low39.7Very low119 Ų119138.8 Ų138.873%0.7379%0.793SS**  trans-140.1131-172.954.90000114.2
1576F36.1Very low39.3Very low197 Ų197140.2 Ų140.286%0.86480%0.799SS**  trans-157101.9157.9-90.9-79.2000106.9
1577K42.8Very low38.9Very low193 Ų193139.4 Ų139.484%0.83980%0.8SS**  61.993.569.7-78.7-169.4170.1179.20116.3
1578S40.5Very low38.7Very low118 Ų118138 Ų13883%0.82579%0.792SS**  -165.3157.2127.150.60000110.1
1579P45.9Very low38.4Very low110 Ų110139.5 Ų139.571%0.71479%0.791SS**  trans-134.1164.9-138.442-27.5000119.2
1580S43.2Very low38.3Very low105 Ų105141 Ų14173%0.73479%0.789SS**  trans67.2159150.363.30000118.5
1581P43.4Very low38.6Very low115 Ų115142.4 Ų142.475%0.74779%0.788SS**  cis-111.7-172-1.446-35.5000111.2
1582E47.1Very low38.8Very low162 Ų162142.1 Ų142.176%0.75779%0.787SS**  cis-149.9-166.9-11.4-137.9-6.593.400110.2
1583R33.9Very low39Very low208 Ų208143.1 Ų143.179%0.78578%0.784SS**  trans-137.9148.9172.1-73.5-178.1168-173.6-5.6115.3
1584L34.3Very low38.9Very low181 Ų181146.5 Ų146.595%0.94879%0.79SS**  trans-120.6135.2148.3-86169.8000109
1585C31.5Very low39.4Very low89 Ų89142.8 Ų142.860%0.60178%0.778SS**  trans-144.7130.9178.4-59.20000109.9
1586L36.2Very low39.2Very low179 Ų179145 Ų14594%0.93779%0.785SS**  trans-137.7148.5161.6-79.6176.7000108.8
1587T33.8Very low39.5Very low118 Ų118141.7 Ų141.772%0.72478%0.781SS**  trans-149.6135.6-159.250.90000112.6
1588S35.7Very low39.2Very low108 Ų108135.8 Ų135.876%0.75578%0.775SS**  trans68.4161.2161.581.70000116.2
1589N37Very low39.1Very low132 Ų132135 Ų13571%0.70678%0.775SS**  cis-153.7144.415.4-145.2-0.3000114.2D1591N1589-D1591 PolarHBondContact O-N 3.13Å
1590L40Very low38.6Very low157 Ų157140.7 Ų140.782%0.82278%0.783SS**  trans19.182.6153.1-66.6163.6000119.9
1591D42.2Very low38.4Very low153 Ų153146.4 Ų146.482%0.81879%0.788SS**SBend179.1101.6126.7-105.7-14.1000111N1589N1589-D1591 PolarHBondContact O-N 3.13Å
1592N43Very low38.2Very low145 Ų145151.5 Ų151.578%0.77579%0.793SS**SBendtrans61.3163.2-176.8-57.2-57.5000116.9
1593D45.4Very low37.8Very low139 Ų139151.4 Ų151.474%0.74379%0.792SS**  trans43.577.5165-57.4-14.6000118.7I1595D1593-I1595 HydrophobicContact CB-CG1 4.41Å; D1593-I1595 PolarHBondContact O-N 2.81Å
1594V34.5Very low38Very low142 Ų142147.2 Ų147.286%0.86180%0.795SS**  trans-7787.9161.7-177.90000109.6
1595I43.1Very low38.4Very low129 Ų129143.3 Ų143.366%0.66278%0.783SS**  trans-78.9118.5174.4-59175.8000109.5D1593 T1597D1593-I1595 HydrophobicContact CB-CG1 4.41Å; D1593-I1595 PolarHBondContact O-N 2.81Å; I1595-T1597 HydrophobicContact CG2-CG2 3.78Å; I1595-T1597 PolarHBondContact O-N 3.34Å
1596L33.7Very low39.2Very low166 Ų166146.8 Ų146.887%0.86980%0.795SS**  trans-90.670.8179-149.4101.8000112G1598L1596-G1598 PolarHBondContact O-N 3.23Å
1597T42.9Very low39.4Very low126 Ų126143.9 Ų143.977%0.77379%0.79SS**  trans-89.578.2178.629.50000112.9I1595I1595-T1597 HydrophobicContact CG2-CG2 3.78Å; I1595-T1597 PolarHBondContact O-N 3.34Å
