G4VQQ6_SCHMA Loading...

Gap associated protein-related

AlphaFold DB , UniProt , Accession G4VQQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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
1M45Very low63.3Low165 Ų16594.3 Ų94.381%0.81348%0.482SS*.  0132.30-62.3-168.7-154.200107.6R7 P8M1-R7 HydrophobicContact SD-CG 4.28Å; M1-P8 HydrophobicContact CE-CG 4.44Å
2K50.3Low65.4Low161 Ų16191.3 Ų91.370%0.748%0.483SS*.  trans-67.2144.1171.2-69.5174-178.8166.20108.4G4 E5K2-G4 PolarHBondContact O-N 3.03Å; K2-G4 VanDerWaalsContact O-N 3.11Å; K2-E5 HydrophobicContact CB-CG 4.07Å; K2-E5 PolarHBondContact N-OE2 3.16Å; K2-E5 PolarHBondContact O-N 3.4Å
3I54.5Low67.1Low101 Ų10189.5 Ų89.552%0.51848%0.478SS..THydrogen-bonded Turntrans-60.5119178.2-59.9167.4000108P58 L139I3-P58 HydrophobicContact CD1-CB 3.9Å; I3-P58 HydrophobicContact CD1-CG 4.18Å; I3-P58 HydrophobicContact CG1-CB 4.48Å; I3-L139 HydrophobicContact CB-CD2 4.39Å; I3-L139 HydrophobicContact CG2-CD1 3.26Å; I3-L139 HydrophobicContact CG2-CD2 3.79Å; I3-L139 HydrophobicContact CG2-CG 3.95Å
4G53Low68.5Low43 Ų4384.2 Ų84.244%0.44345%0.45SS..THydrogen-bonded Turntrans98.8-4.8-176.800000116K2K2-G4 PolarHBondContact O-N 3.03Å; K2-G4 VanDerWaalsContact O-N 3.11Å
5E60.7Low70Confident98 Ų9888.1 Ų88.146%0.45846%0.464SS..SBendtrans-67.1138.1164.2-79.5170.2176.600109.8K2 R7K2-E5 HydrophobicContact CB-CG 4.07Å; K2-E5 PolarHBondContact N-OE2 3.16Å; K2-E5 PolarHBondContact O-N 3.4Å; E5-R7 PolarHBondContact O-N 3.4Å
6L59.7Low71.3Confident64 Ų6485.1 Ų85.134%0.33546%0.456SS..PPolyproline II helixtrans-55.3124.9171.2-81158.5000108.9Q10 V14 L43L6-Q10 HydrophobicContact CD2-CB 3.73Å; L6-V14 HydrophobicContact CD2-CG2 4.06Å; L6-L43 HydrophobicContact CD2-CB 4.34Å; L6-L43 WeakPolarHBondContact CD2-O 3.48Å
7R68.7Low72.3Confident112 Ų11281.8 Ų81.842%0.42344%0.438SS..PPolyproline II helixtrans-59147.2167-66174.4-72.7178.30.3108.2M1 E5 E9 Q10 S11M1-R7 HydrophobicContact SD-CG 4.28Å; E5-R7 PolarHBondContact O-N 3.4Å; R7-E9 PolarHBondContact O-N 3.21Å; R7-E9 VanDerWaalsContact O-N 3.16Å; R7-Q10 HydrophobicContact CB-CB 4.38Å; R7-Q10 HydrophobicContact CB-CG 4.05Å; R7-Q10 CarbonylContact O-C 3.38Å; R7-Q10 WeakPolarHBondContact O-CA 3.28Å; R7-Q10 WeakPolarHBondContact O-CB 3.23Å; R7-Q10 PolarHBondContact O-N 2.99Å; R7-S11 PolarHBondContact O-N 2.97Å
8P70.7Confident73.3Confident81 Ų8179.7 Ų79.753%0.52643%0.429SS..Hα-helixtrans-55.1-37.317920.8-32.3000112.3M1 Q10 S11 A12M1-P8 HydrophobicContact CE-CG 4.44Å; P8-Q10 VanDerWaalsContact C-N 3.32Å; P8-Q10 PolarHBondContact O-N 2.72Å; P8-S11 VanDerWaalsContact CA-OG 3.29Å; P8-S11 WeakPolarHBondContact CA-OG 3.29Å; P8-S11 PolarHBondContact O-N 3.06Å; P8-S11 PolarHBondContact O-OG 3.39Å; P8-A12 PolarHBondContact O-N 3.19Å; P8-A12 VanDerWaalsContact O-N 3.16Å
9E72.9Confident74.2Confident154 Ų15485.1 Ų85.172%0.7244%0.442SS*.Hα-helixtrans-55.7-45.6171-58.1-68.816500111.7R7 A12 T13R7-E9 PolarHBondContact O-N 3.21Å; R7-E9 VanDerWaalsContact O-N 3.16Å; E9-A12 PolarHBondContact O-N 3.19Å; E9-T13 PolarHBondContact O-N 3.04Å; E9-T13 VanDerWaalsContact O-N 3.16Å; E9-T13 PolarHBondContact O-OG1 2.86Å
10Q78.8Confident75Confident16 Ų1686.3 Ų86.38%0.07545%0.446CS..Hα-helixtrans-71-35179.8-65.2176.1-60.700112.2L6 R7 P8 A12 T13 V14 L43L6-Q10 HydrophobicContact CD2-CB 3.73Å; R7-Q10 HydrophobicContact CB-CB 4.38Å; R7-Q10 HydrophobicContact CB-CG 4.05Å; R7-Q10 CarbonylContact O-C 3.38Å; R7-Q10 WeakPolarHBondContact O-CA 3.28Å; R7-Q10 WeakPolarHBondContact O-CB 3.23Å; R7-Q10 PolarHBondContact O-N 2.99Å; P8-Q10 VanDerWaalsContact C-N 3.32Å; P8-Q10 PolarHBondContact O-N 2.72Å; Q10-A12 VanDerWaalsContact C-N 3.35Å; Q10-T13 PolarHBondContact O-N 3.35Å; Q10-V14 WeakPolarHBondContact O-CB 3.49Å; Q10-V14 WeakPolarHBondContact O-CG2 3.33Å; Q10-V14 PolarHBondContact O-N 3.31Å; Q10-L43 HydrophobicContact CB-CD2 4.28Å; Q10-L43 HydrophobicContact CG-CD2 4.04Å
11S82.4Confident75.5Confident42 Ų4283.3 Ų83.329%0.29443%0.43SS..Hα-helixtrans-63.7-41.1175.444.20000111.9R7 P8 V14 E15R7-S11 PolarHBondContact O-N 2.97Å; P8-S11 VanDerWaalsContact CA-OG 3.29Å; P8-S11 WeakPolarHBondContact CA-OG 3.29Å; P8-S11 PolarHBondContact O-N 3.06Å; P8-S11 PolarHBondContact O-OG 3.39Å; S11-V14 PolarHBondContact O-N 3.32Å; S11-E15 WeakPolarHBondContact O-CG 3.35Å; S11-E15 PolarHBondContact O-N 3.13Å
12A87.8Confident77.5Confident59 Ų5982.7 Ų82.749%0.48843%0.425SS..Hα-helixtrans-63.2-43.4175.700000111.5P8 E9 Q10 V14 E15 A16P8-A12 PolarHBondContact O-N 3.19Å; P8-A12 VanDerWaalsContact O-N 3.16Å; E9-A12 PolarHBondContact O-N 3.19Å; Q10-A12 VanDerWaalsContact C-N 3.35Å; A12-V14 VanDerWaalsContact C-N 3.35Å; A12-V14 PolarHBondContact O-N 3.27Å; A12-E15 PolarHBondContact O-N 3.02Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 2.75Å
13T87.5Confident79.3Confident68 Ų6881 Ų8142%0.41742%0.424SS..Hα-helixtrans-62.6-40.2174-49.20000112.1E9 Q10 A16 L17 L43E9-T13 PolarHBondContact O-N 3.04Å; E9-T13 VanDerWaalsContact O-N 3.16Å; E9-T13 PolarHBondContact O-OG1 2.86Å; Q10-T13 PolarHBondContact O-N 3.35Å; T13-A16 PolarHBondContact O-N 2.97Å; T13-L17 HydrophobicContact CG2-CD1 4.18Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 3.31Å; T13-L43 HydrophobicContact CG2-CD1 3.93Å
14V87.8Confident80.7Confident15 Ų1578.9 Ų78.99%0.09141%0.414CS..Hα-helixtrans-62-45.6177165.30000111L6 Q10 S11 A12 L17 V18 L40 L43 R44L6-V14 HydrophobicContact CD2-CG2 4.06Å; Q10-V14 WeakPolarHBondContact O-CB 3.49Å; Q10-V14 WeakPolarHBondContact O-CG2 3.33Å; Q10-V14 PolarHBondContact O-N 3.31Å; S11-V14 PolarHBondContact O-N 3.32Å; A12-V14 VanDerWaalsContact C-N 3.35Å; A12-V14 PolarHBondContact O-N 3.27Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.45Å; V14-V18 PolarHBondContact O-N 3.33Å; V14-L40 HydrophobicContact CB-CD2 4.33Å; V14-L40 HydrophobicContact CG1-CD2 3.99Å; V14-L40 HydrophobicContact CG2-CD2 4.38Å; V14-L43 HydrophobicContact CG2-CB 3.45Å; V14-L43 VanDerWaalsContact CG2-CB 3.45Å; V14-L43 HydrophobicContact CG2-CD1 3.83Å; V14-L43 HydrophobicContact CG2-CG 4.29Å; V14-R44 HydrophobicContact CG1-CG 4.31Å
15E89.9Confident82.2Confident142 Ų14280.8 Ų80.866%0.66441%0.413SS*.Hα-helixtrans-63.8-42.4178-72.6176.8-171.200111.9S11 A12 V18 R19S11-E15 WeakPolarHBondContact O-CG 3.35Å; S11-E15 PolarHBondContact O-N 3.13Å; A12-E15 PolarHBondContact O-N 3.02Å; E15-V18 PolarHBondContact O-N 3.29Å; E15-R19 PolarHBondContact O-N 3.44Å
16A90.9Very high83.1Confident41 Ų4178.6 Ų78.634%0.33941%0.409SS..Hα-helixtrans-60-49.417500000111.7A12 T13 V18 R19 E20A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 2.75Å; T13-A16 PolarHBondContact O-N 2.97Å; A16-V18 VanDerWaalsContact C-N 3.34Å; A16-V18 PolarHBondContact O-N 2.68Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.11Å; A16-R19 VanDerWaalsContact O-N 3.16Å; A16-E20 WeakPolarHBondContact O-CG 3.38Å; A16-E20 PolarHBondContact O-N 2.83Å
17L89.3Confident84.5Confident28 Ų2882.1 Ų82.115%0.14743%0.428CS..Hα-helixtrans-62.5-38.4178.6-76.3174.6000112.8T13 V14 R19 E20 L21 A36 E39 L40 L43T13-L17 HydrophobicContact CG2-CD1 4.18Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 3.31Å; V14-L17 PolarHBondContact O-N 2.85Å; L17-R19 VanDerWaalsContact C-N 3.34Å; L17-E20 PolarHBondContact O-N 3.37Å; L17-L21 WeakPolarHBondContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.36Å; L17-A36 HydrophobicContact CD2-CB 4.46Å; L17-E39 HydrophobicContact CD1-CB 4.21Å; L17-E39 HydrophobicContact CD1-CG 3.6Å; L17-L40 HydrophobicContact CB-CD2 3.61Å; L17-L40 HydrophobicContact CB-CG 4.01Å; L17-L40 HydrophobicContact CD1-CD2 4.14Å; L17-L40 HydrophobicContact CD1-CG 4.42Å; L17-L43 HydrophobicContact CD1-CD1 3.95Å
18V89.3Confident85.6Confident44 Ų4479.3 Ų79.327%0.26743%0.429SS..Hα-helixtrans-63-42.9175169.30000111V14 E15 A16 Q22 L40V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.45Å; V14-V18 PolarHBondContact O-N 3.33Å; E15-V18 PolarHBondContact O-N 3.29Å; A16-V18 VanDerWaalsContact C-N 3.34Å; A16-V18 PolarHBondContact O-N 2.68Å; V18-Q22 WeakPolarHBondContact O-CG 3.45Å; V18-Q22 PolarHBondContact O-N 3.24Å; V18-L40 HydrophobicContact CG2-CD1 3.83Å; V18-L40 HydrophobicContact CG2-CD2 3.94Å
19R91.2Very high86.5Confident182 Ų18280.8 Ų80.869%0.68743%0.427SS*.Hα-helixtrans-66.1-42.7177.5-179.2-177174.1-169.7-2.3111.7E15 A16 L17 Q22 N23E15-R19 PolarHBondContact O-N 3.44Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.11Å; A16-R19 VanDerWaalsContact O-N 3.16Å; L17-R19 VanDerWaalsContact C-N 3.34Å; R19-Q22 PolarHBondContact O-N 3.11Å; R19-N23 PolarHBondContact O-N 2.92Å; R19-N23 PolarHBondContact O-ND2 3.26Å
20E89.8Confident87.3Confident110 Ų11077.4 Ų77.451%0.51442%0.419SS..Hα-helixtrans-64.4-44.9178.1-73.4174-16000111.2A16 L17 Q22 N23 L24A16-E20 WeakPolarHBondContact O-CG 3.38Å; A16-E20 PolarHBondContact O-N 2.83Å; L17-E20 PolarHBondContact O-N 3.37Å; E20-Q22 PolarHBondContact O-N 3.2Å; E20-N23 PolarHBondContact O-N 3.39Å; E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.06Å; E20-L24 PolarHBondContact O-N 3.43Å
21L85.7Confident87.7Confident23 Ų2380.4 Ų80.412%0.1245%0.446CS..Hα-helixtrans-58.3-29.5175.8-84.1179.8000114.1L17 N23 L24 Y33 A36 E37 L40L17-L21 WeakPolarHBondContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.36Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L21-Y33 HydrophobicContact CD2-CD2 3.6Å; L21-Y33 HydrophobicContact CD2-CE2 3.85Å; L21-Y33 HydrophobicContact CD2-CG 4.14Å; L21-A36 HydrophobicContact CD1-CB 4.07Å; L21-A36 HydrophobicContact CD2-CB 3.53Å; L21-A36 HydrophobicContact CG-CB 3.78Å; L21-E37 HydrophobicContact CD1-CG 4.29Å; L21-L40 HydrophobicContact CD1-CD1 3.38Å; L21-L40 HydrophobicContact CD1-CG 4.36Å
22Q87.1Confident88.1Confident152 Ų15282.7 Ų82.771%0.7146%0.455SS*.Hα-helixtrans-72.1-27.6174.8-72172.7-3.200112.9V18 R19 E20V18-Q22 WeakPolarHBondContact O-CG 3.45Å; V18-Q22 PolarHBondContact O-N 3.24Å; R19-Q22 PolarHBondContact O-N 3.11Å; E20-Q22 PolarHBondContact O-N 3.2Å
23N88Confident88.1Confident127 Ų12783.5 Ų83.568%0.67945%0.446SS*.Hα-helixtrans-92.6-19.7179.5-63-52.4000112.7R19 E20 L21R19-N23 PolarHBondContact O-N 2.92Å; R19-N23 PolarHBondContact O-ND2 3.26Å; E20-N23 PolarHBondContact O-N 3.39Å; L21-N23 VanDerWaalsContact C-N 3.33Å
24L83.8Confident88.1Confident56 Ų5683 Ų8329%0.29345%0.445SS..SBendtrans-78.7125.1177.8-70.9171.7000110.5E20 L21 S26E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.06Å; E20-L24 PolarHBondContact O-N 3.43Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L24-S26 PolarHBondContact O-N 3.11Å
25D83.8Confident88.2Confident82 Ų8287.7 Ų87.744%0.43947%0.469SS..  trans-73118.6169.2178.412000110.1N27 A28 F29D25-N27 PolarHBondContact O-N 3.39Å; D25-N27 PolarHBondContact OD1-N 3.31Å; D25-A28 HydrophobicContact CB-CB 3.98Å; D25-A28 PolarHBondContact O-N 3.49Å; D25-F29 PolarHBondContact O-N 3.02Å; D25-F29 VanDerWaalsContact O-N 3.13Å
26S81.2Confident88.1Confident52 Ų5281.5 Ų81.536%0.36444%0.442SS..THydrogen-bonded Turntrans-61.7-27178.658.70000113.1L24 P30L24-S26 PolarHBondContact O-N 3.11Å; S26-P30 WeakPolarHBondContact O-CA 3.36Å
27N87.7Confident87.8Confident138 Ų13884 Ų8474%0.73845%0.447SS*.THydrogen-bonded Turntrans-82.5-34.9-179.7-60.3-48.8000112D25D25-N27 PolarHBondContact O-N 3.39Å; D25-N27 PolarHBondContact OD1-N 3.31Å
28A91.2Very high87.7Confident53 Ų5387.4 Ų87.444%0.43847%0.465SS..THydrogen-bonded Turntrans-73.4-40178.100000112.2D25D25-A28 HydrophobicContact CB-CB 3.98Å; D25-A28 PolarHBondContact O-N 3.49Å
29F90.7Very high87.7Confident113 Ų11388 Ų8850%0.49647%0.465SS..  trans-132.165.5-174.8-55.2-75000113D25 A31 L32 Y33D25-F29 PolarHBondContact O-N 3.02Å; D25-F29 VanDerWaalsContact O-N 3.13Å; F29-A31 VanDerWaalsContact C-N 3.27Å; F29-A31 PolarHBondContact O-N 3.17Å; F29-L32 HydrophobicContact CB-CB 4.05Å; F29-L32 HydrophobicContact CB-CD1 4.05Å; F29-L32 HydrophobicContact CB-CG 4.32Å; F29-L32 HydrophobicContact CD1-CD1 4.2Å; F29-L32 HydrophobicContact CG-CD1 4.2Å; F29-L32 PolarHBondContact O-N 3.48Å; F29-Y33 PolarHBondContact O-N 3.29Å
30P88.7Confident87.5Confident83 Ų8379.9 Ų79.954%0.53944%0.435SS..Hα-helixtrans-61.1-35.5-176.624.1-34.5000112.9S26 S34S26-P30 WeakPolarHBondContact O-CA 3.36Å; P30-S34 WeakPolarHBondContact O-CB 3.19Å; P30-S34 PolarHBondContact O-N 3.06Å
31A88.4Confident87.2Confident79 Ų7978 Ų7865%0.65343%0.425SS*.Hα-helixtrans-67.4-41.7178.900000112.5F29 L35F29-A31 VanDerWaalsContact C-N 3.27Å; F29-A31 PolarHBondContact O-N 3.17Å; A31-L35 WeakPolarHBondContact O-CB 3.43Å; A31-L35 PolarHBondContact O-N 2.76Å
