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Fructose-bisphosphatase

Catalyzes the hydrolysis of fructose 1,6-bisphosphate to fructose 6-phosphate in the presence of divalent cations and probably participates in glycogen synthesis from carbohydrate precursors, such as lactate.

AlphaFold DB , UniProt , Accession G4VML1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 aa.

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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
1M37.9Very low60.7Low244 Ų244133.2 Ų133.2100%1.20276%0.758SS**  0112.20-73172.9175.800106.1S3M1-S3 PolarHBondContact O-N 3.12Å
2S37Very low63.6Low126 Ų126125 Ų12588%0.88171%0.71SS**  trans-60.3112.2-177.443.80000110.2D4S2-D4 PolarHBondContact O-N 3.05Å
3S46.6Very low66.1Low108 Ų108117.2 Ų117.276%0.75567%0.666SS**  trans-72.9107.9167.353.20000107.9M1 S5M1-S3 PolarHBondContact O-N 3.12Å; S3-S5 PolarHBondContact O-N 2.63Å
4D51.2Low68.3Low158 Ų158108.8 Ų108.885%0.84562%0.618SS**  trans-56.8105166.2-165.58.9000108S2 G6S2-D4 PolarHBondContact O-N 3.05Å; D4-G6 PolarHBondContact O-N 2.93Å
5S54.5Low70.2Confident119 Ų119103.9 Ų103.983%0.83259%0.592SS**  trans-82.145.8179.963.10000110.8S3S3-S5 PolarHBondContact O-N 2.63Å
6G52.5Low71.7Confident49 Ų49103.1 Ų103.151%0.50558%0.576SS.*  trans-71.2150.4168.300000110.2D4 E8D4-G6 PolarHBondContact O-N 2.93Å; G6-E8 PolarHBondContact O-N 3.03Å
7L61.4Low73.2Confident163 Ų16397.5 Ų97.585%0.85355%0.545SS*.  trans-61103.3172-165.390.6000108.4T9L7-T9 HydrophobicContact CD2-CG2 3.89Å; L7-T9 HydrophobicContact CG-CG2 4.46Å; L7-T9 PolarHBondContact O-N 3.01Å
8E70.8Confident74.4Confident169 Ų16992.4 Ų92.479%0.7952%0.516SS*.  trans-73.699.4178.3-170.7172.6-167.300109.3G6G6-E8 PolarHBondContact O-N 3.03Å
9T81.2Confident75.4Confident108 Ų10891.7 Ų91.766%0.66351%0.51SS*.  trans-86.5-10.3179.457.20000113.3L7 Y11L7-T9 HydrophobicContact CD2-CG2 3.89Å; L7-T9 HydrophobicContact CG-CG2 4.46Å; L7-T9 PolarHBondContact O-N 3.01Å; T9-Y11 PolarHBondContact O-N 3.01Å
10D85.9Confident76.4Confident98 Ų9891.2 Ų91.252%0.52450%0.503SS..  trans-94.260.1-178.4-165.730.3000112.2R16D10-R16 IonicContact OD1-CZ 3.05Å; D10-R16 VanDerWaalsContact OD1-CZ 3.3Å; D10-R16 IonicContact OD1-NH1 3.76Å; D10-R16 PolarHBondContact OD1-NH1 3.41Å; D10-R16 IonicContact OD1-NH2 3.98Å; D10-R16 PolarHBondContact OD1-NH2 3.33Å; D10-R16 IonicContact OD2-CZ 3.41Å; D10-R16 IonicContact OD2-NH1 3.36Å; D10-R16 IonicContact OD2-NH2 3.91Å; D10-R16 PolarHBondContact OD2-NH2 3.12Å; D10-R16 VanDerWaalsContact OD2-NH2 3.12Å
11Y88.9Confident77.2Confident123 Ų12387.5 Ų87.548%0.48248%0.483SS..  trans-72.5139176.649.7-96.3000111.9T9 T13 R16 I195 I199T9-Y11 PolarHBondContact O-N 3.01Å; Y11-T13 HydrophobicContact CD2-CG2 4.07Å; Y11-T13 HydrophobicContact CE2-CG2 4.15Å; Y11-T13 PolarHBondContact O-N 3.26Å; Y11-R16 PolarHBondContact O-NH1 2.9Å; Y11-I195 HydrophobicContact CE2-CD1 4.42Å; Y11-I199 HydrophobicContact CD2-CD1 3.54Å; Y11-I199 HydrophobicContact CE2-CD1 4.04Å; Y11-I199 HydrophobicContact CG-CD1 4.29Å
12L95.2Very high79.7Confident35 Ų3578.6 Ų78.618%0.18344%0.438CS..  trans-90.2105.3178.8-171.561.2000110.3R16 F17 L200L12-R16 HydrophobicContact CD1-CB 3.81Å; L12-R16 HydrophobicContact CD1-CG 3.46Å; L12-R16 VanDerWaalsContact CD1-CG 3.46Å; L12-F17 HydrophobicContact CD2-CB 4.18Å; L12-F17 HydrophobicContact CD2-CD2 3.99Å; L12-F17 HydrophobicContact CG-CB 4.15Å; L12-L200 HydrophobicContact CB-CB 4.17Å; L12-L200 HydrophobicContact CB-CD2 4.43Å; L12-L200 HydrophobicContact CD2-CD2 3.75Å; L12-L200 HydrophobicContact CG-CD2 4.47Å; L12-L200 WeakPolarHBondContact O-CB 3.25Å; L12-L200 PolarHBondContact O-N 3.19Å
13T96.9Very high82.4Confident23 Ų2382.6 Ų82.614%0.14143%0.434CS..BIsolated β-bridgetrans-72.2156.8172.968.90000111.2Y11 T15 R16 F17 E197 F198 I199Y11-T13 HydrophobicContact CD2-CG2 4.07Å; Y11-T13 HydrophobicContact CE2-CG2 4.15Å; Y11-T13 PolarHBondContact O-N 3.26Å; T13-T15 VanDerWaalsContact C-N 3.28Å; T13-T15 PolarHBondContact O-N 3.16Å; T13-R16 PolarHBondContact O-N 2.85Å; T13-R16 VanDerWaalsContact O-N 3.15Å; T13-R16 WeakPolarHBondContact OG1-CB 3.35Å; T13-R16 PolarHBondContact OG1-N 3.46Å; T13-F17 WeakPolarHBondContact O-CB 3.26Å; T13-F17 PolarHBondContact O-N 3.37Å; T13-E197 HydrophobicContact CG2-CB 4.4Å; T13-E197 HydrophobicContact CG2-CG 4.48Å; T13-F198 CarbonylContact C-O 3.45Å; T13-F198 VanDerWaalsContact CA-O 3.27Å; T13-F198 WeakPolarHBondContact CA-O 3.43Å; T13-I199 HydrophobicContact CG2-CD1 3.9Å
14L96.8Very high84.5Confident0 Ų083.1 Ų83.10%042%0.423CS..Hα-helixtrans-54.5-45.5174173.659.6000111.8R16 F17 I18 Q40 L178 L180 F189 F198L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.36Å; L14-F17 WeakPolarHBondContact O-CB 3.37Å; L14-F17 PolarHBondContact O-N 3.47Å; L14-I18 HydrophobicContact CD1-CD1 4.15Å; L14-I18 HydrophobicContact CD1-CG1 3.78Å; L14-I18 HydrophobicContact CG-CG1 4.36Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 2.98Å; L14-Q40 HydrophobicContact CD2-CB 3.91Å; L14-L178 HydrophobicContact CD2-CD2 3.47Å; L14-L178 VanDerWaalsContact CD2-CD2 3.47Å; L14-L180 HydrophobicContact CD1-CD2 3.59Å; L14-F189 HydrophobicContact CB-CD1 3.91Å; L14-F189 HydrophobicContact CB-CE1 4.13Å; L14-F189 HydrophobicContact CB-CG 4.33Å; L14-F189 HydrophobicContact CD1-CD1 4.36Å; L14-F189 HydrophobicContact CD1-CD2 4.1Å; L14-F189 HydrophobicContact CD1-CE1 4.1Å; L14-F189 HydrophobicContact CD1-CE2 3.83Å; L14-F189 HydrophobicContact CD1-CG 4.39Å; L14-F189 HydrophobicContact CD1-CZ 3.84Å; L14-F198 HydrophobicContact CB-CB 3.75Å; L14-F198 HydrophobicContact CD2-CB 4.28Å; L14-F198 HydrophobicContact CD2-CD2 4.41Å; L14-F198 PolarHBondContact N-O 2.8Å
15T95.8Very high86.2Confident36 Ų3680.5 Ų80.522%0.22140%0.404CS..Hα-helixtrans-57.8-46.3177.8-53.80000111.2T13 I18 I19 Q40T13-T15 VanDerWaalsContact C-N 3.28Å; T13-T15 PolarHBondContact O-N 3.16Å; T15-I18 PolarHBondContact O-N 3.06Å; T15-I19 HydrophobicContact CG2-CD1 4.12Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.38Å; T15-I19 PolarHBondContact O-N 3.09Å; T15-I19 VanDerWaalsContact O-N 3.09Å; T15-Q40 PolarHBondContact OG1-NE2 3Å
16R95.4Very high87.6Confident90 Ų9081.5 Ų81.534%0.3441%0.408SS..Hα-helixtrans-66.4-39.5177.7-176.3178.1163.6-162.35.6111.7D10 Y11 L12 T13 L14 I19 Q20D10-R16 IonicContact OD1-CZ 3.05Å; D10-R16 VanDerWaalsContact OD1-CZ 3.3Å; D10-R16 IonicContact OD1-NH1 3.76Å; D10-R16 PolarHBondContact OD1-NH1 3.41Å; D10-R16 IonicContact OD1-NH2 3.98Å; D10-R16 PolarHBondContact OD1-NH2 3.33Å; D10-R16 IonicContact OD2-CZ 3.41Å; D10-R16 IonicContact OD2-NH1 3.36Å; D10-R16 IonicContact OD2-NH2 3.91Å; D10-R16 PolarHBondContact OD2-NH2 3.12Å; D10-R16 VanDerWaalsContact OD2-NH2 3.12Å; Y11-R16 PolarHBondContact O-NH1 2.9Å; L12-R16 HydrophobicContact CD1-CB 3.81Å; L12-R16 HydrophobicContact CD1-CG 3.46Å; L12-R16 VanDerWaalsContact CD1-CG 3.46Å; T13-R16 PolarHBondContact O-N 2.85Å; T13-R16 VanDerWaalsContact O-N 3.15Å; T13-R16 WeakPolarHBondContact OG1-CB 3.35Å; T13-R16 PolarHBondContact OG1-N 3.46Å; L14-R16 VanDerWaalsContact C-N 3.32Å; L14-R16 PolarHBondContact O-N 3.36Å; R16-I19 PolarHBondContact O-N 3.44Å; R16-Q20 WeakPolarHBondContact O-CG 3.28Å; R16-Q20 PolarHBondContact O-N 2.7Å
17F96Very high89.2Confident9 Ų984.4 Ų84.44%0.03942%0.42CS..Hα-helixtrans-59.8-49.7175174.4-91.6000111.8L12 T13 L14 I19 Q20 E21 L180 H187 F189L12-F17 HydrophobicContact CD2-CB 4.18Å; L12-F17 HydrophobicContact CD2-CD2 3.99Å; L12-F17 HydrophobicContact CG-CB 4.15Å; T13-F17 WeakPolarHBondContact O-CB 3.26Å; T13-F17 PolarHBondContact O-N 3.37Å; L14-F17 WeakPolarHBondContact O-CB 3.37Å; L14-F17 PolarHBondContact O-N 3.47Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.39Å; F17-Q20 WeakPolarHBondContact O-CA 3.4Å; F17-Q20 WeakPolarHBondContact O-CB 3.49Å; F17-Q20 PolarHBondContact O-N 3.4Å; F17-E21 HydrophobicContact CD1-CG 4.2Å; F17-E21 HydrophobicContact CE1-CG 3.64Å; F17-E21 HydrophobicContact CE2-CG 4.26Å; F17-E21 HydrophobicContact CZ-CG 3.67Å; F17-E21 PolarHBondContact O-N 3.15Å; F17-L180 HydrophobicContact CE1-CD1 4.4Å; F17-H187 AromaticContact CE2-CE1 4Å; F17-H187 AromaticContact CE2-CG 3.97Å; F17-H187 AromaticContact CE2-ND1 3.97Å; F17-H187 HydrophobicContact CZ-CB 4.32Å; F17-H187 AromaticContact CZ-CD2 3.39Å; F17-H187 WeakPolarHBondContact CZ-CD2 3.31Å; F17-H187 AromaticContact CZ-CG 3.68Å; F17-H187 AromaticContact CZ-NE2 3.64Å; F17-F189 HydrophobicContact CB-CE1 3.87Å; F17-F189 HydrophobicContact CB-CZ 3.86Å; F17-F189 HydrophobicContact CD1-CE1 4.45Å; F17-F189 HydrophobicContact CD1-CE2 4.37Å; F17-F189 AromaticContact CD1-CZ 3.6Å; F17-F189 HydrophobicContact CD1-CZ 3.6Å; F17-F189 HydrophobicContact CD2-CZ 4.05Å; F17-F189 HydrophobicContact CE1-CZ 4.15Å; F17-F189 HydrophobicContact CG-CE1 4.07Å; F17-F189 AromaticContact CG-CZ 3.55Å; F17-F189 HydrophobicContact CG-CZ 3.55Å
18I95.1Very high90.4Very high6 Ų678.6 Ų78.63%0.03140%0.395CS..Hα-helixtrans-64.4-37.9-179.5-62.5-65000111.3L14 T15 Q20 E21 Q22 T33 M36 V182L14-I18 HydrophobicContact CD1-CD1 4.15Å; L14-I18 HydrophobicContact CD1-CG1 3.78Å; L14-I18 HydrophobicContact CG-CG1 4.36Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 2.98Å; T15-I18 PolarHBondContact O-N 3.06Å; I18-Q20 VanDerWaalsContact C-N 3.32Å; I18-Q20 PolarHBondContact O-N 3.21Å; I18-E21 PolarHBondContact O-N 3.25Å; I18-Q22 WeakPolarHBondContact O-CB 3.46Å; I18-Q22 PolarHBondContact O-N 3.22Å; I18-T33 HydrophobicContact CG2-CG2 3.96Å; I18-M36 HydrophobicContact CD1-CG 4.21Å; I18-M36 HydrophobicContact CG1-CB 4.33Å; I18-M36 HydrophobicContact CG1-CG 4.36Å; I18-M36 HydrophobicContact CG2-CB 4.5Å; I18-M36 HydrophobicContact CG2-CG 4.43Å; I18-V182 HydrophobicContact CD1-CG1 4.09Å
19I94.4Very high91.3Very high79 Ų7974.9 Ų74.941%0.40539%0.385SS..Hα-helixtrans-62.2-40.6172.8-68.8166.9000111T15 R16 F17 Q22 R23 T33T15-I19 HydrophobicContact CG2-CD1 4.12Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.38Å; T15-I19 PolarHBondContact O-N 3.09Å; T15-I19 VanDerWaalsContact O-N 3.09Å; R16-I19 PolarHBondContact O-N 3.44Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.39Å; I19-Q22 PolarHBondContact O-N 3.38Å; I19-R23 WeakPolarHBondContact O-CG 3.32Å; I19-R23 PolarHBondContact O-N 3.04Å; I19-R23 VanDerWaalsContact O-N 3.16Å; I19-T33 HydrophobicContact CG1-CG2 3.95Å
20Q93.8Very high91.9Very high80 Ų8070.6 Ų70.637%0.37436%0.362SS..Hα-helixtrans-64.7-43.1175.6-75.1178.7-8.700112.2R16 F17 I18 R23R16-Q20 WeakPolarHBondContact O-CG 3.28Å; R16-Q20 PolarHBondContact O-N 2.7Å; F17-Q20 WeakPolarHBondContact O-CA 3.4Å; F17-Q20 WeakPolarHBondContact O-CB 3.49Å; F17-Q20 PolarHBondContact O-N 3.4Å; I18-Q20 VanDerWaalsContact C-N 3.32Å; I18-Q20 PolarHBondContact O-N 3.21Å; Q20-R23 PolarHBondContact O-N 3.01Å
21E93.4Very high92.2Very high15 Ų1568.2 Ų68.27%0.0735%0.348CS..Hα-helixtrans-63.8-43.4174.9-67.9-53.5122.500111.6F17 I18 R23 K24 F25 V182 T184F17-E21 HydrophobicContact CD1-CG 4.2Å; F17-E21 HydrophobicContact CE1-CG 3.64Å; F17-E21 HydrophobicContact CE2-CG 4.26Å; F17-E21 HydrophobicContact CZ-CG 3.67Å; F17-E21 PolarHBondContact O-N 3.15Å; I18-E21 PolarHBondContact O-N 3.25Å; E21-R23 VanDerWaalsContact C-N 3.25Å; E21-R23 PolarHBondContact O-N 2.95Å; E21-K24 VanDerWaalsContact O-CB 3.31Å; E21-K24 WeakPolarHBondContact O-CB 3.37Å; E21-K24 PolarHBondContact O-N 3.32Å; E21-K24 WeakPolarHBondContact OE1-CE 3.42Å; E21-K24 IonicContact OE1-NZ 3.05Å; E21-K24 PolarHBondContact OE1-NZ 3.4Å; E21-K24 IonicContact OE2-NZ 3.3Å; E21-K24 PolarHBondContact OE2-NZ 3.48Å; E21-F25 VanDerWaalsContact O-CD2 3.32Å; E21-F25 WeakPolarHBondContact O-CD2 3.23Å; E21-V182 HydrophobicContact CB-CG2 4.27Å; E21-V182 HydrophobicContact CG-CG2 4Å; E21-T184 PolarHBondContact OE2-OG1 3.13Å
22Q91.8Very high92.4Very high56 Ų5664 Ų6426%0.26233%0.333SS..Hα-helixtrans-54.6-42.7176.5-178.6-170.5-27.200111.5I18 I19 K24 F25 A28 T33I18-Q22 WeakPolarHBondContact O-CB 3.46Å; I18-Q22 PolarHBondContact O-N 3.22Å; I19-Q22 PolarHBondContact O-N 3.38Å; Q22-K24 PolarHBondContact O-N 3.06Å; Q22-K24 VanDerWaalsContact O-N 3.12Å; Q22-F25 PolarHBondContact O-N 2.74Å; Q22-A28 HydrophobicContact CG-CB 3.74Å; Q22-T33 PolarHBondContact OE1-OG1 3.47Å
23R91.9Very high92.4Very high210 Ų21063 Ų6379%0.79233%0.329SS*.THydrogen-bonded Turntrans-63-17.8-179.4-73.3178.471.5179.32.8113.7I19 Q20 E21 F25I19-R23 WeakPolarHBondContact O-CG 3.32Å; I19-R23 PolarHBondContact O-N 3.04Å; I19-R23 VanDerWaalsContact O-N 3.16Å; Q20-R23 PolarHBondContact O-N 3.01Å; E21-R23 VanDerWaalsContact C-N 3.25Å; E21-R23 PolarHBondContact O-N 2.95Å; R23-F25 VanDerWaalsContact C-N 3.28Å
24K90.8Very high92.3Very high120 Ų12066.5 Ų66.552%0.52234%0.343SS..THydrogen-bonded Turntrans-76-15.4175-57.7178.4-173.5169.90112.9E21 Q22E21-K24 VanDerWaalsContact O-CB 3.31Å; E21-K24 WeakPolarHBondContact O-CB 3.37Å; E21-K24 PolarHBondContact O-N 3.32Å; E21-K24 WeakPolarHBondContact OE1-CE 3.42Å; E21-K24 IonicContact OE1-NZ 3.05Å; E21-K24 PolarHBondContact OE1-NZ 3.4Å; E21-K24 IonicContact OE2-NZ 3.3Å; E21-K24 PolarHBondContact OE2-NZ 3.48Å; Q22-K24 PolarHBondContact O-N 3.06Å; Q22-K24 VanDerWaalsContact O-N 3.12Å
25F87.8Confident92.4Very high102 Ų10266.5 Ų66.545%0.44734%0.343SS..  trans-119.599.8-176.1-60.4-82.6000110.8E21 Q22 R23 S27 A28 T184E21-F25 VanDerWaalsContact O-CD2 3.32Å; E21-F25 WeakPolarHBondContact O-CD2 3.23Å; Q22-F25 PolarHBondContact O-N 2.74Å; R23-F25 VanDerWaalsContact C-N 3.28Å; F25-S27 PolarHBondContact O-N 2.71Å; F25-A28 HydrophobicContact CB-CB 4.03Å; F25-A28 VanDerWaalsContact O-CB 3.26Å; F25-A28 WeakPolarHBondContact O-CB 3.27Å; F25-A28 PolarHBondContact O-N 2.77Å; F25-T184 HydrophobicContact CZ-CG2 4.35Å
26P85Confident92.4Very high141 Ų14164.9 Ų64.992%0.91633%0.333SS*.THydrogen-bonded Turntrans-56.6-26.3-176.4-28.335.6000115.1A28P26-A28 VanDerWaalsContact C-N 3.34Å
27S85.8Confident92.4Very high109 Ų10962.6 Ų62.676%0.76233%0.328SS*.THydrogen-bonded Turntrans-84.3-0.7178.259.70000114.4F25 T29F25-S27 PolarHBondContact O-N 2.71Å; S27-T29 PolarHBondContact O-N 2.58Å
28A86.8Confident92.4Very high41 Ų4162.7 Ų62.734%0.33933%0.331SS..  trans-79.9115.2-176.300000111.7Q22 F25 P26 G30Q22-A28 HydrophobicContact CG-CB 3.74Å; F25-A28 HydrophobicContact CB-CB 4.03Å; F25-A28 VanDerWaalsContact O-CB 3.26Å; F25-A28 WeakPolarHBondContact O-CB 3.27Å; F25-A28 PolarHBondContact O-N 2.77Å; P26-A28 VanDerWaalsContact C-N 3.34Å; A28-G30 VanDerWaalsContact C-N 3.28Å; A28-G30 PolarHBondContact O-N 2.92Å
29T89.2Confident92.6Very high92 Ų9262.4 Ų62.456%0.56433%0.33SS*.  trans-74.9-11.1-178.562.70000114.7S27 E31 K114S27-T29 PolarHBondContact O-N 2.58Å; T29-E31 WeakPolarHBondContact OG1-CG 3.47Å; T29-E31 PolarHBondContact OG1-N 2.75Å; T29-E31 PolarHBondContact OG1-OE1 3.08Å; T29-K114 PolarHBondContact OG1-NZ 2.92Å
30G92.7Very high92.7Very high18 Ų1859 Ų5919%0.18631%0.312CS..SBendtrans90.3-4.9-172.600000115.2A28 L32 T33 Q34A28-G30 VanDerWaalsContact C-N 3.28Å; A28-G30 PolarHBondContact O-N 2.92Å; G30-L32 VanDerWaalsContact C-N 3.27Å; G30-L32 PolarHBondContact O-N 3.3Å; G30-T33 WeakPolarHBondContact O-CA 3.37Å; G30-T33 VanDerWaalsContact O-CB 3.25Å; G30-T33 WeakPolarHBondContact O-CB 3.25Å; G30-T33 PolarHBondContact O-N 2.89Å; G30-Q34 PolarHBondContact O-N 3.01Å
31E92.9Very high92.9Very high48 Ų4858.1 Ų58.122%0.22431%0.312CS..Hα-helixtrans-58.7-35.3175.6-76.1168.3-103.400113T29 T33 Q34 L35 S92 K114 Y115T29-E31 WeakPolarHBondContact OG1-CG 3.47Å; T29-E31 PolarHBondContact OG1-N 2.75Å; T29-E31 PolarHBondContact OG1-OE1 3.08Å; E31-T33 VanDerWaalsContact C-N 3.32Å; E31-T33 PolarHBondContact O-N 3.37Å; E31-Q34 PolarHBondContact O-N 3.37Å; E31-L35 WeakPolarHBondContact O-CB 3.15Å; E31-L35 PolarHBondContact O-N 3.28Å; E31-S92 WeakPolarHBondContact O-CB 3.28Å; E31-S92 PolarHBondContact O-OG 3.47Å; E31-S92 VanDerWaalsContact O-OG 3.08Å; E31-K114 WeakPolarHBondContact OE1-CE 3.48Å; E31-K114 IonicContact OE1-NZ 3.86Å; E31-K114 PolarHBondContact OE1-NZ 3.17Å; E31-K114 VanDerWaalsContact OE2-CD 3.27Å; E31-K114 WeakPolarHBondContact OE2-CD 3.36Å; E31-K114 WeakPolarHBondContact OE2-CE 3.39Å; E31-K114 VanDerWaalsContact OE2-CG 3.24Å; E31-K114 WeakPolarHBondContact OE2-CG 3.37Å; E31-K114 PolarHBondContact OE2-N 3.31Å; E31-K114 IonicContact OE2-NZ 3.12Å; E31-Y115 HydrophobicContact CB-CE2 3.9Å
32L93.5Very high93.1Very high35 Ų3557.4 Ų57.418%0.18331%0.309CS..Hα-helixtrans-66.2-39.2175.1-17559.6000110.8G30 Q34 L35 M36 Y115 I140G30-L32 VanDerWaalsContact C-N 3.27Å; G30-L32 PolarHBondContact O-N 3.3Å; L32-Q34 VanDerWaalsContact C-N 3.33Å; L32-Q34 PolarHBondContact O-N 3Å; L32-L35 HydrophobicContact CD1-CD2 4.31Å; L32-L35 WeakPolarHBondContact O-CB 3.39Å; L32-L35 PolarHBondContact O-N 3.46Å; L32-M36 HydrophobicContact CD1-CG 4.38Å; L32-M36 HydrophobicContact CG-CG 4.37Å; L32-M36 WeakPolarHBondContact O-CB 3.4Å; L32-M36 VanDerWaalsContact O-CG 3.25Å; L32-M36 WeakPolarHBondContact O-CG 3.35Å; L32-M36 PolarHBondContact O-N 2.85Å; L32-Y115 HydrophobicContact CB-CE2 4.05Å; L32-Y115 HydrophobicContact CD1-CE2 4.42Å; L32-I140 HydrophobicContact CD1-CD1 4.01Å; L32-I140 HydrophobicContact CD1-CG2 4.35Å
33T94.7Very high93.4Very high14 Ų1454.8 Ų54.89%0.08630%0.297CS..Hα-helixtrans-60.5-44.2175.8-51.30000111I18 I19 Q22 G30 E31 M36 N37I18-T33 HydrophobicContact CG2-CG2 3.96Å; I19-T33 HydrophobicContact CG1-CG2 3.95Å; Q22-T33 PolarHBondContact OE1-OG1 3.47Å; G30-T33 WeakPolarHBondContact O-CA 3.37Å; G30-T33 VanDerWaalsContact O-CB 3.25Å; G30-T33 WeakPolarHBondContact O-CB 3.25Å; G30-T33 PolarHBondContact O-N 2.89Å; E31-T33 VanDerWaalsContact C-N 3.32Å; E31-T33 PolarHBondContact O-N 3.37Å; T33-M36 PolarHBondContact O-N 3.01Å; T33-N37 VanDerWaalsContact O-CG 3.31Å; T33-N37 PolarHBondContact O-N 3.43Å; T33-N37 PolarHBondContact O-ND2 3.5Å
34Q95.6Very high93.7Very high95 Ų9547.5 Ų47.544%0.44427%0.271SS..Hα-helixtrans-64.9-42.2176.4-172.763.22000112.1G30 E31 L32 N37 G38 S90G30-Q34 PolarHBondContact O-N 3.01Å; E31-Q34 PolarHBondContact O-N 3.37Å; L32-Q34 VanDerWaalsContact C-N 3.33Å; L32-Q34 PolarHBondContact O-N 3Å; Q34-N37 WeakPolarHBondContact O-CB 3.46Å; Q34-N37 PolarHBondContact O-N 3.47Å; Q34-G38 PolarHBondContact O-N 3.08Å; Q34-G38 VanDerWaalsContact O-N 3.11Å; Q34-S90 WeakPolarHBondContact CG-O 3.12Å
35L97.2Very high94Very high0 Ų043.1 Ų43.10%026%0.257CS..Hα-helixtrans-59.4-47173.9178.554.2000112E31 L32 N37 G38 L39 L87 T93 Y115 V117 I140E31-L35 WeakPolarHBondContact O-CB 3.15Å; E31-L35 PolarHBondContact O-N 3.28Å; L32-L35 HydrophobicContact CD1-CD2 4.31Å; L32-L35 WeakPolarHBondContact O-CB 3.39Å; L32-L35 PolarHBondContact O-N 3.46Å; L35-N37 VanDerWaalsContact C-N 3.26Å; L35-N37 PolarHBondContact O-N 2.93Å; L35-G38 PolarHBondContact O-N 3.03Å; L35-G38 VanDerWaalsContact O-N 3.13Å; L35-L39 HydrophobicContact CD1-CD1 4.45Å; L35-L39 HydrophobicContact CG-CD1 4.22Å; L35-L39 PolarHBondContact O-N 2.81Å; L35-L87 HydrophobicContact CD1-CD2 3.5Å; L35-L87 VanDerWaalsContact CD1-CD2 3.5Å; L35-T93 HydrophobicContact CD1-CG2 3.59Å; L35-T93 HydrophobicContact CD2-CG2 4.37Å; L35-Y115 HydrophobicContact CD2-CD2 3.8Å; L35-Y115 HydrophobicContact CD2-CG 3.91Å; L35-V117 HydrophobicContact CD1-CG2 4.09Å; L35-V117 HydrophobicContact CD2-CG2 4.05Å; L35-I140 HydrophobicContact CD2-CD1 3.82Å; L35-I140 HydrophobicContact CD2-CG1 4.28Å; L35-I140 HydrophobicContact CD2-CG2 3.76Å; L35-I140 HydrophobicContact CG-CD1 4.25Å
36M96.5Very high94.5Very high2 Ų238.3 Ų38.31%0.0124%0.236CC..Hα-helixtrans-62.6-33.6177.9-69.8-53.5-57.400112.1I18 L32 T33 L39 Q40 F138 I140 L180I18-M36 HydrophobicContact CD1-CG 4.21Å; I18-M36 HydrophobicContact CG1-CB 4.33Å; I18-M36 HydrophobicContact CG1-CG 4.36Å; I18-M36 HydrophobicContact CG2-CB 4.5Å; I18-M36 HydrophobicContact CG2-CG 4.43Å; L32-M36 HydrophobicContact CD1-CG 4.38Å; L32-M36 HydrophobicContact CG-CG 4.37Å; L32-M36 WeakPolarHBondContact O-CB 3.4Å; L32-M36 VanDerWaalsContact O-CG 3.25Å; L32-M36 WeakPolarHBondContact O-CG 3.35Å; L32-M36 PolarHBondContact O-N 2.85Å; T33-M36 PolarHBondContact O-N 3.01Å; M36-L39 PolarHBondContact O-N 3.35Å; M36-L39 HydrophobicContact SD-CD1 3.84Å; M36-Q40 WeakPolarHBondContact O-CG 3.14Å; M36-Q40 PolarHBondContact O-N 3.05Å; M36-F138 HydrophobicContact CE-CE2 4.44Å; M36-F138 HydrophobicContact CE-CZ 4.35Å; M36-I140 HydrophobicContact SD-CD1 3.87Å; M36-L180 HydrophobicContact CE-CD2 3.81Å
37N95.3Very high95Very high43 Ų4331.7 Ų31.723%0.2319%0.193CC..Hα-helixtrans-64.1-43.1172.5-72.5-21.5000112.6T33 Q34 L35 Q40 T41T33-N37 VanDerWaalsContact O-CG 3.31Å; T33-N37 PolarHBondContact O-N 3.43Å; T33-N37 PolarHBondContact O-ND2 3.5Å; Q34-N37 WeakPolarHBondContact O-CB 3.46Å; Q34-N37 PolarHBondContact O-N 3.47Å; L35-N37 VanDerWaalsContact C-N 3.26Å; L35-N37 PolarHBondContact O-N 2.93Å; N37-Q40 VanDerWaalsContact O-CG 3.29Å; N37-Q40 WeakPolarHBondContact O-CG 3.48Å; N37-Q40 PolarHBondContact OD1-NE2 3.47Å; N37-T41 WeakPolarHBondContact O-CB 3.46Å; N37-T41 PolarHBondContact O-N 3.2Å; N37-T41 PolarHBondContact O-OG1 2.93Å
38G97Very high95.4Very high10 Ų1031.7 Ų31.710%0.10318%0.182CC..Hα-helixtrans-61-48.3172.700000111.9Q34 L35 T41 A42 M86Q34-G38 PolarHBondContact O-N 3.08Å; Q34-G38 VanDerWaalsContact O-N 3.11Å; L35-G38 PolarHBondContact O-N 3.03Å; L35-G38 VanDerWaalsContact O-N 3.13Å; G38-T41 WeakPolarHBondContact O-CB 3.42Å; G38-T41 PolarHBondContact O-N 2.96Å; G38-A42 PolarHBondContact O-N 2.88Å; G38-M86 WeakPolarHBondContact O-CB 3.33Å
39L97.6Very high95.8Very high1 Ų130.1 Ų30.11%0.00517%0.169CC..Hα-helixtrans-58-51.7178.2-82.4165.6000112.8L35 M36 T41 A42 I43 F83 L87 F138 I140L35-L39 HydrophobicContact CD1-CD1 4.45Å; L35-L39 HydrophobicContact CG-CD1 4.22Å; L35-L39 PolarHBondContact O-N 2.81Å; M36-L39 PolarHBondContact O-N 3.35Å; M36-L39 HydrophobicContact SD-CD1 3.84Å; L39-T41 PolarHBondContact O-N 2.81Å; L39-A42 PolarHBondContact O-N 3.26Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3.27Å; L39-I43 PolarHBondContact O-N 2.84Å; L39-F83 HydrophobicContact CD2-CD1 4.15Å; L39-F83 HydrophobicContact CD2-CE1 3.82Å; L39-L87 HydrophobicContact CD2-CD2 3.75Å; L39-L87 HydrophobicContact CG-CD2 3.75Å; L39-F138 HydrophobicContact CD1-CD2 4.06Å; L39-F138 HydrophobicContact CD1-CE2 4.19Å; L39-F138 HydrophobicContact CD2-CB 4.42Å; L39-F138 HydrophobicContact CD2-CG 4.29Å; L39-I140 HydrophobicContact CD1-CD1 3.75Å
40Q97.4Very high96Very high7 Ų727 Ų273%0.03315%0.15CC..Hα-helixtrans-63.5-30179.869.2173-47.900112.1L14 T15 M36 N37 K44 F198L14-Q40 HydrophobicContact CD2-CB 3.91Å; T15-Q40 PolarHBondContact OG1-NE2 3Å; M36-Q40 WeakPolarHBondContact O-CG 3.14Å; M36-Q40 PolarHBondContact O-N 3.05Å; N37-Q40 VanDerWaalsContact O-CG 3.29Å; N37-Q40 WeakPolarHBondContact O-CG 3.48Å; N37-Q40 PolarHBondContact OD1-NE2 3.47Å; Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 VanDerWaalsContact O-CG 3.27Å; Q40-K44 WeakPolarHBondContact O-CG 3.27Å; Q40-K44 PolarHBondContact O-N 3.04Å; Q40-F198 HydrophobicContact CB-CD2 4.11Å; Q40-F198 HydrophobicContact CB-CE2 4.22Å
41T97.8Very high96Very high62 Ų6231.4 Ų31.438%0.3816%0.161SC..Hα-helixtrans-68.9-45.3176-57.80000111.2N37 G38 L39 I43 K44 A45 M86N37-T41 WeakPolarHBondContact O-CB 3.46Å; N37-T41 PolarHBondContact O-N 3.2Å; N37-T41 PolarHBondContact O-OG1 2.93Å; G38-T41 WeakPolarHBondContact O-CB 3.42Å; G38-T41 PolarHBondContact O-N 2.96Å; L39-T41 PolarHBondContact O-N 2.81Å; T41-I43 PolarHBondContact O-N 3.4Å; T41-K44 PolarHBondContact O-N 2.7Å; T41-A45 PolarHBondContact O-N 2.87Å; T41-M86 HydrophobicContact CG2-SD 3.77Å
42A98.2Very high95.8Very high0 Ų033.9 Ų33.90%017%0.171CC..Hα-helixtrans-58.3-48.2173.300000111.2G38 L39 K44 A45 V46 F83 M86G38-A42 PolarHBondContact O-N 2.88Å; L39-A42 PolarHBondContact O-N 3.26Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 3.2Å; A42-A45 WeakPolarHBondContact O-CB 3.34Å; A42-A45 PolarHBondContact O-N 3.2Å; A42-A45 VanDerWaalsContact O-N 3.1Å; A42-V46 WeakPolarHBondContact O-CG2 3.24Å; A42-V46 PolarHBondContact O-N 3.42Å; A42-F83 HydrophobicContact CB-CD1 4.36Å; A42-F83 HydrophobicContact CB-CD2 4.01Å; A42-F83 HydrophobicContact CB-CE2 4.2Å; A42-F83 HydrophobicContact CB-CG 4.11Å; A42-F83 HydrophobicContact CB-CZ 4.45Å; A42-M86 HydrophobicContact CB-CB 4Å; A42-M86 HydrophobicContact CB-CG 3.95Å
43I98.5Very high95.4Very high0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-59.3-42.2178.9-68163.7000111.3L39 T41 S47 F83 F138 A170 Y172 L178 F198L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3.27Å; L39-I43 PolarHBondContact O-N 2.84Å; T41-I43 PolarHBondContact O-N 3.4Å; I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 3.37Å; I43-F83 HydrophobicContact CG1-CZ 3.82Å; I43-F138 HydrophobicContact CD1-CE1 4.37Å; I43-A170 HydrophobicContact CB-CB 4.4Å; I43-A170 HydrophobicContact CD1-CB 4.12Å; I43-A170 HydrophobicContact CG1-CB 4.04Å; I43-A170 HydrophobicContact CG2-CB 3.45Å; I43-A170 VanDerWaalsContact CG2-CB 3.45Å; I43-Y172 HydrophobicContact CG2-CE1 4.04Å; I43-L178 HydrophobicContact CD1-CD1 3.91Å; I43-L178 HydrophobicContact CD1-CD2 3.99Å; I43-F198 HydrophobicContact CG2-CE2 4.13Å; I43-F198 HydrophobicContact CG2-CZ 3.66Å
44K98.2Very high94.9Very high57 Ų5733.3 Ų33.325%0.24818%0.176CC..Hα-helixtrans-62.9-41.5175.7-75.9-175.2-62-172.30112Q40 T41 A42 S47 M48 L191 G196 F198Q40-K44 WeakPolarHBondContact O-CB 3.43Å; Q40-K44 VanDerWaalsContact O-CG 3.27Å; Q40-K44 WeakPolarHBondContact O-CG 3.27Å; Q40-K44 PolarHBondContact O-N 3.04Å; T41-K44 PolarHBondContact O-N 2.7Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 3.2Å; K44-S47 WeakPolarHBondContact O-CB 3.28Å; K44-M48 PolarHBondContact O-N 3.06Å; K44-L191 HydrophobicContact CD-CD1 3.91Å; K44-L191 HydrophobicContact CG-CD1 3.86Å; K44-L191 HydrophobicContact CG-CD2 4.36Å; K44-G196 WeakPolarHBondContact CD-O 3.49Å; K44-G196 PolarHBondContact NZ-O 3.47Å; K44-F198 HydrophobicContact CD-CE2 4.45Å; K44-F198 HydrophobicContact CG-CD2 4.48Å; K44-F198 HydrophobicContact CG-CE2 3.83Å
45A97.2Very high94.2Very high29 Ų2935.8 Ų35.824%0.2419%0.19CC..Hα-helixtrans-66.1-45.6178.300000111.9T41 A42 M48 A49 L82T41-A45 PolarHBondContact O-N 2.87Å; A42-A45 WeakPolarHBondContact O-CB 3.34Å; A42-A45 PolarHBondContact O-N 3.2Å; A42-A45 VanDerWaalsContact O-N 3.1Å; A45-M48 PolarHBondContact O-N 3.44Å; A45-A49 PolarHBondContact O-N 3.44Å; A45-L82 HydrophobicContact CB-CD1 3.78Å; A45-L82 HydrophobicContact CB-CD2 3.98Å; A45-L82 HydrophobicContact CB-CG 4.44Å