1598G35.4Very low40Very low70 Ų70141.8 Ų141.872%0.72279%0.792SS**  trans-93.7100.3168.800000111.9L1596 W1600L1596-G1598 PolarHBondContact O-N 3.23Å; G1598-W1600 PolarHBondContact O-N 3.39Å
1599A38.2Very low40.7Very low100 Ų100144.1 Ų144.183%0.82680%0.796SS**  trans-75.8113.8-175.500000113R1601A1599-R1601 PolarHBondContact O-N 3.29Å
1600W36Very low41Very low231 Ų231148.7 Ų148.788%0.87580%0.803SS**  trans-79.5112.2162.5-109.364.6000109.6G1598G1598-W1600 PolarHBondContact O-N 3.39Å
1601R38.2Very low41.4Very low224 Ų224150.8 Ų150.885%0.84581%0.805SS**  trans-107.889.2179.8-174.9-170.8-121.5-123.80.1109.8A1599A1599-R1601 PolarHBondContact O-N 3.29Å
1602R41.1Very low41.4Very low223 Ų223147.9 Ų147.984%0.84280%0.798SS**  trans-64.1141.4160.4-76.6-167.4176.4-145.72.6108.5
1603Q37.5Very low41.4Very low159 Ų159150 Ų15074%0.74380%0.803SS**  trans-101.3114.6-178.4-64.4174.3-105.400109.4
1604S38.2Very low41.2Very low121 Ų121149.6 Ų149.685%0.84680%0.799SS**  trans-71.5141.9147.151.50000108.1
1605S42.8Very low41.5Very low99 Ų99149.5 Ų149.569%0.69279%0.794SS**  trans-145.672.5-175.6-64.80000110.8
1606D48.8Very low41.3Very low162 Ų162151.2 Ų151.287%0.86680%0.799SS**  trans-127.6135.2155.8-162.1-5.1000109.4
1607S39.8Very low41.6Very low118 Ų118149.5 Ų149.583%0.82579%0.791SS**  trans-167.7103.4-177.164.80000112.9
1608G47.8Very low41.3Very low74 Ų74153.5 Ų153.576%0.76379%0.792SS**  trans-164.5145.816400000109.9
1609D49.4Very low41.5Very low156 Ų156156 Ų15683%0.83479%0.787SS**  cis-146.9161.2-7.2-171.613.5000109.4
1610R43.7Very low41.7Very low228 Ų228157.8 Ų157.886%0.8678%0.783SS**  trans-114.8122.2-169.5-89.4-178.4165.9-178.7-2.6114.2
1611K48.3Very low41.9Very low201 Ų201152.6 Ų152.687%0.87478%0.777SS**  trans-141.9128152.3-64.6177.5-174.2153.60109.6
1612S42.4Very low41.9Very low93 Ų93145.2 Ų145.265%0.6576%0.764SS**  cis103.48014-174.30000116.4
1613Q42.2Very low41.9Very low190 Ų190142.9 Ų142.989%0.88876%0.763SS**  trans-170.5129.2140.3-103.3162.526.600107.8
1614I41.7Very low42.1Very low130 Ų130142.3 Ų142.367%0.66776%0.759SS**  cis104.3115.818.4-62.6175.3000114.4
1615N41.2Very low42.5Very low139 Ų139143 Ų14374%0.74375%0.752SS**  trans68.2101.8159.7-67.9-10.2000121.4
1616Q37.5Very low42.6Very low165 Ų165143.8 Ų143.877%0.77175%0.749SS**  33.1143.9110.9-66-169.5-5.300121.5
1617N40.7Very low42.4Very low131 Ų131142.2 Ų142.270%0.70174%0.74SS**  trans107.4131.6130.5-106.5-50000119.9
1618R37.2Very low42.5Very low209 Ų209145.7 Ų145.779%0.78974%0.735SS**  trans85.8112.3148.7-74.7-175.6157.2-165.3-5.6122.7
1619I39.7Very low42.3Very low124 Ų124148.4 Ų148.464%0.63673%0.728SS**  86.5116.3116.4-71.8173.3000119.7
1620N41.3Very low42.2Very low137 Ų137147.6 Ų147.673%0.73372%0.724SS**  trans73.2112.6141.2-7120.3000123.5
1621T39.6Very low42.2Very low122 Ų122144 Ų14475%0.74872%0.717SS**  86.8132.7108.4-580000121.3
1622A39.6Very low41.8Very low69 Ų69140.8 Ų140.857%0.5771%0.708SS**  trans78.8120.3153.100000120.4