32L89.8Confident87.2Confident90 Ų9079 Ų7947%0.47143%0.428SS..Hα-helixtrans-69.6-40.5177.1-68.9177.9000111.2F29 S34 L35 A36F29-L32 HydrophobicContact CB-CB 4.05Å; F29-L32 HydrophobicContact CB-CD1 4.05Å; F29-L32 HydrophobicContact CB-CG 4.32Å; F29-L32 HydrophobicContact CD1-CD1 4.2Å; F29-L32 HydrophobicContact CG-CD1 4.2Å; F29-L32 PolarHBondContact O-N 3.48Å; L32-S34 PolarHBondContact O-N 2.65Å; L32-L35 PolarHBondContact O-N 3.1Å; L32-A36 WeakPolarHBondContact O-CB 3.31Å; L32-A36 PolarHBondContact O-N 2.83Å
33Y87.6Confident87.2Confident76 Ų7672 Ų7230%0.29840%0.395SS..Hα-helixtrans-57.5-50175-169.2-88.9000111L21 F29 L35 A36 E37L21-Y33 HydrophobicContact CD2-CD2 3.6Å; L21-Y33 HydrophobicContact CD2-CE2 3.85Å; L21-Y33 HydrophobicContact CD2-CG 4.14Å; F29-Y33 PolarHBondContact O-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.15Å; Y33-A36 PolarHBondContact O-N 3.36Å; Y33-E37 HydrophobicContact CD1-CG 4.08Å; Y33-E37 HydrophobicContact CE1-CG 3.81Å; Y33-E37 VanDerWaalsContact CE1-OE1 3.28Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.34Å; Y33-E37 WeakPolarHBondContact O-CG 3.32Å; Y33-E37 PolarHBondContact O-N 3.07Å
34S87.7Confident87Confident57 Ų5772.1 Ų72.140%0.39939%0.386SS..Hα-helixtrans-60.8-43.2176.7179.40000112.6P30 L32 A36 E37 N38P30-S34 WeakPolarHBondContact O-CB 3.19Å; P30-S34 PolarHBondContact O-N 3.06Å; L32-S34 PolarHBondContact O-N 2.65Å; S34-A36 PolarHBondContact O-N 3.16Å; S34-E37 PolarHBondContact O-N 3.32Å; S34-N38 WeakPolarHBondContact O-CB 3.16Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.49Å; S34-N38 PolarHBondContact O-ND2 2.98Å
35L89.7Confident86.8Confident113 Ų11370 Ų7059%0.59238%0.377SS*.Hα-helixtrans-60.5-46.9177.1179.962.5000111.6A31 L32 Y33 N38 E39A31-L35 WeakPolarHBondContact O-CB 3.43Å; A31-L35 PolarHBondContact O-N 2.76Å; L32-L35 PolarHBondContact O-N 3.1Å; Y33-L35 PolarHBondContact O-N 3.15Å; L35-N38 PolarHBondContact O-N 3.45Å; L35-E39 WeakPolarHBondContact O-CB 3.31Å; L35-E39 PolarHBondContact O-N 3Å
36A88.3Confident86.8Confident12 Ų1266.8 Ų66.810%0.09936%0.364CS..Hα-helixtrans-67.4-37.4179.600000112.4L17 L21 L32 Y33 S34 E39 L40L17-A36 HydrophobicContact CD2-CB 4.46Å; L21-A36 HydrophobicContact CD1-CB 4.07Å; L21-A36 HydrophobicContact CD2-CB 3.53Å; L21-A36 HydrophobicContact CG-CB 3.78Å; L32-A36 WeakPolarHBondContact O-CB 3.31Å; L32-A36 PolarHBondContact O-N 2.83Å; Y33-A36 PolarHBondContact O-N 3.36Å; S34-A36 PolarHBondContact O-N 3.16Å; A36-E39 PolarHBondContact O-N 3.24Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 3.33Å
37E85.8Confident87.1Confident94 Ų9465.3 Ų65.344%0.43935%0.352SS..Hα-helixtrans-63.3-43.9172.6-76-162.8138.400112.5L21 Y33 S34 E39 L40 F41L21-E37 HydrophobicContact CD1-CG 4.29Å; Y33-E37 HydrophobicContact CD1-CG 4.08Å; Y33-E37 HydrophobicContact CE1-CG 3.81Å; Y33-E37 VanDerWaalsContact CE1-OE1 3.28Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.34Å; Y33-E37 WeakPolarHBondContact O-CG 3.32Å; Y33-E37 PolarHBondContact O-N 3.07Å; S34-E37 PolarHBondContact O-N 3.32Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 2.96Å; E37-L40 PolarHBondContact O-N 3.23Å; E37-F41 WeakPolarHBondContact O-CB 3.39Å; E37-F41 PolarHBondContact O-N 3.3Å
38N86.9Confident86.8Confident99 Ų9960 Ų6053%0.52933%0.326SS..Hα-helixtrans-63.6-40.1177.1-72.1-37.6000111.4S34 L35 F41 R42S34-N38 WeakPolarHBondContact O-CB 3.16Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.49Å; S34-N38 PolarHBondContact O-ND2 2.98Å; L35-N38 PolarHBondContact O-N 3.45Å; N38-F41 WeakPolarHBondContact O-CB 3.37Å; N38-F41 PolarHBondContact O-N 3.04Å; N38-R42 WeakPolarHBondContact O-CB 3.28Å; N38-R42 PolarHBondContact O-N 3.12Å
39E89.5Confident86.4Confident56 Ų5661.7 Ų61.726%0.26233%0.328SS..Hα-helixtrans-67.3-43.1176.8-176.359.7-167.200111.8L17 L35 A36 E37 F41 R42 L43L17-E39 HydrophobicContact CD1-CB 4.21Å; L17-E39 HydrophobicContact CD1-CG 3.6Å; L35-E39 WeakPolarHBondContact O-CB 3.31Å; L35-E39 PolarHBondContact O-N 3Å; A36-E39 PolarHBondContact O-N 3.24Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 2.96Å; E39-F41 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 3.17Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 3.06Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NE 3.08Å; E39-R42 PolarHBondContact OE1-NE 3.49Å; E39-R42 IonicContact OE1-NH2 3.51Å; E39-R42 PolarHBondContact OE1-NH2 3.1Å; E39-R42 IonicContact OE2-CZ 3.41Å; E39-R42 IonicContact OE2-NE 3.43Å; E39-R42 PolarHBondContact OE2-NE 3.36Å; E39-R42 IonicContact OE2-NH2 3.73Å; E39-R42 PolarHBondContact OE2-NH2 2.93Å; E39-L43 HydrophobicContact CG-CD1 4.1Å; E39-L43 HydrophobicContact CG-CG 4.44Å; E39-L43 WeakPolarHBondContact O-CG 3.29Å; E39-L43 PolarHBondContact O-N 3.18Å
40L86.2Confident86.2Confident12 Ų1260 Ų606%0.06333%0.33CS..Hα-helixtrans-59.2-42.2172.2-79.3-176.5000112.1V14 L17 V18 L21 A36 E37 R42 R44V14-L40 HydrophobicContact CB-CD2 4.33Å; V14-L40 HydrophobicContact CG1-CD2 3.99Å; V14-L40 HydrophobicContact CG2-CD2 4.38Å; L17-L40 HydrophobicContact CB-CD2 3.61Å; L17-L40 HydrophobicContact CB-CG 4.01Å; L17-L40 HydrophobicContact CD1-CD2 4.14Å; L17-L40 HydrophobicContact CD1-CG 4.42Å; V18-L40 HydrophobicContact CG2-CD1 3.83Å; V18-L40 HydrophobicContact CG2-CD2 3.94Å; L21-L40 HydrophobicContact CD1-CD1 3.38Å; L21-L40 HydrophobicContact CD1-CG 4.36Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 3.33Å; E37-L40 PolarHBondContact O-N 3.23Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 2.85Å; L40-R44 WeakPolarHBondContact O-CB 3.47Å; L40-R44 WeakPolarHBondContact O-CG 3.24Å; L40-R44 PolarHBondContact O-N 3.43Å
41F82.8Confident86.2Confident70 Ų7060.4 Ų60.431%0.30732%0.324SS..Hα-helixtrans-61.5-40.6176.1179.8-97.3000111.5E37 N38 E39 G45 I47 R62E37-F41 WeakPolarHBondContact O-CB 3.39Å; E37-F41 PolarHBondContact O-N 3.3Å; N38-F41 WeakPolarHBondContact O-CB 3.37Å; N38-F41 PolarHBondContact O-N 3.04Å; E39-F41 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 3.17Å; F41-G45 PolarHBondContact O-N 3.48Å; F41-I47 HydrophobicContact CE1-CD1 4.41Å; F41-R62 VanDerWaalsContact CZ-NH1 3.31Å
42R86.7Confident86.1Confident46 Ų4660.3 Ų60.317%0.17431%0.312CS..Hα-helixtrans-65.7-50.9178.4-169.6-173.268.392.5-17112.3N38 E39 L40 G45 G46 I47 D49N38-R42 WeakPolarHBondContact O-CB 3.28Å; N38-R42 PolarHBondContact O-N 3.12Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 3.06Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NE 3.08Å; E39-R42 PolarHBondContact OE1-NE 3.49Å; E39-R42 IonicContact OE1-NH2 3.51Å; E39-R42 PolarHBondContact OE1-NH2 3.1Å; E39-R42 IonicContact OE2-CZ 3.41Å; E39-R42 IonicContact OE2-NE 3.43Å; E39-R42 PolarHBondContact OE2-NE 3.36Å; E39-R42 IonicContact OE2-NH2 3.73Å; E39-R42 PolarHBondContact OE2-NH2 2.93Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 2.85Å; R42-G45 PolarHBondContact O-N 2.63Å; R42-G46 PolarHBondContact O-N 3.4Å; R42-I47 HydrophobicContact CG-CB 3.78Å; R42-I47 HydrophobicContact CG-CD1 4.43Å; R42-I47 HydrophobicContact CG-CG2 4.19Å; R42-I47 PolarHBondContact NH1-O 3.14Å; R42-I47 PolarHBondContact O-N 2.91Å; R42-I47 VanDerWaalsContact O-N 3.07Å; R42-D49 IonicContact CZ-OD2 3.84Å; R42-D49 VanDerWaalsContact CZ-OD2 3.24Å; R42-D49 IonicContact NH1-OD1 3.83Å; R42-D49 IonicContact NH1-OD2 3.47Å; R42-D49 PolarHBondContact NH1-OD2 3.34Å; R42-D49 IonicContact NH2-OD2 2.81Å; R42-D49 PolarHBondContact NH2-OD2 2.88Å
43L86.4Confident86Confident5 Ų561.8 Ų61.83%0.02632%0.32CS..Hα-helixtrans-64.1-51.6-179.4-66.6175.5000110.9L6 Q10 T13 V14 L17 E39 G45 G46L6-L43 HydrophobicContact CD2-CB 4.34Å; L6-L43 WeakPolarHBondContact CD2-O 3.48Å; Q10-L43 HydrophobicContact CB-CD2 4.28Å; Q10-L43 HydrophobicContact CG-CD2 4.04Å; T13-L43 HydrophobicContact CG2-CD1 3.93Å; V14-L43 HydrophobicContact CG2-CB 3.45Å; V14-L43 VanDerWaalsContact CG2-CB 3.45Å; V14-L43 HydrophobicContact CG2-CD1 3.83Å; V14-L43 HydrophobicContact CG2-CG 4.29Å; L17-L43 HydrophobicContact CD1-CD1 3.95Å; E39-L43 HydrophobicContact CG-CD1 4.1Å; E39-L43 HydrophobicContact CG-CG 4.44Å; E39-L43 WeakPolarHBondContact O-CG 3.29Å; E39-L43 PolarHBondContact O-N 3.18Å; L43-G45 PolarHBondContact O-N 2.95Å; L43-G46 PolarHBondContact O-N 2.98Å
44R83.6Confident86.3Confident128 Ų12865.1 Ų65.148%0.48335%0.348SS..Hα-helixtrans-60.8-31.4176.7-68.9174.7178.6177.31.7112.6V14 L40 G46V14-R44 HydrophobicContact CG1-CG 4.31Å; L40-R44 WeakPolarHBondContact O-CB 3.47Å; L40-R44 WeakPolarHBondContact O-CG 3.24Å; L40-R44 PolarHBondContact O-N 3.43Å; R44-G46 PolarHBondContact O-N 3.41Å
45G81Confident86.2Confident11 Ų1164.7 Ų64.711%0.11335%0.345CS..THydrogen-bonded Turntrans-74.7-10.8176.300000114.5F41 R42 L43 I47 K60F41-G45 PolarHBondContact O-N 3.48Å; R42-G45 PolarHBondContact O-N 2.63Å; L43-G45 PolarHBondContact O-N 2.95Å; G45-I47 VanDerWaalsContact C-N 3.27Å; G45-I47 PolarHBondContact O-N 3Å; G45-K60 PolarHBondContact O-NZ 2.94Å
46G82.7Confident86Confident15 Ų1563.1 Ų63.116%0.15534%0.337CS..THydrogen-bonded Turntrans64.829.9-174.400000113R42 L43 R44R42-G46 PolarHBondContact O-N 3.4Å; L43-G46 PolarHBondContact O-N 2.98Å; R44-G46 PolarHBondContact O-N 3.41Å
47I87Confident86.1Confident22 Ų2268.8 Ų68.811%0.11336%0.36CS..  trans-83.9127.3-176.4-55.4167.3000109.2F41 R42 G45 R62F41-I47 HydrophobicContact CE1-CD1 4.41Å; R42-I47 HydrophobicContact CG-CB 3.78Å; R42-I47 HydrophobicContact CG-CD1 4.43Å; R42-I47 HydrophobicContact CG-CG2 4.19Å; R42-I47 PolarHBondContact NH1-O 3.14Å; R42-I47 PolarHBondContact O-N 2.91Å; R42-I47 VanDerWaalsContact O-N 3.07Å; G45-I47 VanDerWaalsContact C-N 3.27Å; G45-I47 PolarHBondContact O-N 3Å; I47-R62 HydrophobicContact CD1-CB 3.73Å; I47-R62 HydrophobicContact CD1-CG 4.17Å; I47-R62 HydrophobicContact CG1-CB 3.96Å; I47-R62 HydrophobicContact CG2-CB 4.43Å
48A82.1Confident86.3Confident25 Ų2567.5 Ų67.521%0.20736%0.359CS..  trans-72.3136.8179.100000111.9F51 V59 K60A48-F51 HydrophobicContact CB-CE1 4.09Å; A48-V59 HydrophobicContact CB-CB 3.95Å; A48-V59 HydrophobicContact CB-CG1 4.03Å; A48-K60 PolarHBondContact N-O 3.48Å; A48-K60 VanDerWaalsContact N-O 3.11Å
49D82.5Confident86.5Confident90 Ų9063.6 Ų63.648%0.48134%0.339SS..SBendtrans-98-25.616844.513.3000113R42R42-D49 IonicContact CZ-OD2 3.84Å; R42-D49 VanDerWaalsContact CZ-OD2 3.24Å; R42-D49 IonicContact NH1-OD1 3.83Å; R42-D49 IonicContact NH1-OD2 3.47Å; R42-D49 PolarHBondContact NH1-OD2 3.34Å; R42-D49 IonicContact NH2-OD2 2.81Å; R42-D49 PolarHBondContact NH2-OD2 2.88Å
50S86.5Confident86.6Confident76 Ų7663.1 Ų63.153%0.53134%0.336SS..SBendtrans-133.5142.7-17251.50000109.5
51F88.3Confident86.9Confident92 Ų9263.5 Ų63.540%0.40434%0.339SS..  trans-116.4122.3-177.6-54.1-63.4000109.5A48 L53 V59 V61 P142A48-F51 HydrophobicContact CB-CE1 4.09Å; F51-L53 HydrophobicContact CB-CD2 4.22Å; F51-L53 PolarHBondContact O-N 3.38Å; F51-V59 HydrophobicContact CD1-CB 4.4Å; F51-V59 HydrophobicContact CD1-CG1 4.15Å; F51-V59 HydrophobicContact CD1-CG2 3.95Å; F51-V59 HydrophobicContact CE1-CB 4.4Å; F51-V59 HydrophobicContact CE1-CG2 3.9Å; F51-V61 HydrophobicContact CE1-CG2 4.19Å; F51-V61 HydrophobicContact CZ-CG2 4.4Å; F51-P142 HydrophobicContact CB-CB 4.12Å; F51-P142 HydrophobicContact CB-CG 4.23Å; F51-P142 HydrophobicContact CD1-CB 3.98Å; F51-P142 HydrophobicContact CD1-CG 4.23Å; F51-P142 HydrophobicContact CG-CB 4.15Å
52D87.5Confident87.4Confident78 Ų7862.3 Ų62.342%0.41733%0.333SS..  trans-91.697.5169178.9-2.7000108.7V54 S55 N56D52-V54 VanDerWaalsContact C-N 3.27Å; D52-V54 PolarHBondContact O-N 3.27Å; D52-V54 PolarHBondContact OD1-N 3.39Å; D52-S55 PolarHBondContact OD1-N 2.71Å; D52-S55 WeakPolarHBondContact OD2-CB 3.43Å; D52-S55 PolarHBondContact OD2-OG 3.22Å; D52-N56 PolarHBondContact O-N 3.28Å
53L87.7Confident87.7Confident121 Ų12161.1 Ų61.163%0.63433%0.332SS*.THydrogen-bonded Turntrans-73.8-19.1-179.6-59.4-175.2000112.9F51 P142F51-L53 HydrophobicContact CB-CD2 4.22Å; F51-L53 PolarHBondContact O-N 3.38Å; L53-P142 HydrophobicContact CD2-CB 3.9Å; L53-P142 HydrophobicContact CD2-CG 4.22Å
54V92.8Very high88.1Confident146 Ų14665 Ų6589%0.88535%0.349SS*.THydrogen-bonded Turntrans-76.9-47.4178.2-179.80000109.7D52 N56D52-V54 VanDerWaalsContact C-N 3.27Å; D52-V54 PolarHBondContact O-N 3.27Å; D52-V54 PolarHBondContact OD1-N 3.39Å; V54-N56 VanDerWaalsContact C-N 3.28Å
55S86.6Confident88.6Confident48 Ų4860.6 Ų60.634%0.33633%0.334SS..THydrogen-bonded Turntrans-78.4-15.7176.170.70000113.4D52 K57D52-S55 PolarHBondContact OD1-N 2.71Å; D52-S55 WeakPolarHBondContact OD2-CB 3.43Å; D52-S55 PolarHBondContact OD2-OG 3.22Å; S55-K57 PolarHBondContact O-N 2.98Å; S55-K57 VanDerWaalsContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CE 3.39Å; S55-K57 VanDerWaalsContact OG-CG 3.29Å; S55-K57 WeakPolarHBondContact OG-CG 3.19Å
56N86.3Confident89.3Confident79 Ų7966.2 Ų66.242%0.42236%0.358SS..THydrogen-bonded Turntrans47.534179.9-162.433.8000112.7D52 V54 P142D52-N56 PolarHBondContact O-N 3.28Å; V54-N56 VanDerWaalsContact C-N 3.28Å; N56-P142 WeakPolarHBondContact OD1-CD 3.4Å