46V96.9Very high93.5Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-61.3-48.8174.5174.40000110.5A42 M48 A49 V50 L82 F83 L122 Y172A42-V46 WeakPolarHBondContact O-CG2 3.24Å; A42-V46 PolarHBondContact O-N 3.42Å; V46-M48 PolarHBondContact O-N 3.26Å; V46-A49 WeakPolarHBondContact O-CA 3.21Å; V46-A49 WeakPolarHBondContact O-CB 3.45Å; V46-A49 PolarHBondContact O-N 3.44Å; V46-V50 HydrophobicContact CG1-CG2 3.95Å; V46-V50 VanDerWaalsContact O-CG2 3.27Å; V46-V50 WeakPolarHBondContact O-CG2 3.35Å; V46-V50 PolarHBondContact O-N 3.04Å; V46-L82 HydrophobicContact CG2-CB 4.46Å; V46-L82 HydrophobicContact CG2-CD1 3.89Å; V46-F83 HydrophobicContact CG2-CD2 4.3Å; V46-F83 HydrophobicContact CG2-CE2 4.05Å; V46-L122 HydrophobicContact CG1-CD1 4.07Å; V46-Y172 HydrophobicContact CG1-CD2 4.42Å; V46-Y172 HydrophobicContact CG1-CE1 4.31Å; V46-Y172 HydrophobicContact CG1-CE2 3.6Å
47S96.9Very high92.7Very high3 Ų345.9 Ų45.92%0.02124%0.243CC..Hα-helixtrans-51-41.3175.2168.40000113I43 K44 R51 T176 L191I43-S47 WeakPolarHBondContact O-CB 3.31Å; I43-S47 PolarHBondContact O-N 3.37Å; K44-S47 WeakPolarHBondContact O-CB 3.28Å; S47-R51 WeakPolarHBondContact O-CD 3.47Å; S47-R51 VanDerWaalsContact O-CG 3.29Å; S47-R51 WeakPolarHBondContact O-CG 3.4Å; S47-R51 PolarHBondContact O-N 3.37Å; S47-R51 PolarHBondContact O-NH1 3.22Å; S47-R51 PolarHBondContact OG-NH1 2.82Å; S47-T176 PolarHBondContact OG-OG1 3.11Å; S47-L191 WeakPolarHBondContact OG-CD2 3.17Å
48M94.6Very high91.7Very high108 Ų10845.2 Ų45.253%0.53224%0.239SC..Hα-helixtrans-70-42.1175.2-177.6-177.563.300112.3K44 A45 V46 K52K44-M48 PolarHBondContact O-N 3.06Å; A45-M48 PolarHBondContact O-N 3.44Å; V46-M48 PolarHBondContact O-N 3.26Å; M48-K52 HydrophobicContact CG-CD 4.46Å; M48-K52 PolarHBondContact O-N 3.03Å
49A93.2Very high90.6Very high8 Ų848.4 Ų48.47%0.06625%0.249CC..Hα-helixtrans-64.3-47178.600000111.6A45 V46 R51 K52 A53 L58 L75 L78A45-A49 PolarHBondContact O-N 3.44Å; V46-A49 WeakPolarHBondContact O-CA 3.21Å; V46-A49 WeakPolarHBondContact O-CB 3.45Å; V46-A49 PolarHBondContact O-N 3.44Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.2Å; A49-K52 CarbonylContact O-C 3.55Å; A49-K52 PolarHBondContact O-N 2.92Å; A49-A53 WeakPolarHBondContact O-CA 3.3Å; A49-A53 PolarHBondContact O-N 3.29Å; A49-L58 HydrophobicContact CB-CD1 4.15Å; A49-L75 HydrophobicContact CB-CD1 4.01Å; A49-L78 HydrophobicContact CB-CD2 3.59Å
50V93.5Very high89.2Confident26 Ų2649.6 Ų49.616%0.15826%0.262CS..Hα-helixtrans-55.1-48.4176.7172.40000110.9V46 K52 A53 L75 L122 I134 Y172V46-V50 HydrophobicContact CG1-CG2 3.95Å; V46-V50 VanDerWaalsContact O-CG2 3.27Å; V46-V50 WeakPolarHBondContact O-CG2 3.35Å; V46-V50 PolarHBondContact O-N 3.04Å; V50-K52 PolarHBondContact O-N 2.77Å; V50-K52 VanDerWaalsContact O-N 3.1Å; V50-A53 WeakPolarHBondContact O-CB 3.49Å; V50-A53 PolarHBondContact O-N 2.93Å; V50-L75 HydrophobicContact CG2-CD2 3.9Å; V50-L122 HydrophobicContact CG2-CD1 4.35Å; V50-I134 HydrophobicContact CG1-CD1 3.8Å; V50-I134 HydrophobicContact CG1-CG1 4.25Å; V50-I134 HydrophobicContact CG2-CD1 3.95Å; V50-Y172 HydrophobicContact CG2-CD2 4.25Å; V50-Y172 HydrophobicContact CG2-CG 4.42Å
51R93Very high87.8Confident112 Ų11253.2 Ų53.242%0.42328%0.28SS..Hα-helixtrans-62.5-19.7179.7-77.6167.317270.8-1.2114.5S47 A49 T176S47-R51 WeakPolarHBondContact O-CD 3.47Å; S47-R51 VanDerWaalsContact O-CG 3.29Å; S47-R51 WeakPolarHBondContact O-CG 3.4Å; S47-R51 PolarHBondContact O-N 3.37Å; S47-R51 PolarHBondContact O-NH1 3.22Å; S47-R51 PolarHBondContact OG-NH1 2.82Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 3.2Å; R51-T176 PolarHBondContact NH1-OG1 2.8Å; R51-T176 VanDerWaalsContact NH2-CB 3.34Å; R51-T176 VanDerWaalsContact NH2-N 3.17Å; R51-T176 PolarHBondContact NH2-OG1 2.85Å
52K89.4Confident86.4Confident99 Ų9952.7 Ų52.743%0.4328%0.277SS..Hα-helixtrans-1141.4-177.8-62.3-179.1179.2174.90112.7M48 A49 V50 G54 M55 I56M48-K52 HydrophobicContact CG-CD 4.46Å; M48-K52 PolarHBondContact O-N 3.03Å; A49-K52 CarbonylContact O-C 3.55Å; A49-K52 PolarHBondContact O-N 2.92Å; V50-K52 PolarHBondContact O-N 2.77Å; V50-K52 VanDerWaalsContact O-N 3.1Å; K52-G54 VanDerWaalsContact C-N 3.27Å; K52-G54 PolarHBondContact O-N 3.35Å; K52-G54 VanDerWaalsContact O-N 3.09Å; K52-M55 HydrophobicContact CB-CE 4.03Å; K52-M55 HydrophobicContact CG-CE 3.87Å; K52-M55 WeakPolarHBondContact O-CA 3.46Å; K52-M55 WeakPolarHBondContact O-CB 3.36Å; K52-M55 PolarHBondContact O-N 3.11Å; K52-I56 HydrophobicContact CB-CD1 4.31Å; K52-I56 HydrophobicContact CB-CG1 4.2Å; K52-I56 VanDerWaalsContact O-CG1 3.28Å; K52-I56 WeakPolarHBondContact O-CG1 3.39Å; K52-I56 PolarHBondContact O-N 2.85Å; K52-I56 VanDerWaalsContact O-N 3.15Å
53A85.5Confident84.7Confident1 Ų156.3 Ų56.31%0.00832%0.315CS..THydrogen-bonded Turntrans-55.4-39.5-16400000113.7A49 V50 N57 L58 Y59 L75A49-A53 WeakPolarHBondContact O-CA 3.3Å; A49-A53 PolarHBondContact O-N 3.29Å; V50-A53 WeakPolarHBondContact O-CB 3.49Å; V50-A53 PolarHBondContact O-N 2.93Å; A53-N57 PolarHBondContact O-N 3.13Å; A53-L58 HydrophobicContact CB-CB 4.04Å; A53-L58 PolarHBondContact O-N 3.25Å; A53-Y59 HydrophobicContact CB-CD1 3.75Å; A53-Y59 HydrophobicContact CB-CE1 3.26Å; A53-L75 HydrophobicContact CB-CD2 4.27Å
54G82.8Confident83.1Confident36 Ų3659.4 Ų59.437%0.37134%0.336SS..THydrogen-bonded Turntrans-70.9-25.5175.100000115.6K52 Y59K52-G54 VanDerWaalsContact C-N 3.27Å; K52-G54 PolarHBondContact O-N 3.35Å; K52-G54 VanDerWaalsContact O-N 3.09Å; G54-Y59 VanDerWaalsContact CA-CD2 3.43Å; G54-Y59 PolarHBondContact N-OH 3.44Å
55M82.6Confident81.3Confident147 Ų14760.3 Ų60.372%0.72435%0.35SS*.THydrogen-bonded Turntrans-83.1-28178.7-67-177.4-78.700112.7K52K52-M55 HydrophobicContact CB-CE 4.03Å; K52-M55 HydrophobicContact CG-CE 3.87Å; K52-M55 WeakPolarHBondContact O-CA 3.46Å; K52-M55 WeakPolarHBondContact O-CB 3.36Å; K52-M55 PolarHBondContact O-N 3.11Å
56I81.9Confident79.8Confident92 Ų9260.2 Ų60.247%0.47235%0.346SS..THydrogen-bonded Turntrans-109.723-176.853.6163.5000113.3K52 L58K52-I56 HydrophobicContact CB-CD1 4.31Å; K52-I56 HydrophobicContact CB-CG1 4.2Å; K52-I56 VanDerWaalsContact O-CG1 3.28Å; K52-I56 WeakPolarHBondContact O-CG1 3.39Å; K52-I56 PolarHBondContact O-N 2.85Å; K52-I56 VanDerWaalsContact O-N 3.15Å; I56-L58 HydrophobicContact CD1-CD1 3.29Å; I56-L58 HydrophobicContact CD1-CG 3.76Å; I56-L58 HydrophobicContact CG1-CD1 3.8Å; I56-L58 HydrophobicContact CG1-CG 3.8Å; I56-L58 PolarHBondContact O-N 3.28Å; I56-L58 VanDerWaalsContact O-N 3.15Å
57N78.7Confident78.2Confident123 Ų12364.9 Ų64.966%0.65837%0.369SS*.THydrogen-bonded Turntrans52.634.1177.1-64.9-36.9000114.2A53 Y59 K74A53-N57 PolarHBondContact O-N 3.13Å; N57-Y59 VanDerWaalsContact C-N 3.3Å; N57-K74 PolarHBondContact O-NZ 3.15Å; N57-K74 VanDerWaalsContact O-NZ 3.14Å
58L75Confident76.3Confident29 Ų2966.9 Ų66.915%0.15238%0.378CS..  trans-84.3-6.7173.3-68.1-179.3000112.6A49 A53 I56 K74 L75 L78A49-L58 HydrophobicContact CB-CD1 4.15Å; A53-L58 HydrophobicContact CB-CB 4.04Å; A53-L58 PolarHBondContact O-N 3.25Å; I56-L58 HydrophobicContact CD1-CD1 3.29Å; I56-L58 HydrophobicContact CD1-CG 3.76Å; I56-L58 HydrophobicContact CG1-CD1 3.8Å; I56-L58 HydrophobicContact CG1-CG 3.8Å; I56-L58 PolarHBondContact O-N 3.28Å; I56-L58 VanDerWaalsContact O-N 3.15Å; L58-K74 HydrophobicContact CD2-CB 4.47Å; L58-L75 HydrophobicContact CB-CD1 4.28Å; L58-L75 HydrophobicContact CD1-CD1 3.72Å; L58-L78 HydrophobicContact CD1-CD2 3.82Å; L58-L78 HydrophobicContact CD2-CD2 4.48Å
59Y73.6Confident74.6Confident76 Ų7664.6 Ų64.630%0.29838%0.382SS..  trans-72.3148.8167.6-62.6-26.1000111.4A53 G54 N57 I128A53-Y59 HydrophobicContact CB-CD1 3.75Å; A53-Y59 HydrophobicContact CB-CE1 3.26Å; G54-Y59 VanDerWaalsContact CA-CD2 3.43Å; G54-Y59 PolarHBondContact N-OH 3.44Å; N57-Y59 VanDerWaalsContact C-N 3.3Å; Y59-I128 HydrophobicContact CD1-CG2 3.74Å; Y59-I128 HydrophobicContact CE1-CG2 3.82Å
60G68Low73.3Confident27 Ų2767.1 Ų67.128%0.27839%0.393SS..SBendtrans93.8176.4179.700000115.3K74G60-K74 PolarHBondContact O-N 2.78Å
61L69.2Low72.2Confident82 Ų8270.4 Ų70.443%0.42941%0.41SS..EExtended strand (participates in β ladder)trans-81153.4-172.1-51.6179.8000111.2D71 V72 K73L61-D71 HydrophobicContact CD1-CB 3.77Å; L61-D71 HydrophobicContact CD2-CB 3.47Å; L61-D71 VanDerWaalsContact CD2-CB 3.47Å; L61-D71 HydrophobicContact CG-CB 4.15Å; L61-V72 CarbonylContact C-O 3.43Å; L61-V72 WeakPolarHBondContact CA-O 3.43Å; L61-K73 HydrophobicContact CD2-CG 4.17Å
62T67.3Low71.2Confident51 Ų5165.8 Ų65.831%0.31339%0.394SS..EExtended strand (participates in β ladder)trans-77-15.9168.459.80000112.2S64 V72 K74 V77T62-S64 WeakPolarHBondContact OG1-CB 3.24Å; T62-S64 PolarHBondContact OG1-N 2.6Å; T62-S64 VanDerWaalsContact OG1-N 3.17Å; T62-S64 PolarHBondContact OG1-OG 3.48Å; T62-S64 VanDerWaalsContact OG1-OG 3.11Å; T62-V72 HydrophobicContact CG2-CG1 4.05Å; T62-V72 PolarHBondContact N-O 2.78Å; T62-V72 PolarHBondContact OG1-O 3.17Å; T62-K74 HydrophobicContact CG2-CB 4.45Å; T62-K74 HydrophobicContact CG2-CG 3.98Å; T62-V77 HydrophobicContact CG2-CG2 3.82Å
63G63.1Low70.7Confident77 Ų7762.1 Ų62.179%0.79438%0.378SS*.EExtended strand (participates in β ladder)trans86.27.5-168.200000113.4
64S65.1Low70.8Confident64 Ų6466.2 Ų66.245%0.44840%0.395SS..EExtended strand (participates in β ladder)trans-109.3155.7176.3-33.10000110.7T62 V72T62-S64 WeakPolarHBondContact OG1-CB 3.24Å; T62-S64 PolarHBondContact OG1-N 2.6Å; T62-S64 VanDerWaalsContact OG1-N 3.17Å; T62-S64 PolarHBondContact OG1-OG 3.48Å; T62-S64 VanDerWaalsContact OG1-OG 3.11Å; S64-V72 PolarHBondContact O-N 3.44Å
65S60.7Low71.2Confident77 Ų7764.5 Ų64.554%0.53838%0.378SS..EExtended strand (participates in β ladder)trans-117.9141.9168.2-49.10000109E70S65-E70 WeakPolarHBondContact CA-O 3.47Å
66N64.6Low71.6Confident27 Ų2757.7 Ų57.714%0.14435%0.345CS..  trans-77.5174175.666.218.6000111.4Q68 G69 E70 V72N66-Q68 PolarHBondContact O-N 3.13Å; N66-Q68 WeakPolarHBondContact OD1-CA 3.25Å; N66-Q68 WeakPolarHBondContact OD1-CB 3.47Å; N66-Q68 PolarHBondContact OD1-N 3.24Å; N66-G69 PolarHBondContact O-N 2.87Å; N66-G69 PolarHBondContact OD1-N 2.96Å; N66-E70 PolarHBondContact N-O 3.39Å; N66-E70 PolarHBondContact OD1-N 3.25Å; N66-E70 PolarHBondContact OD1-O 3Å; N66-V72 HydrophobicContact CB-CG2 3.99Å
67I62.9Low72.1Confident97 Ų9756.1 Ų56.150%0.49734%0.339SS..THydrogen-bonded Turntrans-58.3-15.5177.446.6162.9000114.8G69 D102I67-G69 VanDerWaalsContact C-N 3.34Å; I67-D102 HydrophobicContact CD1-CB 4.16Å; I67-D102 WeakPolarHBondContact CG1-OD1 3.17Å; I67-D102 HydrophobicContact CG2-CB 4.13Å; I67-D102 WeakPolarHBondContact CG2-OD1 3.42Å; I67-D102 WeakPolarHBondContact CG2-OD2 3.47Å
68Q56.7Low72.8Confident45 Ų4553 Ų5321%0.2132%0.322CS..THydrogen-bonded Turntrans-93.5-0.4179.2-59.2165.7-0.100111.9N66 E70 R280N66-Q68 PolarHBondContact O-N 3.13Å; N66-Q68 WeakPolarHBondContact OD1-CA 3.25Å; N66-Q68 WeakPolarHBondContact OD1-CB 3.47Å; N66-Q68 PolarHBondContact OD1-N 3.24Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-R280 VanDerWaalsContact NE2-NE 3.15Å; Q68-R280 VanDerWaalsContact OE1-CZ 3.27Å
69G60.3Low73.8Confident60 Ų6051.6 Ų51.662%0.61931%0.314SS*.SBendtrans76.816.6-179.800000113.8N66 I67N66-G69 PolarHBondContact O-N 2.87Å; N66-G69 PolarHBondContact OD1-N 2.96Å; I67-G69 VanDerWaalsContact C-N 3.34Å
70E65.2Low74.9Confident62 Ų6248.4 Ų48.429%0.2930%0.303SS..PPolyproline II helixtrans-91.6137.8176.2-59.8-174.3159.700109.5S65 N66 Q68 V72 K278S65-E70 WeakPolarHBondContact CA-O 3.47Å; N66-E70 PolarHBondContact N-O 3.39Å; N66-E70 PolarHBondContact OD1-N 3.25Å; N66-E70 PolarHBondContact OD1-O 3Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 2.93Å; E70-K278 WeakPolarHBondContact OE1-CE 3.22Å; E70-K278 IonicContact OE1-NZ 2.67Å; E70-K278 PolarHBondContact OE1-NZ 3.23Å
71D70.3Confident76.3Confident95 Ų9551 Ų5151%0.50831%0.31SS..EExtended strand (participates in β ladder)trans-67.5123.3178.6-69.1-36.6000110.1L61 K73L61-D71 HydrophobicContact CD1-CB 3.77Å; L61-D71 HydrophobicContact CD2-CB 3.47Å; L61-D71 VanDerWaalsContact CD2-CB 3.47Å; L61-D71 HydrophobicContact CG-CB 4.15Å; D71-K73 PolarHBondContact O-N 3.27Å
72V71.9Confident77.7Confident15 Ų1549 Ų499%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-75.7125.9-175.5179.60000109.4L61 T62 S64 N66 E70 V77L61-V72 CarbonylContact C-O 3.43Å; L61-V72 WeakPolarHBondContact CA-O 3.43Å; T62-V72 HydrophobicContact CG2-CG1 4.05Å; T62-V72 PolarHBondContact N-O 2.78Å; T62-V72 PolarHBondContact OG1-O 3.17Å; S64-V72 PolarHBondContact O-N 3.44Å; N66-V72 HydrophobicContact CB-CG2 3.99Å; E70-V72 PolarHBondContact O-N 2.93Å; V72-V77 HydrophobicContact CG1-CG2 3.49Å; V72-V77 VanDerWaalsContact CG1-CG2 3.49Å
73K80.1Confident79.2Confident21 Ų2146.6 Ų46.69%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-88.7149.6175.2-56.9-176.3172.7-158.50110L61 D71 L75 D76 V77 S125 I128 D129L61-K73 HydrophobicContact CD2-CG 4.17Å; D71-K73 PolarHBondContact O-N 3.27Å; K73-L75 PolarHBondContact O-N 2.71Å; K73-L75 VanDerWaalsContact O-N 3.16Å; K73-D76 WeakPolarHBondContact CA-OD2 3.47Å; K73-D76 WeakPolarHBondContact CB-OD2 3.49Å; K73-D76 PolarHBondContact N-OD2 3.38Å; K73-D76 WeakPolarHBondContact O-CB 3.27Å; K73-D76 PolarHBondContact O-N 2.81Å; K73-V77 PolarHBondContact O-N 3.03Å; K73-S125 WeakPolarHBondContact CD-O 3.31Å; K73-S125 VanDerWaalsContact CE-O 3.29Å; K73-S125 WeakPolarHBondContact CE-O 3.44Å; K73-S125 PolarHBondContact NZ-O 2.87Å; K73-I128 HydrophobicContact CD-CB 4.47Å; K73-I128 HydrophobicContact CD-CD1 3.8Å; K73-D129 IonicContact NZ-OD2 3.6Å; K73-D129 PolarHBondContact NZ-OD2 3.43Å
74K86.6Confident80.9Confident87 Ų8743.9 Ų43.938%0.37825%0.252SS..Hα-helixtrans-58-32.9179.2-67174.1-178.6169.30112.5N57 L58 G60 T62 D76 L78N57-K74 PolarHBondContact O-NZ 3.15Å; N57-K74 VanDerWaalsContact O-NZ 3.14Å; L58-K74 HydrophobicContact CD2-CB 4.47Å; G60-K74 PolarHBondContact O-N 2.78Å; T62-K74 HydrophobicContact CG2-CB 4.45Å; T62-K74 HydrophobicContact CG2-CG 3.98Å; K74-D76 VanDerWaalsContact C-N 3.35Å; K74-L78 PolarHBondContact O-N 2.86Å
75L90.6Very high82.4Confident1 Ų145.2 Ų45.21%0.00525%0.254CS..Hα-helixtrans-71.9-30.2179.2-156.962000112.1A49 V50 A53 L58 K73 L78 S79 L122 I128 I134A49-L75 HydrophobicContact CB-CD1 4.01Å; V50-L75 HydrophobicContact CG2-CD2 3.9Å; A53-L75 HydrophobicContact CB-CD2 4.27Å; L58-L75 HydrophobicContact CB-CD1 4.28Å; L58-L75 HydrophobicContact CD1-CD1 3.72Å; K73-L75 PolarHBondContact O-N 2.71Å; K73-L75 VanDerWaalsContact O-N 3.16Å; L75-L78 HydrophobicContact CD1-CD2 4.26Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.38Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.18Å; L75-L122 HydrophobicContact CB-CD2 3.77Å; L75-L122 HydrophobicContact CD2-CD2 3.84Å; L75-L122 HydrophobicContact CG-CD2 3.59Å; L75-I128 HydrophobicContact CB-CD1 4.17Å; L75-I128 HydrophobicContact CD2-CD1 4.08Å; L75-I128 HydrophobicContact CD2-CG1 4.39Å; L75-I128 HydrophobicContact CD2-CG2 4.07Å; L75-I134 HydrophobicContact CD2-CD1 4.47Å
76D91.2Very high84.2Confident4 Ų444.2 Ų44.22%0.02124%0.242CC..Hα-helixtrans-64.4-49.9174.2-54.7-28.7000109.4K73 K74 L78 S79 N80 L122 S125K73-D76 WeakPolarHBondContact CA-OD2 3.47Å; K73-D76 WeakPolarHBondContact CB-OD2 3.49Å; K73-D76 PolarHBondContact N-OD2 3.38Å; K73-D76 WeakPolarHBondContact O-CB 3.27Å; K73-D76 PolarHBondContact O-N 2.81Å; K74-D76 VanDerWaalsContact C-N 3.35Å; D76-L78 PolarHBondContact O-N 2.85Å; D76-S79 PolarHBondContact O-N 2.8Å; D76-N80 WeakPolarHBondContact O-CB 3.45Å; D76-N80 PolarHBondContact O-N 3.27Å; D76-L122 WeakPolarHBondContact OD1-CD2 3Å; D76-S125 WeakPolarHBondContact OD1-CB 3.5Å
77V92Very high85.8Confident58 Ų5843 Ų4335%0.35224%0.235SC..Hα-helixtrans-59.2-49177.2179.30000111.7T62 V72 K73 S79 N80 D81T62-V77 HydrophobicContact CG2-CG2 3.82Å; V72-V77 HydrophobicContact CG1-CG2 3.49Å; V72-V77 VanDerWaalsContact CG1-CG2 3.49Å; K73-V77 PolarHBondContact O-N 3.03Å; V77-S79 VanDerWaalsContact C-N 3.3Å; V77-S79 PolarHBondContact O-N 2.8Å; V77-N80 PolarHBondContact O-N 2.84Å; V77-D81 PolarHBondContact O-N 2.89Å
78L93.8Very high87.5Confident57 Ų5739.9 Ų39.930%0.29822%0.218SC..Hα-helixtrans-58.8-44.6178.4176.264.1000111.4A49 L58 K74 L75 D76 L82A49-L78 HydrophobicContact CB-CD2 3.59Å; L58-L78 HydrophobicContact CD1-CD2 3.82Å; L58-L78 HydrophobicContact CD2-CD2 4.48Å; K74-L78 PolarHBondContact O-N 2.86Å; L75-L78 HydrophobicContact CD1-CD2 4.26Å; D76-L78 PolarHBondContact O-N 2.85Å; L78-L82 HydrophobicContact CD1-CD1 4.07Å; L78-L82 HydrophobicContact CD1-CG 4.24Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CB 3.29Å; L78-L82 VanDerWaalsContact O-CG 3.22Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.89Å
79S96.4Very high89.4Confident0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-65.8-44.1-179.2-56.60000110.5L75 D76 V77 D81 L82 F83L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.38Å; L75-S79 PolarHBondContact O-N 3.46Å; L75-S79 PolarHBondContact O-OG 3.18Å; D76-S79 PolarHBondContact O-N 2.8Å; V77-S79 VanDerWaalsContact C-N 3.3Å; V77-S79 PolarHBondContact O-N 2.8Å; S79-D81 PolarHBondContact O-N 2.86Å; S79-L82 PolarHBondContact O-N 3.36Å; S79-F83 WeakPolarHBondContact O-CD2 3.32Å; S79-F83 PolarHBondContact O-N 3.38Å
80N97.6Very high91.1Very high10 Ų1037.6 Ų37.65%0.05320%0.197CC..Hα-helixtrans-58.4-49.9176.6-169.246.8000112D76 V77 L82 F83 I84 S98 E100 N101 P121D76-N80 WeakPolarHBondContact O-CB 3.45Å; D76-N80 PolarHBondContact O-N 3.27Å; V77-N80 PolarHBondContact O-N 2.84Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-L82 PolarHBondContact O-N 3.12Å; N80-F83 PolarHBondContact O-N 2.98Å; N80-I84 WeakPolarHBondContact ND2-CD1 3.15Å; N80-I84 VanDerWaalsContact O-CG1 3.29Å; N80-I84 WeakPolarHBondContact O-CG1 3.41Å; N80-I84 PolarHBondContact O-N 2.9Å; N80-S98 WeakPolarHBondContact OD1-CB 3.34Å; N80-S98 PolarHBondContact OD1-OG 3.45Å; N80-E100 HydrophobicContact CB-CB 4.11Å; N80-E100 HydrophobicContact CB-CG 4.2Å; N80-N101 PolarHBondContact ND2-OD1 3.31Å; N80-N101 PolarHBondContact OD1-OD1 2.98Å; N80-P121 HydrophobicContact CB-CB 4.3Å; N80-P121 HydrophobicContact CB-CG 4.02Å
81D97.6Very high92.5Very high80 Ų8041.1 Ų41.143%0.42821%0.209SC..Hα-helixtrans-61.2-42.5179.3-73.8-14.6000111.9V77 S79 N85V77-D81 PolarHBondContact O-N 2.89Å; S79-D81 PolarHBondContact O-N 2.86Å; D81-N85 VanDerWaalsContact O-CB 3.25Å; D81-N85 WeakPolarHBondContact O-CB 3.07Å; D81-N85 PolarHBondContact O-N 3.25Å; D81-N85 PolarHBondContact O-ND2 3.46Å
82L97.9Very high93.7Very high42 Ų4236.7 Ų36.722%0.2219%0.186CC..Hα-helixtrans-61.5-46.8176.6-74.8170000111.5A45 V46 L78 S79 N80 M86A45-L82 HydrophobicContact CB-CD1 3.78Å; A45-L82 HydrophobicContact CB-CD2 3.98Å; A45-L82 HydrophobicContact CB-CG 4.44Å; V46-L82 HydrophobicContact CG2-CB 4.46Å; V46-L82 HydrophobicContact CG2-CD1 3.89Å; L78-L82 HydrophobicContact CD1-CD1 4.07Å; L78-L82 HydrophobicContact CD1-CG 4.24Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CB 3.29Å; L78-L82 VanDerWaalsContact O-CG 3.22Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.89Å; S79-L82 PolarHBondContact O-N 3.36Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-L82 PolarHBondContact O-N 3.12Å; L82-M86 WeakPolarHBondContact O-CB 3.28Å; L82-M86 VanDerWaalsContact O-CG 3.23Å; L82-M86 WeakPolarHBondContact O-CG 3.49Å; L82-M86 PolarHBondContact O-N 3.11Å
83F98.5Very high94.9Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-61.7-52.5177-91.9-98.9000111.2L39 A42 I43 V46 S79 N80 N85 M86 L87 F119 P121L39-F83 HydrophobicContact CD2-CD1 4.15Å; L39-F83 HydrophobicContact CD2-CE1 3.82Å; A42-F83 HydrophobicContact CB-CD1 4.36Å; A42-F83 HydrophobicContact CB-CD2 4.01Å; A42-F83 HydrophobicContact CB-CE2 4.2Å; A42-F83 HydrophobicContact CB-CG 4.11Å; A42-F83 HydrophobicContact CB-CZ 4.45Å; I43-F83 HydrophobicContact CG1-CZ 3.82Å; V46-F83 HydrophobicContact CG2-CD2 4.3Å; V46-F83 HydrophobicContact CG2-CE2 4.05Å; S79-F83 WeakPolarHBondContact O-CD2 3.32Å; S79-F83 PolarHBondContact O-N 3.38Å; N80-F83 PolarHBondContact O-N 2.98Å; F83-N85 VanDerWaalsContact C-N 3.32Å; F83-N85 PolarHBondContact O-N 2.98Å; F83-M86 PolarHBondContact O-N 2.84Å; F83-L87 HydrophobicContact CB-CD1 4.49Å; F83-L87 HydrophobicContact CD1-CD1 4.35Å; F83-L87 VanDerWaalsContact O-CB 3.25Å; F83-L87 WeakPolarHBondContact O-CB 3.48Å; F83-L87 WeakPolarHBondContact O-CG 3.44Å; F83-L87 PolarHBondContact O-N 2.89Å; F83-F119 HydrophobicContact CB-CD2 3.94Å; F83-F119 HydrophobicContact CB-CE2 3.56Å; F83-F119 HydrophobicContact CB-CZ 4.13Å; F83-F119 AromaticContact CD1-CD2 3.95Å; F83-F119 HydrophobicContact CD1-CD2 3.95Å; F83-F119 HydrophobicContact CD1-CE2 4.44Å; F83-F119 HydrophobicContact CD1-CG 4.3Å; F83-F119 HydrophobicContact CG-CD2 4.03Å; F83-F119 HydrophobicContact CG-CE2 4.16Å; F83-P121 HydrophobicContact CD2-CB 4.28Å
84I98.5Very high95.7Very high19 Ų1935.2 Ų35.210%0.09718%0.178CC..Hα-helixtrans-55.7-47.9-179.5-68164.5000110.9N80 L87 K88 L96 I105 F119N80-I84 WeakPolarHBondContact ND2-CD1 3.15Å; N80-I84 VanDerWaalsContact O-CG1 3.29Å; N80-I84 WeakPolarHBondContact O-CG1 3.41Å; N80-I84 PolarHBondContact O-N 2.9Å; I84-L87 PolarHBondContact O-N 3.09Å; I84-K88 HydrophobicContact CG2-CD 4.04Å; I84-K88 HydrophobicContact CG2-CG 4.45Å; I84-K88 WeakPolarHBondContact O-CB 3.29Å; I84-K88 WeakPolarHBondContact O-CG 3.32Å; I84-K88 PolarHBondContact O-N 3.14Å; I84-L96 HydrophobicContact CG2-CD1 4.29Å; I84-I105 HydrophobicContact CD1-CD1 3.41Å; I84-I105 VanDerWaalsContact CD1-CD1 3.41Å; I84-I105 HydrophobicContact CG1-CD1 3.67Å; I84-I105 HydrophobicContact CG2-CD1 4.49Å; I84-F119 HydrophobicContact CG1-CZ 3.95Å
85N98.2Very high96.2Very high93 Ų9331.1 Ų31.150%0.49716%0.161SC..Hα-helixtrans-65.3-45.1-177.8-72.4-36.2000112.2D81 F83 S89D81-N85 VanDerWaalsContact O-CB 3.25Å; D81-N85 WeakPolarHBondContact O-CB 3.07Å; D81-N85 PolarHBondContact O-N 3.25Å; D81-N85 PolarHBondContact O-ND2 3.46Å; F83-N85 VanDerWaalsContact C-N 3.32Å; F83-N85 PolarHBondContact O-N 2.98Å; N85-S89 WeakPolarHBondContact O-CB 3.42Å; N85-S89 PolarHBondContact O-N 3.31Å; N85-S89 PolarHBondContact O-OG 2.88Å
86M97.9Very high96.6Very high56 Ų5631.1 Ų31.128%0.27616%0.161SC..Hα-helixtrans-70.1-33.6179.9-66.8-59.596.900112.3G38 T41 A42 L82 F83 S89 S90G38-M86 WeakPolarHBondContact O-CB 3.33Å; T41-M86 HydrophobicContact CG2-SD 3.77Å; A42-M86 HydrophobicContact CB-CB 4Å; A42-M86 HydrophobicContact CB-CG 3.95Å; L82-M86 WeakPolarHBondContact O-CB 3.28Å; L82-M86 VanDerWaalsContact O-CG 3.23Å; L82-M86 WeakPolarHBondContact O-CG 3.49Å; L82-M86 PolarHBondContact O-N 3.11Å; F83-M86 PolarHBondContact O-N 2.84Å; M86-S89 WeakPolarHBondContact CA-OG 3.44Å; M86-S89 PolarHBondContact O-OG 2.94Å; M86-S90 PolarHBondContact O-N 2.98Å
87L98.2Very high96.9Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-71.6-47.3176.7-68.3175.6000111.5L35 L39 F83 I84 S89 S90 T93 L96 V117 F119L35-L87 HydrophobicContact CD1-CD2 3.5Å; L35-L87 VanDerWaalsContact CD1-CD2 3.5Å; L39-L87 HydrophobicContact CD2-CD2 3.75Å; L39-L87 HydrophobicContact CG-CD2 3.75Å; F83-L87 HydrophobicContact CB-CD1 4.49Å; F83-L87 HydrophobicContact CD1-CD1 4.35Å; F83-L87 VanDerWaalsContact O-CB 3.25Å; F83-L87 WeakPolarHBondContact O-CB 3.48Å; F83-L87 WeakPolarHBondContact O-CG 3.44Å; F83-L87 PolarHBondContact O-N 2.89Å; I84-L87 PolarHBondContact O-N 3.09Å; L87-S89 VanDerWaalsContact C-N 3.35Å; L87-S89 PolarHBondContact O-N 2.8Å; L87-S90 VanDerWaalsContact O-CB 3.27Å; L87-S90 WeakPolarHBondContact O-CB 3.25Å; L87-S90 PolarHBondContact O-N 3.26Å; L87-S90 VanDerWaalsContact O-N 3.13Å; L87-S90 PolarHBondContact O-OG 2.82Å; L87-T93 PolarHBondContact O-OG1 2.94Å; L87-L96 HydrophobicContact CB-CD1 4.02Å; L87-L96 HydrophobicContact CB-CD2 3.86Å; L87-L96 HydrophobicContact CD1-CD2 4.04Å; L87-V117 HydrophobicContact CD1-CB 4.13Å; L87-V117 HydrophobicContact CD1-CG1 3.81Å; L87-V117 HydrophobicContact CD2-CG1 4.36Å; L87-V117 HydrophobicContact CD2-CG2 4.24Å; L87-F119 HydrophobicContact CD1-CD1 4.08Å; L87-F119 HydrophobicContact CD1-CE1 4.07Å
88K97.4Very high97.2Very high32 Ų3228.2 Ų28.214%0.13914%0.143CC..Hα-helixtrans-59.4-43.7174.6-76.7-175.5164.5-162.40112.4I84 S90 Y91 L96 V107 E108I84-K88 HydrophobicContact CG2-CD 4.04Å; I84-K88 HydrophobicContact CG2-CG 4.45Å; I84-K88 WeakPolarHBondContact O-CB 3.29Å; I84-K88 WeakPolarHBondContact O-CG 3.32Å; I84-K88 PolarHBondContact O-N 3.14Å; K88-S90 PolarHBondContact O-N 2.92Å; K88-Y91 PolarHBondContact O-N 2.85Å; K88-L96 HydrophobicContact CG-CD1 4.07Å; K88-V107 HydrophobicContact CG-CG1 4.31Å; K88-V107 HydrophobicContact CG-CG2 4.23Å; K88-E108 WeakPolarHBondContact CD-OE2 3.46Å; K88-E108 IonicContact NZ-OE1 2.67Å; K88-E108 PolarHBondContact NZ-OE1 3.3Å; K88-E108 IonicContact NZ-OE2 3.18Å; K88-E108 PolarHBondContact NZ-OE2 2.85Å
89S96.6Very high97.4Very high54 Ų5426.1 Ų26.138%0.37813%0.132SC..THydrogen-bonded Turntrans-75-2.5179.559.60000114.2N85 M86 L87 Y91N85-S89 WeakPolarHBondContact O-CB 3.42Å; N85-S89 PolarHBondContact O-N 3.31Å; N85-S89 PolarHBondContact O-OG 2.88Å; M86-S89 WeakPolarHBondContact CA-OG 3.44Å; M86-S89 PolarHBondContact O-OG 2.94Å; L87-S89 VanDerWaalsContact C-N 3.35Å; L87-S89 PolarHBondContact O-N 2.8Å; S89-Y91 VanDerWaalsContact C-N 3.27Å; S89-Y91 WeakPolarHBondContact O-CD2 3.47Å; S89-Y91 WeakPolarHBondContact O-CE2 3.38Å; S89-Y91 PolarHBondContact O-N 2.87Å
90S96.3Very high97.3Very high3 Ų327.8 Ų27.82%0.02114%0.14CC..THydrogen-bonded Turntrans-76-12.517377.30000113.6Q34 M86 L87 K88 S92Q34-S90 WeakPolarHBondContact CG-O 3.12Å; M86-S90 PolarHBondContact O-N 2.98Å; L87-S90 VanDerWaalsContact O-CB 3.27Å; L87-S90 WeakPolarHBondContact O-CB 3.25Å; L87-S90 PolarHBondContact O-N 3.26Å; L87-S90 VanDerWaalsContact O-N 3.13Å; L87-S90 PolarHBondContact O-OG 2.82Å; K88-S90 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact O-N 3.42Å; S90-S92 PolarHBondContact O-OG 3.43Å; S90-S92 WeakPolarHBondContact OG-CB 3.18Å; S90-S92 PolarHBondContact OG-N 2.81Å
91Y95.4Very high97.2Very high136 Ų13629.4 Ų29.453%0.53315%0.148SC..THydrogen-bonded Turntrans54.521.2-173.9-61.6-93.4000114.2K88 S89 K111K88-Y91 PolarHBondContact O-N 2.85Å; S89-Y91 VanDerWaalsContact C-N 3.27Å; S89-Y91 WeakPolarHBondContact O-CD2 3.47Å; S89-Y91 WeakPolarHBondContact O-CE2 3.38Å; S89-Y91 PolarHBondContact O-N 2.87Å; Y91-K111 CarbonylContact C-O 3.49Å; Y91-K111 VanDerWaalsContact CA-O 3.3Å; Y91-K111 WeakPolarHBondContact CA-O 3.47Å; Y91-K111 HydrophobicContact CD1-CB 4.32Å; Y91-K111 HydrophobicContact CD1-CG 4.21Å; Y91-K111 HydrophobicContact CE1-CB 4.42Å; Y91-K111 HydrophobicContact CE1-CG 3.82Å