1623E40.8Very low41.9Very low174 Ų174141 Ų14181%0.81371%0.708SS**  trans67149.8134.7-59.1165.6-168.700117.2
1624H41.4Very low41.9Very low146 Ų146138 Ų13868%0.67670%0.702SS**  cis-165.1120.431-154.6-92.6000111.2
1625I46.4Very low41.9Very low135 Ų135137.9 Ų137.969%0.69271%0.707SS**  trans75.1136.9139.1-104.1178.6000123.7
1626N44.8Very low42Very low117 Ų117137.2 Ų137.263%0.62671%0.71SS**  trans69.8145.9157.7-67.434.8000120
1627D44.2Very low42.1Very low128 Ų128133.8 Ų133.868%0.68471%0.705SS**  cis-163.6163.6-7-106.7-13.5000112
1628R41.6Very low42.1Very low191 Ų191134.7 Ų134.772%0.72171%0.708SS**  trans75.3115.6171.5-55.9-149.6107.58615.6116.1
1629E44.9Very low42.3Very low132 Ų132131.2 Ų131.262%0.61771%0.705SS**  83.8131.259.5-74.1168-158.400112.9
1630D46Very low42.3Very low139 Ų139131.6 Ų131.674%0.74371%0.707SS**  cis177158.7-34.1-97.7-36.7000106.1
1631E44.1Very low42.2Very low153 Ų153130.5 Ų130.572%0.71571%0.706SS**  cis-109.1-169.6-1.3-90.5-154.366.700109.8
1632L40.1Very low42.2Very low132 Ų132131 Ų13169%0.69170%0.703SS**  cis68.5158.727.6-78.8171.7000114.7V1634L1632-V1634 HydrophobicContact CD2-CG2 4.42Å
1633P43.9Very low42Very low99 Ų99136.8 Ų136.864%0.64372%0.716SS**  cis-135.9144.9-4.531.8-10.2000118.4
1634V42.4Very low42Very low126 Ų126135 Ų13576%0.76471%0.711SS**  67.8131.3126.9179.20000123L1632L1632-V1634 HydrophobicContact CD2-CG2 4.42Å
1635V43.3Very low41.9Very low128 Ų128134 Ų13478%0.77671%0.71SS**  trans-77.2150.4166.4-155.80000111.7
1636P43.3Very low41.7Very low124 Ų124134 Ų13481%0.80571%0.712SS**  -142.7162120.137.9-24.6000115.8
1637S39.8Very low41.2Very low94 Ų94134.9 Ų134.966%0.65772%0.716SS**  trans-93.8156.1-16855.70000116.2
1638I40.2Very low40.8Very low149 Ų149135.9 Ų135.976%0.76472%0.717SS**  trans91.3117.1139-77.7160.3000120.9
1639N41.7Very low40.6Very low136 Ų136132.6 Ų132.673%0.72772%0.718SS**  trans89.6132.2139.7-92.2-7.2000125.9
1640I39.4Very low40Very low132 Ų132131.3 Ų131.368%0.67772%0.724SS**  trans9396.6134.6-73.5166.3000119.7
1641T38Very low39.7Very low115 Ų115129.7 Ų129.771%0.70672%0.723SS**  trans75.3140.1138.857.90000123.1
1642N40.7Very low39.3Very low132 Ų132129.2 Ų129.271%0.70672%0.721SS**  trans84.6101.4149-67.7-0.9000120.5
1643F34.4Very low39Very low190 Ų190131 Ų13183%0.83372%0.72SS**  68.8156.7123.2-89.7-85.6000121.1
1644I41Very low38.7Very low138 Ų138133.3 Ų133.371%0.70872%0.722SS**  trans85.5100.8159.4-71.8157.5000117.1
1645D39.4Very low38.2Very low123 Ų123133.7 Ų133.766%0.65872%0.72SS**  80.5122.2126.4-63.216.9000123.4
1646N41.9Very low38.2Very low137 Ų137136.7 Ų136.773%0.73373%0.727SS**  64.698.6123.7-56.3-23.3000121.1
1647N35.1Very low37.8Very low134 Ų134136.8 Ų136.872%0.71772%0.721SS**  79.4151.7106.9-16029.1000120.6
1648E35.5Very low37.8Very low150 Ų150140.7 Ų140.770%0.70173%0.731SS**  trans83.5145.7147-112.7169.2-113.200122.9
1649T37Very low37.7Very low122 Ų122138.9 Ų138.975%0.74872%0.723SS**  trans71.491.7157.6580000121.1