57K88.5Confident89.8Confident131 Ų13165.9 Ų65.957%0.5735%0.353SS*.  trans-64.6139.1-175.3-78.2168.5-174165.30109.7S55 V59S55-K57 PolarHBondContact O-N 2.98Å; S55-K57 VanDerWaalsContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CE 3.39Å; S55-K57 VanDerWaalsContact OG-CG 3.29Å; S55-K57 WeakPolarHBondContact OG-CG 3.19Å; K57-V59 PolarHBondContact O-N 3.13Å
58P90.3Very high90Very high67 Ų6766.9 Ų66.944%0.43536%0.36SS..  trans-55.9129.9173.7-25.934.2000111.3I3 G140I3-P58 HydrophobicContact CD1-CB 3.9Å; I3-P58 HydrophobicContact CD1-CG 4.18Å; I3-P58 HydrophobicContact CG1-CB 4.48Å; P58-G140 CarbonylContact C-O 3.57Å; P58-G140 WeakPolarHBondContact CA-O 3.05Å
59V91Very high90.2Very high18 Ų1869.4 Ų69.411%0.10937%0.368CS..EExtended strand (participates in β ladder)trans-119.8156178.2-67.60000110A48 F51 K57 V61 L139 G140 P142A48-V59 HydrophobicContact CB-CB 3.95Å; A48-V59 HydrophobicContact CB-CG1 4.03Å; F51-V59 HydrophobicContact CD1-CB 4.4Å; F51-V59 HydrophobicContact CD1-CG1 4.15Å; F51-V59 HydrophobicContact CD1-CG2 3.95Å; F51-V59 HydrophobicContact CE1-CB 4.4Å; F51-V59 HydrophobicContact CE1-CG2 3.9Å; K57-V59 PolarHBondContact O-N 3.13Å; V59-V61 HydrophobicContact CG2-CG2 4.22Å; V59-L139 WeakPolarHBondContact O-CD1 3.21Å; V59-G140 PolarHBondContact N-O 3.19Å; V59-G140 PolarHBondContact O-N 3.49Å; V59-P142 HydrophobicContact CG1-CG 4.37Å; V59-P142 HydrophobicContact CG2-CB 4.22Å; V59-P142 HydrophobicContact CG2-CG 3.95Å
60K91.8Very high90.5Very high46 Ų4670.8 Ų70.820%0.237%0.371CS..EExtended strand (participates in β ladder)trans-104.3122.5170-175-178.5172.6-171.20108.9G45 A48 S138 L139G45-K60 PolarHBondContact O-NZ 2.94Å; A48-K60 PolarHBondContact N-O 3.48Å; A48-K60 VanDerWaalsContact N-O 3.11Å; K60-S138 WeakPolarHBondContact CA-O 3.47Å; K60-L139 HydrophobicContact CB-CD1 3.75Å; K60-L139 HydrophobicContact CG-CD1 4.34Å
61V92.7Very high90.7Very high19 Ų1972.9 Ų72.912%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-113.1137.3173.8-1650000108.1F51 V59 S138 L149F51-V61 HydrophobicContact CE1-CG2 4.19Å; F51-V61 HydrophobicContact CZ-CG2 4.4Å; V59-V61 HydrophobicContact CG2-CG2 4.22Å; V61-S138 PolarHBondContact N-O 3.22Å; V61-S138 PolarHBondContact O-N 3.28Å; V61-L149 HydrophobicContact CB-CD2 4.17Å; V61-L149 HydrophobicContact CG1-CD2 3.47Å; V61-L149 VanDerWaalsContact CG1-CD2 3.47Å
62R93.4Very high90.8Very high46 Ų4674.9 Ų74.917%0.17438%0.379CS..EExtended strand (participates in β ladder)trans-129134.9-179176.1178.4-64-178-13.9110F41 I47 Q135 V136 D137F41-R62 VanDerWaalsContact CZ-NH1 3.31Å; I47-R62 HydrophobicContact CD1-CB 3.73Å; I47-R62 HydrophobicContact CD1-CG 4.17Å; I47-R62 HydrophobicContact CG1-CB 3.96Å; I47-R62 HydrophobicContact CG2-CB 4.43Å; R62-Q135 HydrophobicContact CG-CG 3.81Å; R62-Q135 VanDerWaalsContact CZ-NE2 3.26Å; R62-V136 CarbonylContact C-O 3.43Å; R62-V136 VanDerWaalsContact CA-O 3.27Å; R62-V136 WeakPolarHBondContact CA-O 3.38Å; R62-D137 VanDerWaalsContact CB-OD1 3.24Å; R62-D137 WeakPolarHBondContact CB-OD1 3.42Å; R62-D137 WeakPolarHBondContact CD-OD1 3.35Å; R62-D137 WeakPolarHBondContact CG-OD1 3.35Å; R62-D137 IonicContact CZ-OD1 3.98Å; R62-D137 IonicContact CZ-OD2 2.83Å; R62-D137 IonicContact NE-OD1 2.65Å; R62-D137 PolarHBondContact NE-OD1 3.39Å; R62-D137 IonicContact NE-OD2 3.33Å; R62-D137 IonicContact NH2-OD1 3.06Å; R62-D137 PolarHBondContact NH2-OD1 3.42Å; R62-D137 IonicContact NH2-OD2 3.69Å; R62-D137 PolarHBondContact NH2-OD2 3.27Å; R62-D137 VanDerWaalsContact NH2-OD2 3.08Å
63A93.9Very high90.9Very high20 Ų2076.2 Ų76.217%0.16539%0.392CS..EExtended strand (participates in β ladder)trans-113.2146.6163.800000110.5Q135 V136 L149 L153A63-Q135 WeakPolarHBondContact O-CA 3.1Å; A63-V136 PolarHBondContact N-O 3.05Å; A63-V136 PolarHBondContact O-N 2.99Å; A63-L149 HydrophobicContact CB-CD1 3.82Å; A63-L149 HydrophobicContact CB-CD2 4.3Å; A63-L149 HydrophobicContact CB-CG 4.4Å; A63-L153 HydrophobicContact CB-CD2 4.18Å
64K93.6Very high90.9Very high87 Ų8775.1 Ų75.138%0.37840%0.4SS..EExtended strand (participates in β ladder)trans-116.4120171.4173.9167.4172.1170.30108.2H133K64-H133 HydrophobicContact CD-CB 4.34Å; K64-H133 WeakPolarHBondContact CE-ND1 3.24Å; K64-H133 HydrophobicContact CG-CB 3.86Å
65I95.3Very high90.8Very high35 Ų3571 Ų7118%0.17937%0.372CS..EExtended strand (participates in β ladder)trans-108.5112179.5-52.1170.6000107.4H133 L134 V136 L153 V156 M160I65-H133 CarbonylContact O-C 3.57Å; I65-H133 WeakPolarHBondContact O-CA 3.49Å; I65-H133 VanDerWaalsContact O-CB 3.24Å; I65-H133 WeakPolarHBondContact O-CB 3.18Å; I65-L134 HydrophobicContact CB-CB 4.31Å; I65-L134 HydrophobicContact CD1-CD2 4.26Å; I65-L134 PolarHBondContact N-O 3.26Å; I65-L134 PolarHBondContact O-N 3.24Å; I65-V136 HydrophobicContact CD1-CG2 4.02Å; I65-L153 HydrophobicContact CD1-CD2 3.46Å; I65-L153 VanDerWaalsContact CD1-CD2 3.46Å; I65-L153 HydrophobicContact CG1-CD2 3.88Å; I65-V156 HydrophobicContact CD1-CB 4.41Å; I65-V156 HydrophobicContact CD1-CG1 3.86Å; I65-M160 HydrophobicContact CG2-CE 4.47Å; I65-M160 HydrophobicContact CG2-SD 4.09Å
66E94.5Very high90.9Very high129 Ų12974.8 Ų74.860%0.60339%0.389SS*.EExtended strand (participates in β ladder)trans-68.8134.5176.4-59.2-167.4155.700110.6
67I94.2Very high91.3Very high9 Ų971.6 Ų71.65%0.04637%0.371CS..  trans-96.6115.2177.9-61-176.3000108Q69 F77 L81 L132 L134 M160I67-Q69 PolarHBondContact O-N 3.18Å; I67-F77 HydrophobicContact CG2-CB 3.46Å; I67-F77 VanDerWaalsContact CG2-CB 3.46Å; I67-F77 HydrophobicContact CG2-CD2 3.69Å; I67-F77 HydrophobicContact CG2-CG 3.68Å; I67-L81 HydrophobicContact CD1-CD1 3.87Å; I67-L132 HydrophobicContact CB-CB 4.44Å; I67-L132 HydrophobicContact CB-CD2 3.96Å; I67-L132 HydrophobicContact CB-CG 4Å; I67-L132 HydrophobicContact CD1-CD2 4.28Å; I67-L132 HydrophobicContact CD1-CG 4.12Å; I67-L132 HydrophobicContact CG1-CG 4.44Å; I67-L132 HydrophobicContact CG2-CD2 3.84Å; I67-L132 HydrophobicContact CG2-CG 4.43Å; I67-L132 PolarHBondContact N-O 3.19Å; I67-L134 HydrophobicContact CD1-CB 4.48Å; I67-M160 HydrophobicContact CB-CE 4.37Å; I67-M160 HydrophobicContact CG1-CE 3.81Å; I67-M160 HydrophobicContact CG2-CE 4.37Å
68P90.5Very high91.5Very high42 Ų4267.1 Ų67.127%0.27336%0.355SS..  trans-80.361.5-172.134.1-37.4000112.4E70 Q71 Y72 F77P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 3.46Å; P68-Q71 HydrophobicContact CB-CB 4.34Å; P68-Q71 PolarHBondContact O-N 3.36Å; P68-Y72 HydrophobicContact CB-CD2 4.21Å; P68-Y72 HydrophobicContact CG-CD2 4.08Å; P68-Y72 HydrophobicContact CG-CE2 4.46Å; P68-Y72 PolarHBondContact O-N 3.48Å; P68-F77 HydrophobicContact CG-CE2 4.28Å; P68-F77 HydrophobicContact CG-CZ 4.04Å
69Q87.1Confident91.6Very high78 Ų7866 Ų6636%0.36436%0.356SS..THydrogen-bonded Turntrans-69-26179.168.7179.8-100113I67 Y72 P73 L132I67-Q69 PolarHBondContact O-N 3.18Å; Q69-Y72 CarbonylContact O-C 3.47Å; Q69-P73 WeakPolarHBondContact O-CA 3.42Å; Q69-P73 VanDerWaalsContact O-N 3.12Å; Q69-L132 HydrophobicContact CB-CD2 4.5Å; Q69-L132 HydrophobicContact CG-CD2 4.49Å
70E88.7Confident91.7Very high120 Ų12070 Ų7056%0.56137%0.371SS*.THydrogen-bonded Turntrans-71.9-40.2177-69.3168.4-169.800111.2P68 K131P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 3.46Å; E70-K131 VanDerWaalsContact CD-NZ 3.31Å; E70-K131 WeakPolarHBondContact OE1-CE 3.37Å; E70-K131 IonicContact OE1-NZ 3.39Å; E70-K131 PolarHBondContact OE1-NZ 2.92Å; E70-K131 IonicContact OE2-NZ 3.48Å; E70-K131 PolarHBondContact OE2-NZ 3.29Å
71Q90.4Very high91.8Very high120 Ų12067.9 Ų67.956%0.56136%0.362SS*.THydrogen-bonded Turntrans-77.7-31.4179.7-62.578.59.400111.9P68 P73P68-Q71 HydrophobicContact CB-CB 4.34Å; P68-Q71 PolarHBondContact O-N 3.36Å; Q71-P73 VanDerWaalsContact C-CD 3.48Å
72Y90.3Very high91.9Very high134 Ų13469.9 Ų69.953%0.52537%0.372SS..  trans-128.965.8-179.9-55.8-83.5000111.7P68 Q69 A74 I75 F77P68-Y72 HydrophobicContact CB-CD2 4.21Å; P68-Y72 HydrophobicContact CG-CD2 4.08Å; P68-Y72 HydrophobicContact CG-CE2 4.46Å; P68-Y72 PolarHBondContact O-N 3.48Å; Q69-Y72 CarbonylContact O-C 3.47Å; Y72-A74 PolarHBondContact O-N 2.86Å; Y72-I75 HydrophobicContact CD1-CD1 4.18Å; Y72-I75 HydrophobicContact CG-CD1 4.26Å; Y72-I75 PolarHBondContact O-N 2.66Å; Y72-F77 HydrophobicContact CD2-CZ 4.16Å; Y72-F77 HydrophobicContact CG-CZ 4.27Å
73P88.9Confident91.9Very high106 Ų10668.8 Ų68.869%0.68838%0.375SS*.THydrogen-bonded Turntrans-66.3-20.1-175.827.1-35.6000113.4Q69 Q71 I75Q69-P73 WeakPolarHBondContact O-CA 3.42Å; Q69-P73 VanDerWaalsContact O-N 3.12Å; Q71-P73 VanDerWaalsContact C-CD 3.48Å; P73-I75 VanDerWaalsContact C-N 3.28Å; P73-I75 PolarHBondContact O-N 3.08Å
74A88.5Confident92Very high97 Ų9773.1 Ų73.180%0.80240%0.401SS*.THydrogen-bonded Turntrans-77.5-11175.900000113.5Y72Y72-A74 PolarHBondContact O-N 2.86Å
75I89.8Confident92Very high60 Ų6072.3 Ų72.331%0.30842%0.418SS..  trans-104.3119.2-175.4-57.4-178.1000110.5Y72 P73 F77 K80Y72-I75 HydrophobicContact CD1-CD1 4.18Å; Y72-I75 HydrophobicContact CG-CD1 4.26Å; Y72-I75 PolarHBondContact O-N 2.66Å; P73-I75 VanDerWaalsContact C-N 3.28Å; P73-I75 PolarHBondContact O-N 3.08Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 HydrophobicContact CB-CD2 4.29Å; I75-F77 HydrophobicContact CB-CE2 3.86Å; I75-F77 HydrophobicContact CB-CZ 3.99Å; I75-F77 HydrophobicContact CD1-CZ 4.29Å; I75-F77 HydrophobicContact CG2-CD1 4.02Å; I75-F77 HydrophobicContact CG2-CD2 4.12Å; I75-F77 HydrophobicContact CG2-CE1 3.86Å; I75-F77 HydrophobicContact CG2-CE2 3.97Å; I75-F77 HydrophobicContact CG2-CG 4.15Å; I75-F77 HydrophobicContact CG2-CZ 3.84Å; I75-F77 WeakPolarHBondContact O-CD2 3.47Å; I75-F77 PolarHBondContact O-N 2.9Å; I75-K80 HydrophobicContact CG2-CD 4.35Å
76N90.2Very high91.9Very high128 Ų12871.4 Ų71.468%0.68442%0.417SS*.  trans-80.376.4173.5-66.2-33.8000111.6V78 G79 K80N76-V78 PolarHBondContact O-N 3.19Å; N76-G79 PolarHBondContact O-N 3.06Å; N76-K80 PolarHBondContact O-N 2.93Å
77F92.9Very high91.9Very high12 Ų1270.7 Ų70.75%0.05341%0.414CS..Hα-helixtrans-58.5-43.9179.3-66.5-79.7000113I67 P68 Y72 I75 G79 K80 L81 M160I67-F77 HydrophobicContact CG2-CB 3.46Å; I67-F77 VanDerWaalsContact CG2-CB 3.46Å; I67-F77 HydrophobicContact CG2-CD2 3.69Å; I67-F77 HydrophobicContact CG2-CG 3.68Å; P68-F77 HydrophobicContact CG-CE2 4.28Å; P68-F77 HydrophobicContact CG-CZ 4.04Å; Y72-F77 HydrophobicContact CD2-CZ 4.16Å; Y72-F77 HydrophobicContact CG-CZ 4.27Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 HydrophobicContact CB-CD2 4.29Å; I75-F77 HydrophobicContact CB-CE2 3.86Å; I75-F77 HydrophobicContact CB-CZ 3.99Å; I75-F77 HydrophobicContact CD1-CZ 4.29Å; I75-F77 HydrophobicContact CG2-CD1 4.02Å; I75-F77 HydrophobicContact CG2-CD2 4.12Å; I75-F77 HydrophobicContact CG2-CE1 3.86Å; I75-F77 HydrophobicContact CG2-CE2 3.97Å; I75-F77 HydrophobicContact CG2-CG 4.15Å; I75-F77 HydrophobicContact CG2-CZ 3.84Å; I75-F77 WeakPolarHBondContact O-CD2 3.47Å; I75-F77 PolarHBondContact O-N 2.9Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.45Å; F77-K80 PolarHBondContact O-N 2.81Å; F77-K80 VanDerWaalsContact O-N 3.15Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 WeakPolarHBondContact O-CG 3.38Å; F77-L81 PolarHBondContact O-N 3.38Å; F77-M160 HydrophobicContact CD1-CE 4.38Å
78V93.1Very high92Very high37 Ų3772.6 Ų72.622%0.22443%0.426CS..Hα-helixtrans-58.4-44.6178.3175.10000110.7N76 L81 L82 I102 L132N76-V78 PolarHBondContact O-N 3.19Å; V78-L81 PolarHBondContact O-N 2.82Å; V78-L82 HydrophobicContact CG1-CD1 3.73Å; V78-L82 HydrophobicContact CG1-CG 4.46Å; V78-L82 WeakPolarHBondContact O-CB 3.41Å; V78-L82 WeakPolarHBondContact O-CG 3.27Å; V78-L82 PolarHBondContact O-N 2.84Å; V78-I102 HydrophobicContact CB-CD1 4.46Å; V78-I102 HydrophobicContact CG1-CD1 3.89Å; V78-I102 HydrophobicContact CG1-CG2 4.49Å; V78-I102 HydrophobicContact CG2-CG2 4.07Å; V78-L132 HydrophobicContact CG2-CD1 4.36Å; V78-L132 HydrophobicContact CG2-CD2 3.9Å
79G92.9Very high92.3Very high44 Ų4471.3 Ų71.345%0.45442%0.416SS..Hα-helixtrans-62.9-41.6176.100000112.9N76 F77 G83N76-G79 PolarHBondContact O-N 3.06Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.45Å; G79-G83 PolarHBondContact O-N 3.45Å
80K92.9Very high92.7Very high101 Ų10174.8 Ų74.844%0.43943%0.426SS..Hα-helixtrans-65.4-44.6176.2-72.8-173.1174.6-1680112.7I75 N76 F77 I159I75-K80 HydrophobicContact CG2-CD 4.35Å; N76-K80 PolarHBondContact O-N 2.93Å; F77-K80 PolarHBondContact O-N 2.81Å; F77-K80 VanDerWaalsContact O-N 3.15Å; K80-I159 HydrophobicContact CB-CG2 4.46Å