92S95.6Very high97Very high3 Ų329.4 Ų29.42%0.02115%0.148CC..  trans-121.3-8.6-169.2-58.80000112.9E31 S90 G113 K114 Y115E31-S92 WeakPolarHBondContact O-CB 3.28Å; E31-S92 PolarHBondContact O-OG 3.47Å; E31-S92 VanDerWaalsContact O-OG 3.08Å; S90-S92 PolarHBondContact O-N 3.42Å; S90-S92 PolarHBondContact O-OG 3.43Å; S90-S92 WeakPolarHBondContact OG-CB 3.18Å; S90-S92 PolarHBondContact OG-N 2.81Å; S92-G113 VanDerWaalsContact C-CA 3.48Å; S92-G113 CarbonylContact O-C 3.33Å; S92-K114 PolarHBondContact O-N 3.41Å; S92-Y115 WeakPolarHBondContact O-CB 3.29Å; S92-Y115 WeakPolarHBondContact O-CD2 3.39Å; S92-Y115 PolarHBondContact O-N 3Å
93T96.8Very high96.9Very high0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-114.1144.7-176.357.60000111.9L35 L87 L96 V107 Q112 G113 Y115 V117L35-T93 HydrophobicContact CD1-CG2 3.59Å; L35-T93 HydrophobicContact CD2-CG2 4.37Å; L87-T93 PolarHBondContact O-OG1 2.94Å; T93-L96 HydrophobicContact CG2-CD2 3.93Å; T93-V107 WeakPolarHBondContact O-CB 3.35Å; T93-V107 WeakPolarHBondContact O-CG1 3.2Å; T93-Q112 WeakPolarHBondContact O-CA 3.12Å; T93-G113 PolarHBondContact O-N 2.7Å; T93-Y115 CarbonylContact C-O 3.42Å; T93-Y115 WeakPolarHBondContact CA-O 3.45Å; T93-V117 HydrophobicContact CG2-CG2 3.61Å
94C96.7Very high96.8Very high4 Ų434.9 Ų34.93%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-106.6-24.3170.562.50000113.5V107 Q112 G113 Y115 V152C94-V107 PolarHBondContact O-N 3.25Å; C94-V107 VanDerWaalsContact O-N 3.14Å; C94-Q112 HydrophobicContact CB-CG 4.39Å; C94-G113 VanDerWaalsContact CB-O 3.28Å; C94-G113 WeakPolarHBondContact CB-O 3.41Å; C94-G113 PolarHBondContact N-O 2.83Å; C94-Y115 PolarHBondContact N-O 2.81Å; C94-Y115 PolarHBondContact SG-O 3.21Å; C94-V152 HydrophobicContact CB-CG2 4.25Å
95L97.6Very high96.8Very high2 Ų235.2 Ų35.21%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-149.7138.1-175.3-168.872.6000109.9I97 A104 I116 V117 V152 I156 A157L95-I97 HydrophobicContact CD2-CD1 4.29Å; L95-I97 HydrophobicContact CG-CD1 4.39Å; L95-A104 HydrophobicContact CD1-CB 3.84Å; L95-A104 HydrophobicContact CD2-CB 4.44Å; L95-A104 HydrophobicContact CG-CB 4.26Å; L95-I116 HydrophobicContact CB-CG1 4.21Å; L95-I116 HydrophobicContact CB-CG2 4.15Å; L95-I116 HydrophobicContact CD2-CG2 4.33Å; L95-I116 VanDerWaalsContact O-CA 3.31Å; L95-I116 WeakPolarHBondContact O-CA 3.46Å; L95-V117 PolarHBondContact O-N 2.92Å; L95-V117 VanDerWaalsContact O-N 3.09Å; L95-V152 HydrophobicContact CB-CG1 4.14Å; L95-V152 HydrophobicContact CD1-CG1 4.11Å; L95-V152 HydrophobicContact CD2-CG1 4.3Å; L95-V152 HydrophobicContact CG-CG1 4.43Å; L95-I156 HydrophobicContact CD2-CD1 4.45Å; L95-I156 HydrophobicContact CD2-CG1 3.81Å; L95-A157 HydrophobicContact CD2-CB 3.86Å
96L98.4Very high96.7Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-122136.3176.7-43.3175.2000110.1I84 L87 K88 T93 I105 V107 V117 F119I84-L96 HydrophobicContact CG2-CD1 4.29Å; L87-L96 HydrophobicContact CB-CD1 4.02Å; L87-L96 HydrophobicContact CB-CD2 3.86Å; L87-L96 HydrophobicContact CD1-CD2 4.04Å; K88-L96 HydrophobicContact CG-CD1 4.07Å; T93-L96 HydrophobicContact CG2-CD2 3.93Å; L96-I105 HydrophobicContact CB-CB 4.14Å; L96-I105 PolarHBondContact N-O 3.08Å; L96-I105 PolarHBondContact O-N 3.01Å; L96-V107 HydrophobicContact CD2-CG2 4.45Å; L96-V107 HydrophobicContact CG-CG2 4.09Å; L96-V117 CarbonylContact C-O 3.55Å; L96-V117 WeakPolarHBondContact CA-O 3.25Å; L96-V117 HydrophobicContact CD2-CB 4.06Å; L96-V117 HydrophobicContact CD2-CG2 4.42Å; L96-F119 HydrophobicContact CB-CE1 4.08Å
97I98.5Very high96.6Very high1 Ų132 Ų321%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-118.8115.1173.9-50.2-59.9000107.4L95 A104 V117 C118 F119 A157 Y283 I314L95-I97 HydrophobicContact CD2-CD1 4.29Å; L95-I97 HydrophobicContact CG-CD1 4.39Å; I97-A104 HydrophobicContact CD1-CB 3.31Å; I97-V117 PolarHBondContact N-O 3.07Å; I97-C118 HydrophobicContact CB-CB 4.18Å; I97-C118 CarbonylContact O-C 3.6Å; I97-C118 VanDerWaalsContact O-CA 3.28Å; I97-C118 WeakPolarHBondContact O-CA 3.19Å; I97-F119 VanDerWaalsContact O-CD1 3.3Å; I97-F119 WeakPolarHBondContact O-CD1 3.24Å; I97-F119 PolarHBondContact O-N 3.09Å; I97-A157 HydrophobicContact CD1-CB 3.95Å; I97-A157 HydrophobicContact CG1-CB 3.79Å; I97-Y283 HydrophobicContact CG2-CD1 4.21Å; I97-Y283 HydrophobicContact CG2-CE1 4.28Å; I97-I314 HydrophobicContact CD1-CB 4.47Å; I97-I314 HydrophobicContact CD1-CG2 4Å; I97-I314 HydrophobicContact CG2-CB 4.03Å
98S98.1Very high96.5Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-107.2151.6176.4-171.80000110.1N80 E100 N101 F119 H315N80-S98 WeakPolarHBondContact OD1-CB 3.34Å; N80-S98 PolarHBondContact OD1-OG 3.45Å; S98-E100 PolarHBondContact O-N 3.19Å; S98-E100 PolarHBondContact OG-N 2.87Å; S98-N101 VanDerWaalsContact CB-OD1 3.28Å; S98-N101 WeakPolarHBondContact CB-OD1 3.46Å; S98-F119 WeakPolarHBondContact CA-O 3.37Å; S98-F119 VanDerWaalsContact CB-CZ 3.47Å; S98-F119 WeakPolarHBondContact OG-CE2 3.31Å; S98-H315 PolarHBondContact O-CE1 3.42Å
99E96.3Very high96.3Very high14 Ų1439 Ų397%0.06520%0.196CC..THydrogen-bonded Turntrans-58.8-36.9163.5-176.7171.1-157.500112N101 F119 R280 Y283E99-N101 VanDerWaalsContact C-N 3.27Å; E99-N101 PolarHBondContact O-N 3.29Å; E99-F119 PolarHBondContact N-O 2.96Å; E99-F119 VanDerWaalsContact N-O 3.15Å; E99-R280 IonicContact OE1-CZ 2.74Å; E99-R280 IonicContact OE1-NE 2.8Å; E99-R280 IonicContact OE1-NH1 2.97Å; E99-R280 PolarHBondContact OE1-NH1 3.03Å; E99-R280 IonicContact OE1-NH2 2.82Å; E99-Y283 HydrophobicContact CB-CD2 3.98Å; E99-Y283 HydrophobicContact CB-CE2 3.47Å; E99-Y283 VanDerWaalsContact CB-CE2 3.47Å; E99-Y283 HydrophobicContact CG-CE2 3.71Å
100E94.5Very high96.2Very high34 Ų3441.4 Ų41.416%0.15920%0.204CC..THydrogen-bonded Turntrans-84.32.6-171.4-59.3-57151.600113.8N80 S98 P121N80-E100 HydrophobicContact CB-CB 4.11Å; N80-E100 HydrophobicContact CB-CG 4.2Å; S98-E100 PolarHBondContact O-N 3.19Å; S98-E100 PolarHBondContact OG-N 2.87Å; E100-P121 HydrophobicContact CG-CG 3.63Å
101N95.9Very high96.1Very high44 Ų4444 Ų4424%0.23522%0.215CC..  trans-126.1123.1-179-68.696000110.9N80 S98 E99 E103 I105 H315N80-N101 PolarHBondContact ND2-OD1 3.31Å; N80-N101 PolarHBondContact OD1-OD1 2.98Å; S98-N101 VanDerWaalsContact CB-OD1 3.28Å; S98-N101 WeakPolarHBondContact CB-OD1 3.46Å; E99-N101 VanDerWaalsContact C-N 3.27Å; E99-N101 PolarHBondContact O-N 3.29Å; N101-E103 PolarHBondContact O-N 3.45Å; N101-I105 HydrophobicContact CB-CD1 4.3Å; N101-I105 HydrophobicContact CB-CG1 4.43Å; N101-H315 PolarHBondContact O-CE1 3.41Å; N101-H315 PolarHBondContact O-NE2 3.08Å; N101-H315 VanDerWaalsContact O-NE2 3.16Å
102D93.1Very high96.1Very high80 Ų8038 Ų3843%0.42819%0.192SC..SBendtrans-61.1-32.4-179.3-53.2-11.1000113.4I67 H315I67-D102 HydrophobicContact CD1-CB 4.16Å; I67-D102 WeakPolarHBondContact CG1-OD1 3.17Å; I67-D102 HydrophobicContact CG2-CB 4.13Å; I67-D102 WeakPolarHBondContact CG2-OD1 3.42Å; I67-D102 WeakPolarHBondContact CG2-OD2 3.47Å; D102-H315 PolarHBondContact O-NE2 2.94Å
103E95.7Very high96.1Very high135 Ų13538.6 Ų38.663%0.63120%0.199SC*.SBendtrans-119.4151.9-176.9-66.6-64157.100110.3N101 I105N101-E103 PolarHBondContact O-N 3.45Å; E103-I105 PolarHBondContact O-N 2.78Å
104A97Very high95.9Very high22 Ų2239.1 Ų39.118%0.18220%0.201CC..  trans-61.9136.217300000110.9L95 I97 E106 H154L95-A104 HydrophobicContact CD1-CB 3.84Å; L95-A104 HydrophobicContact CD2-CB 4.44Å; L95-A104 HydrophobicContact CG-CB 4.26Å; I97-A104 HydrophobicContact CD1-CB 3.31Å; A104-E106 PolarHBondContact O-N 2.96Å; A104-H154 HydrophobicContact CB-CB 3.57Å
105I97.8Very high95.9Very high27 Ų2739.9 Ų39.914%0.13820%0.204CC..EExtended strand (participates in β ladder)trans-91.2107.9179.7-54.8164.1000108.5I84 L96 N101 E103I84-I105 HydrophobicContact CD1-CD1 3.41Å; I84-I105 VanDerWaalsContact CD1-CD1 3.41Å; I84-I105 HydrophobicContact CG1-CD1 3.67Å; I84-I105 HydrophobicContact CG2-CD1 4.49Å; L96-I105 HydrophobicContact CB-CB 4.14Å; L96-I105 PolarHBondContact N-O 3.08Å; L96-I105 PolarHBondContact O-N 3.01Å; N101-I105 HydrophobicContact CB-CD1 4.3Å; N101-I105 HydrophobicContact CB-CG1 4.43Å; E103-I105 PolarHBondContact O-N 2.78Å
106E96.8Very high96Very high81 Ų8139.8 Ų39.838%0.37920%0.203SC..EExtended strand (participates in β ladder)trans-70.1133.2170.5-174.5171.1-166.600110.7A104 V151 V152A104-E106 PolarHBondContact O-N 2.96Å; E106-V151 VanDerWaalsContact OE1-CA 3.25Å; E106-V151 WeakPolarHBondContact OE1-CA 3.03Å; E106-V152 HydrophobicContact CG-CB 4.38Å; E106-V152 PolarHBondContact OE1-N 3.49Å
107V96.7Very high96Very high1 Ų139.8 Ų39.81%0.00620%0.203CC..PPolyproline II helixtrans-85.1138.3175.6-179.20000109.3K88 T93 C94 L96 K111 Q112K88-V107 HydrophobicContact CG-CG1 4.31Å; K88-V107 HydrophobicContact CG-CG2 4.23Å; T93-V107 WeakPolarHBondContact O-CB 3.35Å; T93-V107 WeakPolarHBondContact O-CG1 3.2Å; C94-V107 PolarHBondContact O-N 3.25Å; C94-V107 VanDerWaalsContact O-N 3.14Å; L96-V107 HydrophobicContact CD2-CG2 4.45Å; L96-V107 HydrophobicContact CG-CG2 4.09Å; V107-K111 HydrophobicContact CG1-CB 3.69Å; V107-Q112 HydrophobicContact CB-CG 4.26Å; V107-Q112 HydrophobicContact CG1-CG 4.41Å; V107-Q112 VanDerWaalsContact O-CG 3.29Å; V107-Q112 WeakPolarHBondContact O-CG 3.25Å; V107-Q112 PolarHBondContact O-NE2 2.85Å
108E95.4Very high96Very high75 Ų7539.8 Ų39.835%0.3520%0.203SC..PPolyproline II helixtrans-57.9141.1179.8-56.684.9169.200111.3K88 D110 K111 Q112K88-E108 WeakPolarHBondContact CD-OE2 3.46Å; K88-E108 IonicContact NZ-OE1 2.67Å; K88-E108 PolarHBondContact NZ-OE1 3.3Å; K88-E108 IonicContact NZ-OE2 3.18Å; K88-E108 PolarHBondContact NZ-OE2 2.85Å; E108-D110 VanDerWaalsContact C-N 3.27Å; E108-D110 WeakPolarHBondContact CB-OD1 3.26Å; E108-D110 PolarHBondContact O-N 3.35Å; E108-D110 VanDerWaalsContact O-N 3.11Å; E108-K111 CarbonylContact O-C 3.54Å; E108-K111 WeakPolarHBondContact O-CA 3.5Å; E108-K111 PolarHBondContact O-N 3.49Å; E108-Q112 WeakPolarHBondContact O-CG 3.29Å; E108-Q112 PolarHBondContact O-N 3.1Å
109L93.7Very high96Very high103 Ų10339.8 Ų39.854%0.53920%0.203SC..G310 helixtrans-51.9-40.1-170.4-69.1172.3000114.3K111 Q112 K149 G150L109-K111 PolarHBondContact O-N 2.89Å; L109-Q112 PolarHBondContact O-N 3.04Å; L109-K149 PolarHBondContact O-NZ 3.25Å; L109-G150 VanDerWaalsContact CD2-CA 3.5Å
110D94.3Very high96.1Very high104 Ų10439.1 Ų39.156%0.55620%0.2SC*.G310 helixtrans-69.5-21.6179.263.9-55.3000112.9E108E108-D110 VanDerWaalsContact C-N 3.27Å; E108-D110 WeakPolarHBondContact CB-OD1 3.26Å; E108-D110 PolarHBondContact O-N 3.35Å; E108-D110 VanDerWaalsContact O-N 3.11Å
111K94.9Very high96.2Very high59 Ų5937.5 Ų37.526%0.25719%0.192SC..G310 helixtrans-103.2-5.9179.5-62.2178-171.2169.40114.1Y91 V107 E108 L109 G113Y91-K111 CarbonylContact C-O 3.49Å; Y91-K111 VanDerWaalsContact CA-O 3.3Å; Y91-K111 WeakPolarHBondContact CA-O 3.47Å; Y91-K111 HydrophobicContact CD1-CB 4.32Å; Y91-K111 HydrophobicContact CD1-CG 4.21Å; Y91-K111 HydrophobicContact CE1-CB 4.42Å; Y91-K111 HydrophobicContact CE1-CG 3.82Å; V107-K111 HydrophobicContact CG1-CB 3.69Å; E108-K111 CarbonylContact O-C 3.54Å; E108-K111 WeakPolarHBondContact O-CA 3.5Å; E108-K111 PolarHBondContact O-N 3.49Å; L109-K111 PolarHBondContact O-N 2.89Å; K111-G113 PolarHBondContact O-N 3.01Å
112Q95.1Very high96.3Very high8 Ų835.6 Ų35.64%0.03718%0.182CC..  trans-63133.7-179.4-74.2-176.8-6.300112.2T93 C94 V107 E108 L109 K149 G150T93-Q112 WeakPolarHBondContact O-CA 3.12Å; C94-Q112 HydrophobicContact CB-CG 4.39Å; V107-Q112 HydrophobicContact CB-CG 4.26Å; V107-Q112 HydrophobicContact CG1-CG 4.41Å; V107-Q112 VanDerWaalsContact O-CG 3.29Å; V107-Q112 WeakPolarHBondContact O-CG 3.25Å; V107-Q112 PolarHBondContact O-NE2 2.85Å; E108-Q112 WeakPolarHBondContact O-CG 3.29Å; E108-Q112 PolarHBondContact O-N 3.1Å; L109-Q112 PolarHBondContact O-N 3.04Å; Q112-K149 HydrophobicContact CB-CD 4.42Å; Q112-K149 HydrophobicContact CB-CG 4.24Å; Q112-K149 WeakPolarHBondContact O-CE 3.38Å; Q112-K149 PolarHBondContact O-NZ 2.89Å; Q112-K149 VanDerWaalsContact O-NZ 3.08Å; Q112-G150 PolarHBondContact NE2-O 3.41Å; Q112-G150 PolarHBondContact OE1-O 3.16Å
113G94.2Very high96.4Very high16 Ų1632.3 Ų32.317%0.16516%0.164CC..  trans-130.2-168166.600000111.8S92 T93 C94 K111 Y115S92-G113 VanDerWaalsContact C-CA 3.48Å; S92-G113 CarbonylContact O-C 3.33Å; T93-G113 PolarHBondContact O-N 2.7Å; C94-G113 VanDerWaalsContact CB-O 3.28Å; C94-G113 WeakPolarHBondContact CB-O 3.41Å; C94-G113 PolarHBondContact N-O 2.83Å; K111-G113 PolarHBondContact O-N 3.01Å; G113-Y115 PolarHBondContact O-N 3.09Å
114K94.2Very high96.2Very high11 Ų1126.3 Ų26.35%0.04814%0.139CC..SBendtrans-89.75.1-166.974.8-165.1168.5-155.90117T29 E31 S92 S143 N147T29-K114 PolarHBondContact OG1-NZ 2.92Å; E31-K114 WeakPolarHBondContact OE1-CE 3.48Å; E31-K114 IonicContact OE1-NZ 3.86Å; E31-K114 PolarHBondContact OE1-NZ 3.17Å; E31-K114 VanDerWaalsContact OE2-CD 3.27Å; E31-K114 WeakPolarHBondContact OE2-CD 3.36Å; E31-K114 WeakPolarHBondContact OE2-CE 3.39Å; E31-K114 VanDerWaalsContact OE2-CG 3.24Å; E31-K114 WeakPolarHBondContact OE2-CG 3.37Å; E31-K114 PolarHBondContact OE2-N 3.31Å; E31-K114 IonicContact OE2-NZ 3.12Å; S92-K114 PolarHBondContact O-N 3.41Å; K114-S143 VanDerWaalsContact O-CB 3.31Å; K114-S143 WeakPolarHBondContact O-CB 3.38Å; K114-S143 PolarHBondContact O-N 2.67Å; K114-N147 VanDerWaalsContact CB-OD1 3.23Å; K114-N147 WeakPolarHBondContact CB-OD1 3.49Å
115Y96.7Very high95.5Very high21 Ų2126.8 Ų26.88%0.08214%0.141CC..EExtended strand (participates in β ladder)trans-110.3152.4-176.4-62-66.7000113.4E31 L32 L35 S92 T93 C94 G113 I140 L141 V165E31-Y115 HydrophobicContact CB-CE2 3.9Å; L32-Y115 HydrophobicContact CB-CE2 4.05Å; L32-Y115 HydrophobicContact CD1-CE2 4.42Å; L35-Y115 HydrophobicContact CD2-CD2 3.8Å; L35-Y115 HydrophobicContact CD2-CG 3.91Å; S92-Y115 WeakPolarHBondContact O-CB 3.29Å; S92-Y115 WeakPolarHBondContact O-CD2 3.39Å; S92-Y115 PolarHBondContact O-N 3Å; T93-Y115 CarbonylContact C-O 3.42Å; T93-Y115 WeakPolarHBondContact CA-O 3.45Å; C94-Y115 PolarHBondContact N-O 2.81Å; C94-Y115 PolarHBondContact SG-O 3.21Å; G113-Y115 PolarHBondContact O-N 3.09Å; Y115-I140 HydrophobicContact CD1-CG2 3.72Å; Y115-I140 HydrophobicContact CE1-CG2 4.48Å; Y115-I140 HydrophobicContact CG-CG2 3.94Å; Y115-L141 WeakPolarHBondContact CA-O 3.49Å; Y115-V165 HydrophobicContact CD1-CG2 4Å; Y115-V165 HydrophobicContact CE1-CG2 3.75Å
116I97.8Very high95Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-111.5137166.2-54.6162.2000106.3L95 I140 L141 I156 A157L95-I116 HydrophobicContact CB-CG1 4.21Å; L95-I116 HydrophobicContact CB-CG2 4.15Å; L95-I116 HydrophobicContact CD2-CG2 4.33Å; L95-I116 VanDerWaalsContact O-CA 3.31Å; L95-I116 WeakPolarHBondContact O-CA 3.46Å; I116-I140 WeakPolarHBondContact O-CA 3.36Å; I116-L141 HydrophobicContact CB-CB 4.19Å; I116-L141 PolarHBondContact N-O 3.4Å; I116-L141 PolarHBondContact O-N 2.86Å; I116-I156 HydrophobicContact CD1-CB 4.22Å; I116-I156 HydrophobicContact CD1-CD1 3.64Å; I116-I156 HydrophobicContact CD1-CG1 3.63Å; I116-I156 VanDerWaalsContact CD1-O 3.23Å; I116-I156 WeakPolarHBondContact CD1-O 3.14Å; I116-I156 HydrophobicContact CG1-CD1 4Å; I116-I156 HydrophobicContact CG1-CG1 4.36Å; I116-A157 HydrophobicContact CG2-CB 3.96Å
117V98.6Very high94.8Very high0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-119.8118.4177.5-175.50000109.5L35 L87 T93 L95 L96 I97 F119 L139 I140L35-V117 HydrophobicContact CD1-CG2 4.09Å; L35-V117 HydrophobicContact CD2-CG2 4.05Å; L87-V117 HydrophobicContact CD1-CB 4.13Å; L87-V117 HydrophobicContact CD1-CG1 3.81Å; L87-V117 HydrophobicContact CD2-CG1 4.36Å; L87-V117 HydrophobicContact CD2-CG2 4.24Å; T93-V117 HydrophobicContact CG2-CG2 3.61Å; L95-V117 PolarHBondContact O-N 2.92Å; L95-V117 VanDerWaalsContact O-N 3.09Å; L96-V117 CarbonylContact C-O 3.55Å; L96-V117 WeakPolarHBondContact CA-O 3.25Å; L96-V117 HydrophobicContact CD2-CB 4.06Å; L96-V117 HydrophobicContact CD2-CG2 4.42Å; I97-V117 PolarHBondContact N-O 3.07Å; V117-F119 HydrophobicContact CG1-CB 4.45Å; V117-F119 HydrophobicContact CG1-CD1 4.14Å; V117-L139 WeakPolarHBondContact CA-O 3.44Å; V117-I140 HydrophobicContact CG2-CG1 4.46Å
118C98.7Very high94.3Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-100.9127.6169.6-50.50000107.9I97 F138 L139 L282I97-C118 HydrophobicContact CB-CB 4.18Å; I97-C118 CarbonylContact O-C 3.6Å; I97-C118 VanDerWaalsContact O-CA 3.28Å; I97-C118 WeakPolarHBondContact O-CA 3.19Å; C118-F138 CarbonylContact O-C 3.4Å; C118-F138 WeakPolarHBondContact O-CA 3.33Å; C118-L139 HydrophobicContact CB-CB 4.26Å; C118-L139 PolarHBondContact N-O 3.1Å; C118-L139 PolarHBondContact O-N 2.83Å; C118-L282 HydrophobicContact CB-CB 4.12Å
119F98.7Very high93.9Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-146.4148.1-174.464.6-79.3000113F83 I84 L87 L96 I97 S98 E99 V117 P121 I137 F138 Y283F83-F119 HydrophobicContact CB-CD2 3.94Å; F83-F119 HydrophobicContact CB-CE2 3.56Å; F83-F119 HydrophobicContact CB-CZ 4.13Å; F83-F119 AromaticContact CD1-CD2 3.95Å; F83-F119 HydrophobicContact CD1-CD2 3.95Å; F83-F119 HydrophobicContact CD1-CE2 4.44Å; F83-F119 HydrophobicContact CD1-CG 4.3Å; F83-F119 HydrophobicContact CG-CD2 4.03Å; F83-F119 HydrophobicContact CG-CE2 4.16Å; I84-F119 HydrophobicContact CG1-CZ 3.95Å; L87-F119 HydrophobicContact CD1-CD1 4.08Å; L87-F119 HydrophobicContact CD1-CE1 4.07Å; L96-F119 HydrophobicContact CB-CE1 4.08Å; I97-F119 VanDerWaalsContact O-CD1 3.3Å; I97-F119 WeakPolarHBondContact O-CD1 3.24Å; I97-F119 PolarHBondContact O-N 3.09Å; S98-F119 WeakPolarHBondContact CA-O 3.37Å; S98-F119 VanDerWaalsContact CB-CZ 3.47Å; S98-F119 WeakPolarHBondContact OG-CE2 3.31Å; E99-F119 PolarHBondContact N-O 2.96Å; E99-F119 VanDerWaalsContact N-O 3.15Å; V117-F119 HydrophobicContact CG1-CB 4.45Å; V117-F119 HydrophobicContact CG1-CD1 4.14Å; F119-P121 HydrophobicContact CD2-CB 4.09Å; F119-P121 HydrophobicContact CD2-CG 4.42Å; F119-P121 HydrophobicContact CE2-CB 4.09Å; F119-P121 HydrophobicContact CE2-CG 4.31Å; F119-I137 CarbonylContact C-O 3.42Å; F119-I137 WeakPolarHBondContact CA-O 3.33Å; F119-I137 VanDerWaalsContact CB-O 3.26Å; F119-I137 WeakPolarHBondContact CB-O 3.37Å; F119-F138 HydrophobicContact CB-CB 4.22Å; F119-Y283 VanDerWaalsContact C-CB 3.49Å
120D98.2Very high93.8Very high1 Ų126.3 Ų26.31%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-102.4111.1161.1172.7-7.5000105.9L122 D123 S136 I137 Y283D120-L122 VanDerWaalsContact C-N 3.26Å; D120-L122 PolarHBondContact O-N 3.34Å; D120-L122 PolarHBondContact OD1-N 3.03Å; D120-D123 PolarHBondContact OD1-N 2.97Å; D120-D123 VanDerWaalsContact OD1-N 3.13Å; D120-D123 WeakPolarHBondContact OD2-CA 3.47Å; D120-D123 VanDerWaalsContact OD2-CB 3.26Å; D120-D123 WeakPolarHBondContact OD2-CB 3.27Å; D120-D123 PolarHBondContact OD2-N 2.89Å; D120-S136 CarbonylContact O-C 3.36Å; D120-S136 VanDerWaalsContact O-CA 3.32Å; D120-S136 WeakPolarHBondContact O-CA 3.22Å; D120-I137 HydrophobicContact CB-CB 4.11Å; D120-I137 HydrophobicContact CB-CD1 4.38Å; D120-I137 HydrophobicContact CB-CG1 4.3Å; D120-I137 PolarHBondContact N-O 2.91Å; D120-I137 PolarHBondContact O-N 2.78Å; D120-Y283 HydrophobicContact CB-CD2 4.29Å
121P97.5Very high93.7Very high0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-68.3-26.7-177.728.2-32.8000112.5N80 F83 E100 F119 S136N80-P121 HydrophobicContact CB-CB 4.3Å; N80-P121 HydrophobicContact CB-CG 4.02Å; F83-P121 HydrophobicContact CD2-CB 4.28Å; E100-P121 HydrophobicContact CG-CG 3.63Å; F119-P121 HydrophobicContact CD2-CB 4.09Å; F119-P121 HydrophobicContact CD2-CG 4.42Å; F119-P121 HydrophobicContact CE2-CB 4.09Å; F119-P121 HydrophobicContact CE2-CG 4.31Å; P121-S136 WeakPolarHBondContact O-CB 3.35Å; P121-S136 PolarHBondContact O-OG 2.92Å
122L96.3Very high93.7Very high3 Ų326.2 Ų26.22%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-153.378.5-177.3-156.365.1000114.4V46 V50 L75 D76 D120 I128 I134 G135 Y172V46-L122 HydrophobicContact CG1-CD1 4.07Å; V50-L122 HydrophobicContact CG2-CD1 4.35Å; L75-L122 HydrophobicContact CB-CD2 3.77Å; L75-L122 HydrophobicContact CD2-CD2 3.84Å; L75-L122 HydrophobicContact CG-CD2 3.59Å; D76-L122 WeakPolarHBondContact OD1-CD2 3Å; D120-L122 VanDerWaalsContact C-N 3.26Å; D120-L122 PolarHBondContact O-N 3.34Å; D120-L122 PolarHBondContact OD1-N 3.03Å; L122-I128 HydrophobicContact CD2-CD1 3.55Å; L122-I128 HydrophobicContact CD2-CG1 4.44Å; L122-I128 HydrophobicContact CG-CD1 4.44Å; L122-I134 HydrophobicContact CD1-CD1 3.92Å; L122-I134 HydrophobicContact CD1-CG1 4.45Å; L122-I134 HydrophobicContact CD2-CD1 4.48Å; L122-I134 HydrophobicContact CG-CD1 4.36Å; L122-G135 CarbonylContact C-O 3.17Å; L122-G135 WeakPolarHBondContact CA-O 3.39Å; L122-Y172 HydrophobicContact CD1-CD2 4.22Å; L122-Y172 HydrophobicContact CD1-CE2 4.01Å
123D95.6Very high93.8Very high11 Ų1127.9 Ų27.96%0.05918%0.177CC..EExtended strand (participates in β ladder)trans-62.3138.3173.4168.363.7000111.6D120 I134 G135 I137 S251 M252 V253D120-D123 PolarHBondContact OD1-N 2.97Å; D120-D123 VanDerWaalsContact OD1-N 3.13Å; D120-D123 WeakPolarHBondContact OD2-CA 3.47Å; D120-D123 VanDerWaalsContact OD2-CB 3.26Å; D120-D123 WeakPolarHBondContact OD2-CB 3.27Å; D120-D123 PolarHBondContact OD2-N 2.89Å; D123-I134 WeakPolarHBondContact O-CA 3.23Å; D123-I134 VanDerWaalsContact O-CB 3.26Å; D123-I134 WeakPolarHBondContact O-CB 3.33Å; D123-G135 PolarHBondContact N-O 2.84Å; D123-G135 PolarHBondContact O-N 2.83Å; D123-I137 HydrophobicContact CB-CD1 3.95Å; D123-I137 HydrophobicContact CB-CG1 4.18Å; D123-S251 PolarHBondContact OD2-OG 3.35Å; D123-M252 WeakPolarHBondContact OD1-CB 3.47Å; D123-M252 PolarHBondContact OD1-N 2.84Å; D123-M252 PolarHBondContact OD2-N 2.98Å; D123-V253 HydrophobicContact CB-CG2 3.7Å; D123-V253 WeakPolarHBondContact OD2-CB 3.39Å; D123-V253 VanDerWaalsContact OD2-CG2 3.28Å; D123-V253 WeakPolarHBondContact OD2-CG2 3.38Å; D123-V253 PolarHBondContact OD2-N 2.7Å
124G91.5Very high93.9Very high10 Ų1027.3 Ų27.310%0.10317%0.17CC..THydrogen-bonded Turntrans79.630.5176.100000112.8S126 N127 I134G124-S126 PolarHBondContact O-N 3.4Å; G124-N127 WeakPolarHBondContact O-CA 3.23Å; G124-N127 WeakPolarHBondContact O-CB 3.43Å; G124-N127 PolarHBondContact O-N 2.98Å; G124-I134 WeakPolarHBondContact O-CG2 3.43Å
125S83.7Confident94.1Very high32 Ų3226.8 Ų26.822%0.22417%0.168CC..G310 helixtrans-48.7-33179.3670000113.5K73 D76 N127 I128K73-S125 WeakPolarHBondContact CD-O 3.31Å; K73-S125 VanDerWaalsContact CE-O 3.29Å; K73-S125 WeakPolarHBondContact CE-O 3.44Å; K73-S125 PolarHBondContact NZ-O 2.87Å; D76-S125 WeakPolarHBondContact OD1-CB 3.5Å; S125-N127 PolarHBondContact O-N 3.28Å; S125-N127 VanDerWaalsContact O-N 3.16Å; S125-I128 WeakPolarHBondContact O-CB 3.44Å; S125-I128 WeakPolarHBondContact O-CD1 3.4Å; S125-I128 VanDerWaalsContact O-CG1 3.25Å; S125-I128 WeakPolarHBondContact O-CG1 3.28Å; S125-I128 PolarHBondContact O-N 2.97Å; S125-I128 VanDerWaalsContact O-N 3.14Å
126S86.8Confident94.2Very high81 Ų8125.8 Ų25.857%0.56616%0.164SC*.G310 helixtrans-57.5-25.7173.561.30000114.4G124G124-S126 PolarHBondContact O-N 3.4Å
127N91.4Very high94.2Very high23 Ų2325.8 Ų25.812%0.12316%0.164CC..G310 helixtrans-90.4-4-179.5-76.8-23.8000114.2G124 S125 D129 C130 L131 G132 I134 C249 S251G124-N127 WeakPolarHBondContact O-CA 3.23Å; G124-N127 WeakPolarHBondContact O-CB 3.43Å; G124-N127 PolarHBondContact O-N 2.98Å; S125-N127 PolarHBondContact O-N 3.28Å; S125-N127 VanDerWaalsContact O-N 3.16Å; N127-D129 PolarHBondContact O-N 3.16Å; N127-C130 PolarHBondContact O-N 3.4Å; N127-C130 PolarHBondContact O-SG 3.41Å; N127-L131 PolarHBondContact O-N 3.49Å; N127-G132 PolarHBondContact O-N 2.86Å; N127-I134 HydrophobicContact CB-CG2 3.91Å; N127-C249 PolarHBondContact ND2-O 2.92Å; N127-S251 PolarHBondContact ND2-N 2.6Å
128I87.3Confident94.2Very high6 Ų625.8 Ų25.83%0.03116%0.164CC..THydrogen-bonded Turntrans-59.2-51.6-176.7-67.7171.2000111.4Y59 K73 L75 L122 S125 C130 L131 I134Y59-I128 HydrophobicContact CD1-CG2 3.74Å; Y59-I128 HydrophobicContact CE1-CG2 3.82Å; K73-I128 HydrophobicContact CD-CB 4.47Å; K73-I128 HydrophobicContact CD-CD1 3.8Å; L75-I128 HydrophobicContact CB-CD1 4.17Å; L75-I128 HydrophobicContact CD2-CD1 4.08Å; L75-I128 HydrophobicContact CD2-CG1 4.39Å; L75-I128 HydrophobicContact CD2-CG2 4.07Å; L122-I128 HydrophobicContact CD2-CD1 3.55Å; L122-I128 HydrophobicContact CD2-CG1 4.44Å; L122-I128 HydrophobicContact CG-CD1 4.44Å; S125-I128 WeakPolarHBondContact O-CB 3.44Å; S125-I128 WeakPolarHBondContact O-CD1 3.4Å; S125-I128 VanDerWaalsContact O-CG1 3.25Å; S125-I128 WeakPolarHBondContact O-CG1 3.28Å; S125-I128 PolarHBondContact O-N 2.97Å; S125-I128 VanDerWaalsContact O-N 3.14Å; I128-C130 VanDerWaalsContact C-N 3.28Å; I128-C130 PolarHBondContact O-N 3.33Å; I128-L131 PolarHBondContact O-N 2.92Å; I128-L131 VanDerWaalsContact O-N 3.14Å; I128-I134 HydrophobicContact CG1-CD1 3.82Å; I128-I134 HydrophobicContact CG1-CG2 4.25Å
129D87.3Confident94.2Very high78 Ų7825.8 Ų25.842%0.41716%0.164SC..THydrogen-bonded Turntrans-74-21.5-170.8-55.3-53.8000112.6K73 N127K73-D129 IonicContact NZ-OD2 3.6Å; K73-D129 PolarHBondContact NZ-OD2 3.43Å; N127-D129 PolarHBondContact O-N 3.16Å
130C91Very high94.2Very high88 Ų8825.8 Ų25.860%0.59516%0.164SC*.THydrogen-bonded Turntrans-93.67.3174.669.10000113.5N127 I128 G132N127-C130 PolarHBondContact O-N 3.4Å; N127-C130 PolarHBondContact O-SG 3.41Å; I128-C130 VanDerWaalsContact C-N 3.28Å; I128-C130 PolarHBondContact O-N 3.33Å; C130-G132 PolarHBondContact O-N 2.92Å
131L92.5Very high94.2Very high134 Ų13425.8 Ų25.870%0.70216%0.164SC*.THydrogen-bonded Turntrans54.531.4-175.9-68.277.4000112.6N127 I128N127-L131 PolarHBondContact O-N 3.49Å; I128-L131 PolarHBondContact O-N 2.92Å; I128-L131 VanDerWaalsContact O-N 3.14Å
132G94.2Very high94Very high27 Ų2732.1 Ų32.128%0.27819%0.188SC..  trans-69163.2169.200000110.9N127 C130N127-G132 PolarHBondContact O-N 2.86Å; C130-G132 PolarHBondContact O-N 2.92Å
133S96.6Very high93.9Very high43 Ų4332.5 Ų32.530%0.30119%0.19SC..  trans-68.3136.7173.6-61.80000110.6S251S133-S251 WeakPolarHBondContact O-CB 3.46Å; S133-S251 PolarHBondContact O-OG 3.39Å