1650S33.8Very low37.5Very low105 Ų105141.4 Ų141.473%0.73473%0.727SS**  110.6126.593.5-168.10000119.3
1651S38.4Very low37.6Very low104 Ų104139.8 Ų139.873%0.72773%0.726SS**  trans70.3152.715384.60000116.8
1652H35.4Very low37.8Very low143 Ų143140.8 Ų140.866%0.66273%0.727SS**  cis-161.3145.17.2-153.243.8000110.8
1653Y35.4Very low37.5Very low170 Ų170145.1 Ų145.167%0.66773%0.733SS**  trans61.3126.5138.8-89.3-153.4000124
1654Q36.3Very low37.4Very low147 Ų147141.6 Ų141.669%0.68772%0.723SS**  107.798123.8-81.1178.6-5.300121.6
1655D33.2Very low37Very low135 Ų135139.1 Ų139.172%0.72272%0.718SS**  49.7100113.5-65.7-35.8000120.4
1656M42.1Very low36.7Very low190 Ų190142.2 Ų142.294%0.93673%0.726SS**  -157.393.3128.8-65-158.4-17100108.6
1657N34.2Very low36.3Very low126 Ų126139.6 Ų139.667%0.67472%0.723SS**  45.897.272.6-170.6-5.6000115N1659N1657-N1659 PolarHBondContact OD1-ND2 3.12Å
1658M40.6Very low36.1Very low177 Ų177144.5 Ų144.587%0.87273%0.731SS**  trans-171.8105.8134.6-78.9-128.6-176.900110
1659N38.5Very low36.2Very low110 Ų110145.9 Ų145.959%0.58874%0.735SS**  68.998.786-88.6-68.1000117.7N1657N1657-N1659 PolarHBondContact OD1-ND2 3.12Å
1660K36.5Very low36.3Very low189 Ų189149.9 Ų149.982%0.82274%0.738SS**  62.7165.1122.1-82174.7-177.4154.60120
1661P42.5Very low36.7Very low99 Ų99151.2 Ų151.264%0.64374%0.735SS**  cis-130.2153.61.438.3-21.8000116.8R1663P1661-R1663 PolarHBondContact O-N 3.34Å
1662N42.8Very low37Very low135 Ų135152.1 Ų152.172%0.72273%0.732SS**  trans-52130147.3164.4-17.8000110N1664N1662-N1664 PolarHBondContact OD1-N 3.48Å
1663R33.4Very low37.3Very low223 Ų223153.9 Ų153.984%0.84274%0.741SS**  trans-135.995.6154.2-82.2-158.1171.1-178.8-0.4114.7P1661P1661-R1663 PolarHBondContact O-N 3.34Å
1664N32.6Very low37.8Very low117 Ų117156.7 Ų156.763%0.62677%0.767SS**  51.297.6111.7-97.7-77.4000117.6N1662N1662-N1664 PolarHBondContact OD1-N 3.48Å
1665S31.8Very low37.9Very low85 Ų85157.2 Ų157.259%0.59477%0.771SS**  63.3153.7109.176.60000120.8
1666K33Very low38.1Very low189 Ų189158.4 Ų158.482%0.82277%0.774SS**  trans89.888.3169.6-59.1173.6-178.6170.70117.8
1667A33.7Very low37.9Very low81 Ų81156.6 Ų156.667%0.66977%0.765SS**  69.4136.4100.800000120
1668W31.6Very low38.1Very low238 Ų238158.4 Ų158.490%0.90277%0.77SS**  trans69.295.7160.2-61.820.6000116.8
1669K38.1Very low38Very low179 Ų179157.3 Ų157.378%0.77876%0.764SS**  172.6127.896.3-94.6-171.8175.3-173.70114.9
1670Y39.1Very low37.9Very low206 Ų206160.4 Ų160.481%0.80878%0.775SS**  45.6129.7108.6-108.8-44.4000120.1
1671I41.4Very low38.1Very low133 Ų133158.4 Ų158.468%0.68277%0.772SS**  trans99.4123.3144-64.9-178.2000118.4
1672D44.8Very low37.7Very low123 Ų123162.9 Ų162.966%0.65878%0.782SS**  trans64103.6155.2-55.5-4000121.9
1673E41.4Very low37.3Very low180 Ų180165.3 Ų165.384%0.84179%0.787SS**  45118.5106.1-61.1174.1178.900118.7
1674N46.6Very low37.6Very low229 Ų229160 Ų160100%1.22578%0.782SS**  -153.8099.4-156.5115.6000109.9

Retrieved 1,674 of 1,674 residues in 326.2 ms (Link to these results)