81L94.7Very high93.1Very high1 Ų171.4 Ų71.41%0.00542%0.419CS..Hα-helixtrans-64.8-43.1179.3-74.1168.9000111.7I67 F77 V78 L89 I102 L134 V156 I159 M160I67-L81 HydrophobicContact CD1-CD1 3.87Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 WeakPolarHBondContact O-CG 3.38Å; F77-L81 PolarHBondContact O-N 3.38Å; V78-L81 PolarHBondContact O-N 2.82Å; L81-L89 WeakPolarHBondContact O-CB 3.4Å; L81-L89 PolarHBondContact O-N 2.99Å; L81-L89 VanDerWaalsContact O-N 3.17Å; L81-I102 HydrophobicContact CB-CD1 4.35Å; L81-L134 HydrophobicContact CD1-CD2 4.46Å; L81-L134 HydrophobicContact CD2-CD2 4.41Å; L81-V156 HydrophobicContact CD2-CG1 4.11Å; L81-I159 HydrophobicContact CD2-CB 4.35Å; L81-I159 HydrophobicContact CD2-CG2 4Å; L81-M160 HydrophobicContact CD1-CE 4.47Å; L81-M160 HydrophobicContact CD2-CG 3.99Å
82L94.5Very high93.4Very high61 Ų6166.3 Ų66.332%0.31940%0.396SS..Hα-helixtrans-73.6-44180-70.8171.7000112.3V78 G86 Q87 T88 L89 I102V78-L82 HydrophobicContact CG1-CD1 3.73Å; V78-L82 HydrophobicContact CG1-CG 4.46Å; V78-L82 WeakPolarHBondContact O-CB 3.41Å; V78-L82 WeakPolarHBondContact O-CG 3.27Å; V78-L82 PolarHBondContact O-N 2.84Å; L82-G86 CarbonylContact O-C 3.48Å; L82-G86 WeakPolarHBondContact O-CA 3.49Å; L82-Q87 PolarHBondContact O-N 2.77Å; L82-T88 WeakPolarHBondContact O-CB 3.4Å; L82-T88 PolarHBondContact O-N 3.38Å; L82-T88 VanDerWaalsContact O-N 3.1Å; L82-L89 HydrophobicContact CD2-CB 4.24Å; L82-L89 HydrophobicContact CD2-CD2 3.81Å; L82-I102 HydrophobicContact CD1-CD1 4.25Å; L82-I102 HydrophobicContact CD2-CD1 4.07Å; L82-I102 HydrophobicContact CG-CD1 3.86Å
83G93.4Very high93.7Very high23 Ų2362 Ų6224%0.23738%0.381CS..  trans62.3-173.6-169.700000113.1G79 G85 G86G79-G83 PolarHBondContact O-N 3.45Å; G83-G85 PolarHBondContact O-N 3Å; G83-G86 PolarHBondContact O-N 2.78Å
84P95.2Very high94.1Very high111 Ų11164.5 Ų64.572%0.72138%0.383SS*.G310 helixtrans-61.3124.3-179.425.5-33.2000110.8G86 Q87P84-G86 PolarHBondContact O-N 3.34Å; P84-G86 VanDerWaalsContact O-N 3.11Å; P84-Q87 WeakPolarHBondContact O-CB 3.4Å; P84-Q87 WeakPolarHBondContact O-CG 3.2Å; P84-Q87 PolarHBondContact O-N 2.76Å; P84-Q87 VanDerWaalsContact O-N 3.11Å
85G93.4Very high94.5Very high71 Ų7164.4 Ų64.473%0.73237%0.372SS*.G310 helixtrans63.313.3-179.900000115.3G83 Q87G83-G85 PolarHBondContact O-N 3Å; G85-Q87 VanDerWaalsContact C-N 3.27Å
86G93.7Very high94.8Very high15 Ų1561.6 Ų61.616%0.15536%0.358CS..G310 helixtrans76.911.2-17400000114.1L82 G83 P84 T88 L89 R90L82-G86 CarbonylContact O-C 3.48Å; L82-G86 WeakPolarHBondContact O-CA 3.49Å; G83-G86 PolarHBondContact O-N 2.78Å; P84-G86 PolarHBondContact O-N 3.34Å; P84-G86 VanDerWaalsContact O-N 3.11Å; G86-T88 PolarHBondContact O-N 3.44Å; G86-L89 PolarHBondContact O-N 3.37Å; G86-R90 VanDerWaalsContact O-CG 3.31Å; G86-R90 WeakPolarHBondContact O-CG 3.45Å; G86-R90 PolarHBondContact O-N 3.46Å; G86-R90 VanDerWaalsContact O-N 3.11Å
87Q95.8Very high95.1Very high114 Ų11459.9 Ų59.953%0.53335%0.345SS..Hα-helixtrans-68.5-33.6-173.7-66.2-6619.900113.2L82 P84 G85 R90 A91L82-Q87 PolarHBondContact O-N 2.77Å; P84-Q87 WeakPolarHBondContact O-CB 3.4Å; P84-Q87 WeakPolarHBondContact O-CG 3.2Å; P84-Q87 PolarHBondContact O-N 2.76Å; P84-Q87 VanDerWaalsContact O-N 3.11Å; G85-Q87 VanDerWaalsContact C-N 3.27Å; Q87-R90 PolarHBondContact O-N 2.74Å; Q87-A91 VanDerWaalsContact O-CB 3.29Å; Q87-A91 WeakPolarHBondContact O-CB 3.49Å; Q87-A91 PolarHBondContact O-N 2.97Å
88T95.9Very high95.3Very high49 Ų4959.9 Ų59.930%0.30135%0.346SS..Hα-helixtrans-62-49.7177.5-56.20000110.4L82 G86 R90 A91 V92 I159L82-T88 WeakPolarHBondContact O-CB 3.4Å; L82-T88 PolarHBondContact O-N 3.38Å; L82-T88 VanDerWaalsContact O-N 3.1Å; G86-T88 PolarHBondContact O-N 3.44Å; T88-R90 VanDerWaalsContact C-N 3.31Å; T88-R90 PolarHBondContact O-N 2.95Å; T88-A91 PolarHBondContact O-N 3.12Å; T88-V92 WeakPolarHBondContact O-CG2 3.25Å; T88-V92 PolarHBondContact O-N 3.37Å; T88-I159 HydrophobicContact CG2-CD1 3.98Å
89L96.1Very high95.4Very high15 Ų1564.8 Ų64.88%0.07936%0.364CS..Hα-helixtrans-66.1-34178.6-167.472.3000112.2L81 L82 G86 Q93 M100 L134L81-L89 WeakPolarHBondContact O-CB 3.4Å; L81-L89 PolarHBondContact O-N 2.99Å; L81-L89 VanDerWaalsContact O-N 3.17Å; L82-L89 HydrophobicContact CD2-CB 4.24Å; L82-L89 HydrophobicContact CD2-CD2 3.81Å; G86-L89 PolarHBondContact O-N 3.37Å; L89-Q93 WeakPolarHBondContact O-CB 3.3Å; L89-Q93 VanDerWaalsContact O-CG 3.28Å; L89-Q93 WeakPolarHBondContact O-CG 3.5Å; L89-Q93 PolarHBondContact O-N 3.21Å; L89-Q93 PolarHBondContact O-NE2 3.33Å; L89-Q93 VanDerWaalsContact O-NE2 3.12Å; L89-M100 HydrophobicContact CD1-CB 4.01Å; L89-M100 HydrophobicContact CD1-SD 3.86Å; L89-M100 HydrophobicContact CD2-CB 4.43Å; L89-M100 HydrophobicContact CG-CB 4.29Å; L89-L134 HydrophobicContact CD1-CD1 4.22Å
90R96.2Very high95.6Very high152 Ų15263.1 Ų63.157%0.57435%0.345SS*.Hα-helixtrans-68.3-44.8176.2-74.1175.1-178.7-174.61.1111.8G86 Q87 T88 V92 Q93 E94G86-R90 VanDerWaalsContact O-CG 3.31Å; G86-R90 WeakPolarHBondContact O-CG 3.45Å; G86-R90 PolarHBondContact O-N 3.46Å; G86-R90 VanDerWaalsContact O-N 3.11Å; Q87-R90 PolarHBondContact O-N 2.74Å; T88-R90 VanDerWaalsContact C-N 3.31Å; T88-R90 PolarHBondContact O-N 2.95Å; R90-V92 VanDerWaalsContact C-N 3.32Å; R90-V92 PolarHBondContact O-N 2.91Å; R90-Q93 WeakPolarHBondContact O-CB 3.44Å; R90-Q93 PolarHBondContact O-N 3.28Å; R90-E94 WeakPolarHBondContact O-CB 3.3Å; R90-E94 PolarHBondContact O-N 3.3Å
91A96.9Very high95.7Very high49 Ų4959.9 Ų59.941%0.40534%0.337SS..Hα-helixtrans-59.3-44.3176.400000111.2Q87 T88 Q93 E94 T95Q87-A91 VanDerWaalsContact O-CB 3.29Å; Q87-A91 WeakPolarHBondContact O-CB 3.49Å; Q87-A91 PolarHBondContact O-N 2.97Å; T88-A91 PolarHBondContact O-N 3.12Å; A91-Q93 PolarHBondContact O-N 2.95Å; A91-E94 PolarHBondContact O-N 3.43Å; A91-T95 WeakPolarHBondContact O-CB 3.2Å; A91-T95 PolarHBondContact O-N 3.21Å; A91-T95 PolarHBondContact O-OG1 3.07Å
92V96.6Very high95.7Very high13 Ų1361.1 Ų61.18%0.07934%0.343CS..Hα-helixtrans-63.5-42.5175.9179.30000111.4T88 R90 E94 T96 M100 E155 V156 I159T88-V92 WeakPolarHBondContact O-CG2 3.25Å; T88-V92 PolarHBondContact O-N 3.37Å; R90-V92 VanDerWaalsContact C-N 3.32Å; R90-V92 PolarHBondContact O-N 2.91Å; V92-E94 PolarHBondContact O-N 3.37Å; V92-T96 HydrophobicContact CG1-CG2 4.03Å; V92-T96 VanDerWaalsContact O-CB 3.27Å; V92-T96 WeakPolarHBondContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CG2 3.46Å; V92-T96 PolarHBondContact O-N 3.44Å; V92-T96 PolarHBondContact O-OG1 3.27Å; V92-M100 HydrophobicContact CG1-CE 3.52Å; V92-M100 HydrophobicContact CG1-SD 4.05Å; V92-E155 HydrophobicContact CG1-CB 3.94Å; V92-V156 HydrophobicContact CG1-CG2 4.48Å; V92-I159 HydrophobicContact CG2-CD1 3.68Å
93Q96.9Very high95.7Very high43 Ų4359.6 Ų59.620%0.20134%0.335CS..Hα-helixtrans-61-42.7176.5-79.4176.298.300112.7L89 R90 A91 K97 T98 M100L89-Q93 WeakPolarHBondContact O-CB 3.3Å; L89-Q93 VanDerWaalsContact O-CG 3.28Å; L89-Q93 WeakPolarHBondContact O-CG 3.5Å; L89-Q93 PolarHBondContact O-N 3.21Å; L89-Q93 PolarHBondContact O-NE2 3.33Å; L89-Q93 VanDerWaalsContact O-NE2 3.12Å; R90-Q93 WeakPolarHBondContact O-CB 3.44Å; R90-Q93 PolarHBondContact O-N 3.28Å; A91-Q93 PolarHBondContact O-N 2.95Å; Q93-K97 VanDerWaalsContact O-CA 3.29Å; Q93-K97 WeakPolarHBondContact O-CA 3.48Å; Q93-K97 PolarHBondContact O-N 2.73Å; Q93-T98 WeakPolarHBondContact CA-O 3.35Å; Q93-T98 VanDerWaalsContact CB-O 3.24Å; Q93-T98 WeakPolarHBondContact CB-O 3.39Å; Q93-T98 VanDerWaalsContact CG-O 3.31Å; Q93-T98 WeakPolarHBondContact CG-O 3.5Å; Q93-T98 PolarHBondContact O-N 3.16Å; Q93-T98 VanDerWaalsContact O-N 3.1Å; Q93-M100 HydrophobicContact CG-CB 3.72Å; Q93-M100 HydrophobicContact CG-CG 3.67Å; Q93-M100 HydrophobicContact CG-SD 4.2Å; Q93-M100 PolarHBondContact OE1-O 3.46Å
94E97.1Very high95.7Very high159 Ų15958.5 Ų58.574%0.74332%0.324SS*.Hα-helixtrans-66.4-51.2178.8-173172-172.200111.3R90 A91 V92 T96 K97R90-E94 WeakPolarHBondContact O-CB 3.3Å; R90-E94 PolarHBondContact O-N 3.3Å; A91-E94 PolarHBondContact O-N 3.43Å; V92-E94 PolarHBondContact O-N 3.37Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 PolarHBondContact O-N 3.39Å; E94-K97 PolarHBondContact O-N 3.2Å
95T96.4Very high95.5Very high94 Ų9455 Ų5558%0.57730%0.304SS*.Hα-helixtrans-62.1-40179.5-59.90000112.5A91A91-T95 WeakPolarHBondContact O-CB 3.2Å; A91-T95 PolarHBondContact O-N 3.21Å; A91-T95 PolarHBondContact O-OG1 3.07Å
96T96.2Very high95.3Very high2 Ų252.9 Ų52.91%0.01228%0.283CS..Hα-helixtrans-89.3-8.3-176.964.90000112.8V92 E94 T98 R148 A152 E155V92-T96 HydrophobicContact CG1-CG2 4.03Å; V92-T96 VanDerWaalsContact O-CB 3.27Å; V92-T96 WeakPolarHBondContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CG2 3.46Å; V92-T96 PolarHBondContact O-N 3.44Å; V92-T96 PolarHBondContact O-OG1 3.27Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 PolarHBondContact O-N 3.39Å; T96-T98 PolarHBondContact O-N 3.49Å; T96-T98 PolarHBondContact OG1-OG1 2.91Å; T96-R148 WeakPolarHBondContact O-CB 3.29Å; T96-R148 WeakPolarHBondContact O-CG 3.35Å; T96-A152 HydrophobicContact CG2-CB 3.98Å; T96-E155 HydrophobicContact CG2-CB 4.49Å; T96-E155 HydrophobicContact CG2-CG 4.19Å
97K96.5Very high95.2Very high92 Ų9253.6 Ų53.640%0.429%0.285SS..THydrogen-bonded Turntrans52.542.2-173.5-56.8177.6-174.1174.70111.8Q93 E94 R148 G278Q93-K97 VanDerWaalsContact O-CA 3.29Å; Q93-K97 WeakPolarHBondContact O-CA 3.48Å; Q93-K97 PolarHBondContact O-N 2.73Å; E94-K97 PolarHBondContact O-N 3.2Å; K97-R148 HydrophobicContact CB-CG 4.43Å; K97-G278 VanDerWaalsContact NZ-C 3.32Å; K97-G278 PolarHBondContact NZ-O 2.94Å
98T96.9Very high94.9Very high12 Ų1250.7 Ų50.77%0.07427%0.273CS..  trans-122161177.264.80000111.1Q93 T96 M100 V136 R148 A152Q93-T98 WeakPolarHBondContact CA-O 3.35Å; Q93-T98 VanDerWaalsContact CB-O 3.24Å; Q93-T98 WeakPolarHBondContact CB-O 3.39Å; Q93-T98 VanDerWaalsContact CG-O 3.31Å; Q93-T98 WeakPolarHBondContact CG-O 3.5Å; Q93-T98 PolarHBondContact O-N 3.16Å; Q93-T98 VanDerWaalsContact O-N 3.1Å; T96-T98 PolarHBondContact O-N 3.49Å; T96-T98 PolarHBondContact OG1-OG1 2.91Å; T98-M100 WeakPolarHBondContact OG1-CE 3.48Å; T98-V136 HydrophobicContact CG2-CG1 4.23Å; T98-R148 HydrophobicContact CG2-CB 4Å; T98-A152 HydrophobicContact CG2-CB 3.85Å
99K95.9Very high94.5Very high139 Ų13960.5 Ų60.560%0.60431%0.305SS*.EExtended strand (participates in β ladder)trans-103.8127.5171.9-178.2175.9-177.3175.80109.2D137K99-D137 HydrophobicContact CB-CB 4.28Å; K99-D137 PolarHBondContact N-O 2.64Å; K99-D137 PolarHBondContact O-N 3.28Å
100M96.9Very high94.2Very high10 Ų1062.9 Ų62.95%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-120.5138.9-178.9-60.9-174.1-172.800111L89 V92 Q93 T98 L134 Q135 V136 A152 V156L89-M100 HydrophobicContact CD1-CB 4.01Å; L89-M100 HydrophobicContact CD1-SD 3.86Å; L89-M100 HydrophobicContact CD2-CB 4.43Å; L89-M100 HydrophobicContact CG-CB 4.29Å; V92-M100 HydrophobicContact CG1-CE 3.52Å; V92-M100 HydrophobicContact CG1-SD 4.05Å; Q93-M100 HydrophobicContact CG-CB 3.72Å; Q93-M100 HydrophobicContact CG-CG 3.67Å; Q93-M100 HydrophobicContact CG-SD 4.2Å; Q93-M100 PolarHBondContact OE1-O 3.46Å; T98-M100 WeakPolarHBondContact OG1-CE 3.48Å; M100-L134 HydrophobicContact CB-CD1 4.26Å; M100-L134 HydrophobicContact SD-CD2 4.38Å; M100-Q135 CarbonylContact C-O 3.54Å; M100-Q135 VanDerWaalsContact CA-O 3.25Å; M100-Q135 WeakPolarHBondContact CA-O 3.46Å; M100-V136 HydrophobicContact CE-CG1 4.09Å; M100-V136 HydrophobicContact CE-CG2 4.4Å; M100-V136 HydrophobicContact CG-CG1 4.21Å; M100-V136 HydrophobicContact CG-CG2 4.15Å; M100-V136 HydrophobicContact SD-CG2 4.44Å; M100-A152 HydrophobicContact CE-CB 3.52Å; M100-V156 HydrophobicContact CE-CG2 4.01Å; M100-V156 HydrophobicContact SD-CG2 3.96Å
101A94.8Very high93.9Very high33 Ų3360.6 Ų60.627%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-140.8133.4175.700000110.6L103 Q135A101-L103 HydrophobicContact CB-CD1 4.47Å; A101-L103 HydrophobicContact CB-CD2 4.32Å; A101-L103 HydrophobicContact CB-CG 4.17Å; A101-Q135 PolarHBondContact N-O 3.04Å; A101-Q135 PolarHBondContact O-N 3.27Å
102I95.6Very high93.6Very high27 Ų2761.5 Ų61.514%0.13832%0.324CS..EExtended strand (participates in β ladder)trans-86.8121.2171.7-59.4175.5000107.3V78 L81 L82 L132 L134V78-I102 HydrophobicContact CB-CD1 4.46Å; V78-I102 HydrophobicContact CG1-CD1 3.89Å; V78-I102 HydrophobicContact CG1-CG2 4.49Å; V78-I102 HydrophobicContact CG2-CG2 4.07Å; L81-I102 HydrophobicContact CB-CD1 4.35Å; L82-I102 HydrophobicContact CD1-CD1 4.25Å; L82-I102 HydrophobicContact CD2-CD1 4.07Å; L82-I102 HydrophobicContact CG-CD1 3.86Å; I102-L132 HydrophobicContact CG2-CD1 4.02Å; I102-L134 HydrophobicContact CG1-CD1 3.63Å