134I97.1Very high93.8Very high4 Ų435.5 Ų35.52%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-133176.1178.458.1178.4000108.7V50 L75 L122 D123 G124 N127 I128 Y172V50-I134 HydrophobicContact CG1-CD1 3.8Å; V50-I134 HydrophobicContact CG1-CG1 4.25Å; V50-I134 HydrophobicContact CG2-CD1 3.95Å; L75-I134 HydrophobicContact CD2-CD1 4.47Å; L122-I134 HydrophobicContact CD1-CD1 3.92Å; L122-I134 HydrophobicContact CD1-CG1 4.45Å; L122-I134 HydrophobicContact CD2-CD1 4.48Å; L122-I134 HydrophobicContact CG-CD1 4.36Å; D123-I134 WeakPolarHBondContact O-CA 3.23Å; D123-I134 VanDerWaalsContact O-CB 3.26Å; D123-I134 WeakPolarHBondContact O-CB 3.33Å; G124-I134 WeakPolarHBondContact O-CG2 3.43Å; N127-I134 HydrophobicContact CB-CG2 3.91Å; I128-I134 HydrophobicContact CG1-CD1 3.82Å; I128-I134 HydrophobicContact CG1-CG2 4.25Å; I134-Y172 HydrophobicContact CG1-CD2 4.07Å; I134-Y172 WeakPolarHBondContact O-CA 3.46Å; I134-Y172 PolarHBondContact O-N 3.36Å
135G98.2Very high93.5Very high0 Ų037.5 Ų37.50%022%0.219CC..EExtended strand (participates in β ladder)trans-160-176-17800000114.8L122 D123 A170 Y172L122-G135 CarbonylContact C-O 3.17Å; L122-G135 WeakPolarHBondContact CA-O 3.39Å; D123-G135 PolarHBondContact N-O 2.84Å; D123-G135 PolarHBondContact O-N 2.83Å; G135-A170 CarbonylContact C-O 3.48Å; G135-A170 WeakPolarHBondContact CA-O 3.22Å; G135-Y172 VanDerWaalsContact C-CE2 3.42Å; G135-Y172 VanDerWaalsContact CA-CD2 3.47Å
136S98.7Very high93.1Very high0 Ų042.4 Ų42.40%024%0.243CC..EExtended strand (participates in β ladder)trans-128.2147.6165.4-52.90000108.2D120 P121 Y169 A170 Y172D120-S136 CarbonylContact O-C 3.36Å; D120-S136 VanDerWaalsContact O-CA 3.32Å; D120-S136 WeakPolarHBondContact O-CA 3.22Å; P121-S136 WeakPolarHBondContact O-CB 3.35Å; P121-S136 PolarHBondContact O-OG 2.92Å; S136-Y169 CarbonylContact O-C 3.53Å; S136-Y169 WeakPolarHBondContact O-CA 2.92Å; S136-Y169 WeakPolarHBondContact O-CB 3.32Å; S136-A170 PolarHBondContact N-O 3.45Å; S136-A170 PolarHBondContact O-N 3.24Å; S136-Y172 VanDerWaalsContact OG-CE2 3.32Å; S136-Y172 WeakPolarHBondContact OG-CE2 3.29Å; S136-Y172 PolarHBondContact OG-OH 3.37Å
137I98.8Very high92.6Very high0 Ų043.4 Ų43.40%024%0.242CC..EExtended strand (participates in β ladder)trans-126.1142.3-176.4-45.4174.8000108.8F119 D120 D123 M252 V253 Y283 E284 P287 M288F119-I137 CarbonylContact C-O 3.42Å; F119-I137 WeakPolarHBondContact CA-O 3.33Å; F119-I137 VanDerWaalsContact CB-O 3.26Å; F119-I137 WeakPolarHBondContact CB-O 3.37Å; D120-I137 HydrophobicContact CB-CB 4.11Å; D120-I137 HydrophobicContact CB-CD1 4.38Å; D120-I137 HydrophobicContact CB-CG1 4.3Å; D120-I137 PolarHBondContact N-O 2.91Å; D120-I137 PolarHBondContact O-N 2.78Å; D123-I137 HydrophobicContact CB-CD1 3.95Å; D123-I137 HydrophobicContact CB-CG1 4.18Å; I137-M252 HydrophobicContact CD1-SD 4.29Å; I137-V253 HydrophobicContact CD1-CG2 3.82Å; I137-V253 HydrophobicContact CG1-CG2 3.51Å; I137-Y283 WeakPolarHBondContact CB-O 3.41Å; I137-Y283 WeakPolarHBondContact CG2-O 3.33Å; I137-E284 HydrophobicContact CD1-CB 4.5Å; I137-E284 HydrophobicContact CD1-CG 4.28Å; I137-P287 HydrophobicContact CG2-CB 3.7Å; I137-P287 HydrophobicContact CG2-CG 3.32Å; I137-M288 HydrophobicContact CD1-CE 3.65Å; I137-M288 HydrophobicContact CG1-CE 3.8Å; I137-M288 HydrophobicContact CG2-CE 4.08Å
138F98.8Very high92.1Very high1 Ų149.4 Ų49.40%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-145.5146.3176.663.5-87.4000113.2M36 L39 I43 C118 F119 I140 A167 G168 L178 L180 P287M36-F138 HydrophobicContact CE-CE2 4.44Å; M36-F138 HydrophobicContact CE-CZ 4.35Å; L39-F138 HydrophobicContact CD1-CD2 4.06Å; L39-F138 HydrophobicContact CD1-CE2 4.19Å; L39-F138 HydrophobicContact CD2-CB 4.42Å; L39-F138 HydrophobicContact CD2-CG 4.29Å; I43-F138 HydrophobicContact CD1-CE1 4.37Å; C118-F138 CarbonylContact O-C 3.4Å; C118-F138 WeakPolarHBondContact O-CA 3.33Å; F119-F138 HydrophobicContact CB-CB 4.22Å; F138-I140 HydrophobicContact CD2-CD1 4.3Å; F138-I140 HydrophobicContact CD2-CG1 4.21Å; F138-I140 HydrophobicContact CE2-CD1 4.4Å; F138-A167 WeakPolarHBondContact O-CA 3.38Å; F138-G168 WeakPolarHBondContact CD1-O 3.27Å; F138-G168 VanDerWaalsContact CZ-CA 3.46Å; F138-G168 PolarHBondContact N-O 3.21Å; F138-G168 PolarHBondContact O-N 3.24Å; F138-L178 HydrophobicContact CE1-CD1 3.74Å; F138-L178 HydrophobicContact CZ-CD1 4.06Å; F138-L180 HydrophobicContact CZ-CB 4.36Å; F138-P287 WeakPolarHBondContact O-CB 3.47Å
139L98.7Very high92Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-126.8130.4172.6-17374.1000108.6V117 C118 L141 A164 A167 L282 N286 P287V117-L139 WeakPolarHBondContact CA-O 3.44Å; C118-L139 HydrophobicContact CB-CB 4.26Å; C118-L139 PolarHBondContact N-O 3.1Å; C118-L139 PolarHBondContact O-N 2.83Å; L139-L141 HydrophobicContact CD2-CD2 4.1Å; L139-L141 HydrophobicContact CD2-CG 4.25Å; L139-L141 HydrophobicContact CG-CD2 4.48Å; L139-A164 HydrophobicContact CD1-CB 3.4Å; L139-A164 VanDerWaalsContact CD1-CB 3.4Å; L139-A164 HydrophobicContact CG-CB 4Å; L139-A167 HydrophobicContact CD1-CB 3.92Å; L139-L282 WeakPolarHBondContact CD2-O 3.28Å; L139-N286 HydrophobicContact CD1-CB 4.35Å; L139-N286 HydrophobicContact CD2-CB 3.78Å; L139-P287 HydrophobicContact CB-CB 4.18Å; L139-P287 HydrophobicContact CB-CG 4.38Å; L139-P287 HydrophobicContact CD1-CB 4.25Å
140I98.4Very high92Very high0 Ų052.5 Ų52.50%029%0.285CS..EExtended strand (participates in β ladder)trans-111.3114.3178.2-55175.1000108.5L32 L35 M36 L39 Y115 I116 V117 F138 A164 V165 A166L32-I140 HydrophobicContact CD1-CD1 4.01Å; L32-I140 HydrophobicContact CD1-CG2 4.35Å; L35-I140 HydrophobicContact CD2-CD1 3.82Å; L35-I140 HydrophobicContact CD2-CG1 4.28Å; L35-I140 HydrophobicContact CD2-CG2 3.76Å; L35-I140 HydrophobicContact CG-CD1 4.25Å; M36-I140 HydrophobicContact SD-CD1 3.87Å; L39-I140 HydrophobicContact CD1-CD1 3.75Å; Y115-I140 HydrophobicContact CD1-CG2 3.72Å; Y115-I140 HydrophobicContact CE1-CG2 4.48Å; Y115-I140 HydrophobicContact CG-CG2 3.94Å; I116-I140 WeakPolarHBondContact O-CA 3.36Å; V117-I140 HydrophobicContact CG2-CG1 4.46Å; F138-I140 HydrophobicContact CD2-CD1 4.3Å; F138-I140 HydrophobicContact CD2-CG1 4.21Å; F138-I140 HydrophobicContact CE2-CD1 4.4Å; I140-A164 CarbonylContact O-C 3.37Å; I140-A164 VanDerWaalsContact O-CA 3.32Å; I140-A164 WeakPolarHBondContact O-CA 3.32Å; I140-V165 HydrophobicContact CB-CG2 4.09Å; I140-V165 HydrophobicContact CG2-CG2 3.64Å; I140-V165 WeakPolarHBondContact O-CG2 3.29Å; I140-V165 PolarHBondContact O-N 3.39Å; I140-A166 HydrophobicContact CB-CB 4.23Å; I140-A166 HydrophobicContact CD1-CB 4.02Å; I140-A166 HydrophobicContact CG1-CB 4.44Å; I140-A166 PolarHBondContact N-O 3.42Å
141L97.3Very high91.8Very high0 Ų054.9 Ų54.90%030%0.296CS..EExtended strand (participates in β ladder)trans-101.7154.2174.5-58.3165.6000109.8Y115 I116 L139 Q159 Q163 A164Y115-L141 WeakPolarHBondContact CA-O 3.49Å; I116-L141 HydrophobicContact CB-CB 4.19Å; I116-L141 PolarHBondContact N-O 3.4Å; I116-L141 PolarHBondContact O-N 2.86Å; L139-L141 HydrophobicContact CD2-CD2 4.1Å; L139-L141 HydrophobicContact CD2-CG 4.25Å; L139-L141 HydrophobicContact CG-CD2 4.48Å; L141-Q159 HydrophobicContact CD1-CB 4.2Å; L141-Q159 HydrophobicContact CD2-CB 4.27Å; L141-Q163 HydrophobicContact CD2-CB 4.26Å; L141-A164 HydrophobicContact CD2-CB 4.06Å
142R94.3Very high91.6Very high134 Ų13449 Ų4951%0.50627%0.266SS..EExtended strand (participates in β ladder)trans-83.2136.9168.7-161.5169.6-159.81782.7109.9Q159 V165R142-Q159 PolarHBondContact O-NE2 3.19Å; R142-V165 HydrophobicContact CB-CG1 4.22Å
143S94.4Very high91.6Very high10 Ų1050.4 Ų50.47%0.0727%0.272CS..PPolyproline II helixtrans-68.5131.9171.6-179.60000110.3K114 L145K114-S143 VanDerWaalsContact O-CB 3.31Å; K114-S143 WeakPolarHBondContact O-CB 3.38Å; K114-S143 PolarHBondContact O-N 2.67Å; S143-L145 PolarHBondContact O-N 3.11Å; S143-L145 WeakPolarHBondContact OG-CB 3.47Å; S143-L145 PolarHBondContact OG-N 3.31Å
144P92.4Very high91.4Very high74 Ų7452.1 Ų52.148%0.48128%0.275SS..THydrogen-bonded Turntrans-71.5-6.4173.531.6-35000112.8N146 I156P144-N146 PolarHBondContact O-N 3.06Å; P144-I156 HydrophobicContact CG-CB 3.8Å; P144-I156 HydrophobicContact CG-CG2 3.87Å
145L85.2Confident91.3Very high52 Ų5258.8 Ų58.827%0.27230%0.304SS..THydrogen-bonded Turntrans-75.46.1-178.1-59177.2000114.2S143 N147 E148 V152 I156S143-L145 PolarHBondContact O-N 3.11Å; S143-L145 WeakPolarHBondContact OG-CB 3.47Å; S143-L145 PolarHBondContact OG-N 3.31Å; L145-N147 PolarHBondContact O-N 2.79Å; L145-E148 VanDerWaalsContact O-CB 3.27Å; L145-E148 WeakPolarHBondContact O-CB 3.29Å; L145-E148 WeakPolarHBondContact O-CG 3.42Å; L145-E148 PolarHBondContact O-N 2.98Å; L145-V152 HydrophobicContact CD1-CG1 4.29Å; L145-V152 HydrophobicContact CD1-CG2 4.03Å; L145-I156 HydrophobicContact CD1-CD1 4.12Å; L145-I156 HydrophobicContact CG-CD1 4.4Å
146N75.9Confident91.2Very high136 Ų13659.8 Ų59.873%0.72731%0.309SS*.THydrogen-bonded Turntrans49.238.2174.6-67.9-33000115.5P144 E148P144-N146 PolarHBondContact O-N 3.06Å; N146-E148 VanDerWaalsContact C-N 3.29Å; N146-E148 PolarHBondContact O-N 3.47Å
147N75.4Confident91.1Very high102 Ų10259.8 Ų59.855%0.54531%0.309SS..THydrogen-bonded Turntrans71.78.7-175.9-39.4-56.1000115.8K114 L145 K149K114-N147 VanDerWaalsContact CB-OD1 3.23Å; K114-N147 WeakPolarHBondContact CB-OD1 3.49Å; L145-N147 PolarHBondContact O-N 2.79Å; N147-K149 PolarHBondContact O-N 2.86Å
148E82Confident91Very high149 Ų14961.3 Ų61.370%0.69632%0.317SS*.  trans-65.9127.1168.2-65.9-177.4179.400109.8L145 N146L145-E148 VanDerWaalsContact O-CB 3.27Å; L145-E148 WeakPolarHBondContact O-CB 3.29Å; L145-E148 WeakPolarHBondContact O-CG 3.42Å; L145-E148 PolarHBondContact O-N 2.98Å; N146-E148 VanDerWaalsContact C-N 3.29Å; N146-E148 PolarHBondContact O-N 3.47Å
149K84Confident91Very high125 Ų12562.6 Ų62.654%0.54332%0.323SS..  trans-92.3142174.4-64.6-172.7169.7-150.60109.5L109 Q112 N147L109-K149 PolarHBondContact O-NZ 3.25Å; Q112-K149 HydrophobicContact CB-CD 4.42Å; Q112-K149 HydrophobicContact CB-CG 4.24Å; Q112-K149 WeakPolarHBondContact O-CE 3.38Å; Q112-K149 PolarHBondContact O-NZ 2.89Å; Q112-K149 VanDerWaalsContact O-NZ 3.08Å; N147-K149 PolarHBondContact O-N 2.86Å
150G87.3Confident90.9Very high24 Ų2464 Ų6425%0.24733%0.332CS..SBendtrans161.9-163.4-178.100000112.5L109 Q112 V152L109-G150 VanDerWaalsContact CD2-CA 3.5Å; Q112-G150 PolarHBondContact NE2-O 3.41Å; Q112-G150 PolarHBondContact OE1-O 3.16Å; G150-V152 WeakPolarHBondContact O-CG2 3.36Å; G150-V152 PolarHBondContact O-N 2.78Å
151V86.9Confident90.9Very high137 Ų13764 Ų6483%0.8333%0.332SS*.  trans-67.3123.5175.2178.60000109.5E106E106-V151 VanDerWaalsContact OE1-CA 3.25Å; E106-V151 WeakPolarHBondContact OE1-CA 3.03Å
152V90.1Very high90.9Very high10 Ų1069.8 Ų69.86%0.06135%0.354CS..  trans-104.8118.8-175.5-176.20000111.4C94 L95 E106 L145 G150 I156C94-V152 HydrophobicContact CB-CG2 4.25Å; L95-V152 HydrophobicContact CB-CG1 4.14Å; L95-V152 HydrophobicContact CD1-CG1 4.11Å; L95-V152 HydrophobicContact CD2-CG1 4.3Å; L95-V152 HydrophobicContact CG-CG1 4.43Å; E106-V152 HydrophobicContact CG-CB 4.38Å; E106-V152 PolarHBondContact OE1-N 3.49Å; L145-V152 HydrophobicContact CD1-CG1 4.29Å; L145-V152 HydrophobicContact CD1-CG2 4.03Å; G150-V152 WeakPolarHBondContact O-CG2 3.36Å; G150-V152 PolarHBondContact O-N 2.78Å; V152-I156 HydrophobicContact CG1-CD1 3.29Å; V152-I156 HydrophobicContact CG1-CG1 3.77Å
153S93Very high91Very high57 Ų5768.5 Ų68.540%0.39935%0.353SS..  trans-75.7133.9172.8-178.30000111.3K155 I156S153-K155 PolarHBondContact O-N 2.8Å; S153-K155 PolarHBondContact OG-N 2.67Å; S153-I156 WeakPolarHBondContact O-CG1 3.26Å; S153-I156 PolarHBondContact O-N 3.34Å
154H92.1Very high91.2Very high79 Ų7968.8 Ų68.837%0.36636%0.357SS..G310 helixtrans-53.4-24.4174.266.4-101.2000113.7A104 I156 A157A104-H154 HydrophobicContact CB-CB 3.57Å; H154-I156 PolarHBondContact O-N 3.49Å; H154-I156 VanDerWaalsContact O-N 3.09Å; H154-A157 WeakPolarHBondContact O-CB 3.3Å; H154-A157 PolarHBondContact O-N 3.02Å
155K95.4Very high91.4Very high144 Ų14467.6 Ų67.663%0.62635%0.348SS*.G310 helixtrans-57.2-25.1178.3-66.8-176.8178.21800113.1S153 A157 L158S153-K155 PolarHBondContact O-N 2.8Å; S153-K155 PolarHBondContact OG-N 2.67Å; K155-A157 PolarHBondContact O-N 2.64Å; K155-L158 WeakPolarHBondContact O-CB 3.29Å; K155-L158 PolarHBondContact O-N 2.92Å; K155-L158 VanDerWaalsContact O-N 3.1Å
156I95.4Very high91.9Very high22 Ų2265.1 Ų65.111%0.11334%0.335CS..G310 helixtrans-68.4-19.2177.274.2160.2000113L95 I116 P144 L145 V152 S153 H154 L158 Q159L95-I156 HydrophobicContact CD2-CD1 4.45Å; L95-I156 HydrophobicContact CD2-CG1 3.81Å; I116-I156 HydrophobicContact CD1-CB 4.22Å; I116-I156 HydrophobicContact CD1-CD1 3.64Å; I116-I156 HydrophobicContact CD1-CG1 3.63Å; I116-I156 VanDerWaalsContact CD1-O 3.23Å; I116-I156 WeakPolarHBondContact CD1-O 3.14Å; I116-I156 HydrophobicContact CG1-CD1 4Å; I116-I156 HydrophobicContact CG1-CG1 4.36Å; P144-I156 HydrophobicContact CG-CB 3.8Å; P144-I156 HydrophobicContact CG-CG2 3.87Å; L145-I156 HydrophobicContact CD1-CD1 4.12Å; L145-I156 HydrophobicContact CG-CD1 4.4Å; V152-I156 HydrophobicContact CG1-CD1 3.29Å; V152-I156 HydrophobicContact CG1-CG1 3.77Å; S153-I156 WeakPolarHBondContact O-CG1 3.26Å; S153-I156 PolarHBondContact O-N 3.34Å; H154-I156 PolarHBondContact O-N 3.49Å; H154-I156 VanDerWaalsContact O-N 3.09Å; I156-L158 VanDerWaalsContact C-N 3.33Å; I156-Q159 WeakPolarHBondContact O-CG 3.36Å; I156-Q159 PolarHBondContact O-NE2 3.22Å
157A96.8Very high93Very high0 Ų058.7 Ų58.70%030%0.3CS..G310 helixtrans-80.2-15.2173.400000112.9L95 I97 I116 H154 K155 Q159L95-A157 HydrophobicContact CD2-CB 3.86Å; I97-A157 HydrophobicContact CD1-CB 3.95Å; I97-A157 HydrophobicContact CG1-CB 3.79Å; I116-A157 HydrophobicContact CG2-CB 3.96Å; H154-A157 WeakPolarHBondContact O-CB 3.3Å; H154-A157 PolarHBondContact O-N 3.02Å; K155-A157 PolarHBondContact O-N 2.64Å; A157-Q159 PolarHBondContact O-N 2.94Å
158L97.8Very high94.1Very high31 Ų3153.8 Ų53.816%0.16227%0.274CS..  trans-79.561.9-178.9-56.6179.5000110.7K155 I156 Q310 P311 I314K155-L158 WeakPolarHBondContact O-CB 3.29Å; K155-L158 PolarHBondContact O-N 2.92Å; K155-L158 VanDerWaalsContact O-N 3.1Å; I156-L158 VanDerWaalsContact C-N 3.33Å; L158-Q310 PolarHBondContact O-NE2 3.11Å; L158-P311 VanDerWaalsContact C-CG 3.49Å; L158-P311 HydrophobicContact CB-CG 4.08Å; L158-P311 HydrophobicContact CD2-CB 4.16Å; L158-P311 HydrophobicContact CD2-CG 4.39Å; L158-I314 HydrophobicContact CD2-CG2 3.88Å
159Q97.9Very high94.9Very high28 Ų2846.7 Ų46.713%0.13124%0.241CC..  trans-109146.5177.8-58.6-1784400110.1L141 R142 I156 A157 Q163 P311L141-Q159 HydrophobicContact CD1-CB 4.2Å; L141-Q159 HydrophobicContact CD2-CB 4.27Å; R142-Q159 PolarHBondContact O-NE2 3.19Å; I156-Q159 WeakPolarHBondContact O-CG 3.36Å; I156-Q159 PolarHBondContact O-NE2 3.22Å; A157-Q159 PolarHBondContact O-N 2.94Å; Q159-Q163 HydrophobicContact CB-CB 4.08Å; Q159-Q163 HydrophobicContact CB-CG 4.19Å; Q159-Q163 VanDerWaalsContact OE1-CB 3.3Å; Q159-P311 WeakPolarHBondContact O-CG 3.42Å
160P98.1Very high95.6Very high29 Ų2940.8 Ų40.819%0.18822%0.215CC..  trans-63.3149.3171.626.3-30.6000110.1R162 Q163 L307P160-R162 PolarHBondContact O-N 2.79Å; P160-Q163 HydrophobicContact CG-CG 4.01Å; P160-Q163 WeakPolarHBondContact O-CB 3.45Å; P160-Q163 PolarHBondContact O-N 2.83Å; P160-L307 WeakPolarHBondContact CB-O 3.29Å
161G98.1Very high96.2Very high0 Ų040.5 Ų40.50%021%0.208CC..G310 helixtrans-56-24.8-176.400000114Q163 A164 L307G161-Q163 PolarHBondContact O-N 2.98Å; G161-Q163 VanDerWaalsContact O-N 3.17Å; G161-A164 VanDerWaalsContact O-CB 3.29Å; G161-A164 WeakPolarHBondContact O-CB 3.4Å; G161-A164 PolarHBondContact O-N 3.01Å; G161-A164 VanDerWaalsContact O-N 3.12Å; G161-L307 PolarHBondContact N-O 3.46Å
162R97.2Very high96.7Very high122 Ų12234.4 Ų34.446%0.4617%0.17SC..G310 helixtrans-61.4-17.2173.2-70.2-154.3-172.5-74.7-10.7114.9P160 A164 E293 L307 D308P160-R162 PolarHBondContact O-N 2.79Å; R162-A164 VanDerWaalsContact C-N 3.29Å; R162-E293 IonicContact NH1-OE2 3.43Å; R162-E293 PolarHBondContact NH1-OE2 3.28Å; R162-E293 IonicContact NH2-OE2 2.92Å; R162-L307 HydrophobicContact CG-CB 3.65Å; R162-L307 PolarHBondContact N-O 2.79Å; R162-L307 VanDerWaalsContact N-O 3.09Å; R162-D308 VanDerWaalsContact CD-OD1 3.28Å; R162-D308 WeakPolarHBondContact CD-OD1 3.11Å; R162-D308 IonicContact CZ-OD1 2.74Å; R162-D308 IonicContact CZ-OD2 2.63Å; R162-D308 IonicContact NE-OD1 3.55Å; R162-D308 PolarHBondContact NE-OD1 3.02Å; R162-D308 IonicContact NE-OD2 2.82Å; R162-D308 PolarHBondContact NE-OD2 3.2Å; R162-D308 IonicContact NH2-OD1 2.58Å; R162-D308 IonicContact NH2-OD2 3.73Å; R162-D308 PolarHBondContact NH2-OD2 3.3Å
163Q96.7Very high97Very high107 Ų10735 Ų3550%0.518%0.179SC..G310 helixtrans-84.3-2.7176.8-60.1-59-33.700113.4L141 Q159 P160 G161L141-Q163 HydrophobicContact CD2-CB 4.26Å; Q159-Q163 HydrophobicContact CB-CB 4.08Å; Q159-Q163 HydrophobicContact CB-CG 4.19Å; Q159-Q163 VanDerWaalsContact OE1-CB 3.3Å; P160-Q163 HydrophobicContact CG-CG 4.01Å; P160-Q163 WeakPolarHBondContact O-CB 3.45Å; P160-Q163 PolarHBondContact O-N 2.83Å; G161-Q163 PolarHBondContact O-N 2.98Å; G161-Q163 VanDerWaalsContact O-N 3.17Å
164A97.5Very high97.2Very high17 Ų1739 Ų3914%0.1421%0.207CC..EExtended strand (participates in β ladder)trans-68.3135.3178.500000111.9L139 I140 L141 G161 R162 L290L139-A164 HydrophobicContact CD1-CB 3.4Å; L139-A164 VanDerWaalsContact CD1-CB 3.4Å; L139-A164 HydrophobicContact CG-CB 4Å; I140-A164 CarbonylContact O-C 3.37Å; I140-A164 VanDerWaalsContact O-CA 3.32Å; I140-A164 WeakPolarHBondContact O-CA 3.32Å; L141-A164 HydrophobicContact CD2-CB 4.06Å; G161-A164 VanDerWaalsContact O-CB 3.29Å; G161-A164 WeakPolarHBondContact O-CB 3.4Å; G161-A164 PolarHBondContact O-N 3.01Å; G161-A164 VanDerWaalsContact O-N 3.12Å; R162-A164 VanDerWaalsContact C-N 3.29Å; A164-L290 HydrophobicContact CB-CD2 3.83Å
165V95.9Very high97.5Very high48 Ų4837.4 Ų37.429%0.29121%0.207SC..EExtended strand (participates in β ladder)trans-90.8-21.8175.5-64.30000112Y115 I140 R142Y115-V165 HydrophobicContact CD1-CG2 4Å; Y115-V165 HydrophobicContact CE1-CG2 3.75Å; I140-V165 HydrophobicContact CB-CG2 4.09Å; I140-V165 HydrophobicContact CG2-CG2 3.64Å; I140-V165 WeakPolarHBondContact O-CG2 3.29Å; I140-V165 PolarHBondContact O-N 3.39Å; R142-V165 HydrophobicContact CB-CG1 4.22Å
166A97.6Very high97.6Very high1 Ų130.6 Ų30.61%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-160154.4176.300000110.1I140 T181 V182I140-A166 HydrophobicContact CB-CB 4.23Å; I140-A166 HydrophobicContact CD1-CB 4.02Å; I140-A166 HydrophobicContact CG1-CB 4.44Å; I140-A166 PolarHBondContact N-O 3.42Å; A166-T181 WeakPolarHBondContact CA-O 3.39Å; A166-T181 WeakPolarHBondContact CB-O 3.22Å; A166-V182 HydrophobicContact CB-CG1 4.07Å
167A98.6Very high97.8Very high0 Ų030.2 Ų30.20%018%0.175CC..EExtended strand (participates in β ladder)trans-149.1162.9170.600000109.6F138 L139 L180 T181 P287 L290F138-A167 WeakPolarHBondContact O-CA 3.38Å; L139-A167 HydrophobicContact CD1-CB 3.92Å; A167-L180 CarbonylContact O-C 3.52Å; A167-L180 VanDerWaalsContact O-CA 3.26Å; A167-L180 WeakPolarHBondContact O-CA 3.47Å; A167-L180 WeakPolarHBondContact O-CB 3.42Å; A167-T181 HydrophobicContact CB-CG2 4.39Å; A167-T181 PolarHBondContact N-O 2.8Å; A167-T181 VanDerWaalsContact N-O 3.11Å; A167-T181 PolarHBondContact O-N 3.28Å; A167-P287 HydrophobicContact CB-CB 3.97Å; A167-L290 HydrophobicContact CB-CB 4.21Å; A167-L290 HydrophobicContact CB-CD2 3.65Å; A167-L290 HydrophobicContact CB-CG 4.41Å
168G98.7Very high97.9Very high0 Ų030.2 Ų30.20%018%0.176CC..EExtended strand (participates in β ladder)trans-177.9-178.217200000113F138 V179F138-G168 WeakPolarHBondContact CD1-O 3.27Å; F138-G168 VanDerWaalsContact CZ-CA 3.46Å; F138-G168 PolarHBondContact N-O 3.21Å; F138-G168 PolarHBondContact O-N 3.24Å; G168-V179 CarbonylContact C-O 3.54Å; G168-V179 WeakPolarHBondContact CA-O 3.43Å
169Y98.9Very high97.9Very high0 Ų028.8 Ų28.80%017%0.168CC..EExtended strand (participates in β ladder)trans-146.3148.717458.8-98.3000110.6S136 L178 V179 V253 H257 L260 M288 I291S136-Y169 CarbonylContact O-C 3.53Å; S136-Y169 WeakPolarHBondContact O-CA 2.92Å; S136-Y169 WeakPolarHBondContact O-CB 3.32Å; Y169-L178 WeakPolarHBondContact O-CA 3.27Å; Y169-L178 WeakPolarHBondContact O-CD1 3.49Å; Y169-V179 HydrophobicContact CD1-CB 4.41Å; Y169-V179 HydrophobicContact CD2-CB 4.18Å; Y169-V179 HydrophobicContact CD2-CG2 4.49Å; Y169-V179 HydrophobicContact CE1-CB 3.9Å; Y169-V179 HydrophobicContact CE1-CG1 3.98Å; Y169-V179 HydrophobicContact CE2-CB 3.64Å; Y169-V179 HydrophobicContact CE2-CG1 4.46Å; Y169-V179 HydrophobicContact CE2-CG2 3.66Å; Y169-V179 VanDerWaalsContact CZ-CB 3.48Å; Y169-V179 PolarHBondContact N-O 3.12Å; Y169-V179 PolarHBondContact O-N 3.36Å; Y169-V253 HydrophobicContact CD2-CG1 3.61Å; Y169-V253 HydrophobicContact CE2-CG1 4.25Å; Y169-V253 HydrophobicContact CG-CG1 4.2Å; Y169-H257 HydrophobicContact CE2-CB 3.98Å; Y169-H257 AromaticContact CE2-ND1 3.61Å; Y169-H257 AromaticContact CZ-ND1 3.8Å; Y169-H257 PolarHBondContact OH-ND1 3.03Å; Y169-L260 VanDerWaalsContact OH-CD2 3.29Å; Y169-L260 WeakPolarHBondContact OH-CD2 3.43Å; Y169-M288 HydrophobicContact CD1-CE 3.81Å; Y169-M288 HydrophobicContact CD1-SD 3.52Å; Y169-M288 VanDerWaalsContact CD1-SD 3.52Å; Y169-M288 HydrophobicContact CE1-SD 3.96Å; Y169-M288 HydrophobicContact CG-CE 3.92Å; Y169-M288 HydrophobicContact CG-SD 4.26Å; Y169-I291 HydrophobicContact CE1-CG2 4.14Å
170A98.8Very high97.9Very high0 Ų027.5 Ų27.50%016%0.162CC..EExtended strand (participates in β ladder)trans-100.3128.5165.400000109.1I43 G135 S136 Y172 M177I43-A170 HydrophobicContact CB-CB 4.4Å; I43-A170 HydrophobicContact CD1-CB 4.12Å; I43-A170 HydrophobicContact CG1-CB 4.04Å; I43-A170 HydrophobicContact CG2-CB 3.45Å; I43-A170 VanDerWaalsContact CG2-CB 3.45Å; G135-A170 CarbonylContact C-O 3.48Å; G135-A170 WeakPolarHBondContact CA-O 3.22Å; S136-A170 PolarHBondContact N-O 3.45Å; S136-A170 PolarHBondContact O-N 3.24Å; A170-Y172 HydrophobicContact CB-CE1 3.92Å; A170-M177 CarbonylContact C-O 3.56Å; A170-M177 VanDerWaalsContact CA-O 3.29Å; A170-M177 WeakPolarHBondContact CA-O 3.42Å
171L98.7Very high97.9Very high19 Ų1926.1 Ų26.110%0.09915%0.153CC..EExtended strand (participates in β ladder)trans-99.3123170.717362.8000108.8G173 T176 M177 V253 A254 H257L171-G173 PolarHBondContact O-N 2.71Å; L171-T176 VanDerWaalsContact O-CA 3.27Å; L171-T176 WeakPolarHBondContact O-CA 3.35Å; L171-M177 PolarHBondContact N-O 3.3Å; L171-M177 PolarHBondContact O-N 3.1Å; L171-M177 VanDerWaalsContact O-N 3.08Å; L171-V253 HydrophobicContact CB-CG1 3.94Å; L171-V253 HydrophobicContact CD1-CG1 4.02Å; L171-A254 HydrophobicContact CD1-CB 4.25Å; L171-H257 HydrophobicContact CD2-CB 4.17Å; L171-H257 VanDerWaalsContact CD2-CD2 3.43Å; L171-H257 WeakPolarHBondContact CD2-CD2 3.43Å
172Y97.9Very high97.8Very high9 Ų927.1 Ų27.14%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-99.565.5172.4-47.2-58.6000109.4I43 V46 V50 L122 I134 G135 S136 A170 T176I43-Y172 HydrophobicContact CG2-CE1 4.04Å; V46-Y172 HydrophobicContact CG1-CD2 4.42Å; V46-Y172 HydrophobicContact CG1-CE1 4.31Å; V46-Y172 HydrophobicContact CG1-CE2 3.6Å; V50-Y172 HydrophobicContact CG2-CD2 4.25Å; V50-Y172 HydrophobicContact CG2-CG 4.42Å; L122-Y172 HydrophobicContact CD1-CD2 4.22Å; L122-Y172 HydrophobicContact CD1-CE2 4.01Å; I134-Y172 HydrophobicContact CG1-CD2 4.07Å; I134-Y172 WeakPolarHBondContact O-CA 3.46Å; I134-Y172 PolarHBondContact O-N 3.36Å; G135-Y172 VanDerWaalsContact C-CE2 3.42Å; G135-Y172 VanDerWaalsContact CA-CD2 3.47Å; S136-Y172 VanDerWaalsContact OG-CE2 3.32Å; S136-Y172 WeakPolarHBondContact OG-CE2 3.29Å; S136-Y172 PolarHBondContact OG-OH 3.37Å; A170-Y172 HydrophobicContact CB-CE1 3.92Å; Y172-T176 HydrophobicContact CD1-CG2 4.14Å; Y172-T176 HydrophobicContact CE1-CG2 4.32Å
173G97.1Very high97.4Very high23 Ų2323.7 Ų23.724%0.23716%0.162CC..SBendtrans-97-144.2179.200000112.5L171 A175L171-G173 PolarHBondContact O-N 2.71Å; G173-A175 CarbonylContact C-O 3.58Å; G173-A175 PolarHBondContact N-O 3.02Å; G173-A175 PolarHBondContact O-N 3.18Å
174S96.7Very high97.1Very high140 Ų14020.8 Ų20.898%0.97915%0.151SC*.SBendtrans-59.3-27.1172.456.30000113.1
175A97.4Very high97Very high46 Ų4620.7 Ų20.738%0.3815%0.152SC..SBendtrans-131.5162.6164.900000108.6G173 T190G173-A175 CarbonylContact C-O 3.58Å; G173-A175 PolarHBondContact N-O 3.02Å; G173-A175 PolarHBondContact O-N 3.18Å; A175-T190 HydrophobicContact CB-CG2 4.35Å
176T98.5Very high97.1Very high1 Ų118.5 Ų18.51%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-91.5125.2169.7-75.50000110.1S47 R51 L171 Y172 L191 F198S47-T176 PolarHBondContact OG-OG1 3.11Å; R51-T176 PolarHBondContact NH1-OG1 2.8Å; R51-T176 VanDerWaalsContact NH2-CB 3.34Å; R51-T176 VanDerWaalsContact NH2-N 3.17Å; R51-T176 PolarHBondContact NH2-OG1 2.85Å; L171-T176 VanDerWaalsContact O-CA 3.27Å; L171-T176 WeakPolarHBondContact O-CA 3.35Å; Y172-T176 HydrophobicContact CD1-CG2 4.14Å; Y172-T176 HydrophobicContact CE1-CG2 4.32Å; T176-L191 HydrophobicContact CG2-CB 4Å; T176-L191 HydrophobicContact CG2-CD2 4.03Å; T176-L191 PolarHBondContact O-N 3.46Å; T176-F198 HydrophobicContact CG2-CE1 3.96Å; T176-F198 HydrophobicContact CG2-CZ 3.98Å
177M98.5Very high97.2Very high13 Ų1318.9 Ų18.96%0.06414%0.14CC..EExtended strand (participates in β ladder)trans-127.1136.4178.7-167.9170.5176.100109.5A170 L171 V179 F189 H202 H257A170-M177 CarbonylContact C-O 3.56Å; A170-M177 VanDerWaalsContact CA-O 3.29Å; A170-M177 WeakPolarHBondContact CA-O 3.42Å; L171-M177 PolarHBondContact N-O 3.3Å; L171-M177 PolarHBondContact O-N 3.1Å; L171-M177 VanDerWaalsContact O-N 3.08Å; M177-V179 HydrophobicContact CE-CG2 3.97Å; M177-V179 HydrophobicContact CG-CG2 4.19Å; M177-V179 HydrophobicContact SD-CG2 4.37Å; M177-F189 CarbonylContact C-O 3.41Å; M177-F189 VanDerWaalsContact CA-O 3.24Å; M177-F189 WeakPolarHBondContact CA-O 3.48Å; M177-F189 WeakPolarHBondContact CG-O 3.32Å; M177-H202 HydrophobicContact CE-CB 3.94Å; M177-H202 WeakPolarHBondContact CE-ND1 3.17Å; M177-H257 PolarHBondContact SD-CE1 3.44Å
178L98.7Very high97.2Very high1 Ų118.9 Ų18.91%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-109.3115.8171.3171.752.4000108L14 I43 F138 Y169 L180 F189 F198L14-L178 HydrophobicContact CD2-CD2 3.47Å; L14-L178 VanDerWaalsContact CD2-CD2 3.47Å; I43-L178 HydrophobicContact CD1-CD1 3.91Å; I43-L178 HydrophobicContact CD1-CD2 3.99Å; F138-L178 HydrophobicContact CE1-CD1 3.74Å; F138-L178 HydrophobicContact CZ-CD1 4.06Å; Y169-L178 WeakPolarHBondContact O-CA 3.27Å; Y169-L178 WeakPolarHBondContact O-CD1 3.49Å; L178-L180 HydrophobicContact CD2-CD2 4.44Å; L178-L180 HydrophobicContact CG-CD2 4.26Å; L178-F189 PolarHBondContact N-O 2.85Å; L178-F189 PolarHBondContact O-N 2.95Å; L178-F198 HydrophobicContact CB-CD1 3.83Å; L178-F198 HydrophobicContact CB-CE1 3.55Å; L178-F198 HydrophobicContact CB-CG 4.47Å; L178-F198 HydrophobicContact CB-CZ 3.99Å; L178-F198 HydrophobicContact CD2-CD2 4.37Å; L178-F198 HydrophobicContact CD2-CE2 4.31Å; L178-F198 HydrophobicContact CD2-CZ 4.44Å
179V98.8Very high97.2Very high0 Ų018.9 Ų18.90%014%0.14CC..EExtended strand (participates in β ladder)trans-107131174.8179.80000108.6G168 Y169 M177 V186 H187 I205 L260 I291G168-V179 CarbonylContact C-O 3.54Å; G168-V179 WeakPolarHBondContact CA-O 3.43Å; Y169-V179 HydrophobicContact CD1-CB 4.41Å; Y169-V179 HydrophobicContact CD2-CB 4.18Å; Y169-V179 HydrophobicContact CD2-CG2 4.49Å; Y169-V179 HydrophobicContact CE1-CB 3.9Å; Y169-V179 HydrophobicContact CE1-CG1 3.98Å; Y169-V179 HydrophobicContact CE2-CB 3.64Å; Y169-V179 HydrophobicContact CE2-CG1 4.46Å; Y169-V179 HydrophobicContact CE2-CG2 3.66Å; Y169-V179 VanDerWaalsContact CZ-CB 3.48Å; Y169-V179 PolarHBondContact N-O 3.12Å; Y169-V179 PolarHBondContact O-N 3.36Å; M177-V179 HydrophobicContact CE-CG2 3.97Å; M177-V179 HydrophobicContact CG-CG2 4.19Å; M177-V179 HydrophobicContact SD-CG2 4.37Å; V179-V186 HydrophobicContact CG1-CG1 3.58Å; V179-H187 WeakPolarHBondContact CA-O 3.3Å; V179-I205 HydrophobicContact CG1-CD1 4.31Å; V179-L260 HydrophobicContact CG1-CD2 3.97Å; V179-I291 HydrophobicContact CG1-CG2 4.38Å
180L98.5Very high97.2Very high1 Ų120.7 Ų20.71%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-147.7164.5-177.367.787.1000113L14 F17 M36 F138 A167 L178 V182 V186 H187 F189L14-L180 HydrophobicContact CD1-CD2 3.59Å; F17-L180 HydrophobicContact CE1-CD1 4.4Å; M36-L180 HydrophobicContact CE-CD2 3.81Å; F138-L180 HydrophobicContact CZ-CB 4.36Å; A167-L180 CarbonylContact O-C 3.52Å; A167-L180 VanDerWaalsContact O-CA 3.26Å; A167-L180 WeakPolarHBondContact O-CA 3.47Å; A167-L180 WeakPolarHBondContact O-CB 3.42Å; L178-L180 HydrophobicContact CD2-CD2 4.44Å; L178-L180 HydrophobicContact CG-CD2 4.26Å; L180-V182 HydrophobicContact CD1-CG1 4.07Å; L180-V186 WeakPolarHBondContact O-CA 3.4Å; L180-H187 PolarHBondContact N-O 3.4Å; L180-H187 PolarHBondContact O-N 3.14Å; L180-F189 HydrophobicContact CD2-CD2 4.35Å; L180-F189 HydrophobicContact CD2-CE2 4.11Å; L180-F189 HydrophobicContact CG-CE2 4.21Å
181T98Very high97.1Very high1 Ų121.6 Ų21.61%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-132.1145.1164.7-174.60000109.8A166 A167 G183 G185 L290 I291 Q294A166-T181 WeakPolarHBondContact CA-O 3.39Å; A166-T181 WeakPolarHBondContact CB-O 3.22Å; A167-T181 HydrophobicContact CB-CG2 4.39Å; A167-T181 PolarHBondContact N-O 2.8Å; A167-T181 VanDerWaalsContact N-O 3.11Å; A167-T181 PolarHBondContact O-N 3.28Å; T181-G183 PolarHBondContact OG1-N 3.24Å; T181-G185 WeakPolarHBondContact CA-O 3.48Å; T181-G185 WeakPolarHBondContact CB-O 3.47Å; T181-G185 PolarHBondContact OG1-O 3.41Å; T181-L290 HydrophobicContact CG2-CD2 3.93Å; T181-L290 HydrophobicContact CG2-CG 3.96Å; T181-I291 HydrophobicContact CG2-CD1 3.67Å; T181-I291 HydrophobicContact CG2-CG1 4.48Å; T181-Q294 HydrophobicContact CG2-CG 4.19Å
182V94.8Very high97Very high20 Ų2023.7 Ų23.712%0.12117%0.168CC..SBendtrans-120.425.2169.1-63.40000111.1I18 E21 A166 L180I18-V182 HydrophobicContact CD1-CG1 4.09Å; E21-V182 HydrophobicContact CB-CG2 4.27Å; E21-V182 HydrophobicContact CG-CG2 4Å; A166-V182 HydrophobicContact CB-CG1 4.07Å; L180-V182 HydrophobicContact CD1-CG1 4.07Å
183G89.4Confident96.9Very high50 Ų5028.5 Ų28.552%0.51520%0.2SC..SBendtrans90.2-4.4-177.400000115.2T181T181-G183 PolarHBondContact OG1-N 3.24Å
184T90.1Very high96.8Very high46 Ų4631.8 Ų31.828%0.28223%0.225SC..SBendtrans-117.755.5179.551.10000111.2E21 F25 H187E21-T184 PolarHBondContact OE2-OG1 3.13Å; F25-T184 HydrophobicContact CZ-CG2 4.35Å; T184-H187 PolarHBondContact O-NE2 3.24Å
185G95.9Very high96.7Very high16 Ų1629.2 Ų29.217%0.16520%0.199CC..  trans83.5-173.7-178.400000113.5T181T181-G185 WeakPolarHBondContact CA-O 3.48Å; T181-G185 WeakPolarHBondContact CB-O 3.47Å; T181-G185 PolarHBondContact OG1-O 3.41Å
186V98.6Very high96.7Very high1 Ų128.1 Ų28.11%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-115.3133-177-177.90000109.8V179 L180 N204 I205 L260 I291 Q294 A295V179-V186 HydrophobicContact CG1-CG1 3.58Å; L180-V186 WeakPolarHBondContact O-CA 3.4Å; V186-N204 CarbonylContact O-C 3.49Å; V186-N204 VanDerWaalsContact O-CA 3.24Å; V186-N204 WeakPolarHBondContact O-CA 3.5Å; V186-N204 PolarHBondContact O-N 2.83Å; V186-I205 HydrophobicContact CB-CB 4.2Å; V186-I205 HydrophobicContact CG1-CB 4.13Å; V186-I205 HydrophobicContact CG1-CD1 4.26Å; V186-I205 PolarHBondContact O-N 3.06Å; V186-L260 HydrophobicContact CG1-CD2 4.29Å; V186-I291 HydrophobicContact CG1-CD1 4.28Å; V186-I291 HydrophobicContact CG1-CG2 3.9Å; V186-I291 HydrophobicContact CG2-CG2 4.25Å; V186-I291 WeakPolarHBondContact CG2-O 3.25Å; V186-Q294 HydrophobicContact CG2-CB 3.56Å; V186-A295 HydrophobicContact CG2-CB 4.03Å
187H98.5Very high96.6Very high9 Ų930.8 Ų30.84%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-133139.6-176.1-55.5-85.5000110.5F17 V179 L180 T184 F189 L200 H202 N204F17-H187 AromaticContact CE2-CE1 4Å; F17-H187 AromaticContact CE2-CG 3.97Å; F17-H187 AromaticContact CE2-ND1 3.97Å; F17-H187 HydrophobicContact CZ-CB 4.32Å; F17-H187 AromaticContact CZ-CD2 3.39Å; F17-H187 WeakPolarHBondContact CZ-CD2 3.31Å; F17-H187 AromaticContact CZ-CG 3.68Å; F17-H187 AromaticContact CZ-NE2 3.64Å; V179-H187 WeakPolarHBondContact CA-O 3.3Å; L180-H187 PolarHBondContact N-O 3.4Å; L180-H187 PolarHBondContact O-N 3.14Å; T184-H187 PolarHBondContact O-NE2 3.24Å; H187-F189 HydrophobicContact CB-CE2 3.76Å; H187-F189 HydrophobicContact CB-CZ 4.21Å; H187-L200 HydrophobicContact CB-CD1 4.11Å; H187-H202 WeakPolarHBondContact CA-O 3.28Å; H187-N204 PolarHBondContact CE1-OD1 3.01Å; H187-N204 PolarHBondContact ND1-N 3.48Å; H187-N204 VanDerWaalsContact ND1-N 3.2Å
188G98.5Very high96.6Very high0 Ų030.1 Ų30.10%020%0.202CC..EExtended strand (participates in β ladder)trans-115.7127.8179.700000112.4T201 H202G188-T201 PolarHBondContact O-N 2.81Å; G188-T201 PolarHBondContact O-OG1 3.05Å; G188-H202 PolarHBondContact N-O 3.29Å; G188-H202 PolarHBondContact O-N 3.04Å
189F98.6Very high96.6Very high0 Ų031.4 Ų31.40%021%0.208CC..EExtended strand (participates in β ladder)trans-116.8130.1-179.7-57.5-102000110.3L14 F17 M177 L178 L180 H187 F198 I199 L200L14-F189 HydrophobicContact CB-CD1 3.91Å; L14-F189 HydrophobicContact CB-CE1 4.13Å; L14-F189 HydrophobicContact CB-CG 4.33Å; L14-F189 HydrophobicContact CD1-CD1 4.36Å; L14-F189 HydrophobicContact CD1-CD2 4.1Å; L14-F189 HydrophobicContact CD1-CE1 4.1Å; L14-F189 HydrophobicContact CD1-CE2 3.83Å; L14-F189 HydrophobicContact CD1-CG 4.39Å; L14-F189 HydrophobicContact CD1-CZ 3.84Å; F17-F189 HydrophobicContact CB-CE1 3.87Å; F17-F189 HydrophobicContact CB-CZ 3.86Å; F17-F189 HydrophobicContact CD1-CE1 4.45Å; F17-F189 HydrophobicContact CD1-CE2 4.37Å; F17-F189 AromaticContact CD1-CZ 3.6Å; F17-F189 HydrophobicContact CD1-CZ 3.6Å; F17-F189 HydrophobicContact CD2-CZ 4.05Å; F17-F189 HydrophobicContact CE1-CZ 4.15Å; F17-F189 HydrophobicContact CG-CE1 4.07Å; F17-F189 AromaticContact CG-CZ 3.55Å; F17-F189 HydrophobicContact CG-CZ 3.55Å; M177-F189 CarbonylContact C-O 3.41Å; M177-F189 VanDerWaalsContact CA-O 3.24Å; M177-F189 WeakPolarHBondContact CA-O 3.48Å; M177-F189 WeakPolarHBondContact CG-O 3.32Å; L178-F189 PolarHBondContact N-O 2.85Å; L178-F189 PolarHBondContact O-N 2.95Å; L180-F189 HydrophobicContact CD2-CD2 4.35Å; L180-F189 HydrophobicContact CD2-CE2 4.11Å; L180-F189 HydrophobicContact CG-CE2 4.21Å; H187-F189 HydrophobicContact CB-CE2 3.76Å; H187-F189 HydrophobicContact CB-CZ 4.21Å; F189-F198 HydrophobicContact CB-CB 3.83Å; F189-F198 HydrophobicContact CB-CD1 4.05Å; F189-F198 HydrophobicContact CB-CG 4.36Å; F189-I199 CarbonylContact C-O 3.49Å; F189-I199 WeakPolarHBondContact CA-O 3.43Å; F189-L200 HydrophobicContact CD1-CB 3.89Å; F189-L200 HydrophobicContact CD1-CD1 4.26Å; F189-L200 HydrophobicContact CE1-CB 3.72Å; F189-L200 HydrophobicContact CE1-CD1 3.88Å; F189-L200 HydrophobicContact CE1-CG 4.34Å; F189-L200 HydrophobicContact CE2-CD1 4.27Å; F189-L200 HydrophobicContact CZ-CD1 3.86Å
190T98.4Very high96.5Very high38 Ų3833.2 Ų33.223%0.23322%0.218CC..EExtended strand (participates in β ladder)trans-96.9132.6175.5-56.30000109.6A175 D192 I199 T201A175-T190 HydrophobicContact CB-CG2 4.35Å; T190-D192 PolarHBondContact O-N 3.44Å; T190-I199 PolarHBondContact N-O 3.15Å; T190-I199 PolarHBondContact O-N 2.93Å; T190-T201 WeakPolarHBondContact OG1-CG2 3.22Å; T190-T201 PolarHBondContact OG1-OG1 3.45Å
191L98.5Very high96.4Very high19 Ų1936.2 Ų36.210%0.09924%0.236CC..EExtended strand (participates in β ladder)trans-71.3119.8175.1179.662.2000109.6K44 S47 T176 P193 F198K44-L191 HydrophobicContact CD-CD1 3.91Å; K44-L191 HydrophobicContact CG-CD1 3.86Å; K44-L191 HydrophobicContact CG-CD2 4.36Å; S47-L191 WeakPolarHBondContact OG-CD2 3.17Å; T176-L191 HydrophobicContact CG2-CB 4Å; T176-L191 HydrophobicContact CG2-CD2 4.03Å; T176-L191 PolarHBondContact O-N 3.46Å; L191-P193 VanDerWaalsContact O-CD 3.31Å; L191-P193 WeakPolarHBondContact O-CD 3.37Å; L191-F198 HydrophobicContact CB-CD1 3.97Å; L191-F198 HydrophobicContact CB-CE1 3.65Å; L191-F198 HydrophobicContact CB-CZ 4.1Å; L191-F198 HydrophobicContact CD1-CD2 4.36Å; L191-F198 HydrophobicContact CD1-CE2 4.28Å; L191-F198 HydrophobicContact CD1-CZ 4.35Å
192D96.8Very high96.4Very high63 Ų6339.5 Ų39.534%0.33725%0.251SS..EExtended strand (participates in β ladder)trans-81.7110.9162.5-173.7-33.1000108.6T190 A194 I195 G196 E197 I199T190-D192 PolarHBondContact O-N 3.44Å; D192-A194 VanDerWaalsContact C-N 3.26Å; D192-A194 PolarHBondContact O-N 3.47Å; D192-A194 WeakPolarHBondContact OD1-CA 3.24Å; D192-A194 VanDerWaalsContact OD1-CB 3.28Å; D192-A194 WeakPolarHBondContact OD1-CB 3.38Å; D192-A194 PolarHBondContact OD1-N 2.9Å; D192-I195 HydrophobicContact CB-CD1 4.23Å; D192-I195 HydrophobicContact CB-CG1 3.75Å; D192-G196 WeakPolarHBondContact O-CA 3.49Å; D192-G196 PolarHBondContact O-N 2.93Å; D192-E197 PolarHBondContact N-O 2.87Å; D192-E197 PolarHBondContact O-N 2.64Å; D192-I199 HydrophobicContact CB-CG1 4.39Å
193P95Very high96.5Very high111 Ų11142.3 Ų42.372%0.72127%0.27SS*.THydrogen-bonded Turntrans-71.5-17.8-177.930.7-35.6000113.6L191L191-P193 VanDerWaalsContact O-CD 3.31Å; L191-P193 WeakPolarHBondContact O-CD 3.37Å
194A95.5Very high96.8Very high91 Ų9145 Ų4575%0.75227%0.272SS*.THydrogen-bonded Turntrans-76.9-37.9-178.300000111.9D192D192-A194 VanDerWaalsContact C-N 3.26Å; D192-A194 PolarHBondContact O-N 3.47Å; D192-A194 WeakPolarHBondContact OD1-CA 3.24Å; D192-A194 VanDerWaalsContact OD1-CB 3.28Å; D192-A194 WeakPolarHBondContact OD1-CB 3.38Å; D192-A194 PolarHBondContact OD1-N 2.9Å
195I94.9Very high97.3Very high87 Ų8743.5 Ų43.545%0.44626%0.263SS..THydrogen-bonded Turntrans-105.1-14.4178.460.5171.2000113.3Y11 D192 E197 I199Y11-I195 HydrophobicContact CE2-CD1 4.42Å; D192-I195 HydrophobicContact CB-CD1 4.23Å; D192-I195 HydrophobicContact CB-CG1 3.75Å; I195-E197 HydrophobicContact CD1-CB 3.82Å; I195-E197 HydrophobicContact CD1-CG 4.2Å; I195-E197 HydrophobicContact CG1-CB 3.98Å; I195-E197 HydrophobicContact CG1-CG 4.35Å; I195-I199 HydrophobicContact CD1-CD1 4.37Å
196G96.2Very high97.4Very high23 Ų2347.3 Ų47.324%0.23729%0.287CS..THydrogen-bonded Turntrans7330.8179.700000113.7K44 D192K44-G196 WeakPolarHBondContact CD-O 3.49Å; K44-G196 PolarHBondContact NZ-O 3.47Å; D192-G196 WeakPolarHBondContact O-CA 3.49Å; D192-G196 PolarHBondContact O-N 2.93Å
197E97.2Very high97.4Very high56 Ų5647.9 Ų47.926%0.26229%0.29SS..EExtended strand (participates in β ladder)trans-118.7142.8-178.5-74.1-64.7141.300111.7T13 D192 I195 I199T13-E197 HydrophobicContact CG2-CB 4.4Å; T13-E197 HydrophobicContact CG2-CG 4.48Å; D192-E197 PolarHBondContact N-O 2.87Å; D192-E197 PolarHBondContact O-N 2.64Å; I195-E197 HydrophobicContact CD1-CB 3.82Å; I195-E197 HydrophobicContact CD1-CG 4.2Å; I195-E197 HydrophobicContact CG1-CB 3.98Å; I195-E197 HydrophobicContact CG1-CG 4.35Å; E197-I199 HydrophobicContact CB-CD1 4.03Å
198F98.3Very high97.4Very high0 Ų052.7 Ų52.70%031%0.31CS..EExtended strand (participates in β ladder)trans-84.9113.3171-84.4-73.1000109.3T13 L14 Q40 I43 K44 T176 L178 F189 L191T13-F198 CarbonylContact C-O 3.45Å; T13-F198 VanDerWaalsContact CA-O 3.27Å; T13-F198 WeakPolarHBondContact CA-O 3.43Å; L14-F198 HydrophobicContact CB-CB 3.75Å; L14-F198 HydrophobicContact CD2-CB 4.28Å; L14-F198 HydrophobicContact CD2-CD2 4.41Å; L14-F198 PolarHBondContact N-O 2.8Å; Q40-F198 HydrophobicContact CB-CD2 4.11Å; Q40-F198 HydrophobicContact CB-CE2 4.22Å; I43-F198 HydrophobicContact CG2-CE2 4.13Å; I43-F198 HydrophobicContact CG2-CZ 3.66Å; K44-F198 HydrophobicContact CD-CE2 4.45Å; K44-F198 HydrophobicContact CG-CD2 4.48Å; K44-F198 HydrophobicContact CG-CE2 3.83Å; T176-F198 HydrophobicContact CG2-CE1 3.96Å; T176-F198 HydrophobicContact CG2-CZ 3.98Å; L178-F198 HydrophobicContact CB-CD1 3.83Å; L178-F198 HydrophobicContact CB-CE1 3.55Å; L178-F198 HydrophobicContact CB-CG 4.47Å; L178-F198 HydrophobicContact CB-CZ 3.99Å; L178-F198 HydrophobicContact CD2-CD2 4.37Å; L178-F198 HydrophobicContact CD2-CE2 4.31Å; L178-F198 HydrophobicContact CD2-CZ 4.44Å; F189-F198 HydrophobicContact CB-CB 3.83Å; F189-F198 HydrophobicContact CB-CD1 4.05Å; F189-F198 HydrophobicContact CB-CG 4.36Å; L191-F198 HydrophobicContact CB-CD1 3.97Å; L191-F198 HydrophobicContact CB-CE1 3.65Å; L191-F198 HydrophobicContact CB-CZ 4.1Å; L191-F198 HydrophobicContact CD1-CD2 4.36Å; L191-F198 HydrophobicContact CD1-CE2 4.28Å; L191-F198 HydrophobicContact CD1-CZ 4.35Å
199I97.5Very high97.4Very high27 Ų2756.8 Ų56.814%0.13834%0.337CS..EExtended strand (participates in β ladder)trans-99.7132.6-178.9-53.5-51.7000109.8Y11 T13 F189 T190 D192 I195 E197 T201Y11-I199 HydrophobicContact CD2-CD1 3.54Å; Y11-I199 HydrophobicContact CE2-CD1 4.04Å; Y11-I199 HydrophobicContact CG-CD1 4.29Å; T13-I199 HydrophobicContact CG2-CD1 3.9Å; F189-I199 CarbonylContact C-O 3.49Å; F189-I199 WeakPolarHBondContact CA-O 3.43Å; T190-I199 PolarHBondContact N-O 3.15Å; T190-I199 PolarHBondContact O-N 2.93Å; D192-I199 HydrophobicContact CB-CG1 4.39Å; I195-I199 HydrophobicContact CD1-CD1 4.37Å; E197-I199 HydrophobicContact CB-CD1 4.03Å; I199-T201 PolarHBondContact O-N 2.64Å; I199-T201 VanDerWaalsContact O-N 3.15Å
200L97.5Very high97.4Very high39 Ų3961.8 Ų61.820%0.20436%0.356CS..EExtended strand (participates in β ladder)trans-62.3117175.8-17962.8000109.9L12 H187 F189 P203L12-L200 HydrophobicContact CB-CB 4.17Å; L12-L200 HydrophobicContact CB-CD2 4.43Å; L12-L200 HydrophobicContact CD2-CD2 3.75Å; L12-L200 HydrophobicContact CG-CD2 4.47Å; L12-L200 WeakPolarHBondContact O-CB 3.25Å; L12-L200 PolarHBondContact O-N 3.19Å; H187-L200 HydrophobicContact CB-CD1 4.11Å; F189-L200 HydrophobicContact CD1-CB 3.89Å; F189-L200 HydrophobicContact CD1-CD1 4.26Å; F189-L200 HydrophobicContact CE1-CB 3.72Å; F189-L200 HydrophobicContact CE1-CD1 3.88Å; F189-L200 HydrophobicContact CE1-CG 4.34Å; F189-L200 HydrophobicContact CE2-CD1 4.27Å; F189-L200 HydrophobicContact CZ-CD1 3.86Å; L200-P203 HydrophobicContact CD2-CB 4.18Å
201T97.1Very high97.3Very high63 Ų6360.5 Ų60.539%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-118.3-20.8178.551.90000112.4G188 T190 I199G188-T201 PolarHBondContact O-N 2.81Å; G188-T201 PolarHBondContact O-OG1 3.05Å; T190-T201 WeakPolarHBondContact OG1-CG2 3.22Å; T190-T201 PolarHBondContact OG1-OG1 3.45Å; I199-T201 PolarHBondContact O-N 2.64Å; I199-T201 VanDerWaalsContact O-N 3.15Å
202H97.4Very high97.3Very high71 Ų7164.1 Ų64.133%0.32937%0.369SS..EExtended strand (participates in β ladder)trans-134.879.8-177-61.174.3000110.3M177 H187 G188 I205M177-H202 HydrophobicContact CE-CB 3.94Å; M177-H202 WeakPolarHBondContact CE-ND1 3.17Å; H187-H202 WeakPolarHBondContact CA-O 3.28Å; G188-H202 PolarHBondContact N-O 3.29Å; G188-H202 PolarHBondContact O-N 3.04Å; H202-I205 HydrophobicContact CB-CD1 3.78Å; H202-I205 HydrophobicContact CB-CG1 3.82Å; H202-I205 WeakPolarHBondContact O-CG1 3.47Å
203P96.4Very high97.4Very high79 Ų7961.9 Ų61.951%0.51336%0.357SS..THydrogen-bonded Turntrans-69.1142.1174.527.6-33.2000111.7L200 I205L200-P203 HydrophobicContact CD2-CB 4.18Å; P203-I205 PolarHBondContact O-N 3.44Å
204N96.9Very high97.6Very high106 Ų10657.1 Ų57.157%0.56733%0.325SS*.THydrogen-bonded Turntrans48.751.5170.2-64-47.9000114.5V186 H187 S206V186-N204 CarbonylContact O-C 3.49Å; V186-N204 VanDerWaalsContact O-CA 3.24Å; V186-N204 WeakPolarHBondContact O-CA 3.5Å; V186-N204 PolarHBondContact O-N 2.83Å; H187-N204 PolarHBondContact CE1-OD1 3.01Å; H187-N204 PolarHBondContact ND1-N 3.48Å; H187-N204 VanDerWaalsContact ND1-N 3.2Å; N204-S206 PolarHBondContact O-N 2.81Å; N204-S206 PolarHBondContact O-OG 3.14Å
205I98.5Very high97.8Very high15 Ų1552.8 Ų52.88%0.07729%0.289CS..  trans-55.6126.8177.9-56.3175.9000109.6V179 V186 H202 P203 L260 L261V179-I205 HydrophobicContact CG1-CD1 4.31Å; V186-I205 HydrophobicContact CB-CB 4.2Å; V186-I205 HydrophobicContact CG1-CB 4.13Å; V186-I205 HydrophobicContact CG1-CD1 4.26Å; V186-I205 PolarHBondContact O-N 3.06Å; H202-I205 HydrophobicContact CB-CD1 3.78Å; H202-I205 HydrophobicContact CB-CG1 3.82Å; H202-I205 WeakPolarHBondContact O-CG1 3.47Å; P203-I205 PolarHBondContact O-N 3.44Å; I205-L260 HydrophobicContact CD1-CD2 4.33Å; I205-L260 HydrophobicContact CG2-CD1 3.86Å; I205-L260 HydrophobicContact CG2-CD2 3.99Å; I205-L260 HydrophobicContact CG2-CG 3.7Å; I205-L261 HydrophobicContact CD1-CD2 4.32Å; I205-L261 HydrophobicContact CG2-CD2 3.98Å
206S98.5Very high97.9Very high96 Ų9649 Ų4967%0.67127%0.27SS*.  trans-124.5131174.6-59.70000109.4N204 A295N204-S206 PolarHBondContact O-N 2.81Å; N204-S206 PolarHBondContact O-OG 3.14Å; S206-A295 WeakPolarHBondContact CA-O 3.2Å
207I98.5Very high98Very high13 Ų1350.4 Ų50.47%0.06727%0.272CS..  trans-78.1146.3177.9-164.4169000110.2T259 I292 A295 G297 G323I207-T259 HydrophobicContact CD1-CG2 4.24Å; I207-T259 WeakPolarHBondContact CD1-O 3.42Å; I207-I292 HydrophobicContact CD1-CD1 4.18Å; I207-A295 HydrophobicContact CB-CB 4.4Å; I207-A295 HydrophobicContact CG2-CB 4.49Å; I207-A295 WeakPolarHBondContact CG2-O 3.4Å; I207-A295 PolarHBondContact N-O 3Å; I207-G297 VanDerWaalsContact CG2-N 3.29Å; I207-G323 VanDerWaalsContact CD1-C 3.43Å
208K98.6Very high98Very high110 Ų11050.7 Ų50.748%0.47827%0.273SS..  trans-63.2141.8174.1-63.3179.2-169.3158.60110.2R210 Y262 S324K208-R210 WeakPolarHBondContact CB-O 3.41Å; K208-R210 PolarHBondContact O-N 2.83Å; K208-Y262 WeakPolarHBondContact CD-O 3.2Å; K208-Y262 PolarHBondContact NZ-O 3.16Å; K208-Y262 VanDerWaalsContact NZ-O 3.1Å; K208-S324 WeakPolarHBondContact O-CA 3.5Å; K208-S324 VanDerWaalsContact O-CB 3.24Å; K208-S324 WeakPolarHBondContact O-CB 3.41Å; K208-S324 PolarHBondContact O-OG 3.03Å
209P98.6Very high97.9Very high85 Ų8553.7 Ų53.755%0.55231%0.305SS*.SBendtrans-56.7-36.6175.9-26.634.7000113.2S324 K325 D326P209-S324 CarbonylContact O-C 3.45Å; P209-S324 WeakPolarHBondContact O-CB 3.41Å; P209-K325 PolarHBondContact O-N 2.89Å; P209-K325 VanDerWaalsContact O-N 3.13Å; P209-D326 VanDerWaalsContact O-CB 3.32Å; P209-D326 WeakPolarHBondContact O-CB 3.37Å; P209-D326 PolarHBondContact O-N 2.91Å
210R98.5Very high97.9Very high105 Ų10556.7 Ų56.740%0.39632%0.315SS..SBendtrans-135139.2174.4-177.5164.2-74.3-921.1110.2K208 Y244 D326 D327 E330K208-R210 WeakPolarHBondContact CB-O 3.41Å; K208-R210 PolarHBondContact O-N 2.83Å; R210-Y244 PolarHBondContact NH1-OH 2.74Å; R210-D326 HydrophobicContact CB-CB 4.05Å; R210-D326 PolarHBondContact NH2-O 2.95Å; R210-D326 VanDerWaalsContact NH2-O 3.13Å; R210-D327 IonicContact NH1-OD1 3.92Å; R210-D327 PolarHBondContact NH1-OD1 3.38Å; R210-E330 IonicContact CZ-OE2 3.58Å; R210-E330 IonicContact NH1-OE2 3.64Å; R210-E330 PolarHBondContact NH1-OE2 3.31Å; R210-E330 IonicContact NH2-OE2 2.83Å; R210-E330 PolarHBondContact NH2-OE2 3.29Å
211G97.9Very high97.8Very high11 Ų1157 Ų5711%0.11332%0.323CS..  trans-109.3-162.6171.100000113.4Y244 S324 D327G211-Y244 PolarHBondContact O-OH 3.03Å; G211-S324 PolarHBondContact N-OG 3.43Å; G211-D327 PolarHBondContact N-OD2 3.43Å
212N98Very high97.8Very high95 Ų9558.7 Ų58.751%0.50834%0.337SS..SBendtrans-142.120.418062.1-9.7000111.7Y244 S245N212-Y244 WeakPolarHBondContact O-CA 3.38Å; N212-S245 PolarHBondContact O-N 3.45Å
213I98.8Very high97.7Very high17 Ų1756.8 Ų56.89%0.08733%0.329CS..EExtended strand (participates in β ladder)trans-127.4135.2-178.3-61.1171.5000108.3S245 R247 Y262 G264 I265I213-S245 VanDerWaalsContact CA-O 3.27Å; I213-S245 WeakPolarHBondContact CA-O 3.16Å; I213-R247 HydrophobicContact CG2-CB 3.86Å; I213-R247 HydrophobicContact CG2-CG 3.9Å; I213-Y262 HydrophobicContact CD1-CD2 4.43Å; I213-G264 VanDerWaalsContact O-CA 3.22Å; I213-G264 WeakPolarHBondContact O-CA 3.32Å; I213-I265 PolarHBondContact O-N 2.8Å
214Y98.8Very high97.6Very high10 Ų1053.9 Ų53.94%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-115.7144163.574.2-89000109.9I216 E218 I232 K235 K236 S245 A246 R247 I265Y214-I216 HydrophobicContact CD2-CG2 3.8Å; Y214-I216 HydrophobicContact CE2-CG2 3.9Å; Y214-E218 WeakPolarHBondContact CE2-OE1 3.42Å; Y214-E218 PolarHBondContact OH-OE1 2.84Å; Y214-I232 HydrophobicContact CD2-CD1 3.78Å; Y214-I232 HydrophobicContact CE2-CD1 4.15Å; Y214-I232 HydrophobicContact CE2-CG2 4.32Å; Y214-I232 HydrophobicContact CG-CD1 4.38Å; Y214-K235 HydrophobicContact CD1-CB 4.02Å; Y214-K235 HydrophobicContact CE1-CB 4.35Å; Y214-K236 WeakPolarHBondContact OH-CE 3.26Å; Y214-S245 PolarHBondContact N-O 2.77Å; Y214-A246 HydrophobicContact CE1-CB 3.87Å; Y214-A246 HydrophobicContact CE2-CB 4Å; Y214-A246 WeakPolarHBondContact OH-CB 3.28Å; Y214-R247 PolarHBondContact O-N 3.38Å; Y214-I265 CarbonylContact C-O 3.53Å; Y214-I265 WeakPolarHBondContact CA-O 3.5Å
215S98.8Very high97.4Very high0 Ų051.9 Ų51.90%030%0.297CS..EExtended strand (participates in β ladder)trans-129.2108.1-178.3-176.60000110.6R247 D255 R258 I265 L267S215-R247 WeakPolarHBondContact CA-O 3.45Å; S215-R247 WeakPolarHBondContact CB-O 3.37Å; S215-R247 PolarHBondContact OG-O 2.82Å; S215-D255 PolarHBondContact OG-OD1 3.35Å; S215-R258 PolarHBondContact OG-NH2 3.12Å; S215-I265 PolarHBondContact N-O 3.01Å; S215-L267 PolarHBondContact O-N 2.94Å
216I98.5Very high97.3Very high8 Ų854.3 Ų54.34%0.04132%0.316CS..  trans-155.4149.7-179.8-168.5171.6000109.7Y214 E218 W224 I228 I232 Y248 L267 P269Y214-I216 HydrophobicContact CD2-CG2 3.8Å; Y214-I216 HydrophobicContact CE2-CG2 3.9Å; I216-E218 HydrophobicContact CG2-CG 3.96Å; I216-E218 PolarHBondContact O-N 3.4Å; I216-W224 HydrophobicContact CD1-CD2 4.45Å; I216-W224 HydrophobicContact CD1-CH2 4.14Å; I216-W224 HydrophobicContact CD1-CZ2 3.51Å; I216-W224 HydrophobicContact CG1-CZ2 3.88Å; I216-W224 HydrophobicContact CG2-CH2 4.36Å; I216-W224 HydrophobicContact CG2-CZ2 4.32Å; I216-I228 HydrophobicContact CD1-CG2 3.89Å; I216-I232 HydrophobicContact CD1-CD1 4.44Å; I216-I232 HydrophobicContact CD1-CG1 4.45Å; I216-I232 HydrophobicContact CG2-CD1 3.89Å; I216-I232 HydrophobicContact CG2-CG1 4.47Å; I216-Y248 VanDerWaalsContact C-CD2 3.44Å; I216-L267 HydrophobicContact CB-CB 4.17Å; I216-L267 HydrophobicContact CB-CD1 4.37Å; I216-L267 HydrophobicContact CD1-CB 3.92Å; I216-L267 HydrophobicContact CG1-CB 4.1Å; I216-P269 HydrophobicContact CD1-CG 4.24Å
217N97.5Very high97.2Very high53 Ų5350 Ų5028%0.28329%0.286SS..  trans-77.997.1169.5-172.4-12.5000111G219 Y220 W224 Y248N217-G219 PolarHBondContact O-N 3.31Å; N217-G219 VanDerWaalsContact O-N 3.17Å; N217-G219 WeakPolarHBondContact OD1-CA 3.43Å; N217-G219 PolarHBondContact OD1-N 3.13Å; N217-Y220 HydrophobicContact CB-CD2 3.94Å; N217-Y220 HydrophobicContact CB-CE2 4.23Å; N217-Y220 WeakPolarHBondContact ND2-CE2 3.21Å; N217-Y220 PolarHBondContact O-N 2.89Å; N217-W224 WeakPolarHBondContact O-CZ2 3.28Å; N217-Y248 HydrophobicContact CB-CD1 4.34Å; N217-Y248 HydrophobicContact CB-CE1 3.71Å; N217-Y248 HydrophobicContact CB-CE2 4.21Å
218E98Very high97.2Very high61 Ų6149.3 Ų49.329%0.28528%0.283SS..G310 helixtrans-65.5-11.4177.9-62.9-143.4-139.100114.7Y214 I216 Y220 A221 W224 K236Y214-E218 WeakPolarHBondContact CE2-OE1 3.42Å; Y214-E218 PolarHBondContact OH-OE1 2.84Å; I216-E218 HydrophobicContact CG2-CG 3.96Å; I216-E218 PolarHBondContact O-N 3.4Å; E218-Y220 PolarHBondContact O-N 2.78Å; E218-A221 VanDerWaalsContact O-CB 3.28Å; E218-A221 WeakPolarHBondContact O-CB 3.43Å; E218-A221 PolarHBondContact O-N 3.3Å; E218-A221 VanDerWaalsContact O-N 3.1Å; E218-W224 HydrophobicContact CB-CH2 4.17Å; E218-W224 HydrophobicContact CG-CH2 3.98Å; E218-K236 VanDerWaalsContact CD-NZ 3.31Å; E218-K236 WeakPolarHBondContact OE1-CE 3.35Å; E218-K236 IonicContact OE1-NZ 3.57Å; E218-K236 PolarHBondContact OE1-NZ 3.43Å; E218-K236 WeakPolarHBondContact OE2-CE 3.19Å; E218-K236 IonicContact OE2-NZ 3.38Å; E218-K236 PolarHBondContact OE2-NZ 3.2Å
219G96.4Very high97.1Very high64 Ų6447.2 Ų47.266%0.6628%0.279SS*.G310 helixtrans-62.2-19.2171.400000113.6N217N217-G219 PolarHBondContact O-N 3.31Å; N217-G219 VanDerWaalsContact O-N 3.17Å; N217-G219 WeakPolarHBondContact OD1-CA 3.43Å; N217-G219 PolarHBondContact OD1-N 3.13Å
220Y96.3Very high97.1Very high89 Ų8945.5 Ų45.535%0.34926%0.264SS..G310 helixtrans-93.412175.8-63.6-55.6000114.1N217 E218 S222 L223 W224N217-Y220 HydrophobicContact CB-CD2 3.94Å; N217-Y220 HydrophobicContact CB-CE2 4.23Å; N217-Y220 WeakPolarHBondContact ND2-CE2 3.21Å; N217-Y220 PolarHBondContact O-N 2.89Å; E218-Y220 PolarHBondContact O-N 2.78Å; Y220-S222 PolarHBondContact O-N 3.03Å; Y220-S222 VanDerWaalsContact O-N 3.09Å; Y220-L223 HydrophobicContact CD1-CD1 4.04Å; Y220-L223 WeakPolarHBondContact O-CA 3.21Å; Y220-L223 PolarHBondContact O-N 2.85Å; Y220-W224 VanDerWaalsContact O-CD1 3.25Å; Y220-W224 PolarHBondContact O-N 3.23Å; Y220-W224 PolarHBondContact O-NE1 2.94Å
221A96.4Very high97.1Very high45 Ų4540.5 Ų40.537%0.37225%0.245SC..G310 helixtrans-52.9-35.5-174.500000114.7E218 L223 W224E218-A221 VanDerWaalsContact O-CB 3.28Å; E218-A221 WeakPolarHBondContact O-CB 3.43Å; E218-A221 PolarHBondContact O-N 3.3Å; E218-A221 VanDerWaalsContact O-N 3.1Å; A221-L223 VanDerWaalsContact C-N 3.26Å; A221-L223 PolarHBondContact O-N 2.68Å; A221-W224 HydrophobicContact CB-CD2 4.48Å; A221-W224 HydrophobicContact CB-CE3 4.07Å; A221-W224 HydrophobicContact CB-CH2 4Å; A221-W224 HydrophobicContact CB-CZ2 4.42Å; A221-W224 HydrophobicContact CB-CZ3 3.81Å