103L94.2Very high93.3Very high29 Ų2966.6 Ų66.615%0.15235%0.345CS..EExtended strand (participates in β ladder)trans-134.9175.3-173.6-59.3176.8000109.8A101 H127 H133 Q135A101-L103 HydrophobicContact CB-CD1 4.47Å; A101-L103 HydrophobicContact CB-CD2 4.32Å; A101-L103 HydrophobicContact CB-CG 4.17Å; L103-H127 HydrophobicContact CB-CB 4.15Å; L103-H133 PolarHBondContact N-O 3.43Å; L103-H133 PolarHBondContact O-N 3.11Å; L103-H133 VanDerWaalsContact O-O 3.08Å; L103-Q135 HydrophobicContact CD1-CB 4.04Å
104G92.9Very high93Very high0 Ų065.1 Ų65.10%034%0.338CS..SBendtrans89.9179.9-175.300000114.7S107 H127 L128 Q130G104-S107 WeakPolarHBondContact O-CB 3.27Å; G104-S107 PolarHBondContact O-N 2.67Å; G104-S107 PolarHBondContact O-OG 3.11Å; G104-H127 VanDerWaalsContact CA-O 3.26Å; G104-H127 WeakPolarHBondContact CA-O 3.47Å; G104-H127 PolarHBondContact N-ND1 3.12Å; G104-L128 WeakPolarHBondContact O-CD2 3.26Å; G104-Q130 CarbonylContact C-O 3.03Å; G104-Q130 WeakPolarHBondContact CA-O 3.3Å
105A91.8Very high92.7Very high36 Ų3665 Ų6530%0.29834%0.335SS..THydrogen-bonded Turntrans-66.8129.2179.800000111.9E114 Q130 L132A105-E114 VanDerWaalsContact CA-OE1 3.24Å; A105-E114 WeakPolarHBondContact CA-OE1 3.45Å; A105-Q130 PolarHBondContact N-O 2.86Å; A105-L132 WeakPolarHBondContact O-CB 3.39Å
106G89.3Confident92.5Very high28 Ų2866.2 Ų66.229%0.28933%0.334SS..THydrogen-bonded Turntrans84.39.1-17300000114L108 E114G106-L108 VanDerWaalsContact C-N 3.34Å; G106-E114 PolarHBondContact N-OE2 3.19Å
107S90.2Very high92.2Very high30 Ų3067.9 Ų67.921%0.2134%0.343CS..  trans-75.2-25.2171.161.20000112.4G104 L128G104-S107 WeakPolarHBondContact O-CB 3.27Å; G104-S107 PolarHBondContact O-N 2.67Å; G104-S107 PolarHBondContact O-OG 3.11Å; S107-L128 WeakPolarHBondContact OG-CD2 3.36Å
108L90.3Very high91.8Very high53 Ų5365.8 Ų65.828%0.27734%0.336SS..SBendtrans-88.9152.9167.8-75.497.7000110.3G106 D110 E114 L117 L128G106-L108 VanDerWaalsContact C-N 3.34Å; L108-D110 PolarHBondContact O-N 3.01Å; L108-E114 HydrophobicContact CD1-CG 4.24Å; L108-L117 HydrophobicContact CD2-CD1 3.9Å; L108-L128 HydrophobicContact CD1-CD1 4.09Å; L108-L128 HydrophobicContact CD1-CD2 3.41Å; L108-L128 VanDerWaalsContact CD1-CD2 3.41Å; L108-L128 HydrophobicContact CD1-CG 4.35Å
109R86.6Confident91.3Very high255 Ų25569.7 Ų69.796%0.96236%0.364SS*.SBendtrans-66.6-22.4178.4-178173.4175.1175.60.1113.5
110D91Very high90.9Very high64 Ų6467.5 Ų67.534%0.34236%0.358SS..  trans-130.8105.9-168.6-175.8-10.6000110.3L108 A112 K113 E114L108-D110 PolarHBondContact O-N 3.01Å; D110-A112 PolarHBondContact O-N 3.41Å; D110-A112 WeakPolarHBondContact OD1-CB 3.24Å; D110-A112 PolarHBondContact OD1-N 3.24Å; D110-K113 HydrophobicContact CB-CB 4.18Å; D110-K113 HydrophobicContact CB-CD 4.05Å; D110-K113 HydrophobicContact CB-CG 4.21Å; D110-K113 PolarHBondContact O-N 3.45Å; D110-K113 VanDerWaalsContact OD2-CD 3.31Å; D110-K113 WeakPolarHBondContact OD2-CD 3.26Å; D110-K113 WeakPolarHBondContact OD2-CE 3.18Å; D110-K113 WeakPolarHBondContact OD2-CG 3.33Å; D110-K113 IonicContact OD2-NZ 3.75Å; D110-E114 PolarHBondContact O-N 2.95Å
111D88.4Confident90.1Very high104 Ų10469.5 Ų69.556%0.55638%0.382SS*.Hα-helixtrans-61.6-30.4-178.8-65.4-0.5000112.7E114 K115D111-E114 WeakPolarHBondContact O-CB 3.12Å; D111-E114 PolarHBondContact O-N 3.06Å; D111-K115 WeakPolarHBondContact O-CG 3.36Å; D111-K115 PolarHBondContact O-N 3.13Å; D111-K115 VanDerWaalsContact O-N 3.08Å
112A90.9Very high89.7Confident69 Ų6971.5 Ų71.557%0.5739%0.388SS*.Hα-helixtrans-69.3-42.5178.800000110.6D110 E114 K115 Q116D110-A112 PolarHBondContact O-N 3.41Å; D110-A112 WeakPolarHBondContact OD1-CB 3.24Å; D110-A112 PolarHBondContact OD1-N 3.24Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-K115 PolarHBondContact O-N 3.26Å; A112-Q116 PolarHBondContact O-N 3.34Å
113K91.3Very high89.1Confident120 Ų12075 Ų7552%0.52241%0.412SS..Hα-helixtrans-65.8-37.3172.8-70.4178.9-172.8170.30111.5D110 K115 Q116 L117D110-K113 HydrophobicContact CB-CB 4.18Å; D110-K113 HydrophobicContact CB-CD 4.05Å; D110-K113 HydrophobicContact CB-CG 4.21Å; D110-K113 PolarHBondContact O-N 3.45Å; D110-K113 VanDerWaalsContact OD2-CD 3.31Å; D110-K113 WeakPolarHBondContact OD2-CD 3.26Å; D110-K113 WeakPolarHBondContact OD2-CE 3.18Å; D110-K113 WeakPolarHBondContact OD2-CG 3.33Å; D110-K113 IonicContact OD2-NZ 3.75Å; K113-K115 PolarHBondContact O-N 3.09Å; K113-Q116 PolarHBondContact O-N 2.99Å; K113-L117 WeakPolarHBondContact O-CB 3.24Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.15Å; K113-L117 PolarHBondContact O-N 3.27Å
114E90.8Very high88.6Confident12 Ų1280.9 Ų80.96%0.05644%0.437CS..Hα-helixtrans-56.8-49.9176.5-163.8-178122.300111.7A105 G106 L108 D110 D111 A112 Q116 L117 L118 L128A105-E114 VanDerWaalsContact CA-OE1 3.24Å; A105-E114 WeakPolarHBondContact CA-OE1 3.45Å; G106-E114 PolarHBondContact N-OE2 3.19Å; L108-E114 HydrophobicContact CD1-CG 4.24Å; D110-E114 PolarHBondContact O-N 2.95Å; D111-E114 WeakPolarHBondContact O-CB 3.12Å; D111-E114 PolarHBondContact O-N 3.06Å; A112-E114 VanDerWaalsContact C-N 3.31Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 2.89Å; E114-L117 PolarHBondContact O-N 2.83Å; E114-L118 PolarHBondContact O-N 2.83Å; E114-L128 HydrophobicContact CG-CB 4.04Å; E114-L128 HydrophobicContact CG-CD1 3.55Å; E114-L128 HydrophobicContact CG-CD2 3.7Å; E114-L128 HydrophobicContact CG-CG 3.93Å
115K89.8Confident88.5Confident155 Ų15583.1 Ų83.167%0.67445%0.446SS*.Hα-helixtrans-62-39.1177.5-71.5176.9-177.9176.10112.5D111 A112 K113 L118 S119D111-K115 WeakPolarHBondContact O-CG 3.36Å; D111-K115 PolarHBondContact O-N 3.13Å; D111-K115 VanDerWaalsContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 3.26Å; K113-K115 PolarHBondContact O-N 3.09Å; K115-L118 PolarHBondContact O-N 3.36Å; K115-S119 PolarHBondContact O-N 3.06Å
116Q91.5Very high88.2Confident121 Ų12186.1 Ų86.157%0.56545%0.453SS*.Hα-helixtrans-64-46.4176.2-170.9179.98.400111.6A112 K113 E114 L118 S119 N120A112-Q116 PolarHBondContact O-N 3.34Å; K113-Q116 PolarHBondContact O-N 2.99Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 2.89Å; Q116-L118 VanDerWaalsContact C-N 3.3Å; Q116-L118 PolarHBondContact O-N 2.76Å; Q116-S119 PolarHBondContact O-N 2.82Å; Q116-S119 VanDerWaalsContact O-N 3.11Å; Q116-S119 PolarHBondContact O-OG 2.82Å; Q116-N120 PolarHBondContact O-N 2.97Å; Q116-N120 VanDerWaalsContact O-N 3.11Å; Q116-N120 PolarHBondContact O-OD1 2.89Å
117L90.3Very high88.3Confident37 Ų3786.7 Ų86.719%0.19445%0.448CS..Hα-helixtrans-66.2-33.1179-68172.8000112.6L108 K113 E114 Y125L108-L117 HydrophobicContact CD2-CD1 3.9Å; K113-L117 WeakPolarHBondContact O-CB 3.24Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.15Å; K113-L117 PolarHBondContact O-N 3.27Å; E114-L117 PolarHBondContact O-N 2.83Å; L117-Y125 HydrophobicContact CB-CD1 4.24Å; L117-Y125 HydrophobicContact CB-CD2 3.8Å; L117-Y125 HydrophobicContact CB-CE2 4.2Å; L117-Y125 HydrophobicContact CB-CG 3.88Å; L117-Y125 HydrophobicContact CD1-CD1 4.18Å; L117-Y125 HydrophobicContact CD1-CE1 3.79Å; L117-Y125 HydrophobicContact CD1-CE2 4.31Å; L117-Y125 HydrophobicContact CD2-CD2 4.15Å; L117-Y125 HydrophobicContact CD2-CE2 3.71Å; L117-Y125 HydrophobicContact CG-CD2 4.39Å; L117-Y125 HydrophobicContact CG-CE2 4.29Å
118L87.8Confident88.4Confident48 Ų4885.4 Ų85.425%0.25144%0.439SS..Hα-helixtrans-64.1-41.9169.8-87.2174.3000112.5E114 K115 Q116 N120 G121 Y125 L128 K129E114-L118 PolarHBondContact O-N 2.83Å; K115-L118 PolarHBondContact O-N 3.36Å; Q116-L118 VanDerWaalsContact C-N 3.3Å; Q116-L118 PolarHBondContact O-N 2.76Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.34Å; L118-G121 PolarHBondContact O-N 2.84Å; L118-Y125 WeakPolarHBondContact CD2-O 3.27Å; L118-L128 HydrophobicContact CD1-CB 3.67Å; L118-L128 HydrophobicContact CD2-CB 3.71Å; L118-L128 HydrophobicContact CD2-CD1 4.39Å; L118-L128 HydrophobicContact CG-CB 3.64Å; L118-L128 HydrophobicContact CG-CD1 3.92Å; L118-L128 HydrophobicContact CG-CG 4.41Å; L118-K129 HydrophobicContact CD2-CG 3.77Å
119S87.9Confident88.3Confident93 Ų9391.2 Ų91.265%0.6546%0.462SS*.Hα-helixtrans-68.2-27179.868.30000113.6K115 Q116 G121K115-S119 PolarHBondContact O-N 3.06Å; Q116-S119 PolarHBondContact O-N 2.82Å; Q116-S119 VanDerWaalsContact O-N 3.11Å; Q116-S119 PolarHBondContact O-OG 2.82Å; S119-G121 PolarHBondContact O-N 3.13Å
120N86.4Confident88.4Confident93 Ų9381.7 Ų81.750%0.49743%0.429SS..THydrogen-bonded Turntrans-65.6-20.7175.3-67.5-8.5000112.9Q116 L118 D122Q116-N120 PolarHBondContact O-N 2.97Å; Q116-N120 VanDerWaalsContact O-N 3.11Å; Q116-N120 PolarHBondContact O-OD1 2.89Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.34Å; N120-D122 VanDerWaalsContact C-N 3.34Å; N120-D122 PolarHBondContact O-N 2.85Å
121G81.2Confident88.5Confident52 Ų5283.8 Ų83.854%0.53644%0.435SS..THydrogen-bonded Turntrans80.46.7176.100000115.4L118 S119L118-G121 PolarHBondContact O-N 2.84Å; S119-G121 PolarHBondContact O-N 3.13Å
122D86Confident88.8Confident75 Ų7579 Ų7940%0.40141%0.409SS..  trans-63.7132.2-178.1-68-41.8000111.8N120 K124 Y125N120-D122 VanDerWaalsContact C-N 3.34Å; N120-D122 PolarHBondContact O-N 2.85Å; D122-K124 PolarHBondContact O-N 3.07Å; D122-Y125 HydrophobicContact CB-CD2 3.81Å; D122-Y125 HydrophobicContact CB-CE2 4.35Å; D122-Y125 PolarHBondContact O-N 3.36Å
123P82.1Confident89Confident101 Ų10175.8 Ų75.866%0.65638%0.382SS*.G310 helixtrans-55.4-28.6176.7-2835.5000114.1Y125 Q126P123-Y125 PolarHBondContact O-N 2.74Å; P123-Q126 PolarHBondContact O-N 2.84Å
124K85.1Confident89.3Confident152 Ų15270.1 Ų70.166%0.66136%0.358SS*.G310 helixtrans-60.1-28.7177.8-173.9179.3176.4-172.80112.9D122 H127D122-K124 PolarHBondContact O-N 3.07Å; K124-H127 PolarHBondContact O-CD2 2.87Å; K124-H127 PolarHBondContact O-NE2 2.86Å
125Y89Confident89.5Confident48 Ų4870.3 Ų70.319%0.18836%0.359CS..G310 helixtrans-108.93.7-173-63.1-57.1000113.1L117 L118 D122 P123 H127 L128L117-Y125 HydrophobicContact CB-CD1 4.24Å; L117-Y125 HydrophobicContact CB-CD2 3.8Å; L117-Y125 HydrophobicContact CB-CE2 4.2Å; L117-Y125 HydrophobicContact CB-CG 3.88Å; L117-Y125 HydrophobicContact CD1-CD1 4.18Å; L117-Y125 HydrophobicContact CD1-CE1 3.79Å; L117-Y125 HydrophobicContact CD1-CE2 4.31Å; L117-Y125 HydrophobicContact CD2-CD2 4.15Å; L117-Y125 HydrophobicContact CD2-CE2 3.71Å; L117-Y125 HydrophobicContact CG-CD2 4.39Å; L117-Y125 HydrophobicContact CG-CE2 4.29Å; L118-Y125 WeakPolarHBondContact CD2-O 3.27Å; D122-Y125 HydrophobicContact CB-CD2 3.81Å; D122-Y125 HydrophobicContact CB-CE2 4.35Å; D122-Y125 PolarHBondContact O-N 3.36Å; P123-Y125 PolarHBondContact O-N 2.74Å; Y125-H127 PolarHBondContact O-N 3.28Å; Y125-H127 VanDerWaalsContact O-N 3.13Å; Y125-L128 HydrophobicContact CD1-CD1 4.05Å; Y125-L128 HydrophobicContact CG-CD1 4.25Å; Y125-L128 WeakPolarHBondContact O-CB 3.38Å; Y125-L128 VanDerWaalsContact O-CG 3.27Å; Y125-L128 WeakPolarHBondContact O-CG 3.3Å; Y125-L128 PolarHBondContact O-N 2.98Å
126Q87.4Confident89.8Confident99 Ų9963 Ų6346%0.46333%0.327SS..G310 helixtrans-58.4-28.9178.9-75.6-179.97.100113.4P123 L128 K129P123-Q126 PolarHBondContact O-N 2.84Å; Q126-L128 PolarHBondContact O-N 3.42Å; Q126-K129 PolarHBondContact O-N 3.47Å
127H89.9Confident90Very high39 Ų3958.2 Ų58.218%0.18131%0.305CS..G310 helixtrans-62.1-22.6178.465.780.2000113.4L103 G104 K124 Y125 K129 Q130L103-H127 HydrophobicContact CB-CB 4.15Å; G104-H127 VanDerWaalsContact CA-O 3.26Å; G104-H127 WeakPolarHBondContact CA-O 3.47Å; G104-H127 PolarHBondContact N-ND1 3.12Å; K124-H127 PolarHBondContact O-CD2 2.87Å; K124-H127 PolarHBondContact O-NE2 2.86Å; Y125-H127 PolarHBondContact O-N 3.28Å; Y125-H127 VanDerWaalsContact O-N 3.13Å; H127-K129 PolarHBondContact O-N 3.47Å; H127-Q130 WeakPolarHBondContact O-CB 3.26Å; H127-Q130 PolarHBondContact O-N 2.94Å
128L92Very high90.3Very high4 Ų456.5 Ų56.52%0.02130%0.296CS..G310 helixtrans-67.3-17.1-178.5-56.4168.3000112.5G104 S107 L108 E114 L118 Y125 Q126 Q130G104-L128 WeakPolarHBondContact O-CD2 3.26Å; S107-L128 WeakPolarHBondContact OG-CD2 3.36Å; L108-L128 HydrophobicContact CD1-CD1 4.09Å; L108-L128 HydrophobicContact CD1-CD2 3.41Å; L108-L128 VanDerWaalsContact CD1-CD2 3.41Å; L108-L128 HydrophobicContact CD1-CG 4.35Å; E114-L128 HydrophobicContact CG-CB 4.04Å; E114-L128 HydrophobicContact CG-CD1 3.55Å; E114-L128 HydrophobicContact CG-CD2 3.7Å; E114-L128 HydrophobicContact CG-CG 3.93Å; L118-L128 HydrophobicContact CD1-CB 3.67Å; L118-L128 HydrophobicContact CD2-CB 3.71Å; L118-L128 HydrophobicContact CD2-CD1 4.39Å; L118-L128 HydrophobicContact CG-CB 3.64Å; L118-L128 HydrophobicContact CG-CD1 3.92Å; L118-L128 HydrophobicContact CG-CG 4.41Å; Y125-L128 HydrophobicContact CD1-CD1 4.05Å; Y125-L128 HydrophobicContact CG-CD1 4.25Å; Y125-L128 WeakPolarHBondContact O-CB 3.38Å; Y125-L128 VanDerWaalsContact O-CG 3.27Å; Y125-L128 WeakPolarHBondContact O-CG 3.3Å; Y125-L128 PolarHBondContact O-N 2.98Å; Q126-L128 PolarHBondContact O-N 3.42Å; L128-Q130 PolarHBondContact O-N 3.34Å
129K88.6Confident90.5Very high175 Ų17558 Ų5876%0.76130%0.304SS*.G310 helixtrans-69.7-16.5170.4-61.7-175.5179.2-178.60113.2L118 Q126 H127L118-K129 HydrophobicContact CD2-CG 3.77Å; Q126-K129 PolarHBondContact O-N 3.47Å; H127-K129 PolarHBondContact O-N 3.47Å
130Q89.7Confident90.7Very high55 Ų5554 Ų5426%0.25728%0.277SS..SBendtrans-93.6157.8-176.8-56.6-176.1-19.200111.2G104 A105 H127 L128 H133G104-Q130 CarbonylContact C-O 3.03Å; G104-Q130 WeakPolarHBondContact CA-O 3.3Å; A105-Q130 PolarHBondContact N-O 2.86Å; H127-Q130 WeakPolarHBondContact O-CB 3.26Å; H127-Q130 PolarHBondContact O-N 2.94Å; L128-Q130 PolarHBondContact O-N 3.34Å; Q130-H133 PolarHBondContact OE1-CE1 3.09Å
131K92.6Very high91.1Very high107 Ų10751 Ų5147%0.46526%0.263SS..PPolyproline II helixtrans-59.5150.6171.6-54.4-165.283.2173.70110.9E70 H133E70-K131 VanDerWaalsContact CD-NZ 3.31Å; E70-K131 WeakPolarHBondContact OE1-CE 3.37Å; E70-K131 IonicContact OE1-NZ 3.39Å; E70-K131 PolarHBondContact OE1-NZ 2.92Å; E70-K131 IonicContact OE2-NZ 3.48Å; E70-K131 PolarHBondContact OE2-NZ 3.29Å; K131-H133 PolarHBondContact O-N 3.23Å; K131-H133 PolarHBondContact O-ND1 3.39Å
132L95.1Very high91.6Very high5 Ų548.8 Ų48.83%0.02624%0.239CC..SBendtrans-53125.8177.4-172.866.8000110.8I67 Q69 V78 I102 A105I67-L132 HydrophobicContact CB-CB 4.44Å; I67-L132 HydrophobicContact CB-CD2 3.96Å; I67-L132 HydrophobicContact CB-CG 4Å; I67-L132 HydrophobicContact CD1-CD2 4.28Å; I67-L132 HydrophobicContact CD1-CG 4.12Å; I67-L132 HydrophobicContact CG1-CG 4.44Å; I67-L132 HydrophobicContact CG2-CD2 3.84Å; I67-L132 HydrophobicContact CG2-CG 4.43Å; I67-L132 PolarHBondContact N-O 3.19Å; Q69-L132 HydrophobicContact CB-CD2 4.5Å; Q69-L132 HydrophobicContact CG-CD2 4.49Å; V78-L132 HydrophobicContact CG2-CD1 4.36Å; V78-L132 HydrophobicContact CG2-CD2 3.9Å; I102-L132 HydrophobicContact CG2-CD1 4.02Å; A105-L132 WeakPolarHBondContact O-CB 3.39Å
133H95.5Very high92Very high1 Ų149.4 Ų49.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-151.1154.1-178.262.7-83.1000112.4K64 I65 L103 Q130 K131K64-H133 HydrophobicContact CD-CB 4.34Å; K64-H133 WeakPolarHBondContact CE-ND1 3.24Å; K64-H133 HydrophobicContact CG-CB 3.86Å; I65-H133 CarbonylContact O-C 3.57Å; I65-H133 WeakPolarHBondContact O-CA 3.49Å; I65-H133 VanDerWaalsContact O-CB 3.24Å; I65-H133 WeakPolarHBondContact O-CB 3.18Å; L103-H133 PolarHBondContact N-O 3.43Å; L103-H133 PolarHBondContact O-N 3.11Å; L103-H133 VanDerWaalsContact O-O 3.08Å; Q130-H133 PolarHBondContact OE1-CE1 3.09Å; K131-H133 PolarHBondContact O-N 3.23Å; K131-H133 PolarHBondContact O-ND1 3.39Å
134L96.4Very high92.6Very high0 Ų046.4 Ų46.40%023%0.227CC..EExtended strand (participates in β ladder)trans-94.5121.2165.6-175.370.5000108.9I65 I67 L81 L89 M100 I102 V136 V156I65-L134 HydrophobicContact CB-CB 4.31Å; I65-L134 HydrophobicContact CD1-CD2 4.26Å; I65-L134 PolarHBondContact N-O 3.26Å; I65-L134 PolarHBondContact O-N 3.24Å; I67-L134 HydrophobicContact CD1-CB 4.48Å; L81-L134 HydrophobicContact CD1-CD2 4.46Å; L81-L134 HydrophobicContact CD2-CD2 4.41Å; L89-L134 HydrophobicContact CD1-CD1 4.22Å; M100-L134 HydrophobicContact CB-CD1 4.26Å; M100-L134 HydrophobicContact SD-CD2 4.38Å; I102-L134 HydrophobicContact CG1-CD1 3.63Å; L134-V136 HydrophobicContact CD2-CG2 4.34Å; L134-V136 HydrophobicContact CG-CG2 4.37Å; L134-V156 HydrophobicContact CD2-CB 4.45Å; L134-V156 HydrophobicContact CD2-CG1 3.74Å; L134-V156 HydrophobicContact CD2-CG2 3.81Å
135Q95.2Very high93Very high17 Ų1739.2 Ų39.28%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-92.5128.4170.6-174.2-179.9-71.200109.4R62 A63 M100 A101 L103 D137R62-Q135 HydrophobicContact CG-CG 3.81Å; R62-Q135 VanDerWaalsContact CZ-NE2 3.26Å; A63-Q135 WeakPolarHBondContact O-CA 3.1Å; M100-Q135 CarbonylContact C-O 3.54Å; M100-Q135 VanDerWaalsContact CA-O 3.25Å; M100-Q135 WeakPolarHBondContact CA-O 3.46Å; A101-Q135 PolarHBondContact N-O 3.04Å; A101-Q135 PolarHBondContact O-N 3.27Å; L103-Q135 HydrophobicContact CD1-CB 4.04Å; Q135-D137 PolarHBondContact NE2-OD2 3.46Å
136V97.1Very high93.3Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-115.8116.9174.1-173.10000108.3R62 A63 I65 T98 M100 L134 L149 A152R62-V136 CarbonylContact C-O 3.43Å; R62-V136 VanDerWaalsContact CA-O 3.27Å; R62-V136 WeakPolarHBondContact CA-O 3.38Å; A63-V136 PolarHBondContact N-O 3.05Å; A63-V136 PolarHBondContact O-N 2.99Å; I65-V136 HydrophobicContact CD1-CG2 4.02Å; T98-V136 HydrophobicContact CG2-CG1 4.23Å; M100-V136 HydrophobicContact CE-CG1 4.09Å; M100-V136 HydrophobicContact CE-CG2 4.4Å; M100-V136 HydrophobicContact CG-CG1 4.21Å; M100-V136 HydrophobicContact CG-CG2 4.15Å; M100-V136 HydrophobicContact SD-CG2 4.44Å; L134-V136 HydrophobicContact CD2-CG2 4.34Å; L134-V136 HydrophobicContact CG-CG2 4.37Å; V136-L149 HydrophobicContact CB-CD1 3.94Å; V136-L149 HydrophobicContact CG1-CD1 3.64Å; V136-A152 HydrophobicContact CG1-CB 3.87Å
137D95.1Very high93.8Very high21 Ų2138.5 Ų38.511%0.11220%0.196CC..EExtended strand (participates in β ladder)trans-110.2128.6178.5-76.9-31.4000109.6R62 K99 Q135R62-D137 VanDerWaalsContact CB-OD1 3.24Å; R62-D137 WeakPolarHBondContact CB-OD1 3.42Å; R62-D137 WeakPolarHBondContact CD-OD1 3.35Å; R62-D137 WeakPolarHBondContact CG-OD1 3.35Å; R62-D137 IonicContact CZ-OD1 3.98Å; R62-D137 IonicContact CZ-OD2 2.83Å; R62-D137 IonicContact NE-OD1 2.65Å; R62-D137 PolarHBondContact NE-OD1 3.39Å; R62-D137 IonicContact NE-OD2 3.33Å; R62-D137 IonicContact NH2-OD1 3.06Å; R62-D137 PolarHBondContact NH2-OD1 3.42Å; R62-D137 IonicContact NH2-OD2 3.69Å; R62-D137 PolarHBondContact NH2-OD2 3.27Å; R62-D137 VanDerWaalsContact NH2-OD2 3.08Å; K99-D137 HydrophobicContact CB-CB 4.28Å; K99-D137 PolarHBondContact N-O 2.64Å; K99-D137 PolarHBondContact O-N 3.28Å; Q135-D137 PolarHBondContact NE2-OD2 3.46Å
138S95.3Very high94.1Very high1 Ų138.4 Ų38.41%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-122136.2174.7-176.10000109.5K60 V61 S145K60-S138 WeakPolarHBondContact CA-O 3.47Å; V61-S138 PolarHBondContact N-O 3.22Å; V61-S138 PolarHBondContact O-N 3.28Å; S138-S145 WeakPolarHBondContact CB-O 3.37Å; S138-S145 VanDerWaalsContact OG-CA 3.26Å; S138-S145 WeakPolarHBondContact OG-CA 3.2Å; S138-S145 PolarHBondContact OG-O 3.04Å
139L92.9Very high94.4Very high81 Ų8139 Ų3942%0.42420%0.197SC..EExtended strand (participates in β ladder)trans-127.2130.3178.8-169.274000109.9I3 V59 K60I3-L139 HydrophobicContact CB-CD2 4.39Å; I3-L139 HydrophobicContact CG2-CD1 3.26Å; I3-L139 HydrophobicContact CG2-CD2 3.79Å; I3-L139 HydrophobicContact CG2-CG 3.95Å; V59-L139 WeakPolarHBondContact O-CD1 3.21Å; K60-L139 HydrophobicContact CB-CD1 3.75Å; K60-L139 HydrophobicContact CG-CD1 4.34Å
140G93Very high94.8Very high8 Ų833.4 Ų33.48%0.08218%0.183CC..EExtended strand (participates in β ladder)trans160.7-171.1177.600000111.7P58 V59P58-G140 CarbonylContact C-O 3.57Å; P58-G140 WeakPolarHBondContact CA-O 3.05Å; V59-G140 PolarHBondContact N-O 3.19Å; V59-G140 PolarHBondContact O-N 3.49Å
141P93.7Very high95.2Very high31 Ų3133.4 Ų33.420%0.20118%0.183CC..SBendtrans-51.1149.3168.9-25.534.8000111.5S143 E144 S145P141-S143 VanDerWaalsContact C-N 3.28Å; P141-S143 PolarHBondContact O-N 2.83Å; P141-E144 HydrophobicContact CG-CG 4.5Å; P141-E144 PolarHBondContact O-N 3.43Å; P141-S145 WeakPolarHBondContact O-CB 3.28Å; P141-S145 PolarHBondContact O-N 2.94Å; P141-S145 PolarHBondContact O-OG 3.12Å
142P92.1Very high95.4Very high5 Ų528.3 Ų28.33%0.03216%0.161CC..Hα-helixtrans-50.7-45.1-177.9-29.536.1000113.6F51 L53 N56 V59 S145 C146F51-P142 HydrophobicContact CB-CB 4.12Å; F51-P142 HydrophobicContact CB-CG 4.23Å; F51-P142 HydrophobicContact CD1-CB 3.98Å; F51-P142 HydrophobicContact CD1-CG 4.23Å; F51-P142 HydrophobicContact CG-CB 4.15Å; L53-P142 HydrophobicContact CD2-CB 3.9Å; L53-P142 HydrophobicContact CD2-CG 4.22Å; N56-P142 WeakPolarHBondContact OD1-CD 3.4Å; V59-P142 HydrophobicContact CG1-CG 4.37Å; V59-P142 HydrophobicContact CG2-CB 4.22Å; V59-P142 HydrophobicContact CG2-CG 3.95Å; P142-S145 PolarHBondContact O-OG 2.91Å; P142-S145 VanDerWaalsContact O-OG 3.12Å; P142-C146 WeakPolarHBondContact O-CB 3.49Å; P142-C146 PolarHBondContact O-N 3.08Å; P142-C146 PolarHBondContact O-SG 2.7Å
143S93.7Very high95.5Very high87 Ų8731.2 Ų31.261%0.60818%0.176SC*.Hα-helixtrans-63.2-49.7179.5-51.30000112.7P141 Y147P141-S143 VanDerWaalsContact C-N 3.28Å; P141-S143 PolarHBondContact O-N 2.83Å; S143-Y147 WeakPolarHBondContact O-CB 3.39Å; S143-Y147 PolarHBondContact O-N 2.84Å; S143-Y147 VanDerWaalsContact O-N 3.09Å
144E94.3Very high95.5Very high39 Ų3933.4 Ų33.418%0.18220%0.195CC..Hα-helixtrans-68.4-42-179.3-70.1-178.9-160.500112.4P141 Y147 R148 Y277P141-E144 HydrophobicContact CG-CG 4.5Å; P141-E144 PolarHBondContact O-N 3.43Å; E144-Y147 PolarHBondContact O-N 3.25Å; E144-R148 WeakPolarHBondContact O-CB 3.37Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 3.18Å; E144-R148 IonicContact OE2-CZ 3.94Å; E144-R148 IonicContact OE2-NH1 3.48Å; E144-R148 IonicContact OE2-NH2 2.71Å; E144-R148 PolarHBondContact OE2-NH2 3.18Å; E144-Y277 WeakPolarHBondContact OE1-CD1 3.27Å
145S94.5Very high95.4Very high0 Ų035.8 Ų35.80%021%0.206CC..Hα-helixtrans-65.3-42.4-176.259.40000111.5S138 P141 P142 L149S138-S145 WeakPolarHBondContact CB-O 3.37Å; S138-S145 VanDerWaalsContact OG-CA 3.26Å; S138-S145 WeakPolarHBondContact OG-CA 3.2Å; S138-S145 PolarHBondContact OG-O 3.04Å; P141-S145 WeakPolarHBondContact O-CB 3.28Å; P141-S145 PolarHBondContact O-N 2.94Å; P141-S145 PolarHBondContact O-OG 3.12Å; P142-S145 PolarHBondContact O-OG 2.91Å; P142-S145 VanDerWaalsContact O-OG 3.12Å; S145-L149 VanDerWaalsContact O-CB 3.3Å; S145-L149 WeakPolarHBondContact O-CB 3.47Å; S145-L149 PolarHBondContact O-N 3.19Å
146C95.1Very high95.3Very high52 Ų5235.1 Ų35.135%0.35120%0.203SC..Hα-helixtrans-65.2-41.5173.1-70.90000112.1P142 L149 A150P142-C146 WeakPolarHBondContact O-CB 3.49Å; P142-C146 PolarHBondContact O-N 3.08Å; P142-C146 PolarHBondContact O-SG 2.7Å; C146-L149 PolarHBondContact O-N 3.2Å; C146-A150 WeakPolarHBondContact O-CB 3.18Å; C146-A150 PolarHBondContact O-N 2.71Å
147Y97.1Very high95.1Very high81 Ų8143.6 Ų43.632%0.31824%0.235SC..Hα-helixtrans-61.2-51.6175.5169-113.1000112.1S143 E144 L149 A150 H151 F270S143-Y147 WeakPolarHBondContact O-CB 3.39Å; S143-Y147 PolarHBondContact O-N 2.84Å; S143-Y147 VanDerWaalsContact O-N 3.09Å; E144-Y147 PolarHBondContact O-N 3.25Å; Y147-L149 VanDerWaalsContact C-N 3.27Å; Y147-L149 PolarHBondContact O-N 3.03Å; Y147-A150 PolarHBondContact O-N 3.1Å; Y147-A150 VanDerWaalsContact O-N 3.12Å; Y147-H151 WeakPolarHBondContact O-CB 3.46Å; Y147-H151 PolarHBondContact O-N 3.46Å; Y147-F270 HydrophobicContact CD2-CE1 4.02Å; Y147-F270 HydrophobicContact CD2-CE2 4.47Å; Y147-F270 AromaticContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CD2-CZ 3.47Å; Y147-F270 VanDerWaalsContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CE2-CD1 4.41Å; Y147-F270 AromaticContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE2 4.33Å; Y147-F270 AromaticContact CE2-CZ 3.19Å; Y147-F270 HydrophobicContact CE2-CZ 3.19Å
148R97.6Very high94.9Very high36 Ų3648 Ų4814%0.13625%0.253CS..Hα-helixtrans-58.2-41177.5-73.5173.4-174.5161.412.4111.6T96 K97 T98 E144 H151 A152T96-R148 WeakPolarHBondContact O-CB 3.29Å; T96-R148 WeakPolarHBondContact O-CG 3.35Å; K97-R148 HydrophobicContact CB-CG 4.43Å; T98-R148 HydrophobicContact CG2-CB 4Å; E144-R148 WeakPolarHBondContact O-CB 3.37Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 3.18Å; E144-R148 IonicContact OE2-CZ 3.94Å; E144-R148 IonicContact OE2-NH1 3.48Å; E144-R148 IonicContact OE2-NH2 2.71Å; E144-R148 PolarHBondContact OE2-NH2 3.18Å; R148-H151 PolarHBondContact O-N 3.31Å; R148-A152 VanDerWaalsContact O-CB 3.3Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 2.88Å
149L97.2Very high94.7Very high18 Ų1849.9 Ų49.99%0.09426%0.262CS..Hα-helixtrans-61.8-48.7175.1-174.564.2000111.2V61 A63 V136 S145 C146 Y147 H151 A152 L153V61-L149 HydrophobicContact CB-CD2 4.17Å; V61-L149 HydrophobicContact CG1-CD2 3.47Å; V61-L149 VanDerWaalsContact CG1-CD2 3.47Å; A63-L149 HydrophobicContact CB-CD1 3.82Å; A63-L149 HydrophobicContact CB-CD2 4.3Å; A63-L149 HydrophobicContact CB-CG 4.4Å; V136-L149 HydrophobicContact CB-CD1 3.94Å; V136-L149 HydrophobicContact CG1-CD1 3.64Å; S145-L149 VanDerWaalsContact O-CB 3.3Å; S145-L149 WeakPolarHBondContact O-CB 3.47Å; S145-L149 PolarHBondContact O-N 3.19Å; C146-L149 PolarHBondContact O-N 3.2Å; Y147-L149 VanDerWaalsContact C-N 3.27Å; Y147-L149 PolarHBondContact O-N 3.03Å; L149-H151 PolarHBondContact O-N 3.39Å; L149-A152 WeakPolarHBondContact O-CB 3.35Å; L149-A152 PolarHBondContact O-N 3.27Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.34Å; L149-L153 PolarHBondContact O-N 2.97Å