222S95.8Very high97.1Very high99 Ų9940.2 Ų40.269%0.69224%0.24SC*.G310 helixtrans-73.8-14.1177.759.30000114.3Y220Y220-S222 PolarHBondContact O-N 3.03Å; Y220-S222 VanDerWaalsContact O-N 3.09Å
223L95.7Very high97.1Very high32 Ų3240.9 Ų40.917%0.16824%0.236CC..G310 helixtrans-108.8-7.1-174.9-55.9-176.9000113.7Y220 A221 T271 K272Y220-L223 HydrophobicContact CD1-CD1 4.04Å; Y220-L223 WeakPolarHBondContact O-CA 3.21Å; Y220-L223 PolarHBondContact O-N 2.85Å; A221-L223 VanDerWaalsContact C-N 3.26Å; A221-L223 PolarHBondContact O-N 2.68Å; L223-T271 HydrophobicContact CB-CG2 4.32Å; L223-K272 PolarHBondContact O-N 3.16Å
224W95.1Very high97.1Very high17 Ų1742.9 Ų42.96%0.06425%0.245CC..SBendtrans-67.3156.8176.1-62.6-22.1000111.7I216 N217 E218 Y220 A221 I228 I232I216-W224 HydrophobicContact CD1-CD2 4.45Å; I216-W224 HydrophobicContact CD1-CH2 4.14Å; I216-W224 HydrophobicContact CD1-CZ2 3.51Å; I216-W224 HydrophobicContact CG1-CZ2 3.88Å; I216-W224 HydrophobicContact CG2-CH2 4.36Å; I216-W224 HydrophobicContact CG2-CZ2 4.32Å; N217-W224 WeakPolarHBondContact O-CZ2 3.28Å; E218-W224 HydrophobicContact CB-CH2 4.17Å; E218-W224 HydrophobicContact CG-CH2 3.98Å; Y220-W224 VanDerWaalsContact O-CD1 3.25Å; Y220-W224 PolarHBondContact O-N 3.23Å; Y220-W224 PolarHBondContact O-NE1 2.94Å; A221-W224 HydrophobicContact CB-CD2 4.48Å; A221-W224 HydrophobicContact CB-CE3 4.07Å; A221-W224 HydrophobicContact CB-CH2 4Å; A221-W224 HydrophobicContact CB-CZ2 4.42Å; A221-W224 HydrophobicContact CB-CZ3 3.81Å; W224-I228 HydrophobicContact CB-CB 4.18Å; W224-I228 HydrophobicContact CB-CG2 4.1Å; W224-I228 HydrophobicContact CD2-CG2 3.8Å; W224-I228 HydrophobicContact CE3-CG2 4.02Å; W224-I228 HydrophobicContact CG-CB 4.47Å; W224-I228 HydrophobicContact CG-CG2 3.85Å; W224-I232 HydrophobicContact CH2-CG1 4.35Å; W224-I232 HydrophobicContact CZ3-CB 4.28Å; W224-I232 HydrophobicContact CZ3-CG1 4.1Å; W224-I232 HydrophobicContact CZ3-CG2 4.3Å
225D93.3Very high97Very high64 Ų6442.7 Ų42.734%0.34225%0.245SC..  trans-69.5167.4162.966.253.6000111.1A227 I228 T229D225-A227 VanDerWaalsContact C-N 3.3Å; D225-A227 PolarHBondContact O-N 2.93Å; D225-A227 WeakPolarHBondContact OD1-CA 3.4Å; D225-A227 WeakPolarHBondContact OD1-CB 3.4Å; D225-A227 PolarHBondContact OD1-N 3.38Å; D225-I228 VanDerWaalsContact OD1-CG1 3.28Å; D225-I228 WeakPolarHBondContact OD1-CG1 3.19Å; D225-I228 PolarHBondContact OD1-N 3.46Å; D225-I228 WeakPolarHBondContact OD2-CG1 3.35Å; D225-T229 PolarHBondContact O-N 3.15Å; D225-T229 VanDerWaalsContact O-N 3.15Å; D225-T229 PolarHBondContact O-OG1 2.91Å
226S95.6Very high97Very high66 Ų6646.2 Ų46.246%0.46226%0.26SS..Hα-helixtrans-67.5-28.9-178.6-60.10000113.2T229 E230 F338S226-T229 PolarHBondContact O-N 3.07Å; S226-E230 WeakPolarHBondContact O-CB 3.36Å; S226-E230 PolarHBondContact O-N 3.21Å; S226-F338 VanDerWaalsContact CB-CE1 3.44Å
227A96.9Very high97Very high5 Ų552.8 Ų52.84%0.04129%0.289CS..Hα-helixtrans-69.8-44-179.900000111.8D225 E230 Y231 I334 I335 F338D225-A227 VanDerWaalsContact C-N 3.3Å; D225-A227 PolarHBondContact O-N 2.93Å; D225-A227 WeakPolarHBondContact OD1-CA 3.4Å; D225-A227 WeakPolarHBondContact OD1-CB 3.4Å; D225-A227 PolarHBondContact OD1-N 3.38Å; A227-E230 PolarHBondContact O-N 3.1Å; A227-Y231 WeakPolarHBondContact O-CB 3.37Å; A227-Y231 PolarHBondContact O-N 3.06Å; A227-I334 HydrophobicContact CB-CG2 4.12Å; A227-I334 WeakPolarHBondContact O-CG2 3.5Å; A227-I335 HydrophobicContact CB-CB 4.43Å; A227-I335 HydrophobicContact CB-CG1 3.92Å; A227-F338 HydrophobicContact CB-CB 4.09Å; A227-F338 HydrophobicContact CB-CD2 3.89Å; A227-F338 HydrophobicContact CB-CG 4.12Å
228I97.3Very high97Very high0 Ų052.2 Ų52.20%029%0.288CS..Hα-helixtrans-64.8-43.6174.8-61.8-62.9000110.2I216 W224 D225 E230 Y231 I232 L267 P269 F321 L331I216-I228 HydrophobicContact CD1-CG2 3.89Å; W224-I228 HydrophobicContact CB-CB 4.18Å; W224-I228 HydrophobicContact CB-CG2 4.1Å; W224-I228 HydrophobicContact CD2-CG2 3.8Å; W224-I228 HydrophobicContact CE3-CG2 4.02Å; W224-I228 HydrophobicContact CG-CB 4.47Å; W224-I228 HydrophobicContact CG-CG2 3.85Å; D225-I228 VanDerWaalsContact OD1-CG1 3.28Å; D225-I228 WeakPolarHBondContact OD1-CG1 3.19Å; D225-I228 PolarHBondContact OD1-N 3.46Å; D225-I228 WeakPolarHBondContact OD2-CG1 3.35Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 2.8Å; I228-Y231 PolarHBondContact O-N 2.69Å; I228-I232 HydrophobicContact CG2-CG1 4.39Å; I228-I232 WeakPolarHBondContact O-CG1 3.28Å; I228-I232 PolarHBondContact O-N 2.92Å; I228-L267 HydrophobicContact CD1-CD2 4.17Å; I228-P269 HydrophobicContact CD1-CB 4.22Å; I228-P269 HydrophobicContact CG1-CB 3.97Å; I228-P269 HydrophobicContact CG1-CG 4.44Å; I228-P269 HydrophobicContact CG2-CG 4.32Å; I228-F321 HydrophobicContact CD1-CD1 4.36Å; I228-F321 HydrophobicContact CD1-CE1 3.43Å; I228-F321 VanDerWaalsContact CD1-CE1 3.43Å; I228-F321 HydrophobicContact CD1-CZ 3.67Å; I228-L331 HydrophobicContact CD1-CD1 3.92Å
229T97.5Very high96.8Very high66 Ų6659 Ų5941%0.40532%0.32SS..Hα-helixtrans-56.9-47175.8-56.90000111D225 S226 R233D225-T229 PolarHBondContact O-N 3.15Å; D225-T229 VanDerWaalsContact O-N 3.15Å; D225-T229 PolarHBondContact O-OG1 2.91Å; S226-T229 PolarHBondContact O-N 3.07Å; T229-R233 WeakPolarHBondContact O-CB 3.26Å; T229-R233 PolarHBondContact O-N 3.27Å
230E97.9Very high96.6Very high49 Ų4960.8 Ų60.823%0.22932%0.322CS..Hα-helixtrans-65.8-43.5178.117960.7-175.600112.2S226 A227 I228 I232 R233 M234 I334 F338S226-E230 WeakPolarHBondContact O-CB 3.36Å; S226-E230 PolarHBondContact O-N 3.21Å; A227-E230 PolarHBondContact O-N 3.1Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 2.8Å; E230-I232 PolarHBondContact O-N 3.05Å; E230-R233 WeakPolarHBondContact O-CB 3.11Å; E230-R233 PolarHBondContact O-N 3.18Å; E230-R233 IonicContact OE1-CZ 3.48Å; E230-R233 IonicContact OE1-NE 2.59Å; E230-R233 IonicContact OE1-NH2 2.79Å; E230-R233 PolarHBondContact OE1-NH2 3.15Å; E230-R233 IonicContact OE2-CZ 3.53Å; E230-R233 IonicContact OE2-NE 2.77Å; E230-R233 PolarHBondContact OE2-NE 3.49Å; E230-R233 IonicContact OE2-NH2 3.31Å; E230-R233 PolarHBondContact OE2-NH2 3.43Å; E230-M234 HydrophobicContact CG-SD 4.17Å; E230-M234 WeakPolarHBondContact O-CG 3.36Å; E230-M234 PolarHBondContact O-N 3.34Å; E230-I334 HydrophobicContact CB-CG2 4.25Å; E230-I334 HydrophobicContact CG-CG2 4.23Å; E230-F338 HydrophobicContact CB-CE2 3.79Å; E230-F338 HydrophobicContact CB-CZ 3.96Å; E230-F338 HydrophobicContact CG-CE2 4Å; E230-F338 HydrophobicContact CG-CZ 4.3Å
231Y98.3Very high96.4Very high0 Ų060 Ų600%034%0.341CS..Hα-helixtrans-58.8-49.1177.9-177.3-109.5000111.7A227 I228 R233 M234 K235 I265 L267 D327 E330 L331 I334A227-Y231 WeakPolarHBondContact O-CB 3.37Å; A227-Y231 PolarHBondContact O-N 3.06Å; I228-Y231 PolarHBondContact O-N 2.69Å; Y231-R233 VanDerWaalsContact C-N 3.32Å; Y231-R233 PolarHBondContact O-N 2.9Å; Y231-M234 WeakPolarHBondContact O-CB 3.32Å; Y231-M234 PolarHBondContact O-N 3.13Å; Y231-K235 HydrophobicContact CD1-CG 4.41Å; Y231-K235 HydrophobicContact CE1-CD 4.4Å; Y231-K235 HydrophobicContact CE1-CG 4.08Å; Y231-K235 HydrophobicContact CE2-CD 4.34Å; Y231-K235 VanDerWaalsContact CE2-CE 3.46Å; Y231-K235 WeakPolarHBondContact O-CG 3.4Å; Y231-K235 PolarHBondContact O-N 2.75Å; Y231-I265 HydrophobicContact CE1-CD1 3.99Å; Y231-I265 HydrophobicContact CE1-CG2 4.08Å; Y231-L267 HydrophobicContact CD1-CD2 3.93Å; Y231-L267 HydrophobicContact CE1-CD1 4.49Å; Y231-L267 HydrophobicContact CE1-CD2 4.09Å; Y231-D327 PolarHBondContact OH-O 3.22Å; Y231-E330 HydrophobicContact CE2-CB 4.36Å; Y231-E330 HydrophobicContact CE2-CG 4.14Å; Y231-L331 HydrophobicContact CD1-CD1 3.99Å; Y231-L331 HydrophobicContact CD2-CB 4.12Å; Y231-L331 HydrophobicContact CD2-CD1 4.15Å; Y231-L331 HydrophobicContact CE2-CB 3.97Å; Y231-L331 HydrophobicContact CG-CB 4.43Å; Y231-L331 HydrophobicContact CG-CD1 3.72Å; Y231-I334 HydrophobicContact CD2-CD1 3.61Å; Y231-I334 HydrophobicContact CG-CD1 4.4Å
232I98.4Very high96.4Very high4 Ų466.7 Ų66.72%0.02136%0.362CS..Hα-helixtrans-64.4-38178.3-61.8-56.5000111.2Y214 I216 W224 I228 E230 M234 K235 K236Y214-I232 HydrophobicContact CD2-CD1 3.78Å; Y214-I232 HydrophobicContact CE2-CD1 4.15Å; Y214-I232 HydrophobicContact CE2-CG2 4.32Å; Y214-I232 HydrophobicContact CG-CD1 4.38Å; I216-I232 HydrophobicContact CD1-CD1 4.44Å; I216-I232 HydrophobicContact CD1-CG1 4.45Å; I216-I232 HydrophobicContact CG2-CD1 3.89Å; I216-I232 HydrophobicContact CG2-CG1 4.47Å; W224-I232 HydrophobicContact CH2-CG1 4.35Å; W224-I232 HydrophobicContact CZ3-CB 4.28Å; W224-I232 HydrophobicContact CZ3-CG1 4.1Å; W224-I232 HydrophobicContact CZ3-CG2 4.3Å; I228-I232 HydrophobicContact CG2-CG1 4.39Å; I228-I232 WeakPolarHBondContact O-CG1 3.28Å; I228-I232 PolarHBondContact O-N 2.92Å; E230-I232 PolarHBondContact O-N 3.05Å; I232-M234 VanDerWaalsContact C-N 3.35Å; I232-M234 PolarHBondContact O-N 2.89Å; I232-K235 PolarHBondContact O-N 3.29Å; I232-K236 HydrophobicContact CG2-CD 4.29Å; I232-K236 WeakPolarHBondContact O-CG 3.28Å; I232-K236 PolarHBondContact O-N 2.86Å; I232-K236 VanDerWaalsContact O-N 3.11Å
233R98.2Very high96.5Very high109 Ų10965.6 Ų65.641%0.41135%0.352SS..Hα-helixtrans-57.9-46.8173-170-164.369.474.41.1111.2T229 E230 Y231 K235 K236 F237T229-R233 WeakPolarHBondContact O-CB 3.26Å; T229-R233 PolarHBondContact O-N 3.27Å; E230-R233 WeakPolarHBondContact O-CB 3.11Å; E230-R233 PolarHBondContact O-N 3.18Å; E230-R233 IonicContact OE1-CZ 3.48Å; E230-R233 IonicContact OE1-NE 2.59Å; E230-R233 IonicContact OE1-NH2 2.79Å; E230-R233 PolarHBondContact OE1-NH2 3.15Å; E230-R233 IonicContact OE2-CZ 3.53Å; E230-R233 IonicContact OE2-NE 2.77Å; E230-R233 PolarHBondContact OE2-NE 3.49Å; E230-R233 IonicContact OE2-NH2 3.31Å; E230-R233 PolarHBondContact OE2-NH2 3.43Å; Y231-R233 VanDerWaalsContact C-N 3.32Å; Y231-R233 PolarHBondContact O-N 2.9Å; R233-K235 VanDerWaalsContact C-N 3.33Å; R233-K235 PolarHBondContact O-N 3.06Å; R233-K236 PolarHBondContact O-N 3.13Å; R233-F237 HydrophobicContact CG-CD2 4.24Å; R233-F237 PolarHBondContact O-N 3.24Å
234M97.9Very high96.7Very high59 Ų5965.8 Ų65.829%0.29135%0.351SS..Hα-helixtrans-63.4-35.3178.2-69.9173.763.100112.7E230 Y231 I232 F237 P238 I334E230-M234 HydrophobicContact CG-SD 4.17Å; E230-M234 WeakPolarHBondContact O-CG 3.36Å; E230-M234 PolarHBondContact O-N 3.34Å; Y231-M234 WeakPolarHBondContact O-CB 3.32Å; Y231-M234 PolarHBondContact O-N 3.13Å; I232-M234 VanDerWaalsContact C-N 3.35Å; I232-M234 PolarHBondContact O-N 2.89Å; M234-F237 CarbonylContact O-C 3.52Å; M234-P238 VanDerWaalsContact O-CA 3.3Å; M234-P238 WeakPolarHBondContact O-CA 3.4Å; M234-I334 HydrophobicContact CE-CD1 4.21Å; M234-I334 HydrophobicContact SD-CD1 3.61Å; M234-I334 HydrophobicContact SD-CG1 4.33Å
235K98.3Very high96.8Very high7 Ų767.5 Ų67.53%0.0337%0.366CS..Hα-helixtrans-68.2-33.4175.4-65-57118.9169.90112.9Y214 Y231 I232 R233 P243 Y244 E330Y214-K235 HydrophobicContact CD1-CB 4.02Å; Y214-K235 HydrophobicContact CE1-CB 4.35Å; Y231-K235 HydrophobicContact CD1-CG 4.41Å; Y231-K235 HydrophobicContact CE1-CD 4.4Å; Y231-K235 HydrophobicContact CE1-CG 4.08Å; Y231-K235 HydrophobicContact CE2-CD 4.34Å; Y231-K235 VanDerWaalsContact CE2-CE 3.46Å; Y231-K235 WeakPolarHBondContact O-CG 3.4Å; Y231-K235 PolarHBondContact O-N 2.75Å; I232-K235 PolarHBondContact O-N 3.29Å; R233-K235 VanDerWaalsContact C-N 3.33Å; R233-K235 PolarHBondContact O-N 3.06Å; K235-P243 WeakPolarHBondContact O-CA 3.49Å; K235-Y244 HydrophobicContact CB-CG 4.41Å; K235-Y244 HydrophobicContact CD-CD1 4Å; K235-Y244 HydrophobicContact CD-CD2 3.54Å; K235-Y244 HydrophobicContact CD-CE1 4.1Å; K235-Y244 HydrophobicContact CD-CE2 3.66Å; K235-Y244 HydrophobicContact CD-CG 3.73Å; K235-Y244 HydrophobicContact CG-CD2 4.41Å; K235-Y244 HydrophobicContact CG-CG 4.47Å; K235-Y244 PolarHBondContact O-N 2.8Å; K235-E330 VanDerWaalsContact CE-OE1 3.28Å; K235-E330 WeakPolarHBondContact CE-OE1 3.45Å; K235-E330 IonicContact NZ-OE1 3.59Å; K235-E330 PolarHBondContact NZ-OE1 3.18Å; K235-E330 IonicContact NZ-OE2 2.74Å; K235-E330 PolarHBondContact NZ-OE2 3.17Å
236K98.3Very high97.1Very high74 Ų7466.7 Ų66.732%0.32237%0.368SS..Hα-helixtrans-81.2-38.4178.3-70.3178178.4-177.50113.3Y214 E218 I232 R233 P238 P243Y214-K236 WeakPolarHBondContact OH-CE 3.26Å; E218-K236 VanDerWaalsContact CD-NZ 3.31Å; E218-K236 WeakPolarHBondContact OE1-CE 3.35Å; E218-K236 IonicContact OE1-NZ 3.57Å; E218-K236 PolarHBondContact OE1-NZ 3.43Å; E218-K236 WeakPolarHBondContact OE2-CE 3.19Å; E218-K236 IonicContact OE2-NZ 3.38Å; E218-K236 PolarHBondContact OE2-NZ 3.2Å; I232-K236 HydrophobicContact CG2-CD 4.29Å; I232-K236 WeakPolarHBondContact O-CG 3.28Å; I232-K236 PolarHBondContact O-N 2.86Å; I232-K236 VanDerWaalsContact O-N 3.11Å; R233-K236 PolarHBondContact O-N 3.13Å; K236-P238 VanDerWaalsContact C-CD 3.46Å; K236-P238 WeakPolarHBondContact O-CD 3.26Å; K236-P243 WeakPolarHBondContact O-CG 3.46Å
237F98.1Very high97.2Very high145 Ų14569.8 Ų69.864%0.63637%0.37SS*.SBendtrans-125.966.5-176.2-55.1-79.9000110.2R233 M234R233-F237 HydrophobicContact CG-CD2 4.24Å; R233-F237 PolarHBondContact O-N 3.24Å; M234-F237 CarbonylContact O-C 3.52Å
238P96.8Very high97.3Very high42 Ų4273.6 Ų73.627%0.27338%0.383SS..  trans-69.5144.1-177.831.8-36.8000110.7M234 K236 S240 P243M234-P238 VanDerWaalsContact O-CA 3.3Å; M234-P238 WeakPolarHBondContact O-CA 3.4Å; K236-P238 VanDerWaalsContact C-CD 3.46Å; K236-P238 WeakPolarHBondContact O-CD 3.26Å; P238-S240 WeakPolarHBondContact CB-O 3.44Å; P238-S240 PolarHBondContact O-N 3.31Å; P238-P243 HydrophobicContact CG-CG 4.41Å
239E94.4Very high97.2Very high202 Ų20276.6 Ų76.694%0.94440%0.404SS*.SBendtrans-64.7-26.8174.8-65-179.1175.200112.1
240S92.1Very high97.2Very high103 Ų10374.6 Ų74.672%0.7240%0.396SS*.SBendtrans-145.6151.6175.464.60000111.8P238P238-S240 WeakPolarHBondContact CB-O 3.44Å; P238-S240 PolarHBondContact O-N 3.31Å
241G92.9Very high97.1Very high72 Ų7272.4 Ų72.474%0.74239%0.386SS*.SBendtrans81.9-165.2179.700000114
242K96.6Very high97.1Very high185 Ų18572.8 Ų72.880%0.80439%0.388SS*.PPolyproline II helixtrans-92.5146.6-179.8-67.4-176.6-180-179.80110.4
243P97.8Very high97.1Very high76 Ų7672.6 Ų72.649%0.49439%0.387SS..PPolyproline II helixtrans-53.8148.8167.3-24.533.9000111.6K235 K236 P238K235-P243 WeakPolarHBondContact O-CA 3.49Å; K236-P243 WeakPolarHBondContact O-CG 3.46Å; P238-P243 HydrophobicContact CG-CG 4.41Å
244Y98.4Very high97.1Very high37 Ų3767.8 Ų67.815%0.14537%0.371CS..PPolyproline II helixtrans-72.5147.4172.4-80.136000109.8R210 G211 N212 K235 D327R210-Y244 PolarHBondContact NH1-OH 2.74Å; G211-Y244 PolarHBondContact O-OH 3.03Å; N212-Y244 WeakPolarHBondContact O-CA 3.38Å; K235-Y244 HydrophobicContact CB-CG 4.41Å; K235-Y244 HydrophobicContact CD-CD1 4Å; K235-Y244 HydrophobicContact CD-CD2 3.54Å; K235-Y244 HydrophobicContact CD-CE1 4.1Å; K235-Y244 HydrophobicContact CD-CE2 3.66Å; K235-Y244 HydrophobicContact CD-CG 3.73Å; K235-Y244 HydrophobicContact CG-CD2 4.41Å; K235-Y244 HydrophobicContact CG-CG 4.47Å; K235-Y244 PolarHBondContact O-N 2.8Å; Y244-D327 VanDerWaalsContact CE2-OD1 3.26Å; Y244-D327 WeakPolarHBondContact CE2-OD1 3.36Å; Y244-D327 PolarHBondContact OH-OD1 3.11Å
245S98.4Very high97.1Very high53 Ų5365 Ų6537%0.37136%0.357SS..EExtended strand (participates in β ladder)trans-75.2131.1171.2-70.50000110.6N212 I213 Y214N212-S245 PolarHBondContact O-N 3.45Å; I213-S245 VanDerWaalsContact CA-O 3.27Å; I213-S245 WeakPolarHBondContact CA-O 3.16Å; Y214-S245 PolarHBondContact N-O 2.77Å
246A98.7Very high97.1Very high47 Ų4764.7 Ų64.739%0.38836%0.356SS..EExtended strand (participates in β ladder)trans-78.1131.9168.200000110Y214Y214-A246 HydrophobicContact CE1-CB 3.87Å; Y214-A246 HydrophobicContact CE2-CB 4Å; Y214-A246 WeakPolarHBondContact OH-CB 3.28Å
247R98.6Very high97.2Very high131 Ų13162.2 Ų62.249%0.49435%0.345SS..  trans-142126.3169.3-68-66.1-177.9-84.60.4108.6I213 Y214 S215 R258I213-R247 HydrophobicContact CG2-CB 3.86Å; I213-R247 HydrophobicContact CG2-CG 3.9Å; Y214-R247 PolarHBondContact O-N 3.38Å; S215-R247 WeakPolarHBondContact CA-O 3.45Å; S215-R247 WeakPolarHBondContact CB-O 3.37Å; S215-R247 PolarHBondContact OG-O 2.82Å; R247-R258 VanDerWaalsContact CB-CZ 3.48Å; R247-R258 PolarHBondContact O-NH2 3.07Å
248Y98Very high97.2Very high85 Ų8556.7 Ų56.733%0.33332%0.32SS..  trans-146.5107175.8-172.8-104.5000108.6I216 N217 F266I216-Y248 VanDerWaalsContact C-CD2 3.44Å; N217-Y248 HydrophobicContact CB-CD1 4.34Å; N217-Y248 HydrophobicContact CB-CE1 3.71Å; N217-Y248 HydrophobicContact CB-CE2 4.21Å; Y248-F266 HydrophobicContact CE2-CE2 4.42Å
249C96.4Very high97.3Very high63 Ų6354.8 Ų54.843%0.42631%0.308SS..  trans-81.8-23.3179.7-70.20000111.8N127 S251 A254 D255 R258N127-C249 PolarHBondContact ND2-O 2.92Å; C249-S251 VanDerWaalsContact C-N 3.3Å; C249-A254 HydrophobicContact CB-CB 3.93Å; C249-D255 WeakPolarHBondContact CB-OD1 3.31Å; C249-D255 VanDerWaalsContact N-CG 3.34Å; C249-D255 PolarHBondContact N-OD1 2.83Å; C249-D255 PolarHBondContact N-OD2 3.41Å; C249-R258 PolarHBondContact SG-NH1 2.93Å
250G95.9Very high97.5Very high24 Ų2445.1 Ų45.125%0.24726%0.263CS..SBendtrans81.57.6-178.300000114.5D255G250-D255 PolarHBondContact N-OD2 3.05Å; G250-D255 VanDerWaalsContact N-OD2 3.12Å
251S96.5Very high97.8Very high2 Ų242.7 Ų42.71%0.01424%0.241CC..  trans-118.2130.1165.2150.90000107.5D123 N127 S133 C249 V253 A254 D255D123-S251 PolarHBondContact OD2-OG 3.35Å; N127-S251 PolarHBondContact ND2-N 2.6Å; S133-S251 WeakPolarHBondContact O-CB 3.46Å; S133-S251 PolarHBondContact O-OG 3.39Å; C249-S251 VanDerWaalsContact C-N 3.3Å; S251-V253 VanDerWaalsContact C-N 3.31Å; S251-V253 PolarHBondContact O-N 2.75Å; S251-V253 PolarHBondContact OG-N 3.48Å; S251-A254 PolarHBondContact O-N 3.14Å; S251-A254 PolarHBondContact OG-N 2.89Å; S251-D255 PolarHBondContact O-N 3.16Å
252M97.9Very high98.1Very high8 Ų845.8 Ų45.84%0.03923%0.231CC..Hα-helixtrans-60.1-45.6-179.4-172.2-170.6-171.400110.2D123 I137 A254 D255 V256 F266 L279 E284 M288 I320 L322D123-M252 WeakPolarHBondContact OD1-CB 3.47Å; D123-M252 PolarHBondContact OD1-N 2.84Å; D123-M252 PolarHBondContact OD2-N 2.98Å; I137-M252 HydrophobicContact CD1-SD 4.29Å; M252-A254 VanDerWaalsContact C-N 3.34Å; M252-A254 PolarHBondContact O-N 3.19Å; M252-D255 PolarHBondContact O-N 3.12Å; M252-V256 HydrophobicContact CE-CG2 4.38Å; M252-V256 HydrophobicContact CG-CG2 3.9Å; M252-V256 VanDerWaalsContact O-CB 3.28Å; M252-V256 WeakPolarHBondContact O-CB 3.47Å; M252-V256 WeakPolarHBondContact O-CG2 3.43Å; M252-V256 PolarHBondContact O-N 3.35Å; M252-F266 HydrophobicContact CE-CE1 4.44Å; M252-F266 HydrophobicContact CG-CE1 4.3Å; M252-F266 HydrophobicContact CG-CZ 4.18Å; M252-L279 HydrophobicContact CE-CD1 3.91Å; M252-L279 HydrophobicContact CG-CD1 4.33Å; M252-L279 HydrophobicContact SD-CD1 3.89Å; M252-E284 HydrophobicContact SD-CB 3.78Å; M252-M288 HydrophobicContact CE-CB 3.77Å; M252-M288 HydrophobicContact CE-CG 3.56Å; M252-M288 HydrophobicContact SD-CG 4.02Å; M252-I320 HydrophobicContact CE-CD1 4.21Å; M252-L322 HydrophobicContact CE-CD2 4.45Å
253V98.2Very high98.2Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-58-46.2179.9176.40000111.1D123 I137 Y169 L171 S251 H257 M288D123-V253 HydrophobicContact CB-CG2 3.7Å; D123-V253 WeakPolarHBondContact OD2-CB 3.39Å; D123-V253 VanDerWaalsContact OD2-CG2 3.28Å; D123-V253 WeakPolarHBondContact OD2-CG2 3.38Å; D123-V253 PolarHBondContact OD2-N 2.7Å; I137-V253 HydrophobicContact CD1-CG2 3.82Å; I137-V253 HydrophobicContact CG1-CG2 3.51Å; Y169-V253 HydrophobicContact CD2-CG1 3.61Å; Y169-V253 HydrophobicContact CE2-CG1 4.25Å; Y169-V253 HydrophobicContact CG-CG1 4.2Å; L171-V253 HydrophobicContact CB-CG1 3.94Å; L171-V253 HydrophobicContact CD1-CG1 4.02Å; S251-V253 VanDerWaalsContact C-N 3.31Å; S251-V253 PolarHBondContact O-N 2.75Å; S251-V253 PolarHBondContact OG-N 3.48Å; V253-H257 WeakPolarHBondContact O-CB 3.47Å; V253-H257 PolarHBondContact O-N 2.88Å; V253-M288 HydrophobicContact CB-CE 4.26Å; V253-M288 HydrophobicContact CG2-CE 3.61Å
254A98.4Very high98.2Very high9 Ų933.3 Ų33.37%0.07417%0.169CC..Hα-helixtrans-66.2-43-179.700000112.6L171 C249 S251 M252 R258L171-A254 HydrophobicContact CD1-CB 4.25Å; C249-A254 HydrophobicContact CB-CB 3.93Å; S251-A254 PolarHBondContact O-N 3.14Å; S251-A254 PolarHBondContact OG-N 2.89Å; M252-A254 VanDerWaalsContact C-N 3.34Å; M252-A254 PolarHBondContact O-N 3.19Å; A254-R258 PolarHBondContact O-N 3.47Å; A254-R258 VanDerWaalsContact O-N 3.16Å
255D98.7Very high98.2Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-71.3-40.3-179.4-74-40.5000112.5S215 C249 G250 S251 M252 R258 T259 F266S215-D255 PolarHBondContact OG-OD1 3.35Å; C249-D255 WeakPolarHBondContact CB-OD1 3.31Å; C249-D255 VanDerWaalsContact N-CG 3.34Å; C249-D255 PolarHBondContact N-OD1 2.83Å; C249-D255 PolarHBondContact N-OD2 3.41Å; G250-D255 PolarHBondContact N-OD2 3.05Å; G250-D255 VanDerWaalsContact N-OD2 3.12Å; S251-D255 PolarHBondContact O-N 3.16Å; M252-D255 PolarHBondContact O-N 3.12Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NH1 3.23Å; D255-R258 PolarHBondContact OD1-NH1 3.01Å; D255-R258 IonicContact OD1-NH2 3.41Å; D255-R258 PolarHBondContact OD1-NH2 3.03Å; D255-T259 WeakPolarHBondContact O-CB 3.4Å; D255-T259 PolarHBondContact O-N 3Å; D255-T259 PolarHBondContact O-OG1 3.28Å; D255-F266 HydrophobicContact CB-CD2 3.71Å; D255-F266 HydrophobicContact CB-CE2 3.83Å
256V98.7Very high98.2Very high0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-69.4-41.2175.7174.50000111.1M252 R258 T259 L260 F266 M288 I292 L322M252-V256 HydrophobicContact CE-CG2 4.38Å; M252-V256 HydrophobicContact CG-CG2 3.9Å; M252-V256 VanDerWaalsContact O-CB 3.28Å; M252-V256 WeakPolarHBondContact O-CB 3.47Å; M252-V256 WeakPolarHBondContact O-CG2 3.43Å; M252-V256 PolarHBondContact O-N 3.35Å; V256-R258 PolarHBondContact O-N 2.81Å; V256-T259 WeakPolarHBondContact O-CB 3.28Å; V256-T259 PolarHBondContact O-N 3.35Å; V256-T259 VanDerWaalsContact O-N 3.14Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.3Å; V256-F266 HydrophobicContact CG2-CD1 4.27Å; V256-F266 HydrophobicContact CG2-CG 4.35Å; V256-M288 HydrophobicContact CB-SD 4.02Å; V256-M288 HydrophobicContact CG1-CB 4.42Å; V256-M288 HydrophobicContact CG1-CG 4.44Å; V256-M288 HydrophobicContact CG1-SD 3.6Å; V256-M288 HydrophobicContact CG2-CG 4.47Å; V256-M288 HydrophobicContact CG2-SD 4.32Å; V256-I292 HydrophobicContact CG1-CD1 4.26Å; V256-I292 HydrophobicContact CG1-CG1 4.39Å; V256-L322 HydrophobicContact CG1-CD1 4.11Å; V256-L322 HydrophobicContact CG2-CD1 4.04Å; V256-L322 HydrophobicContact CG2-CD2 3.97Å; V256-L322 HydrophobicContact CG2-CG 4.48Å
257H98.8Very high98.2Very high22 Ų2227 Ų2710%0.10213%0.127CC..Hα-helixtrans-60.3-45.1177-176.370.9000112Y169 L171 M177 V253 T259 L260 L261Y169-H257 HydrophobicContact CE2-CB 3.98Å; Y169-H257 AromaticContact CE2-ND1 3.61Å; Y169-H257 AromaticContact CZ-ND1 3.8Å; Y169-H257 PolarHBondContact OH-ND1 3.03Å; L171-H257 HydrophobicContact CD2-CB 4.17Å; L171-H257 VanDerWaalsContact CD2-CD2 3.43Å; L171-H257 WeakPolarHBondContact CD2-CD2 3.43Å; M177-H257 PolarHBondContact SD-CE1 3.44Å; V253-H257 WeakPolarHBondContact O-CB 3.47Å; V253-H257 PolarHBondContact O-N 2.88Å; H257-T259 VanDerWaalsContact C-N 3.33Å; H257-T259 PolarHBondContact O-N 2.67Å; H257-L260 WeakPolarHBondContact O-CB 3.32Å; H257-L260 PolarHBondContact O-N 3.23Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.45Å; H257-L261 PolarHBondContact O-N 3.48Å; H257-L261 VanDerWaalsContact O-N 3.11Å
258R98.7Very high98.2Very high30 Ų3022.1 Ų22.111%0.11311%0.109CC..Hα-helixtrans-61.6-42.8173.7-176.7-176.662.6-102.90.6111.5S215 R247 C249 A254 D255 V256 L260 L261 Y262S215-R258 PolarHBondContact OG-NH2 3.12Å; R247-R258 VanDerWaalsContact CB-CZ 3.48Å; R247-R258 PolarHBondContact O-NH2 3.07Å; C249-R258 PolarHBondContact SG-NH1 2.93Å; A254-R258 PolarHBondContact O-N 3.47Å; A254-R258 VanDerWaalsContact O-N 3.16Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NH1 3.23Å; D255-R258 PolarHBondContact OD1-NH1 3.01Å; D255-R258 IonicContact OD1-NH2 3.41Å; D255-R258 PolarHBondContact OD1-NH2 3.03Å; V256-R258 PolarHBondContact O-N 2.81Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 2.77Å; R258-L261 PolarHBondContact O-N 3.49Å; R258-Y262 HydrophobicContact CG-CD2 3.61Å; R258-Y262 HydrophobicContact CG-CE2 4.14Å; R258-Y262 HydrophobicContact CG-CG 4.38Å; R258-Y262 WeakPolarHBondContact O-CB 3.26Å; R258-Y262 PolarHBondContact O-N 2.99Å
259T98.8Very high98.2Very high1 Ų118.4 Ų18.41%0.00610%0.095CC..Hα-helixtrans-60.9-42.5177.7-58.90000111.2I207 D255 V256 H257 G263 L322I207-T259 HydrophobicContact CD1-CG2 4.24Å; I207-T259 WeakPolarHBondContact CD1-O 3.42Å; D255-T259 WeakPolarHBondContact O-CB 3.4Å; D255-T259 PolarHBondContact O-N 3Å; D255-T259 PolarHBondContact O-OG1 3.28Å; V256-T259 WeakPolarHBondContact O-CB 3.28Å; V256-T259 PolarHBondContact O-N 3.35Å; V256-T259 VanDerWaalsContact O-N 3.14Å; H257-T259 VanDerWaalsContact C-N 3.33Å; H257-T259 PolarHBondContact O-N 2.67Å; T259-G263 CarbonylContact O-C 3.56Å; T259-G263 WeakPolarHBondContact O-CA 3.39Å; T259-G263 PolarHBondContact O-N 2.67Å; T259-L322 HydrophobicContact CG2-CD1 4.27Å
260L98.8Very high98.1Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-60.4-47.7177.317865.7000112.1Y169 V179 V186 I205 V256 H257 R258 I291 I292 A295Y169-L260 VanDerWaalsContact OH-CD2 3.29Å; Y169-L260 WeakPolarHBondContact OH-CD2 3.43Å; V179-L260 HydrophobicContact CG1-CD2 3.97Å; V186-L260 HydrophobicContact CG1-CD2 4.29Å; I205-L260 HydrophobicContact CD1-CD2 4.33Å; I205-L260 HydrophobicContact CG2-CD1 3.86Å; I205-L260 HydrophobicContact CG2-CD2 3.99Å; I205-L260 HydrophobicContact CG2-CG 3.7Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 3.3Å; H257-L260 WeakPolarHBondContact O-CB 3.32Å; H257-L260 PolarHBondContact O-N 3.23Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 2.77Å; L260-I291 HydrophobicContact CD1-CG2 4.49Å; L260-I291 HydrophobicContact CD2-CG2 4.04Å; L260-I292 HydrophobicContact CB-CD1 4.39Å; L260-I292 HydrophobicContact CD1-CD1 4.3Å; L260-A295 HydrophobicContact CD1-CB 3.42Å; L260-A295 VanDerWaalsContact CD1-CB 3.42Å
261L98.4Very high97.9Very high51 Ų5115.9 Ų15.927%0.2678%0.076SC..Hα-helixtrans-81.5-38.4-175.8-65.5-173.9000113.8I205 H257 R258I205-L261 HydrophobicContact CD1-CD2 4.32Å; I205-L261 HydrophobicContact CG2-CD2 3.98Å; H257-L261 WeakPolarHBondContact NE2-CD1 3.45Å; H257-L261 PolarHBondContact O-N 3.48Å; H257-L261 VanDerWaalsContact O-N 3.11Å; R258-L261 PolarHBondContact O-N 3.49Å