150A97.4Very high94.5Very high57 Ų5747.1 Ų47.147%0.47125%0.248SC..Hα-helixtrans-61.9-42.6178.400000112.4C146 Y147 L153 A154C146-A150 WeakPolarHBondContact O-CB 3.18Å; C146-A150 PolarHBondContact O-N 2.71Å; Y147-A150 PolarHBondContact O-N 3.1Å; Y147-A150 VanDerWaalsContact O-N 3.12Å; A150-L153 PolarHBondContact O-N 3.2Å; A150-A154 PolarHBondContact O-N 3.3Å; A150-A154 VanDerWaalsContact O-N 3.07Å
151H97.6Very high93.9Very high55 Ų5552.1 Ų52.126%0.25527%0.272SS..Hα-helixtrans-60.6-45.4175.3-176.6-141.8000111.5Y147 R148 L149 L153 A154 E155Y147-H151 WeakPolarHBondContact O-CB 3.46Å; Y147-H151 PolarHBondContact O-N 3.46Å; R148-H151 PolarHBondContact O-N 3.31Å; L149-H151 PolarHBondContact O-N 3.39Å; H151-L153 PolarHBondContact O-N 3.24Å; H151-A154 WeakPolarHBondContact O-CB 3.36Å; H151-A154 PolarHBondContact O-N 2.96Å; H151-E155 PolarHBondContact O-N 2.92Å; H151-E155 VanDerWaalsContact O-N 3.12Å
152A97.6Very high92.6Very high0 Ų054.8 Ų54.80%029%0.289CS..Hα-helixtrans-59.1-42.8174.100000113.4T96 T98 M100 V136 R148 L149 A154 E155 V156T96-A152 HydrophobicContact CG2-CB 3.98Å; T98-A152 HydrophobicContact CG2-CB 3.85Å; M100-A152 HydrophobicContact CE-CB 3.52Å; V136-A152 HydrophobicContact CG1-CB 3.87Å; R148-A152 VanDerWaalsContact O-CB 3.3Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 2.88Å; L149-A152 WeakPolarHBondContact O-CB 3.35Å; L149-A152 PolarHBondContact O-N 3.27Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.02Å; A152-E155 PolarHBondContact O-N 3.45Å; A152-V156 WeakPolarHBondContact O-CB 3.44Å; A152-V156 VanDerWaalsContact O-CG2 3.29Å; A152-V156 WeakPolarHBondContact O-CG2 3.39Å; A152-V156 PolarHBondContact O-N 3.46Å
153L96.5Very high90.9Very high66 Ų6661.9 Ų61.935%0.34632%0.322SS..Hα-helixtrans-62.7-38.1177-67.2178.9000111.9A63 I65 L149 A150 H151 R157A63-L153 HydrophobicContact CB-CD2 4.18Å; I65-L153 HydrophobicContact CD1-CD2 3.46Å; I65-L153 VanDerWaalsContact CD1-CD2 3.46Å; I65-L153 HydrophobicContact CG1-CD2 3.88Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.34Å; L149-L153 PolarHBondContact O-N 2.97Å; A150-L153 PolarHBondContact O-N 3.2Å; H151-L153 PolarHBondContact O-N 3.24Å; L153-R157 VanDerWaalsContact O-CB 3.3Å; L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 PolarHBondContact O-N 2.96Å
154A95.5Very high89Confident47 Ų4767 Ų6739%0.38834%0.336SS..Hα-helixtrans-65.1-44.8177.100000112A150 H151 A152 R157 K158A150-A154 PolarHBondContact O-N 3.3Å; A150-A154 VanDerWaalsContact O-N 3.07Å; H151-A154 WeakPolarHBondContact O-CB 3.36Å; H151-A154 PolarHBondContact O-N 2.96Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.02Å; A154-R157 WeakPolarHBondContact O-CB 3.42Å; A154-R157 PolarHBondContact O-N 3.39Å; A154-K158 WeakPolarHBondContact O-CG 3.29Å; A154-K158 PolarHBondContact O-N 3.29Å
155E94.1Very high87.1Confident50 Ų5070.6 Ų70.623%0.23436%0.361CS..Hα-helixtrans-65.8-44.4177.6-71.3-55.4127.300112.4V92 T96 H151 A152 R157 K158 I159V92-E155 HydrophobicContact CG1-CB 3.94Å; T96-E155 HydrophobicContact CG2-CB 4.49Å; T96-E155 HydrophobicContact CG2-CG 4.19Å; H151-E155 PolarHBondContact O-N 2.92Å; H151-E155 VanDerWaalsContact O-N 3.12Å; A152-E155 PolarHBondContact O-N 3.45Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 3.34Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.29Å; E155-K158 IonicContact OE1-NZ 3.24Å; E155-K158 PolarHBondContact OE1-NZ 3.07Å; E155-K158 IonicContact OE2-NZ 2.7Å; E155-I159 PolarHBondContact O-N 3.29Å
156V94.4Very high85.1Confident2 Ų277.8 Ų77.81%0.01240%0.395CS..Hα-helixtrans-61.4-39.8176.3170.10000111.1I65 L81 V92 M100 L134 A152 K158 I159 M160I65-V156 HydrophobicContact CD1-CB 4.41Å; I65-V156 HydrophobicContact CD1-CG1 3.86Å; L81-V156 HydrophobicContact CD2-CG1 4.11Å; V92-V156 HydrophobicContact CG1-CG2 4.48Å; M100-V156 HydrophobicContact CE-CG2 4.01Å; M100-V156 HydrophobicContact SD-CG2 3.96Å; L134-V156 HydrophobicContact CD2-CB 4.45Å; L134-V156 HydrophobicContact CD2-CG1 3.74Å; L134-V156 HydrophobicContact CD2-CG2 3.81Å; A152-V156 WeakPolarHBondContact O-CB 3.44Å; A152-V156 VanDerWaalsContact O-CG2 3.29Å; A152-V156 WeakPolarHBondContact O-CG2 3.39Å; A152-V156 PolarHBondContact O-N 3.46Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3.14Å; V156-I159 PolarHBondContact O-N 2.83Å; V156-I159 VanDerWaalsContact O-N 3.14Å; V156-M160 HydrophobicContact CG1-CG 4.08Å; V156-M160 HydrophobicContact CG1-SD 3.67Å; V156-M160 WeakPolarHBondContact O-CG 3.21Å; V156-M160 PolarHBondContact O-N 2.83Å
157R92.3Very high82.9Confident178 Ų17877.8 Ų77.867%0.67239%0.394SS*.Hα-helixtrans-58.5-42.2177.6-176.4-179.8176.8-167-2.4111.8L153 A154 E155 I159 M160 L161L153-R157 VanDerWaalsContact O-CB 3.3Å; L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 PolarHBondContact O-N 2.96Å; A154-R157 WeakPolarHBondContact O-CB 3.42Å; A154-R157 PolarHBondContact O-N 3.39Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 3.34Å; R157-I159 VanDerWaalsContact C-N 3.3Å; R157-I159 PolarHBondContact O-N 3.11Å; R157-M160 PolarHBondContact O-N 3Å; R157-L161 PolarHBondContact O-N 3.11Å
158K91.5Very high80.9Confident113 Ų11378 Ų7849%0.49140%0.404SS..Hα-helixtrans-61.4-36.7177.1-65.1170.6-175.3171.90112.4A154 E155 V156 L161 P162A154-K158 WeakPolarHBondContact O-CG 3.29Å; A154-K158 PolarHBondContact O-N 3.29Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.29Å; E155-K158 IonicContact OE1-NZ 3.24Å; E155-K158 PolarHBondContact OE1-NZ 3.07Å; E155-K158 IonicContact OE2-NZ 2.7Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3.14Å; K158-L161 CarbonylContact O-C 3.5Å; K158-P162 WeakPolarHBondContact O-CA 3.27Å
159I90.9Very high78.9Confident41 Ų4179.7 Ų79.721%0.2143%0.426CS..Hα-helixtrans-74.9-41.9-179.9-60.6165.6000111.2K80 L81 T88 V92 E155 V156 R157K80-I159 HydrophobicContact CB-CG2 4.46Å; L81-I159 HydrophobicContact CD2-CB 4.35Å; L81-I159 HydrophobicContact CD2-CG2 4Å; T88-I159 HydrophobicContact CG2-CD1 3.98Å; V92-I159 HydrophobicContact CG2-CD1 3.68Å; E155-I159 PolarHBondContact O-N 3.29Å; V156-I159 PolarHBondContact O-N 2.83Å; V156-I159 VanDerWaalsContact O-N 3.14Å; R157-I159 VanDerWaalsContact C-N 3.3Å; R157-I159 PolarHBondContact O-N 3.11Å
160M87.7Confident77Confident24 Ų2486.4 Ų86.412%0.11846%0.457CS..Hα-helixtrans-73-40.5-179-65.5-176.895.800112.1I65 I67 F77 L81 V156 R157I65-M160 HydrophobicContact CG2-CE 4.47Å; I65-M160 HydrophobicContact CG2-SD 4.09Å; I67-M160 HydrophobicContact CB-CE 4.37Å; I67-M160 HydrophobicContact CG1-CE 3.81Å; I67-M160 HydrophobicContact CG2-CE 4.37Å; F77-M160 HydrophobicContact CD1-CE 4.38Å; L81-M160 HydrophobicContact CD1-CE 4.47Å; L81-M160 HydrophobicContact CD2-CG 3.99Å; V156-M160 HydrophobicContact CG1-CG 4.08Å; V156-M160 HydrophobicContact CG1-SD 3.67Å; V156-M160 WeakPolarHBondContact O-CG 3.21Å; V156-M160 PolarHBondContact O-N 2.83Å; R157-M160 PolarHBondContact O-N 3Å
161L81.3Confident74.9Confident112 Ų11289.4 Ų89.459%0.58646%0.461SS*.SBendtrans-123.489.6179.2-61172.1000106.7R157 K158 E163R157-L161 PolarHBondContact O-N 3.11Å; K158-L161 CarbonylContact O-C 3.5Å; L161-E163 PolarHBondContact O-N 3.02Å
162P65.8Low72.9Confident88 Ų8893.9 Ų93.957%0.57148%0.476SS*.  trans-54.1120.4170.122-30.4000106.9K158 Q164K158-P162 WeakPolarHBondContact O-CA 3.27Å; P162-Q164 PolarHBondContact O-N 3.05Å; P162-Q164 VanDerWaalsContact O-N 3.16Å
163E57.1Low71.2Confident154 Ų15497.8 Ų97.872%0.7250%0.5SS*.  trans-49.5129159.8-94.8168.7-179.100104.8L161 T165L161-E163 PolarHBondContact O-N 3.02Å; E163-T165 PolarHBondContact O-N 3.12Å
164Q54.4Low69.4Low193 Ų193102.2 Ų102.290%0.90252%0.518SS*.  trans-57.894.2165.5-67-177.159.700103.6P162 E166P162-Q164 PolarHBondContact O-N 3.05Å; P162-Q164 VanDerWaalsContact O-N 3.16Å; Q164-E166 PolarHBondContact O-N 2.81Å
165T54Low67.5Low115 Ų115106.1 Ų106.171%0.70653%0.529SS*.  trans-59.7100.9171.547.40000102.3E163 P167E163-T165 PolarHBondContact O-N 3.12Å; T165-P167 WeakPolarHBondContact O-CD 3.4Å
166E51.9Low65.7Low152 Ų152107 Ų10771%0.7154%0.54SS*.  trans-38.8118.3159.9-90.8-70.8138.200104.6Q164 T168Q164-E166 PolarHBondContact O-N 2.81Å; E166-T168 PolarHBondContact O-N 3.48Å
167P48.1Very low64Low52 Ų52114.3 Ų114.334%0.33857%0.574SS.*  trans-49.2115.7-1765.7-15.4000106.3T165 A169 Q171T165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-A169 PolarHBondContact O-N 3.38Å; P167-Q171 HydrophobicContact CB-CB 3.93Å; P167-Q171 VanDerWaalsContact CB-OE1 3.31Å
168T55.7Low62.1Low84 Ų84109.8 Ų109.852%0.51557%0.57SS.*  trans-47.8141.1-175.3-60.20000107.6E166 Q170 Q171E166-T168 PolarHBondContact O-N 3.48Å; T168-Q170 HydrophobicContact CG2-CB 4.42Å; T168-Q170 HydrophobicContact CG2-CG 4.31Å; T168-Q170 CarbonylContact O-C 3.56Å; T168-Q170 PolarHBondContact O-N 2.91Å; T168-Q171 WeakPolarHBondContact O-CA 3.38Å; T168-Q171 WeakPolarHBondContact O-CB 3.34Å; T168-Q171 PolarHBondContact O-N 3.41Å
169A55Low60Low73 Ų73110.5 Ų110.560%0.60358%0.578SS**Hα-helixtrans-46-27.3-174.600000114.1P167 W172 V173P167-A169 PolarHBondContact O-N 3.38Å; A169-W172 PolarHBondContact O-N 2.93Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 2.88Å
170Q59Low58Low159 Ų159114.2 Ų114.274%0.74361%0.605SS**Hα-helixtrans-59.6-40.6170.8-59.3-174300114.5T168 Q174T168-Q170 HydrophobicContact CG2-CB 4.42Å; T168-Q170 HydrophobicContact CG2-CG 4.31Å; T168-Q170 CarbonylContact O-C 3.56Å; T168-Q170 PolarHBondContact O-N 2.91Å; Q170-Q174 PolarHBondContact O-N 3.45Å
171Q53.3Low56.2Low120 Ų120119.2 Ų119.256%0.56164%0.636SS**Hα-helixtrans-68.8-38.2173.7-69-176.9-1.500112P167 T168 Q174 Q175P167-Q171 HydrophobicContact CB-CB 3.93Å; P167-Q171 VanDerWaalsContact CB-OE1 3.31Å; T168-Q171 WeakPolarHBondContact O-CA 3.38Å; T168-Q171 WeakPolarHBondContact O-CB 3.34Å; T168-Q171 PolarHBondContact O-N 3.41Å; Q171-Q174 PolarHBondContact O-N 3.32Å; Q171-Q175 PolarHBondContact O-N 2.8Å
172W54.6Low54.3Low148 Ų148120.3 Ų120.356%0.56165%0.65SS**Hα-helixtrans-62.9-46.1173.5-91.5100.1000112.2A169 Q174 Q175 S176A169-W172 PolarHBondContact O-N 2.93Å; W172-Q174 PolarHBondContact O-N 2.95Å; W172-Q175 PolarHBondContact O-N 3.16Å; W172-Q175 VanDerWaalsContact O-N 3.13Å; W172-S176 WeakPolarHBondContact O-CB 3.29Å; W172-S176 PolarHBondContact O-N 2.88Å; W172-S176 PolarHBondContact O-OG 3.41Å
173V62Low53.2Low83 Ų83118.7 Ų118.750%0.50365%0.649SS.*Hα-helixtrans-62.3-32.1178.2171.20000111.7A169 S176 Q177A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 2.88Å; V173-S176 PolarHBondContact O-OG 3.49Å; V173-Q177 WeakPolarHBondContact O-CG 3.48Å; V173-Q177 PolarHBondContact O-NE2 3Å
174Q59.3Low52.5Low158 Ų158122.2 Ų122.274%0.73866%0.656SS**Hα-helixtrans-74.6-36.1175.4-169153.480.900112.2Q170 Q171 W172Q170-Q174 PolarHBondContact O-N 3.45Å; Q171-Q174 PolarHBondContact O-N 3.32Å; W172-Q174 PolarHBondContact O-N 2.95Å
175Q55.8Low51.5Low130 Ų130120.7 Ų120.761%0.60765%0.654SS**Hα-helixtrans-77.1-36.1178.8-163.4166.949.500112.6Q171 W172 Q177 S178Q171-Q175 PolarHBondContact O-N 2.8Å; W172-Q175 PolarHBondContact O-N 3.16Å; W172-Q175 VanDerWaalsContact O-N 3.13Å; Q175-Q177 PolarHBondContact O-N 2.94Å; Q175-S178 PolarHBondContact O-N 3.36Å; Q175-S178 PolarHBondContact O-OG 2.98Å
176S55.6Low51Low67 Ų67120.2 Ų120.247%0.46965%0.651SS.*Hα-helixtrans-66.6-23177.766.50000113.3W172 V173 S178W172-S176 WeakPolarHBondContact O-CB 3.29Å; W172-S176 PolarHBondContact O-N 2.88Å; W172-S176 PolarHBondContact O-OG 3.41Å; V173-S176 PolarHBondContact O-OG 3.49Å; S176-S178 PolarHBondContact O-N 2.97Å
177Q58.1Low50.4Low157 Ų157118.6 Ų118.673%0.73465%0.654SS**THydrogen-bonded Turntrans-73.1-11.8173.8-77.3-177.964.400113.6V173 Q175V173-Q177 WeakPolarHBondContact O-CG 3.48Å; V173-Q177 PolarHBondContact O-NE2 3Å; Q175-Q177 PolarHBondContact O-N 2.94Å
178S53.5Low50.2Low82 Ų82122.3 Ų122.357%0.57368%0.675SS**THydrogen-bonded Turntrans-92.22.917768.60000114.8Q175 S176 P180Q175-S178 PolarHBondContact O-N 3.36Å; Q175-S178 PolarHBondContact O-OG 2.98Å; S176-S178 PolarHBondContact O-N 2.97Å; S178-P180 VanDerWaalsContact O-CD 3.23Å; S178-P180 WeakPolarHBondContact O-CD 3.38Å
179L47.5Very low49.3Very low129 Ų129128.9 Ų128.968%0.67569%0.691SS**  trans-80.1114.3171.7-81.894.7000110.3V181L179-V181 PolarHBondContact O-N 2.98Å
180P48.9Very low48.3Very low118 Ų118130.8 Ų130.877%0.76670%0.7SS**  trans-70.1114.8173.5-7.425.1000107.8S178 P182S178-P180 VanDerWaalsContact O-CD 3.23Å; S178-P180 WeakPolarHBondContact O-CD 3.38Å; P180-P182 VanDerWaalsContact O-CD 3.29Å; P180-P182 WeakPolarHBondContact O-CD 3.44Å
181V50Low47.6Very low129 Ų129130.3 Ų130.378%0.78270%0.7SS**  trans-65.7119.8168.8-1740000107.2L179 G183L179-V181 PolarHBondContact O-N 2.98Å; V181-G183 PolarHBondContact O-N 3.49Å