262Y98.6Very high97.5Very high137 Ų13723.4 Ų23.454%0.53711%0.109SC..Hα-helixtrans-98.6-14.3-172.7-62.5-14.4000113.5K208 I213 R258K208-Y262 WeakPolarHBondContact CD-O 3.2Å; K208-Y262 PolarHBondContact NZ-O 3.16Å; K208-Y262 VanDerWaalsContact NZ-O 3.1Å; I213-Y262 HydrophobicContact CD1-CD2 4.43Å; R258-Y262 HydrophobicContact CG-CD2 3.61Å; R258-Y262 HydrophobicContact CG-CE2 4.14Å; R258-Y262 HydrophobicContact CG-CG 4.38Å; R258-Y262 WeakPolarHBondContact O-CB 3.26Å; R258-Y262 PolarHBondContact O-N 2.99Å
263G98.7Very high97Very high0 Ų030 Ų300%014%0.139CC..  trans77.4175.6-167.300000111.9T259 S324T259-G263 CarbonylContact O-C 3.56Å; T259-G263 WeakPolarHBondContact O-CA 3.39Å; T259-G263 PolarHBondContact O-N 2.67Å; G263-S324 WeakPolarHBondContact CA-OG 3.3Å
264G98.7Very high96.7Very high0 Ų032.3 Ų32.30%016%0.155CC..  trans112.6-155.9-179.300000110.6I213 G323 S324I213-G264 VanDerWaalsContact O-CA 3.22Å; I213-G264 WeakPolarHBondContact O-CA 3.32Å; G264-G323 CarbonylContact O-C 3.53Å; G264-G323 WeakPolarHBondContact O-CA 3.35Å; G264-S324 PolarHBondContact N-OG 3.28Å; G264-S324 WeakPolarHBondContact O-CB 3.36Å; G264-S324 PolarHBondContact O-N 3.46Å
265I98.9Very high96.5Very high0 Ų036.6 Ų36.60%018%0.182CC..EExtended strand (participates in β ladder)trans-137.6135.8-173.2-173.6170000111.6I213 Y214 S215 Y231 L267 D327 I328 L331I213-I265 PolarHBondContact O-N 2.8Å; Y214-I265 CarbonylContact C-O 3.53Å; Y214-I265 WeakPolarHBondContact CA-O 3.5Å; S215-I265 PolarHBondContact N-O 3.01Å; Y231-I265 HydrophobicContact CE1-CD1 3.99Å; Y231-I265 HydrophobicContact CE1-CG2 4.08Å; I265-L267 HydrophobicContact CB-CD1 4.35Å; I265-L267 HydrophobicContact CD1-CD1 4.25Å; I265-L267 HydrophobicContact CD1-CD2 4.31Å; I265-L267 HydrophobicContact CD1-CG 4.12Å; I265-L267 HydrophobicContact CG1-CD1 3.88Å; I265-L267 HydrophobicContact CG1-CG 4.02Å; I265-L267 HydrophobicContact CG2-CD1 3.81Å; I265-D327 HydrophobicContact CB-CB 4.13Å; I265-D327 HydrophobicContact CG2-CB 4.49Å; I265-I328 HydrophobicContact CD1-CD1 3.63Å; I265-I328 HydrophobicContact CD1-CG1 4.42Å; I265-I328 HydrophobicContact CG1-CD1 3.88Å; I265-L331 HydrophobicContact CD1-CB 4.33Å; I265-L331 HydrophobicContact CD1-CD2 3.85Å
266F98.9Very high96.3Very high3 Ų343.1 Ų43.11%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-103.4133.2165.8174.4-99.2000109.6Y248 M252 D255 V256 Y268 L279 I320 F321 L322Y248-F266 HydrophobicContact CE2-CE2 4.42Å; M252-F266 HydrophobicContact CE-CE1 4.44Å; M252-F266 HydrophobicContact CG-CE1 4.3Å; M252-F266 HydrophobicContact CG-CZ 4.18Å; D255-F266 HydrophobicContact CB-CD2 3.71Å; D255-F266 HydrophobicContact CB-CE2 3.83Å; V256-F266 HydrophobicContact CG2-CD1 4.27Å; V256-F266 HydrophobicContact CG2-CG 4.35Å; F266-Y268 HydrophobicContact CZ-CD2 4.16Å; F266-L279 HydrophobicContact CE1-CD1 4.01Å; F266-L279 HydrophobicContact CZ-CD1 4.22Å; F266-I320 HydrophobicContact CE1-CG2 4.21Å; F266-F321 WeakPolarHBondContact O-CA 3.34Å; F266-L322 HydrophobicContact CB-CD1 3.92Å; F266-L322 HydrophobicContact CB-CG 4.18Å; F266-L322 HydrophobicContact CD1-CD2 4.37Å; F266-L322 HydrophobicContact CD1-CG 4.11Å; F266-L322 PolarHBondContact N-O 3.42Å; F266-L322 PolarHBondContact O-N 3.18Å
267L98.6Very high96.1Very high1 Ų143.3 Ų43.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-128.3125.7-179.7-53.493.5000110.1S215 I216 I228 Y231 I265 F321 L331S215-L267 PolarHBondContact O-N 2.94Å; I216-L267 HydrophobicContact CB-CB 4.17Å; I216-L267 HydrophobicContact CB-CD1 4.37Å; I216-L267 HydrophobicContact CD1-CB 3.92Å; I216-L267 HydrophobicContact CG1-CB 4.1Å; I228-L267 HydrophobicContact CD1-CD2 4.17Å; Y231-L267 HydrophobicContact CD1-CD2 3.93Å; Y231-L267 HydrophobicContact CE1-CD1 4.49Å; Y231-L267 HydrophobicContact CE1-CD2 4.09Å; I265-L267 HydrophobicContact CB-CD1 4.35Å; I265-L267 HydrophobicContact CD1-CD1 4.25Å; I265-L267 HydrophobicContact CD1-CD2 4.31Å; I265-L267 HydrophobicContact CD1-CG 4.12Å; I265-L267 HydrophobicContact CG1-CD1 3.88Å; I265-L267 HydrophobicContact CG1-CG 4.02Å; I265-L267 HydrophobicContact CG2-CD1 3.81Å; L267-F321 HydrophobicContact CB-CD1 3.88Å; L267-F321 HydrophobicContact CB-CE1 4.22Å; L267-F321 HydrophobicContact CD2-CD1 3.91Å; L267-F321 HydrophobicContact CD2-CE1 4.22Å; L267-F321 HydrophobicContact CG-CD1 3.99Å; L267-L331 HydrophobicContact CD2-CD2 3.87Å
268Y98Very high95.8Very high29 Ų2945.7 Ų45.711%0.11422%0.222CC..EExtended strand (participates in β ladder)trans-130.179.6163.8-149-54.5000108.4F266 K278 L279 P319 I320F266-Y268 HydrophobicContact CZ-CD2 4.16Å; Y268-K278 HydrophobicContact CD1-CB 4.23Å; Y268-K278 HydrophobicContact CE1-CB 3.39Å; Y268-K278 HydrophobicContact CE2-CB 4.5Å; Y268-K278 WeakPolarHBondContact OH-CD 3.48Å; Y268-L279 HydrophobicContact CD1-CG 4.45Å; Y268-L279 HydrophobicContact CD2-CD1 3.73Å; Y268-L279 HydrophobicContact CD2-CD2 3.92Å; Y268-L279 HydrophobicContact CD2-CG 3.83Å; Y268-L279 HydrophobicContact CE2-CD2 3.98Å; Y268-L279 HydrophobicContact CE2-CG 4.31Å; Y268-L279 HydrophobicContact CG-CD1 3.86Å; Y268-L279 HydrophobicContact CG-CD2 4.47Å; Y268-L279 HydrophobicContact CG-CG 3.91Å; Y268-P319 WeakPolarHBondContact O-CA 3.42Å; Y268-I320 PolarHBondContact N-O 2.77Å; Y268-I320 PolarHBondContact O-N 2.94Å
269P97.4Very high95.7Very high6 Ų644.7 Ų44.74%0.03922%0.22CC..  trans-67.6164-177.829.9-36.1000111.9I216 I228 F321I216-P269 HydrophobicContact CD1-CG 4.24Å; I228-P269 HydrophobicContact CD1-CB 4.22Å; I228-P269 HydrophobicContact CG1-CB 3.97Å; I228-P269 HydrophobicContact CG1-CG 4.44Å; I228-P269 HydrophobicContact CG2-CG 4.32Å; P269-F321 HydrophobicContact CB-CE1 3.79Å; P269-F321 HydrophobicContact CB-CZ 3.85Å
270G94.8Very high95.7Very high15 Ų1545 Ų4516%0.15522%0.22CC..  trans-63.2150.7157.700000109.8S274G270-S274 WeakPolarHBondContact CA-O 3.33Å
271T91.9Very high95.7Very high19 Ų1945.1 Ų45.112%0.11722%0.221CC..BIsolated β-bridgetrans-115.9165.3171.768.30000109.5L223 Q273 S274 P275L223-T271 HydrophobicContact CB-CG2 4.32Å; T271-Q273 PolarHBondContact O-N 3.33Å; T271-Q273 VanDerWaalsContact O-N 3.11Å; T271-Q273 PolarHBondContact OG1-N 2.93Å; T271-S274 PolarHBondContact N-O 3.02Å; T271-S274 CarbonylContact O-C 3.04Å; T271-S274 PolarHBondContact O-N 3.21Å; T271-S274 PolarHBondContact OG1-N 3.24Å; T271-P275 WeakPolarHBondContact O-CA 3.34Å
272K87.4Confident95.7Very high161 Ų16142.7 Ų42.770%0.721%0.208SC*.THydrogen-bonded Turntrans-53.5-32.2173-67.5177.2-178.3172.50113.1L223L223-K272 PolarHBondContact O-N 3.16Å
273Q88.4Confident95.6Very high146 Ų14636.1 Ų36.168%0.68218%0.183SC*.THydrogen-bonded Turntrans-87.3-22.4178.8-66.1176.5-8.200113.2T271T271-Q273 PolarHBondContact O-N 3.33Å; T271-Q273 VanDerWaalsContact O-N 3.11Å; T271-Q273 PolarHBondContact OG1-N 2.93Å
274S91.8Very high95.6Very high48 Ų4836.5 Ų36.534%0.33618%0.184SC..BIsolated β-bridgetrans-139.576.4178.7-640000109.6G270 T271 K276 G277G270-S274 WeakPolarHBondContact CA-O 3.33Å; T271-S274 PolarHBondContact N-O 3.02Å; T271-S274 CarbonylContact O-C 3.04Å; T271-S274 PolarHBondContact O-N 3.21Å; T271-S274 PolarHBondContact OG1-N 3.24Å; S274-K276 PolarHBondContact O-N 3.32Å; S274-G277 PolarHBondContact O-N 3.49Å
275P93.1Very high95.6Very high99 Ų9936.5 Ų36.564%0.64318%0.184SC*.THydrogen-bonded Turntrans-62.9-27-173-25.335.4000113.5T271 G277T271-P275 WeakPolarHBondContact O-CA 3.34Å; P275-G277 PolarHBondContact O-N 3.49Å
276K94.4Very high95.6Very high138 Ų13836.5 Ų36.560%0.618%0.184SC*.THydrogen-bonded Turntrans-82.79.3174.6-65.1-171.5176.8-175.30113.7S274 R317 A318 P319S274-K276 PolarHBondContact O-N 3.32Å; K276-R317 HydrophobicContact CB-CB 4.27Å; K276-R317 CarbonylContact O-C 3.07Å; K276-R317 WeakPolarHBondContact O-CB 3.49Å; K276-A318 CarbonylContact O-C 3.49Å; K276-A318 WeakPolarHBondContact O-CA 3.38Å; K276-A318 PolarHBondContact O-N 3.38Å; K276-P319 WeakPolarHBondContact O-CD 3.28Å
277G94.3Very high95.6Very high3 Ų336.4 Ų36.43%0.03118%0.184CC..  trans72.3-175.4-174.800000113S274 P275 R317S274-G277 PolarHBondContact O-N 3.49Å; P275-G277 PolarHBondContact O-N 3.49Å; G277-R317 WeakPolarHBondContact O-CD 3.47Å
278K94.2Very high95.6Very high72 Ų7236.3 Ų36.331%0.31318%0.184SC..SBendtrans-99.3-40.7177.3-168.1-176.2178.4-1730112.5E70 Y268 R317E70-K278 WeakPolarHBondContact OE1-CE 3.22Å; E70-K278 IonicContact OE1-NZ 2.67Å; E70-K278 PolarHBondContact OE1-NZ 3.23Å; Y268-K278 HydrophobicContact CD1-CB 4.23Å; Y268-K278 HydrophobicContact CE1-CB 3.39Å; Y268-K278 HydrophobicContact CE2-CB 4.5Å; Y268-K278 WeakPolarHBondContact OH-CD 3.48Å; K278-R317 VanDerWaalsContact O-CD 3.28Å; K278-R317 WeakPolarHBondContact O-CD 3.44Å; K278-R317 PolarHBondContact O-NE 3.34Å
279L96.5Very high95.7Very high10 Ų1035 Ų355%0.05218%0.178CC..SBendtrans-74.7145.2-170.1-50.9-178000111.6M252 F266 Y268 E284 R317 A318 I320M252-L279 HydrophobicContact CE-CD1 3.91Å; M252-L279 HydrophobicContact CG-CD1 4.33Å; M252-L279 HydrophobicContact SD-CD1 3.89Å; F266-L279 HydrophobicContact CE1-CD1 4.01Å; F266-L279 HydrophobicContact CZ-CD1 4.22Å; Y268-L279 HydrophobicContact CD1-CG 4.45Å; Y268-L279 HydrophobicContact CD2-CD1 3.73Å; Y268-L279 HydrophobicContact CD2-CD2 3.92Å; Y268-L279 HydrophobicContact CD2-CG 3.83Å; Y268-L279 HydrophobicContact CE2-CD2 3.98Å; Y268-L279 HydrophobicContact CE2-CG 4.31Å; Y268-L279 HydrophobicContact CG-CD1 3.86Å; Y268-L279 HydrophobicContact CG-CD2 4.47Å; Y268-L279 HydrophobicContact CG-CG 3.91Å; L279-E284 WeakPolarHBondContact CA-OE2 3.3Å; L279-E284 HydrophobicContact CB-CB 4.35Å; L279-E284 VanDerWaalsContact CD2-OE1 3.3Å; L279-E284 WeakPolarHBondContact CD2-OE1 3.12Å; L279-R317 CarbonylContact O-C 3.57Å; L279-R317 WeakPolarHBondContact O-CA 2.93Å; L279-R317 WeakPolarHBondContact O-CB 3.27Å; L279-A318 PolarHBondContact O-N 2.88Å; L279-I320 HydrophobicContact CD1-CG2 3.61Å
280R97.7Very high95.7Very high6 Ų635.6 Ų35.62%0.02318%0.181CC..BIsolated β-bridgetrans-92139.8-173.2-69.687.4-179.1170.95.1111.2Q68 E99 Y283 E284 C285 D316 R317Q68-R280 VanDerWaalsContact NE2-NE 3.15Å; Q68-R280 VanDerWaalsContact OE1-CZ 3.27Å; E99-R280 IonicContact OE1-CZ 2.74Å; E99-R280 IonicContact OE1-NE 2.8Å; E99-R280 IonicContact OE1-NH1 2.97Å; E99-R280 PolarHBondContact OE1-NH1 3.03Å; E99-R280 IonicContact OE1-NH2 2.82Å; R280-Y283 HydrophobicContact CB-CD2 3.95Å; R280-Y283 HydrophobicContact CB-CE1 4.13Å; R280-Y283 HydrophobicContact CB-CE2 3.34Å; R280-Y283 VanDerWaalsContact CB-CZ 3.46Å; R280-Y283 HydrophobicContact CG-CE2 3.7Å; R280-Y283 WeakPolarHBondContact CG-OH 3.43Å; R280-E284 WeakPolarHBondContact CB-OE2 3.39Å; R280-E284 WeakPolarHBondContact CD-OE2 3.49Å; R280-E284 PolarHBondContact N-OE2 3.14Å; R280-E284 IonicContact NH1-OE2 2.77Å; R280-E284 PolarHBondContact NH1-OE2 3.48Å; R280-E284 WeakPolarHBondContact O-CA 3.36Å; R280-E284 WeakPolarHBondContact O-CB 3.07Å; R280-E284 PolarHBondContact O-N 3.34Å; R280-E284 VanDerWaalsContact O-N 3.12Å; R280-C285 PolarHBondContact O-N 3.09Å; R280-D316 CarbonylContact C-O 3.53Å; R280-D316 WeakPolarHBondContact CA-O 3.38Å; R280-R317 HydrophobicContact CG-CG 4.17Å
281L98.3Very high95.9Very high3 Ų334.9 Ų34.92%0.01617%0.174CC..Iπ-helixtrans-66.7-50.3-168.4-177.758.5000111.9C285 N286 I306 I309 P311 D316 A318L281-C285 HydrophobicContact CD1-CB 4.15Å; L281-N286 WeakPolarHBondContact O-CB 3.33Å; L281-N286 PolarHBondContact O-N 2.96Å; L281-N286 PolarHBondContact O-ND2 3.14Å; L281-I306 HydrophobicContact CD1-CG2 4.14Å; L281-I309 HydrophobicContact CD1-CB 4.25Å; L281-I309 HydrophobicContact CD1-CD1 4.14Å; L281-I309 HydrophobicContact CD1-CG2 4.46Å; L281-I309 HydrophobicContact CD2-CB 4Å; L281-I309 HydrophobicContact CD2-CG2 3.5Å; L281-P311 HydrophobicContact CD2-CB 4.02Å; L281-D316 HydrophobicContact CB-CB 4.44Å; L281-D316 WeakPolarHBondContact CB-O 3.22Å; L281-D316 PolarHBondContact N-O 3.05Å; L281-A318 HydrophobicContact CD1-CB 4.29Å
282L98.3Very high96.2Very high0 Ų034 Ų340%017%0.168CC..Iπ-helixtrans-72.5-37.4-169.4-71-172.8000114.3C118 L139 P311 I314C118-L282 HydrophobicContact CB-CB 4.12Å; L139-L282 WeakPolarHBondContact CD2-O 3.28Å; L282-P311 HydrophobicContact CD2-CB 4.17Å; L282-P311 HydrophobicContact CD2-CG 4Å; L282-I314 HydrophobicContact CD1-CB 4.25Å; L282-I314 HydrophobicContact CD1-CG2 4.4Å; L282-I314 WeakPolarHBondContact CD1-O 3.12Å
283Y98.2Very high96.8Very high0 Ų028.6 Ų28.60%015%0.146CC..Iπ-helixtrans-119.8-5.6-169.743.9-98.4000114.7I97 E99 F119 D120 I137 R280 P287 H315I97-Y283 HydrophobicContact CG2-CD1 4.21Å; I97-Y283 HydrophobicContact CG2-CE1 4.28Å; E99-Y283 HydrophobicContact CB-CD2 3.98Å; E99-Y283 HydrophobicContact CB-CE2 3.47Å; E99-Y283 VanDerWaalsContact CB-CE2 3.47Å; E99-Y283 HydrophobicContact CG-CE2 3.71Å; F119-Y283 VanDerWaalsContact C-CB 3.49Å; D120-Y283 HydrophobicContact CB-CD2 4.29Å; I137-Y283 WeakPolarHBondContact CB-O 3.41Å; I137-Y283 WeakPolarHBondContact CG2-O 3.33Å; R280-Y283 HydrophobicContact CB-CD2 3.95Å; R280-Y283 HydrophobicContact CB-CE1 4.13Å; R280-Y283 HydrophobicContact CB-CE2 3.34Å; R280-Y283 VanDerWaalsContact CB-CZ 3.46Å; R280-Y283 HydrophobicContact CG-CE2 3.7Å; R280-Y283 WeakPolarHBondContact CG-OH 3.43Å; Y283-P287 WeakPolarHBondContact O-CG 3.49Å; Y283-H315 AromaticContact CE1-ND1 3.75Å; Y283-H315 AromaticContact CZ-ND1 3.76Å; Y283-H315 PolarHBondContact OH-ND1 3.3Å
284E98.6Very high97.2Very high7 Ų725.1 Ų25.13%0.03313%0.13CC..Iπ-helixtrans-117.3-59.9171.3-61.6176.686.200110.9I137 M252 L279 R280 P287 M288I137-E284 HydrophobicContact CD1-CB 4.5Å; I137-E284 HydrophobicContact CD1-CG 4.28Å; M252-E284 HydrophobicContact SD-CB 3.78Å; L279-E284 WeakPolarHBondContact CA-OE2 3.3Å; L279-E284 HydrophobicContact CB-CB 4.35Å; L279-E284 VanDerWaalsContact CD2-OE1 3.3Å; L279-E284 WeakPolarHBondContact CD2-OE1 3.12Å; R280-E284 WeakPolarHBondContact CB-OE2 3.39Å; R280-E284 WeakPolarHBondContact CD-OE2 3.49Å; R280-E284 PolarHBondContact N-OE2 3.14Å; R280-E284 IonicContact NH1-OE2 2.77Å; R280-E284 PolarHBondContact NH1-OE2 3.48Å; R280-E284 WeakPolarHBondContact O-CA 3.36Å; R280-E284 WeakPolarHBondContact O-CB 3.07Å; R280-E284 PolarHBondContact O-N 3.34Å; R280-E284 VanDerWaalsContact O-N 3.12Å; E284-P287 WeakPolarHBondContact O-CG 3.38Å; E284-M288 WeakPolarHBondContact O-CB 3.37Å; E284-M288 WeakPolarHBondContact O-CG 3.46Å; E284-M288 PolarHBondContact O-N 3.02Å
285C98.7Very high97.6Very high0 Ų023 Ų230%012%0.115CC..Iπ-helixtrans-69.9-54-171.9-62.40000113.5R280 L281 M288 A289 I306 I320R280-C285 PolarHBondContact O-N 3.09Å; L281-C285 HydrophobicContact CD1-CB 4.15Å; C285-M288 PolarHBondContact O-N 3.36Å; C285-A289 WeakPolarHBondContact O-CB 3.49Å; C285-A289 PolarHBondContact O-N 2.99Å; C285-I306 HydrophobicContact CB-CG2 3.8Å; C285-I320 HydrophobicContact CB-CD1 3.79Å
286N98.7Very high97.8Very high0 Ų020.7 Ų20.70%011%0.109CC..Hα-helixtrans-57.7-50.9-178.6-79.6-23.6000113.7L139 L281 M288 A289 L290 I306 L307L139-N286 HydrophobicContact CD1-CB 4.35Å; L139-N286 HydrophobicContact CD2-CB 3.78Å; L281-N286 WeakPolarHBondContact O-CB 3.33Å; L281-N286 PolarHBondContact O-N 2.96Å; L281-N286 PolarHBondContact O-ND2 3.14Å; N286-M288 VanDerWaalsContact C-N 3.35Å; N286-M288 PolarHBondContact O-N 3.15Å; N286-A289 PolarHBondContact O-N 3.38Å; N286-L290 PolarHBondContact O-N 3.36Å; N286-I306 PolarHBondContact OD1-O 3.14Å; N286-L307 WeakPolarHBondContact O-CD2 3.44Å
287P98.7Very high98Very high1 Ų114.3 Ų14.31%0.0068%0.083CC..Hα-helixtrans-62.4-41.6-179.621-31.8000112.5I137 F138 L139 A167 Y283 E284 L290 I291I137-P287 HydrophobicContact CG2-CB 3.7Å; I137-P287 HydrophobicContact CG2-CG 3.32Å; F138-P287 WeakPolarHBondContact O-CB 3.47Å; L139-P287 HydrophobicContact CB-CB 4.18Å; L139-P287 HydrophobicContact CB-CG 4.38Å; L139-P287 HydrophobicContact CD1-CB 4.25Å; A167-P287 HydrophobicContact CB-CB 3.97Å; Y283-P287 WeakPolarHBondContact O-CG 3.49Å; E284-P287 WeakPolarHBondContact O-CG 3.38Å; P287-L290 PolarHBondContact O-N 2.91Å; P287-I291 WeakPolarHBondContact O-CG1 3.21Å; P287-I291 PolarHBondContact O-N 3.49Å; P287-I291 VanDerWaalsContact O-N 3.16Å
288M98.7Very high98.2Very high0 Ų016.9 Ų16.90%010%0.095CC..Hα-helixtrans-67.7-40.5177.2-65.9-64.3-174.200112.2I137 Y169 M252 V253 V256 E284 C285 N286 L290 I291 I292 L322I137-M288 HydrophobicContact CD1-CE 3.65Å; I137-M288 HydrophobicContact CG1-CE 3.8Å; I137-M288 HydrophobicContact CG2-CE 4.08Å; Y169-M288 HydrophobicContact CD1-CE 3.81Å; Y169-M288 HydrophobicContact CD1-SD 3.52Å; Y169-M288 VanDerWaalsContact CD1-SD 3.52Å; Y169-M288 HydrophobicContact CE1-SD 3.96Å; Y169-M288 HydrophobicContact CG-CE 3.92Å; Y169-M288 HydrophobicContact CG-SD 4.26Å; M252-M288 HydrophobicContact CE-CB 3.77Å; M252-M288 HydrophobicContact CE-CG 3.56Å; M252-M288 HydrophobicContact SD-CG 4.02Å; V253-M288 HydrophobicContact CB-CE 4.26Å; V253-M288 HydrophobicContact CG2-CE 3.61Å; V256-M288 HydrophobicContact CB-SD 4.02Å; V256-M288 HydrophobicContact CG1-CB 4.42Å; V256-M288 HydrophobicContact CG1-CG 4.44Å; V256-M288 HydrophobicContact CG1-SD 3.6Å; V256-M288 HydrophobicContact CG2-CG 4.47Å; V256-M288 HydrophobicContact CG2-SD 4.32Å; E284-M288 WeakPolarHBondContact O-CB 3.37Å; E284-M288 WeakPolarHBondContact O-CG 3.46Å; E284-M288 PolarHBondContact O-N 3.02Å; C285-M288 PolarHBondContact O-N 3.36Å; N286-M288 VanDerWaalsContact C-N 3.35Å; N286-M288 PolarHBondContact O-N 3.15Å; M288-L290 VanDerWaalsContact C-N 3.35Å; M288-L290 PolarHBondContact O-N 3.43Å; M288-I291 PolarHBondContact O-N 3.25Å; M288-I292 WeakPolarHBondContact O-CB 3.1Å; M288-I292 WeakPolarHBondContact O-CG1 3.41Å; M288-I292 PolarHBondContact O-N 3.08Å; M288-L322 HydrophobicContact CB-CD2 3.98Å
289A98.8Very high98.4Very high0 Ų013.6 Ų13.60%08%0.082CC..Hα-helixtrans-61.6-41.7175.300000112.1C285 N286 I292 E293 A299 I306 L307C285-A289 WeakPolarHBondContact O-CB 3.49Å; C285-A289 PolarHBondContact O-N 2.99Å; N286-A289 PolarHBondContact O-N 3.38Å; A289-I292 PolarHBondContact O-N 3.08Å; A289-E293 PolarHBondContact O-N 3.5Å; A289-A299 HydrophobicContact CB-CB 3.45Å; A289-A299 VanDerWaalsContact CB-CB 3.45Å; A289-I306 HydrophobicContact CB-CB 3.69Å; A289-I306 HydrophobicContact CB-CG1 4.4Å; A289-I306 HydrophobicContact CB-CG2 3.59Å; A289-L307 HydrophobicContact CB-CD2 3.73Å; A289-L307 HydrophobicContact CB-CG 4.02Å
290L98.7Very high98.5Very high19 Ų1913.6 Ų13.610%0.0998%0.082CC..Hα-helixtrans-63.7-44.3178.7-172.565.9000111.2A164 A167 T181 N286 P287 M288 Q294 L307A164-L290 HydrophobicContact CB-CD2 3.83Å; A167-L290 HydrophobicContact CB-CB 4.21Å; A167-L290 HydrophobicContact CB-CD2 3.65Å; A167-L290 HydrophobicContact CB-CG 4.41Å; T181-L290 HydrophobicContact CG2-CD2 3.93Å; T181-L290 HydrophobicContact CG2-CG 3.96Å; N286-L290 PolarHBondContact O-N 3.36Å; P287-L290 PolarHBondContact O-N 2.91Å; M288-L290 VanDerWaalsContact C-N 3.35Å; M288-L290 PolarHBondContact O-N 3.43Å; L290-Q294 HydrophobicContact CD1-CG 4.46Å; L290-Q294 VanDerWaalsContact O-CB 3.28Å; L290-Q294 WeakPolarHBondContact O-CB 3.41Å; L290-Q294 WeakPolarHBondContact O-CG 3.43Å; L290-Q294 PolarHBondContact O-N 2.93Å; L290-L307 HydrophobicContact CB-CD1 4.43Å; L290-L307 HydrophobicContact CB-CD2 4.12Å; L290-L307 HydrophobicContact CD1-CD1 3.89Å
291I98.8Very high98.5Very high0 Ų014.9 Ų14.90%09%0.089CC..Hα-helixtrans-60.1-46.5175-66.8-70.9000110.9Y169 V179 T181 V186 L260 P287 M288 Q294 A295Y169-I291 HydrophobicContact CE1-CG2 4.14Å; V179-I291 HydrophobicContact CG1-CG2 4.38Å; T181-I291 HydrophobicContact CG2-CD1 3.67Å; T181-I291 HydrophobicContact CG2-CG1 4.48Å; V186-I291 HydrophobicContact CG1-CD1 4.28Å; V186-I291 HydrophobicContact CG1-CG2 3.9Å; V186-I291 HydrophobicContact CG2-CG2 4.25Å; V186-I291 WeakPolarHBondContact CG2-O 3.25Å; L260-I291 HydrophobicContact CD1-CG2 4.49Å; L260-I291 HydrophobicContact CD2-CG2 4.04Å; P287-I291 WeakPolarHBondContact O-CG1 3.21Å; P287-I291 PolarHBondContact O-N 3.49Å; P287-I291 VanDerWaalsContact O-N 3.16Å; M288-I291 PolarHBondContact O-N 3.25Å; I291-Q294 PolarHBondContact O-N 2.74Å; I291-A295 WeakPolarHBondContact O-CB 3.32Å; I291-A295 PolarHBondContact O-N 2.82Å
292I98.7Very high98.4Very high0 Ų015.1 Ų15.10%09%0.092CC..Hα-helixtrans-67.8-43.7-176.8-67.7-75.4000111.7I207 V256 L260 M288 A289 A295 G296 G297 L298 L322I207-I292 HydrophobicContact CD1-CD1 4.18Å; V256-I292 HydrophobicContact CG1-CD1 4.26Å; V256-I292 HydrophobicContact CG1-CG1 4.39Å; L260-I292 HydrophobicContact CB-CD1 4.39Å; L260-I292 HydrophobicContact CD1-CD1 4.3Å; M288-I292 WeakPolarHBondContact O-CB 3.1Å; M288-I292 WeakPolarHBondContact O-CG1 3.41Å; M288-I292 PolarHBondContact O-N 3.08Å; A289-I292 PolarHBondContact O-N 3.08Å; I292-A295 PolarHBondContact O-N 2.82Å; I292-G296 PolarHBondContact O-N 3.42Å; I292-G297 WeakPolarHBondContact O-CA 3.28Å; I292-G297 PolarHBondContact O-N 3.33Å; I292-L298 WeakPolarHBondContact CG2-O 3.44Å; I292-L322 HydrophobicContact CD1-CD1 3.78Å; I292-L322 HydrophobicContact CG1-CB 4.43Å; I292-L322 HydrophobicContact CG1-CD1 3.75Å; I292-L322 HydrophobicContact CG1-CD2 4.36Å; I292-L322 HydrophobicContact CG1-CG 4.41Å; I292-L322 HydrophobicContact CG2-CB 4.38Å
293E98.5Very high98.3Very high48 Ų4823.9 Ų23.922%0.22413%0.131CC..Hα-helixtrans-62.9-42.3175.3-74.2-166-165.500111.2R162 A289 A295 G296 S305 L307R162-E293 IonicContact NH1-OE2 3.43Å; R162-E293 PolarHBondContact NH1-OE2 3.28Å; R162-E293 IonicContact NH2-OE2 2.92Å; A289-E293 PolarHBondContact O-N 3.5Å; E293-A295 VanDerWaalsContact C-N 3.26Å; E293-A295 PolarHBondContact O-N 2.9Å; E293-G296 PolarHBondContact O-N 3.04Å; E293-S305 PolarHBondContact OE1-OG 3.16Å; E293-L307 HydrophobicContact CB-CD1 4.46Å; E293-L307 HydrophobicContact CG-CD1 4.28Å; E293-L307 WeakPolarHBondContact OE2-CD1 3.28Å
294Q98.1Very high98.2Very high74 Ų7427.5 Ų27.535%0.34615%0.149SC..Hα-helixtrans-64.8-27.6176.4-74.1-70.5-47.400113.3T181 V186 L290 I291 G296T181-Q294 HydrophobicContact CG2-CG 4.19Å; V186-Q294 HydrophobicContact CG2-CB 3.56Å; L290-Q294 HydrophobicContact CD1-CG 4.46Å; L290-Q294 VanDerWaalsContact O-CB 3.28Å; L290-Q294 WeakPolarHBondContact O-CB 3.41Å; L290-Q294 WeakPolarHBondContact O-CG 3.43Å; L290-Q294 PolarHBondContact O-N 2.93Å; I291-Q294 PolarHBondContact O-N 2.74Å; Q294-G296 VanDerWaalsContact C-N 3.28Å
295A98.6Very high98.2Very high4 Ų428.1 Ų28.13%0.03316%0.155CC..THydrogen-bonded Turntrans-82.80.517400000113.6V186 S206 I207 L260 I291 I292 E293V186-A295 HydrophobicContact CG2-CB 4.03Å; S206-A295 WeakPolarHBondContact CA-O 3.2Å; I207-A295 HydrophobicContact CB-CB 4.4Å; I207-A295 HydrophobicContact CG2-CB 4.49Å; I207-A295 WeakPolarHBondContact CG2-O 3.4Å; I207-A295 PolarHBondContact N-O 3Å; L260-A295 HydrophobicContact CD1-CB 3.42Å; L260-A295 VanDerWaalsContact CD1-CB 3.42Å; I291-A295 WeakPolarHBondContact O-CB 3.32Å; I291-A295 PolarHBondContact O-N 2.82Å; I292-A295 PolarHBondContact O-N 2.82Å; E293-A295 VanDerWaalsContact C-N 3.26Å; E293-A295 PolarHBondContact O-N 2.9Å
296G98.3Very high98.2Very high49 Ų4928.1 Ų28.151%0.50516%0.155SC..THydrogen-bonded Turntrans89.99.6-17900000115.2I292 E293 Q294I292-G296 PolarHBondContact O-N 3.42Å; E293-G296 PolarHBondContact O-N 3.04Å; Q294-G296 VanDerWaalsContact C-N 3.28Å
297G98.7Very high98.2Very high5 Ų528.2 Ų28.25%0.05216%0.155CC..  trans-87.9-168.317400000112.9I207 I292 G323I207-G297 VanDerWaalsContact CG2-N 3.29Å; I292-G297 WeakPolarHBondContact O-CA 3.28Å; I292-G297 PolarHBondContact O-N 3.33Å; G297-G323 WeakPolarHBondContact CA-O 3.48Å
298L98.8Very high98.1Very high57 Ų5731.7 Ų31.730%0.29817%0.174SC..EExtended strand (participates in β ladder)trans-130.2149.8173.4-66.2178.1000110.5I292 L322 G323 K325 I328 I329I292-L298 WeakPolarHBondContact CG2-O 3.44Å; L298-L322 VanDerWaalsContact O-CA 3.25Å; L298-L322 WeakPolarHBondContact O-CA 3.16Å; L298-G323 PolarHBondContact N-O 2.92Å; L298-G323 PolarHBondContact O-N 3.19Å; L298-K325 HydrophobicContact CD1-CB 4.45Å; L298-K325 HydrophobicContact CD1-CG 3.83Å; L298-K325 HydrophobicContact CG-CB 4.33Å; L298-K325 HydrophobicContact CG-CG 4.05Å; L298-I328 HydrophobicContact CB-CB 3.95Å; L298-I328 HydrophobicContact CB-CG1 4.13Å; L298-I328 HydrophobicContact CB-CG2 3.68Å; L298-I328 HydrophobicContact CD1-CB 4.21Å; L298-I328 HydrophobicContact CD1-CG2 3.94Å; L298-I328 HydrophobicContact CG-CG2 4.49Å; L298-I329 HydrophobicContact CD1-CD1 4.41Å; L298-I329 HydrophobicContact CD1-CG1 3.97Å
299A98.8Very high98.1Very high3 Ų333.1 Ų33.13%0.02518%0.181CC..EExtended strand (participates in β ladder)trans-137.7123.6172.400000110.9A289 S305 I306 F321 L322A289-A299 HydrophobicContact CB-CB 3.45Å; A289-A299 VanDerWaalsContact CB-CB 3.45Å; A299-S305 WeakPolarHBondContact O-CA 3.09Å; A299-I306 HydrophobicContact CB-CB 4.48Å; A299-I306 HydrophobicContact CB-CG1 4.25Å; A299-I306 PolarHBondContact O-N 2.83Å; A299-I306 VanDerWaalsContact O-N 3.12Å; A299-F321 CarbonylContact C-O 3.47Å; A299-F321 VanDerWaalsContact CA-O 3.3Å; A299-F321 WeakPolarHBondContact CA-O 3.35Å; A299-L322 HydrophobicContact CB-CB 3.85Å
300T98.7Very high98.1Very high10 Ų1037.9 Ų37.96%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-143.5155.2-174.1-1800000112G302 L304 F321 I328 M332T300-G302 VanDerWaalsContact C-N 3.29Å; T300-G302 PolarHBondContact OG1-N 3.05Å; T300-L304 VanDerWaalsContact CA-O 3.31Å; T300-L304 WeakPolarHBondContact CA-O 3.15Å; T300-L304 WeakPolarHBondContact CB-O 3.45Å; T300-L304 PolarHBondContact OG1-O 3.44Å; T300-F321 HydrophobicContact CG2-CB 4.16Å; T300-F321 HydrophobicContact CG2-CD2 4.31Å; T300-F321 PolarHBondContact N-O 3.06Å; T300-F321 WeakPolarHBondContact O-CD2 3.41Å; T300-F321 PolarHBondContact O-N 2.99Å; T300-I328 HydrophobicContact CG2-CG2 3.91Å; T300-M332 HydrophobicContact CG2-CG 4.18Å; T300-M332 HydrophobicContact CG2-SD 3.65Å
301N97.6Very high98Very high32 Ų3237 Ų3717%0.17120%0.199CC..SBendtrans-88.59.316869.3-1.9000113.5K303 L304 I306 I309 P319N301-K303 WeakPolarHBondContact OD1-CA 3.2Å; N301-K303 PolarHBondContact OD1-N 3.03Å; N301-L304 PolarHBondContact N-O 3.36Å; N301-L304 VanDerWaalsContact N-O 3.15Å; N301-L304 PolarHBondContact OD1-N 2.97Å; N301-L304 PolarHBondContact OD1-O 3Å; N301-I306 HydrophobicContact CB-CD1 3.97Å; N301-I309 HydrophobicContact CB-CD1 4.21Å; N301-P319 VanDerWaalsContact CA-O 3.32Å; N301-P319 WeakPolarHBondContact CA-O 3.07Å; N301-P319 VanDerWaalsContact CB-O 3.25Å; N301-P319 WeakPolarHBondContact CB-O 3.48Å
302G96.1Very high98Very high8 Ų843.4 Ų43.48%0.08223%0.233CC..SBendtrans92.7-7-17400000114T300 M332T300-G302 VanDerWaalsContact C-N 3.29Å; T300-G302 PolarHBondContact OG1-N 3.05Å; G302-M332 WeakPolarHBondContact O-CE 3.12Å
303K95Very high97.9Very high185 Ų18548.1 Ų48.180%0.80426%0.255SS*.SBendtrans-127.1-46.7179-63.1-178-179.1-177.90112.8N301N301-K303 WeakPolarHBondContact OD1-CA 3.2Å; N301-K303 PolarHBondContact OD1-N 3.03Å
304L96.1Very high97.8Very high75 Ų7546 Ų4639%0.39325%0.245SC..SBendtrans-139.1171.1177.563.6150.4000111.2T300 N301 D308 I309T300-L304 VanDerWaalsContact CA-O 3.31Å; T300-L304 WeakPolarHBondContact CA-O 3.15Å; T300-L304 WeakPolarHBondContact CB-O 3.45Å; T300-L304 PolarHBondContact OG1-O 3.44Å; N301-L304 PolarHBondContact N-O 3.36Å; N301-L304 VanDerWaalsContact N-O 3.15Å; N301-L304 PolarHBondContact OD1-N 2.97Å; N301-L304 PolarHBondContact OD1-O 3Å; L304-D308 HydrophobicContact CD1-CB 4.02Å; L304-I309 HydrophobicContact CD1-CG1 3.99Å; L304-I309 HydrophobicContact CG-CG1 4.23Å
305S98.3Very high97.8Very high21 Ų2143.5 Ų43.515%0.14723%0.233CC..BIsolated β-bridgetrans-62.1143172.7166.50000110E293 A299 L307 D308E293-S305 PolarHBondContact OE1-OG 3.16Å; A299-S305 WeakPolarHBondContact O-CA 3.09Å; S305-L307 PolarHBondContact O-N 2.97Å; S305-L307 PolarHBondContact OG-N 2.74Å; S305-D308 WeakPolarHBondContact CB-OD2 3.49Å; S305-D308 PolarHBondContact O-N 2.92Å
306I98.7Very high97.7Very high0 Ų044.5 Ų44.50%024%0.238CC..G310 helixtrans-56.9-41175.8-67.9-66.7000111L281 C285 N286 A289 A299 N301 D308 I309 P319 I320L281-I306 HydrophobicContact CD1-CG2 4.14Å; C285-I306 HydrophobicContact CB-CG2 3.8Å; N286-I306 PolarHBondContact OD1-O 3.14Å; A289-I306 HydrophobicContact CB-CB 3.69Å; A289-I306 HydrophobicContact CB-CG1 4.4Å; A289-I306 HydrophobicContact CB-CG2 3.59Å; A299-I306 HydrophobicContact CB-CB 4.48Å; A299-I306 HydrophobicContact CB-CG1 4.25Å; A299-I306 PolarHBondContact O-N 2.83Å; A299-I306 VanDerWaalsContact O-N 3.12Å; N301-I306 HydrophobicContact CB-CD1 3.97Å; I306-D308 PolarHBondContact O-N 3.16Å; I306-I309 HydrophobicContact CD1-CD1 4.04Å; I306-I309 WeakPolarHBondContact O-CB 3.25Å; I306-I309 WeakPolarHBondContact O-CG1 3.39Å; I306-I309 PolarHBondContact O-N 2.85Å; I306-P319 WeakPolarHBondContact CD1-O 3.33Å; I306-I320 HydrophobicContact CD1-CB 4.07Å; I306-I320 HydrophobicContact CD1-CD1 4.18Å; I306-I320 HydrophobicContact CD1-CG1 3.96Å; I306-I320 HydrophobicContact CG1-CD1 3.96Å; I306-I320 HydrophobicContact CG1-CG1 3.93Å
307L98.6Very high97.6Very high1 Ų146.2 Ų46.21%0.00523%0.229CC..G310 helixtrans-69.6-17.3-175.3-59.9-177.7000113.5P160 G161 R162 N286 A289 L290 E293 S305P160-L307 WeakPolarHBondContact CB-O 3.29Å; G161-L307 PolarHBondContact N-O 3.46Å; R162-L307 HydrophobicContact CG-CB 3.65Å; R162-L307 PolarHBondContact N-O 2.79Å; R162-L307 VanDerWaalsContact N-O 3.09Å; N286-L307 WeakPolarHBondContact O-CD2 3.44Å; A289-L307 HydrophobicContact CB-CD2 3.73Å; A289-L307 HydrophobicContact CB-CG 4.02Å; L290-L307 HydrophobicContact CB-CD1 4.43Å; L290-L307 HydrophobicContact CB-CD2 4.12Å; L290-L307 HydrophobicContact CD1-CD1 3.89Å; E293-L307 HydrophobicContact CB-CD1 4.46Å; E293-L307 HydrophobicContact CG-CD1 4.28Å; E293-L307 WeakPolarHBondContact OE2-CD1 3.28Å; S305-L307 PolarHBondContact O-N 2.97Å; S305-L307 PolarHBondContact OG-N 2.74Å
308D98.5Very high97.6Very high75 Ų7546.2 Ų46.240%0.40123%0.229SC..G310 helixtrans-90.9-4.8179-71.2-45.4000113R162 L304 S305 I306 Q310R162-D308 VanDerWaalsContact CD-OD1 3.28Å; R162-D308 WeakPolarHBondContact CD-OD1 3.11Å; R162-D308 IonicContact CZ-OD1 2.74Å; R162-D308 IonicContact CZ-OD2 2.63Å; R162-D308 IonicContact NE-OD1 3.55Å; R162-D308 PolarHBondContact NE-OD1 3.02Å; R162-D308 IonicContact NE-OD2 2.82Å; R162-D308 PolarHBondContact NE-OD2 3.2Å; R162-D308 IonicContact NH2-OD1 2.58Å; R162-D308 IonicContact NH2-OD2 3.73Å; R162-D308 PolarHBondContact NH2-OD2 3.3Å; L304-D308 HydrophobicContact CD1-CB 4.02Å; S305-D308 WeakPolarHBondContact CB-OD2 3.49Å; S305-D308 PolarHBondContact O-N 2.92Å; I306-D308 PolarHBondContact O-N 3.16Å; D308-Q310 PolarHBondContact O-N 3.17Å
309I98.2Very high97.6Very high29 Ų2944.6 Ų44.615%0.14922%0.222CC..  trans-73.4123.2179.2-57.6172.9000109.3L281 N301 L304 I306 P311 A318L281-I309 HydrophobicContact CD1-CB 4.25Å; L281-I309 HydrophobicContact CD1-CD1 4.14Å; L281-I309 HydrophobicContact CD1-CG2 4.46Å; L281-I309 HydrophobicContact CD2-CB 4Å; L281-I309 HydrophobicContact CD2-CG2 3.5Å; N301-I309 HydrophobicContact CB-CD1 4.21Å; L304-I309 HydrophobicContact CD1-CG1 3.99Å; L304-I309 HydrophobicContact CG-CG1 4.23Å; I306-I309 HydrophobicContact CD1-CD1 4.04Å; I306-I309 WeakPolarHBondContact O-CB 3.25Å; I306-I309 WeakPolarHBondContact O-CG1 3.39Å; I306-I309 PolarHBondContact O-N 2.85Å; I309-P311 WeakPolarHBondContact O-CD 3.41Å; I309-A318 HydrophobicContact CD1-CB 4.28Å
310Q98Very high97.5Very high100 Ų10044.5 Ų44.547%0.46722%0.221SC..  trans-78.5112169.6177.957.355.200109.7L158 D308L158-Q310 PolarHBondContact O-NE2 3.11Å; D308-Q310 PolarHBondContact O-N 3.17Å
311P97.8Very high97.5Very high2 Ų244.3 Ų44.31%0.01322%0.219CC..  trans-66.7141.4173.529.1-36.8000110.8L158 Q159 L281 L282 I309L158-P311 VanDerWaalsContact C-CG 3.49Å; L158-P311 HydrophobicContact CB-CG 4.08Å; L158-P311 HydrophobicContact CD2-CB 4.16Å; L158-P311 HydrophobicContact CD2-CG 4.39Å; Q159-P311 WeakPolarHBondContact O-CG 3.42Å; L281-P311 HydrophobicContact CD2-CB 4.02Å; L282-P311 HydrophobicContact CD2-CB 4.17Å; L282-P311 HydrophobicContact CD2-CG 4Å; I309-P311 WeakPolarHBondContact O-CD 3.41Å
312N97.1Very high97.6Very high133 Ų13342.8 Ų42.871%0.71121%0.211SC*.SBendtrans-103.9-26.7172.1-58.7-77.2000111.6D316N312-D316 WeakPolarHBondContact CA-OD2 3.42Å; N312-D316 PolarHBondContact N-OD2 2.8Å
313H97.1Very high97.7Very high99 Ų9942.4 Ų42.446%0.45821%0.207SC..SBendtrans-135.1151177.8-164.3-96.7000111H315 D316H313-H315 AromaticContact CE1-CD2 3.78Å; H313-H315 PolarHBondContact ND1-N 3.46Å; H313-H315 VanDerWaalsContact ND1-N 3.2Å; H313-H315 PolarHBondContact O-N 2.74Å; H313-D316 PolarHBondContact N-OD2 3.1Å; H313-D316 WeakPolarHBondContact O-CB 3.37Å; H313-D316 PolarHBondContact O-N 3.24Å; H313-D316 VanDerWaalsContact O-N 3.13Å
314I97Very high97.9Very high4 Ų433.6 Ų33.62%0.02117%0.168CC..THydrogen-bonded Turntrans-64.2-26-178.457.8171.2000113I97 L158 L282I97-I314 HydrophobicContact CD1-CB 4.47Å; I97-I314 HydrophobicContact CD1-CG2 4Å; I97-I314 HydrophobicContact CG2-CB 4.03Å; L158-I314 HydrophobicContact CD2-CG2 3.88Å; L282-I314 HydrophobicContact CD1-CB 4.25Å; L282-I314 HydrophobicContact CD1-CG2 4.4Å; L282-I314 WeakPolarHBondContact CD1-O 3.12Å
315H96.8Very high98Very high22 Ų2234.8 Ų34.810%0.10217%0.171CC..THydrogen-bonded Turntrans-106.923.3176.6-55.4-58.7000113.5S98 N101 D102 Y283 H313S98-H315 PolarHBondContact O-CE1 3.42Å; N101-H315 PolarHBondContact O-CE1 3.41Å; N101-H315 PolarHBondContact O-NE2 3.08Å; N101-H315 VanDerWaalsContact O-NE2 3.16Å; D102-H315 PolarHBondContact O-NE2 2.94Å; Y283-H315 AromaticContact CE1-ND1 3.75Å; Y283-H315 AromaticContact CZ-ND1 3.76Å; Y283-H315 PolarHBondContact OH-ND1 3.3Å; H313-H315 AromaticContact CE1-CD2 3.78Å; H313-H315 PolarHBondContact ND1-N 3.46Å; H313-H315 VanDerWaalsContact ND1-N 3.2Å; H313-H315 PolarHBondContact O-N 2.74Å
316D97.1Very high98.1Very high25 Ų2536.7 Ų36.713%0.13418%0.179CC..  trans-57.4141.8174.9-92.8-24.5000111.2R280 L281 N312 H313R280-D316 CarbonylContact C-O 3.53Å; R280-D316 WeakPolarHBondContact CA-O 3.38Å; L281-D316 HydrophobicContact CB-CB 4.44Å; L281-D316 WeakPolarHBondContact CB-O 3.22Å; L281-D316 PolarHBondContact N-O 3.05Å; N312-D316 WeakPolarHBondContact CA-OD2 3.42Å; N312-D316 PolarHBondContact N-OD2 2.8Å; H313-D316 PolarHBondContact N-OD2 3.1Å; H313-D316 WeakPolarHBondContact O-CB 3.37Å; H313-D316 PolarHBondContact O-N 3.24Å; H313-D316 VanDerWaalsContact O-N 3.13Å
317R97.4Very high98.1Very high85 Ų8536.7 Ų36.732%0.32118%0.179SC..BIsolated β-bridgetrans-103.7152.6176.3-64.8177.9-179.4-178.70.3111.4K276 G277 K278 L279 R280K276-R317 HydrophobicContact CB-CB 4.27Å; K276-R317 CarbonylContact O-C 3.07Å; K276-R317 WeakPolarHBondContact O-CB 3.49Å; G277-R317 WeakPolarHBondContact O-CD 3.47Å; K278-R317 VanDerWaalsContact O-CD 3.28Å; K278-R317 WeakPolarHBondContact O-CD 3.44Å; K278-R317 PolarHBondContact O-NE 3.34Å; L279-R317 CarbonylContact O-C 3.57Å; L279-R317 WeakPolarHBondContact O-CA 2.93Å; L279-R317 WeakPolarHBondContact O-CB 3.27Å; R280-R317 HydrophobicContact CG-CG 4.17Å
318A97.8Very high98.1Very high5 Ų536.7 Ų36.74%0.04118%0.179CC..  trans-140142.6171.900000111.9K276 L279 L281 I309K276-A318 CarbonylContact O-C 3.49Å; K276-A318 WeakPolarHBondContact O-CA 3.38Å; K276-A318 PolarHBondContact O-N 3.38Å; L279-A318 PolarHBondContact O-N 2.88Å; L281-A318 HydrophobicContact CD1-CB 4.29Å; I309-A318 HydrophobicContact CD1-CB 4.28Å
319P98Very high98.1Very high23 Ų2336.4 Ų36.415%0.14918%0.177CC..  trans-57.5146.1156.6-20.334.7000109.5Y268 K276 N301 I306Y268-P319 WeakPolarHBondContact O-CA 3.42Å; K276-P319 WeakPolarHBondContact O-CD 3.28Å; N301-P319 VanDerWaalsContact CA-O 3.32Å; N301-P319 WeakPolarHBondContact CA-O 3.07Å; N301-P319 VanDerWaalsContact CB-O 3.25Å; N301-P319 WeakPolarHBondContact CB-O 3.48Å; I306-P319 WeakPolarHBondContact CD1-O 3.33Å
320I98.7Very high98.1Very high0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-142.3134.9177.1-173.8163.1000111.8M252 F266 Y268 L279 C285 I306 L322M252-I320 HydrophobicContact CE-CD1 4.21Å; F266-I320 HydrophobicContact CE1-CG2 4.21Å; Y268-I320 PolarHBondContact N-O 2.77Å; Y268-I320 PolarHBondContact O-N 2.94Å; L279-I320 HydrophobicContact CD1-CG2 3.61Å; C285-I320 HydrophobicContact CB-CD1 3.79Å; I306-I320 HydrophobicContact CD1-CB 4.07Å; I306-I320 HydrophobicContact CD1-CD1 4.18Å; I306-I320 HydrophobicContact CD1-CG1 3.96Å; I306-I320 HydrophobicContact CG1-CD1 3.96Å; I306-I320 HydrophobicContact CG1-CG1 3.93Å; I320-L322 HydrophobicContact CD1-CD2 3.78Å; I320-L322 HydrophobicContact CG1-CB 4.48Å; I320-L322 HydrophobicContact CG1-CD2 4.15Å
321F98.7Very high98.1Very high6 Ų632 Ų323%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-126.8122.5170.1-47.7-69.8000106.7I228 F266 L267 P269 A299 T300 I328 L331 I335I228-F321 HydrophobicContact CD1-CD1 4.36Å; I228-F321 HydrophobicContact CD1-CE1 3.43Å; I228-F321 VanDerWaalsContact CD1-CE1 3.43Å; I228-F321 HydrophobicContact CD1-CZ 3.67Å; F266-F321 WeakPolarHBondContact O-CA 3.34Å; L267-F321 HydrophobicContact CB-CD1 3.88Å; L267-F321 HydrophobicContact CB-CE1 4.22Å; L267-F321 HydrophobicContact CD2-CD1 3.91Å; L267-F321 HydrophobicContact CD2-CE1 4.22Å; L267-F321 HydrophobicContact CG-CD1 3.99Å; P269-F321 HydrophobicContact CB-CE1 3.79Å; P269-F321 HydrophobicContact CB-CZ 3.85Å; A299-F321 CarbonylContact C-O 3.47Å; A299-F321 VanDerWaalsContact CA-O 3.3Å; A299-F321 WeakPolarHBondContact CA-O 3.35Å; T300-F321 HydrophobicContact CG2-CB 4.16Å; T300-F321 HydrophobicContact CG2-CD2 4.31Å; T300-F321 PolarHBondContact N-O 3.06Å; T300-F321 WeakPolarHBondContact O-CD2 3.41Å; T300-F321 PolarHBondContact O-N 2.99Å; F321-I328 HydrophobicContact CB-CD1 3.94Å; F321-L331 HydrophobicContact CB-CD2 3.79Å; F321-L331 HydrophobicContact CD1-CD2 3.62Å; F321-L331 HydrophobicContact CD2-CD2 4.2Å; F321-L331 HydrophobicContact CE1-CD2 4.25Å; F321-L331 HydrophobicContact CG-CD2 3.58Å; F321-I335 HydrophobicContact CE2-CD1 4.2Å
322L98.8Very high98.1Very high0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-142.7153.5-179.369.775.5000112.5M252 V256 T259 F266 M288 I292 L298 A299 I320M252-L322 HydrophobicContact CE-CD2 4.45Å; V256-L322 HydrophobicContact CG1-CD1 4.11Å; V256-L322 HydrophobicContact CG2-CD1 4.04Å; V256-L322 HydrophobicContact CG2-CD2 3.97Å; V256-L322 HydrophobicContact CG2-CG 4.48Å; T259-L322 HydrophobicContact CG2-CD1 4.27Å; F266-L322 HydrophobicContact CB-CD1 3.92Å; F266-L322 HydrophobicContact CB-CG 4.18Å; F266-L322 HydrophobicContact CD1-CD2 4.37Å; F266-L322 HydrophobicContact CD1-CG 4.11Å; F266-L322 PolarHBondContact N-O 3.42Å; F266-L322 PolarHBondContact O-N 3.18Å; M288-L322 HydrophobicContact CB-CD2 3.98Å; I292-L322 HydrophobicContact CD1-CD1 3.78Å; I292-L322 HydrophobicContact CG1-CB 4.43Å; I292-L322 HydrophobicContact CG1-CD1 3.75Å; I292-L322 HydrophobicContact CG1-CD2 4.36Å; I292-L322 HydrophobicContact CG1-CG 4.41Å; I292-L322 HydrophobicContact CG2-CB 4.38Å; L298-L322 VanDerWaalsContact O-CA 3.25Å; L298-L322 WeakPolarHBondContact O-CA 3.16Å; A299-L322 HydrophobicContact CB-CB 3.85Å; I320-L322 HydrophobicContact CD1-CD2 3.78Å; I320-L322 HydrophobicContact CG1-CB 4.48Å; I320-L322 HydrophobicContact CG1-CD2 4.15Å
323G98.8Very high98.1Very high0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans143.5-143.517200000113.2I207 G264 G297 L298 K325I207-G323 VanDerWaalsContact CD1-C 3.43Å; G264-G323 CarbonylContact O-C 3.53Å; G264-G323 WeakPolarHBondContact O-CA 3.35Å; G297-G323 WeakPolarHBondContact CA-O 3.48Å; L298-G323 PolarHBondContact N-O 2.92Å; L298-G323 PolarHBondContact O-N 3.19Å; G323-K325 PolarHBondContact O-N 3.22Å
324S98.9Very high98.1Very high0 Ų029 Ų290%014%0.142CC..  trans-55127.7179.4-77.70000111.2K208 P209 G211 G263 G264 D326 D327 I328K208-S324 WeakPolarHBondContact O-CA 3.5Å; K208-S324 VanDerWaalsContact O-CB 3.24Å; K208-S324 WeakPolarHBondContact O-CB 3.41Å; K208-S324 PolarHBondContact O-OG 3.03Å; P209-S324 CarbonylContact O-C 3.45Å; P209-S324 WeakPolarHBondContact O-CB 3.41Å; G211-S324 PolarHBondContact N-OG 3.43Å; G263-S324 WeakPolarHBondContact CA-OG 3.3Å; G264-S324 PolarHBondContact N-OG 3.28Å; G264-S324 WeakPolarHBondContact O-CB 3.36Å; G264-S324 PolarHBondContact O-N 3.46Å; S324-D326 VanDerWaalsContact C-N 3.31Å; S324-D326 PolarHBondContact O-N 2.87Å; S324-D327 WeakPolarHBondContact CB-OD2 3.42Å; S324-D327 PolarHBondContact O-N 3.45Å; S324-D327 VanDerWaalsContact O-N 3.14Å; S324-I328 WeakPolarHBondContact O-CG1 3.44Å; S324-I328 PolarHBondContact O-N 2.97Å
325K98.7Very high98.1Very high101 Ų10130.3 Ų30.344%0.43915%0.148SC..Hα-helixtrans-50.8-47-174.3177.3176178.8-179.70113P209 L298 G323 I328 I329P209-K325 PolarHBondContact O-N 2.89Å; P209-K325 VanDerWaalsContact O-N 3.13Å; L298-K325 HydrophobicContact CD1-CB 4.45Å; L298-K325 HydrophobicContact CD1-CG 3.83Å; L298-K325 HydrophobicContact CG-CB 4.33Å; L298-K325 HydrophobicContact CG-CG 4.05Å; G323-K325 PolarHBondContact O-N 3.22Å; K325-I328 PolarHBondContact O-N 3.41Å; K325-I329 HydrophobicContact CD-CD1 4.48Å; K325-I329 HydrophobicContact CG-CD1 3.76Å; K325-I329 VanDerWaalsContact O-CG1 3.28Å; K325-I329 WeakPolarHBondContact O-CG1 3.45Å; K325-I329 PolarHBondContact O-N 2.98Å
326D98.6Very high98Very high60 Ų6035.4 Ų35.432%0.32117%0.17SC..Hα-helixtrans-72.2-32.8-175.2-59.5-21.8000112.2P209 R210 S324 E330P209-D326 VanDerWaalsContact O-CB 3.32Å; P209-D326 WeakPolarHBondContact O-CB 3.37Å; P209-D326 PolarHBondContact O-N 2.91Å; R210-D326 HydrophobicContact CB-CB 4.05Å; R210-D326 PolarHBondContact NH2-O 2.95Å; R210-D326 VanDerWaalsContact NH2-O 3.13Å; S324-D326 VanDerWaalsContact C-N 3.31Å; S324-D326 PolarHBondContact O-N 2.87Å; D326-E330 WeakPolarHBondContact O-CB 3.46Å; D326-E330 PolarHBondContact O-N 3.22Å
327D98.7Very high97.9Very high0 Ų040.1 Ų40.10%019%0.19CC..Hα-helixtrans-69.2-38.5174.7-67.2-60.2000110.8R210 G211 Y231 Y244 I265 S324 E330 L331R210-D327 IonicContact NH1-OD1 3.92Å; R210-D327 PolarHBondContact NH1-OD1 3.38Å; G211-D327 PolarHBondContact N-OD2 3.43Å; Y231-D327 PolarHBondContact OH-O 3.22Å; Y244-D327 VanDerWaalsContact CE2-OD1 3.26Å; Y244-D327 WeakPolarHBondContact CE2-OD1 3.36Å; Y244-D327 PolarHBondContact OH-OD1 3.11Å; I265-D327 HydrophobicContact CB-CB 4.13Å; I265-D327 HydrophobicContact CG2-CB 4.49Å; S324-D327 WeakPolarHBondContact CB-OD2 3.42Å; S324-D327 PolarHBondContact O-N 3.45Å; S324-D327 VanDerWaalsContact O-N 3.14Å; D327-E330 PolarHBondContact O-N 2.91Å; D327-L331 PolarHBondContact O-N 3.23Å; D327-L331 VanDerWaalsContact O-N 3.08Å
328I98.7Very high97.7Very high2 Ų239 Ų391%0.0119%0.187CC..Hα-helixtrans-68-43.4175.3-64.6-72000111.5I265 L298 T300 F321 S324 K325 E330 L331 M332I265-I328 HydrophobicContact CD1-CD1 3.63Å; I265-I328 HydrophobicContact CD1-CG1 4.42Å; I265-I328 HydrophobicContact CG1-CD1 3.88Å; L298-I328 HydrophobicContact CB-CB 3.95Å; L298-I328 HydrophobicContact CB-CG1 4.13Å; L298-I328 HydrophobicContact CB-CG2 3.68Å; L298-I328 HydrophobicContact CD1-CB 4.21Å; L298-I328 HydrophobicContact CD1-CG2 3.94Å; L298-I328 HydrophobicContact CG-CG2 4.49Å; T300-I328 HydrophobicContact CG2-CG2 3.91Å; F321-I328 HydrophobicContact CB-CD1 3.94Å; S324-I328 WeakPolarHBondContact O-CG1 3.44Å; S324-I328 PolarHBondContact O-N 2.97Å; K325-I328 PolarHBondContact O-N 3.41Å; I328-E330 VanDerWaalsContact C-N 3.3Å; I328-E330 PolarHBondContact O-N 2.59Å; I328-L331 PolarHBondContact O-N 3.44Å; I328-M332 HydrophobicContact CG2-CG 4.26Å; I328-M332 WeakPolarHBondContact O-CB 3.41Å; I328-M332 VanDerWaalsContact O-CG 3.28Å; I328-M332 WeakPolarHBondContact O-CG 3.18Å; I328-M332 PolarHBondContact O-N 3.25Å
329I98.5Very high97Very high68 Ų6841.7 Ų41.735%0.34921%0.206SC..Hα-helixtrans-61.1-41.9176.6-70.9167.3000110.8L298 K325 M332 N333L298-I329 HydrophobicContact CD1-CD1 4.41Å; L298-I329 HydrophobicContact CD1-CG1 3.97Å; K325-I329 HydrophobicContact CD-CD1 4.48Å; K325-I329 HydrophobicContact CG-CD1 3.76Å; K325-I329 VanDerWaalsContact O-CG1 3.28Å; K325-I329 WeakPolarHBondContact O-CG1 3.45Å; K325-I329 PolarHBondContact O-N 2.98Å; I329-M332 PolarHBondContact O-N 3.4Å; I329-N333 VanDerWaalsContact O-CG 3.27Å; I329-N333 PolarHBondContact O-N 2.74Å; I329-N333 PolarHBondContact O-ND2 3.48Å
330E98.1Very high95.6Very high38 Ų3847 Ų4718%0.17823%0.228CC..Hα-helixtrans-59.7-47.9175.8-173.2-176.1155.500111.7R210 Y231 K235 D326 D327 I328 M332 N333 I334R210-E330 IonicContact CZ-OE2 3.58Å; R210-E330 IonicContact NH1-OE2 3.64Å; R210-E330 PolarHBondContact NH1-OE2 3.31Å; R210-E330 IonicContact NH2-OE2 2.83Å; R210-E330 PolarHBondContact NH2-OE2 3.29Å; Y231-E330 HydrophobicContact CE2-CB 4.36Å; Y231-E330 HydrophobicContact CE2-CG 4.14Å; K235-E330 VanDerWaalsContact CE-OE1 3.28Å; K235-E330 WeakPolarHBondContact CE-OE1 3.45Å; K235-E330 IonicContact NZ-OE1 3.59Å; K235-E330 PolarHBondContact NZ-OE1 3.18Å; K235-E330 IonicContact NZ-OE2 2.74Å; K235-E330 PolarHBondContact NZ-OE2 3.17Å; D326-E330 WeakPolarHBondContact O-CB 3.46Å; D326-E330 PolarHBondContact O-N 3.22Å; D327-E330 PolarHBondContact O-N 2.91Å; I328-E330 VanDerWaalsContact C-N 3.3Å; I328-E330 PolarHBondContact O-N 2.59Å; E330-M332 PolarHBondContact O-N 3.23Å; E330-N333 PolarHBondContact O-N 3.43Å; E330-I334 HydrophobicContact CG-CD1 4.47Å; E330-I334 PolarHBondContact O-N 2.79Å
331L98.3Very high93.7Very high0 Ų055.9 Ų55.90%026%0.263CS..Hα-helixtrans-59.2-47.2175.1173.262.1000111.8I228 Y231 I265 L267 F321 D327 I328 N333 I334 I335I228-L331 HydrophobicContact CD1-CD1 3.92Å; Y231-L331 HydrophobicContact CD1-CD1 3.99Å; Y231-L331 HydrophobicContact CD2-CB 4.12Å; Y231-L331 HydrophobicContact CD2-CD1 4.15Å; Y231-L331 HydrophobicContact CE2-CB 3.97Å; Y231-L331 HydrophobicContact CG-CB 4.43Å; Y231-L331 HydrophobicContact CG-CD1 3.72Å; I265-L331 HydrophobicContact CD1-CB 4.33Å; I265-L331 HydrophobicContact CD1-CD2 3.85Å; L267-L331 HydrophobicContact CD2-CD2 3.87Å; F321-L331 HydrophobicContact CB-CD2 3.79Å; F321-L331 HydrophobicContact CD1-CD2 3.62Å; F321-L331 HydrophobicContact CD2-CD2 4.2Å; F321-L331 HydrophobicContact CE1-CD2 4.25Å; F321-L331 HydrophobicContact CG-CD2 3.58Å; D327-L331 PolarHBondContact O-N 3.23Å; D327-L331 VanDerWaalsContact O-N 3.08Å; I328-L331 PolarHBondContact O-N 3.44Å; L331-N333 VanDerWaalsContact C-N 3.3Å; L331-N333 PolarHBondContact O-N 2.93Å; L331-I334 WeakPolarHBondContact O-CB 3.49Å; L331-I334 PolarHBondContact O-N 2.85Å; L331-I334 VanDerWaalsContact O-N 3.08Å; L331-I335 HydrophobicContact CD1-CD1 4.03Å; L331-I335 HydrophobicContact CD1-CG1 4.14Å; L331-I335 HydrophobicContact CD2-CD1 4.42Å; L331-I335 HydrophobicContact CG-CD1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.39Å; L331-I335 WeakPolarHBondContact O-CG1 3.34Å; L331-I335 PolarHBondContact O-N 2.95Å
332M98Very high91.2Very high53 Ų5366 Ų6626%0.26131%0.31SS..Hα-helixtrans-61.9-36.3-179.3-73.1-62.2-66.200112.6T300 G302 I328 I329 E330 I334 I335 K336T300-M332 HydrophobicContact CG2-CG 4.18Å; T300-M332 HydrophobicContact CG2-SD 3.65Å; G302-M332 WeakPolarHBondContact O-CE 3.12Å; I328-M332 HydrophobicContact CG2-CG 4.26Å; I328-M332 WeakPolarHBondContact O-CB 3.41Å; I328-M332 VanDerWaalsContact O-CG 3.28Å; I328-M332 WeakPolarHBondContact O-CG 3.18Å; I328-M332 PolarHBondContact O-N 3.25Å; I329-M332 PolarHBondContact O-N 3.4Å; E330-M332 PolarHBondContact O-N 3.23Å; M332-I334 VanDerWaalsContact C-N 3.32Å; M332-I334 PolarHBondContact O-N 3.04Å; M332-I335 PolarHBondContact O-N 3.18Å; M332-I335 HydrophobicContact SD-CD1 4.24Å; M332-K336 WeakPolarHBondContact O-CB 3.04Å; M332-K336 PolarHBondContact O-N 3.49Å
333N97.7Very high90.9Very high102 Ų10269.3 Ų69.355%0.54533%0.326SS..Hα-helixtrans-64-38174.4-72.7-27.5000111.9I329 E330 L331 K337I329-N333 VanDerWaalsContact O-CG 3.27Å; I329-N333 PolarHBondContact O-N 2.74Å; I329-N333 PolarHBondContact O-ND2 3.48Å; E330-N333 PolarHBondContact O-N 3.43Å; L331-N333 VanDerWaalsContact C-N 3.3Å; L331-N333 PolarHBondContact O-N 2.93Å; N333-K337 PolarHBondContact O-N 3.49Å
334I97.4Very high90.4Very high16 Ų1672.9 Ų72.98%0.08234%0.343CS..Hα-helixtrans-69.4-46.8175.9-65.9157.7000110.3A227 E230 Y231 M234 E330 L331 M332 K336 K337 F338A227-I334 HydrophobicContact CB-CG2 4.12Å; A227-I334 WeakPolarHBondContact O-CG2 3.5Å; E230-I334 HydrophobicContact CB-CG2 4.25Å; E230-I334 HydrophobicContact CG-CG2 4.23Å; Y231-I334 HydrophobicContact CD2-CD1 3.61Å; Y231-I334 HydrophobicContact CG-CD1 4.4Å; M234-I334 HydrophobicContact CE-CD1 4.21Å; M234-I334 HydrophobicContact SD-CD1 3.61Å; M234-I334 HydrophobicContact SD-CG1 4.33Å; E330-I334 HydrophobicContact CG-CD1 4.47Å; E330-I334 PolarHBondContact O-N 2.79Å; L331-I334 WeakPolarHBondContact O-CB 3.49Å; L331-I334 PolarHBondContact O-N 2.85Å; L331-I334 VanDerWaalsContact O-N 3.08Å; M332-I334 VanDerWaalsContact C-N 3.32Å; M332-I334 PolarHBondContact O-N 3.04Å; I334-K336 VanDerWaalsContact C-N 3.29Å; I334-K336 PolarHBondContact O-N 3Å; I334-K337 WeakPolarHBondContact O-CB 3.39Å; I334-K337 PolarHBondContact O-N 3.02Å; I334-K337 VanDerWaalsContact O-N 3.08Å; I334-F338 HydrophobicContact CG2-CD2 3.9Å; I334-F338 HydrophobicContact CG2-CE2 3.91Å; I334-F338 WeakPolarHBondContact O-CD2 3.37Å; I334-F338 PolarHBondContact O-N 3.46Å
335I96.8Very high90Very high31 Ų3176.9 Ų76.916%0.15936%0.362CS..Hα-helixtrans-54.9-47.3175.4-67.8171.6000110.5A227 F321 L331 M332 K337 F338 S339A227-I335 HydrophobicContact CB-CB 4.43Å; A227-I335 HydrophobicContact CB-CG1 3.92Å; F321-I335 HydrophobicContact CE2-CD1 4.2Å; L331-I335 HydrophobicContact CD1-CD1 4.03Å; L331-I335 HydrophobicContact CD1-CG1 4.14Å; L331-I335 HydrophobicContact CD2-CD1 4.42Å; L331-I335 HydrophobicContact CG-CD1 3.87Å; L331-I335 HydrophobicContact CG-CG1 4.39Å; L331-I335 WeakPolarHBondContact O-CG1 3.34Å; L331-I335 PolarHBondContact O-N 2.95Å; M332-I335 PolarHBondContact O-N 3.18Å; M332-I335 HydrophobicContact SD-CD1 4.24Å; I335-K337 VanDerWaalsContact C-N 3.34Å; I335-K337 PolarHBondContact O-N 3.02Å; I335-F338 PolarHBondContact O-N 3.11Å; I335-S339 PolarHBondContact O-N 3.39Å
336K95.2Very high89.5Confident129 Ų12975.5 Ų75.556%0.56136%0.357SS*.Hα-helixtrans-59.6-43.5177-173.9176.9179.3-178.80111.9M332 I334 F338 S339 H340M332-K336 WeakPolarHBondContact O-CB 3.04Å; M332-K336 PolarHBondContact O-N 3.49Å; I334-K336 VanDerWaalsContact C-N 3.29Å; I334-K336 PolarHBondContact O-N 3Å; K336-F338 VanDerWaalsContact C-N 3.34Å; K336-F338 PolarHBondContact O-N 3.15Å; K336-S339 WeakPolarHBondContact CA-OG 3.4Å; K336-S339 PolarHBondContact O-N 3.28Å; K336-S339 PolarHBondContact O-OG 3.1Å; K336-H340 PolarHBondContact O-CD2 2.59Å; K336-H340 PolarHBondContact O-N 3.26Å
337K94.4Very high88.9Confident124 Ų12476.5 Ų76.554%0.53936%0.36SS..Hα-helixtrans-56.5-47.6176.8-177.6-177.8175.7-175.10111.2N333 I334 I335 H340 Y341N333-K337 PolarHBondContact O-N 3.49Å; I334-K337 WeakPolarHBondContact O-CB 3.39Å; I334-K337 PolarHBondContact O-N 3.02Å; I334-K337 VanDerWaalsContact O-N 3.08Å; I335-K337 VanDerWaalsContact C-N 3.34Å; I335-K337 PolarHBondContact O-N 3.02Å; K337-H340 PolarHBondContact O-N 2.84Å; K337-Y341 HydrophobicContact CG-CE2 4.19Å; K337-Y341 WeakPolarHBondContact O-CD2 3.48Å; K337-Y341 WeakPolarHBondContact O-CE2 3.28Å
338F92.2Very high88.2Confident60 Ų6081.6 Ų81.626%0.26338%0.384SS..Hα-helixtrans-71.8-31.9-179.9-80.9-90.3000113.5S226 A227 E230 I334 I335 K336 H340 Y341S226-F338 VanDerWaalsContact CB-CE1 3.44Å; A227-F338 HydrophobicContact CB-CB 4.09Å; A227-F338 HydrophobicContact CB-CD2 3.89Å; A227-F338 HydrophobicContact CB-CG 4.12Å; E230-F338 HydrophobicContact CB-CE2 3.79Å; E230-F338 HydrophobicContact CB-CZ 3.96Å; E230-F338 HydrophobicContact CG-CE2 4Å; E230-F338 HydrophobicContact CG-CZ 4.3Å; I334-F338 HydrophobicContact CG2-CD2 3.9Å; I334-F338 HydrophobicContact CG2-CE2 3.91Å; I334-F338 WeakPolarHBondContact O-CD2 3.37Å; I334-F338 PolarHBondContact O-N 3.46Å; I335-F338 PolarHBondContact O-N 3.11Å; K336-F338 VanDerWaalsContact C-N 3.34Å; K336-F338 PolarHBondContact O-N 3.15Å; F338-H340 PolarHBondContact O-N 3.09Å; F338-Y341 PolarHBondContact O-N 3.18Å
339S84.2Confident87.5Confident62 Ų6287.3 Ų87.343%0.43441%0.41SS..Hα-helixtrans-65.9-16.4176.7670000114.9I335 K336 Y341I335-S339 PolarHBondContact O-N 3.39Å; K336-S339 WeakPolarHBondContact CA-OG 3.4Å; K336-S339 PolarHBondContact O-N 3.28Å; K336-S339 PolarHBondContact O-OG 3.1Å; S339-Y341 VanDerWaalsContact C-N 3.32Å
340H68.4Low86.6Confident136 Ų13688.8 Ų88.863%0.6342%0.415SS*.THydrogen-bonded Turntrans-85.1-5.6174.3-71.4-59.6000113.3K336 K337 F338K336-H340 PolarHBondContact O-CD2 2.59Å; K336-H340 PolarHBondContact O-N 3.26Å; K337-H340 PolarHBondContact O-N 2.84Å; F338-H340 PolarHBondContact O-N 3.09Å
341Y58.3Low85.7Confident186 Ų18693 Ų9373%0.72944%0.435SS*.  trans-111.20.9-179.4-66.3-76.3000113.6K337 F338 S339K337-Y341 HydrophobicContact CG-CE2 4.19Å; K337-Y341 WeakPolarHBondContact O-CD2 3.48Å; K337-Y341 WeakPolarHBondContact O-CE2 3.28Å; F338-Y341 PolarHBondContact O-N 3.18Å; S339-Y341 VanDerWaalsContact C-N 3.32Å
342E47.4Very low84.5Confident217 Ų217101.5 Ų101.5100%1.01447%0.474SS*.  trans-105.70172.5-67-173.7164.300111

Retrieved 342 of 342 residues in 403.9 ms (Link to these results)

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