182P40.7Very low46.6Very low135 Ų135136.1 Ų136.188%0.87772%0.717SS**  trans-7780.6175.931.4-30000107.5P180P180-P182 VanDerWaalsContact O-CD 3.29Å; P180-P182 WeakPolarHBondContact O-CD 3.44Å
183G43.3Very low46Very low54 Ų54133.7 Ų133.756%0.55772%0.72SS**  trans-135.187.9-167.300000112.1V181V181-G183 PolarHBondContact O-N 3.49Å
184R41.5Very low44.9Very low229 Ų229135.6 Ų135.686%0.86474%0.735SS**  trans68.990.4150-132.3170.9-173.5173.70.5115.8V186R184-V186 PolarHBondContact O-N 2.81Å
185N34.5Very low44.2Very low160 Ų160136.2 Ų136.286%0.85674%0.742SS**  trans-47.597.3158.1-160.517.2000111.1
186V43.7Very low43.2Very low105 Ų105142.2 Ų142.264%0.63676%0.759SS**  trans-133.8108.6161.7-79.20000108.9R184 V188R184-V186 PolarHBondContact O-N 2.81Å; V186-V188 PolarHBondContact O-N 2.87Å
187P38.7Very low42.3Very low118 Ų118141.9 Ų141.977%0.76677%0.766SS**  trans-75.591.9179.529.8-32000108.9R189P187-R189 PolarHBondContact O-N 3.33Å; P187-R189 VanDerWaalsContact O-N 3.16Å
188V42.9Very low41.8Very low131 Ų131140.3 Ų140.379%0.79477%0.769SS**  trans-80.5100.2169.3-178.10000107.4V186 S190V186-V188 PolarHBondContact O-N 2.87Å; V188-S190 PolarHBondContact O-N 2.65Å
189R37Very low41.5Very low222 Ų222142.2 Ų142.284%0.83878%0.78SS**  trans-49.3131.8172.8-83.1177.1169.7177-3.5110.4P187 I191P187-R189 PolarHBondContact O-N 3.33Å; P187-R189 VanDerWaalsContact O-N 3.16Å; R189-I191 PolarHBondContact O-N 2.81Å
190S35Very low41.7Very low113 Ų113141.6 Ų141.679%0.7978%0.783SS**  trans-5797.3171.640.50000111.7V188V188-S190 PolarHBondContact O-N 2.65Å
191I43.2Very low41.6Very low148 Ų148141.5 Ų141.576%0.75978%0.783SS**  trans-117.595.9158.1-56.3-178.9000105.9R189 P193R189-I191 PolarHBondContact O-N 2.81Å; I191-P193 VanDerWaalsContact O-CD 3.28Å; I191-P193 WeakPolarHBondContact O-CD 3.49Å
192R32Very low41.4Very low243 Ų243143.9 Ų143.992%0.91779%0.79SS**  trans-86.5118.7165.1-69.2-176.8175-152.3-0.6107.8
193P42.7Very low41.4Very low96 Ų96146.5 Ų146.562%0.62379%0.791SS**  trans-112.1140.914729.7-17.7000109.5I191 L195I191-P193 VanDerWaalsContact O-CD 3.28Å; I191-P193 WeakPolarHBondContact O-CD 3.49Å; P193-L195 PolarHBondContact O-N 3.47Å
194P38.6Very low41.4Very low124 Ų124147.8 Ų147.881%0.80580%0.796SS**  trans-83.7112.2-17532.7-29.5000109.5
195L44.5Very low41.3Very low170 Ų170142.8 Ų142.889%0.8979%0.794SS**  trans-122.896.1164.8-76.6172.4000110P193 G197P193-L195 PolarHBondContact O-N 3.47Å; L195-G197 PolarHBondContact O-N 3.4Å
196R34.8Very low41.7Very low257 Ų257144.8 Ų144.897%0.9780%0.795SS**  trans-53.4102.7161.4-173.4-173.6-168.6-164.73.6109
197G38.4Very low41.5Very low60 Ų60145.6 Ų145.662%0.61980%0.803SS**  trans-145.9130.7171.400000109.8L195L195-G197 PolarHBondContact O-N 3.4Å
198P47.5Very low41.8Very low123 Ų123144.5 Ų144.580%0.79980%0.803SS**PPolyproline II helixtrans-70.2152.2-173.730.2-34.1000111.6
199P46.2Very low41.9Very low122 Ų122143.5 Ų143.579%0.79280%0.8SS**PPolyproline II helixtrans-66.9134.8-176.427.8-33.5000110.9
200P51.4Low42.4Very low116 Ų116138.3 Ų138.375%0.75380%0.795SS**PPolyproline II helixtrans-70.1153.5172.129.4-32.2000110.8
201P46.1Very low42.9Very low116 Ų116139.1 Ų139.175%0.75380%0.795SS**PPolyproline II helixtrans-68.8140.3-167.727.1-33.9000112.6Q203P201-Q203 PolarHBondContact O-N 2.56Å
202L47Very low42.7Very low179 Ų179140.3 Ų140.394%0.93780%0.797SS**  trans-45.5104.7171.5-66159.5000110.4
203Q39.6Very low43Very low191 Ų191136.2 Ų136.289%0.89379%0.792SS**PPolyproline II helixtrans-74.8134.7167.3-75.7-174.833.900109.3P201P201-Q203 PolarHBondContact O-N 2.56Å
204A43.5Very low42.8Very low81 Ų81137.1 Ų137.167%0.66980%0.798SS**PPolyproline II helixtrans-62.5162.9-163.500000114.5
205P39.9Very low42.7Very low124 Ų124141 Ų14181%0.80580%0.803SS**PPolyproline II helixtrans-72.1134.3-170.2-9.326.2000111.9
206F43Very low42.3Very low201 Ų201144.6 Ų144.688%0.88280%0.804SS**PPolyproline II helixtrans-68.9132.3167.1-73.9-85.8000110.2A208F206-A208 PolarHBondContact O-N 3.48Å
207P40.1Very low42.4Very low123 Ų123135.4 Ų135.480%0.79979%0.79SS**PPolyproline II helixtrans-75.4120.5176.528.8-31.5000110.4
208A43.7Very low42.5Very low95 Ų95143.9 Ų143.979%0.78580%0.804SS**PPolyproline II helixtrans-79.2135.7169.600000110.2F206F206-A208 PolarHBondContact O-N 3.48Å
209P46Very low42Very low110 Ų110141.6 Ų141.671%0.71480%0.802SS**PPolyproline II helixtrans-74.5154.7-176.129.9-34000112.8V211P209-V211 PolarHBondContact O-N 3Å
210P47.5Very low41.6Very low113 Ų113144.8 Ų144.873%0.73480%0.804SS**PPolyproline II helixtrans-72.8118.8-175.728.5-33.2000111.7Q212P210-Q212 PolarHBondContact O-N 3.49Å
211V44.9Very low41Very low130 Ų130145 Ų14579%0.78881%0.805SS**  trans-80.499.2169.9-178.40000108.1P209 L213P209-V211 PolarHBondContact O-N 3Å; V211-L213 PolarHBondContact O-N 3.04Å
212Q38.5Very low40.4Very low173 Ų173151.8 Ų151.881%0.80882%0.815SS**  trans-78.1105.4172.2-63-175.87.800109.1P210P210-Q212 PolarHBondContact O-N 3.49Å
213L38.5Very low40.1Very low156 Ų156150.7 Ų150.782%0.81781%0.809SS**  trans-78.7122.1173.4-75.3161.3000109.6V211 F215V211-L213 PolarHBondContact O-N 3.04Å; L213-F215 PolarHBondContact O-N 3.02Å
214P39.9Very low40Very low116 Ų116144.8 Ų144.875%0.75380%0.8SS**  trans-76.6115179.828.8-30.9000110.7R216P214-R216 PolarHBondContact O-N 3.42Å
215F36.6Very low39.7Very low206 Ų206152.7 Ų152.790%0.90481%0.812SS**  trans-6396.3170.2-164.8-99.5000110.1L213L213-F215 PolarHBondContact O-N 3.02Å
216R35.2Very low39.5Very low244 Ų244150.6 Ų150.692%0.92181%0.813SS**  trans-99.682.9169.7-109-171-179.5-177.22.4109.8P214 R218P214-R216 PolarHBondContact O-N 3.42Å; R216-R218 PolarHBondContact O-N 3.34Å
217G38.1Very low39.2Very low65 Ų65147.6 Ų147.667%0.6781%0.811SS**  trans-66.8105.8165.800000110.4G219G217-G219 PolarHBondContact O-N 3.04Å
218R38.5Very low39.3Very low238 Ų238144.8 Ų144.890%0.89880%0.798SS**  trans-95.372.7175.3-149-173.3-162.5-143.25.2109.2R216 K220R216-R218 PolarHBondContact O-N 3.34Å; R218-K220 PolarHBondContact O-N 2.95Å
219G37.9Very low39.6Very low75 Ų75150.1 Ų150.177%0.77380%0.804SS**PPolyproline II helixtrans-71.9117.8169.300000110.2G217G217-G219 PolarHBondContact O-N 3.04Å
220K37.1Very low39.6Very low189 Ų189151.5 Ų151.582%0.82281%0.805SS**PPolyproline II helixtrans-76.7132.9176.2-72.4164.3172.9175.50109.4R218R218-K220 PolarHBondContact O-N 2.95Å
221P38.7Very low39.4Very low119 Ų119150 Ų15077%0.77381%0.81SS**PPolyproline II helixtrans-78.6135.2-179.231.9-31.6000110.7I223P221-I223 PolarHBondContact O-N 3.4Å
222W35Very low39.1Very low259 Ų259149.3 Ų149.398%0.98181%0.806SS**PPolyproline II helixtrans-66121.2173.7-159.9-52.8000109G224W222-G224 PolarHBondContact O-N 3.16Å
223I39.6Very low39.3Very low156 Ų156145.1 Ų145.180%0.880%0.8SS**PPolyproline II helixtrans-64.3123.2-179.4-67.1176.1000109.4P221P221-I223 PolarHBondContact O-N 3.4Å
224G37.1Very low39.5Very low68 Ų68144 Ų14470%0.70180%0.8SS**PPolyproline II helixtrans-62.1133-178.300000113W222W222-G224 PolarHBondContact O-N 3.16Å
225R37.1Very low39.7Very low247 Ų247146.4 Ų146.493%0.93280%0.801SS**PPolyproline II helixtrans-61132.6163.4-87.3-177.3-175.6-109.51.2109.1
226G35.6Very low39.9Very low79 Ų79141.2 Ų141.281%0.81479%0.788SS**PPolyproline II helixtrans-56.7132.6-174.800000114.1
227V36.9Very low40.2Very low138 Ų138135.4 Ų135.484%0.83678%0.782SS**PPolyproline II helixtrans-78.7123.3167.3176.60000107.9
228A42Very low40.7Very low65 Ų65138.6 Ų138.654%0.53779%0.788SS.*PPolyproline II helixtrans-66.2134.1171.100000109.6N230A228-N230 PolarHBondContact O-N 3.29Å
229K50.3Low40.7Very low207 Ų207132.9 Ų132.990%0.978%0.782SS**THydrogen-bonded Turntrans-63.9-2.6-170.6-74.1-177.4173.4179.10115.8
230N46.9Very low40.7Very low139 Ų139132.6 Ų132.674%0.74378%0.779SS**THydrogen-bonded Turntrans-123.817.3-170.6-62.37.8000114.6A228 V232A228-N230 PolarHBondContact O-N 3.29Å; N230-V232 PolarHBondContact O-N 3.4Å
231G43.4Very low40.7Very low81 Ų81129 Ų12984%0.83578%0.784SS**SBendtrans65.56.416600000117.1
232V39Very low40.8Very low115 Ų115128 Ų12870%0.69778%0.78SS**  trans-112.2122.3178.7-1750000109.6N230 V234N230-V232 PolarHBondContact O-N 3.4Å; V232-V234 PolarHBondContact O-N 2.98Å
233A41.1Very low40.8Very low85 Ų85124.5 Ų124.570%0.70278%0.775SS**  trans-63.6119.6173.500000109.6Q235A233-Q235 PolarHBondContact O-N 3.18Å
234V42.5Very low40.8Very low133 Ų133124 Ų12481%0.80678%0.778SS**  trans-71.394.8172.1-179.10000107.2V232V232-V234 PolarHBondContact O-N 2.98Å
235Q44.5Very low41.1Very low167 Ų167129.4 Ų129.478%0.7878%0.783SS**PPolyproline II helixtrans-70.5125.5169.2-69.7-124.132.800108.3A233A233-Q235 PolarHBondContact O-N 3.18Å
236P41.4Very low41.2Very low97 Ų97122.4 Ų122.463%0.6378%0.778SS**PPolyproline II helixtrans-64142.917126.4-31.4000109.7V238P236-V238 PolarHBondContact O-N 3.34Å
237P40.8Very low41.8Very low122 Ų122124.7 Ų124.779%0.79277%0.771SS**PPolyproline II helixtrans-65.8124.218026.5-32.5000110P239P237-P239 VanDerWaalsContact O-CD 3.31Å; P237-P239 WeakPolarHBondContact O-CD 3.42Å
238V48.7Very low42.3Very low131 Ų131126.8 Ų126.879%0.79477%0.772SS**PPolyproline II helixtrans-75.2118.1174.9-176.80000108.3P236P236-V238 PolarHBondContact O-N 3.34Å
239P38.2Very low42.7Very low119 Ų119129.7 Ų129.777%0.77378%0.783SS**PPolyproline II helixtrans-67.1138.8171-15.431.1000110.2P237P237-P239 VanDerWaalsContact O-CD 3.31Å; P237-P239 WeakPolarHBondContact O-CD 3.42Å
240G38.2Very low42.8Very low68 Ų68126.5 Ų126.570%0.70178%0.776SS**PPolyproline II helixtrans-52.9137.6-172.500000114.8S242G240-S242 PolarHBondContact O-N 2.92Å
241A36.7Very low43Very low113 Ų113126.1 Ų126.193%0.93478%0.778SS**  trans-57.2111.7172.400000110.7
242S41.4Very low43.6Very low99 Ų99127.2 Ų127.269%0.69277%0.769SS**  trans-132.599.2160.637.60000108.2G240 V244G240-S242 PolarHBondContact O-N 2.92Å; S242-V244 PolarHBondContact O-N 3.37Å
243E34.8Very low44.5Very low186 Ų186126.1 Ų126.187%0.86977%0.772SS**  trans51.466.3142.6-55.7-177.9-175.400117.2F245E243-F245 PolarHBondContact O-N 3.31Å
244V39.3Very low45.1Very low144 Ų144131.3 Ų131.387%0.87378%0.775SS**  trans-84.9110.8161.6-176.60000108S242 A246S242-V244 PolarHBondContact O-N 3.37Å; V244-A246 PolarHBondContact O-N 3.13Å
245F43.3Very low45.8Very low182 Ų182129.9 Ų129.980%0.79877%0.768SS**  trans-33.7116175.8-81.3-104.4000113.1E243 N247E243-F245 PolarHBondContact O-N 3.31Å; F245-N247 PolarHBondContact O-N 3.26Å
246A40.4Very low46.5Very low100 Ų100127.8 Ų127.883%0.82677%0.769SS**  trans-70.674.8168.200000109.5V244 E248V244-A246 PolarHBondContact O-N 3.13Å; A246-E248 PolarHBondContact O-N 3.45Å
247N48.7Very low47.1Very low127 Ų127130.1 Ų130.168%0.67978%0.775SS**  trans-72.9119.3161.2-79.4-11.5000106.8F245 V249F245-N247 PolarHBondContact O-N 3.26Å; N247-V249 VanDerWaalsContact C-N 3.33Å; N247-V249 WeakPolarHBondContact O-CG2 3.41Å; N247-V249 PolarHBondContact O-N 3.16Å
248E46.1Very low48.1Very low183 Ų183129.8 Ų129.886%0.85577%0.771SS**  trans-5394175.7-63-178.6168.100109.8A246 N250A246-E248 PolarHBondContact O-N 3.45Å; E248-N250 VanDerWaalsContact C-N 3.29Å; E248-N250 PolarHBondContact O-N 2.73Å
249V50.5Low47.8Very low125 Ų125131 Ų13176%0.75877%0.772SS**  trans-7292.9175179.50000106.1N247 T251N247-V249 VanDerWaalsContact C-N 3.33Å; N247-V249 WeakPolarHBondContact O-CG2 3.41Å; N247-V249 PolarHBondContact O-N 3.16Å; V249-T251 PolarHBondContact O-N 3.4Å
250N51.7Low48.4Very low141 Ų141134.8 Ų134.875%0.75477%0.772SS**  trans-57.1106.1160.9-99.2-58.4000107E248 V252E248-N250 VanDerWaalsContact C-N 3.29Å; E248-N250 PolarHBondContact O-N 2.73Å; N250-V252 VanDerWaalsContact C-N 3.34Å; N250-V252 PolarHBondContact O-N 3.02Å
251T51.5Low49Very low130 Ų130139.5 Ų139.580%0.79878%0.776SS**  trans-63.196.6176.6-35.50000107.7V249 A253V249-T251 PolarHBondContact O-N 3.4Å; T251-A253 PolarHBondContact O-N 2.95Å
252V57.3Low49.7Very low104 Ų104143 Ų14363%0.6377%0.773SS**  trans-65.3107.8172.8178.70000106.7N250 Y254N250-V252 VanDerWaalsContact C-N 3.34Å; N250-V252 PolarHBondContact O-N 3.02Å; V252-Y254 WeakPolarHBondContact O-CD2 3.48Å; V252-Y254 PolarHBondContact O-N 3.38Å
253A56.4Low50.3Low93 Ų93143.3 Ų143.377%0.76977%0.771SS**  trans-67.8101.2172.400000108.1T251T251-A253 PolarHBondContact O-N 2.95Å
254Y53.6Low50.9Low193 Ų193141.4 Ų141.476%0.75777%0.767SS**PPolyproline II helixtrans-63.8137.6169.1-69.9-83.7000108.7V252V252-Y254 WeakPolarHBondContact O-CD2 3.48Å; V252-Y254 PolarHBondContact O-N 3.38Å
255P59Low51.4Low103 Ų103144.3 Ų144.367%0.66977%0.768SS**PPolyproline II helixtrans-55.7142.4168.925.4-32.6000108.5I257P255-I257 PolarHBondContact O-N 3.44Å
256P57.3Low51.7Low124 Ų124140.7 Ų140.781%0.80576%0.757SS**PPolyproline II helixtrans-56.1118.8179.922.2-31.4000108.8T258P256-T258 PolarHBondContact O-N 3.48Å; P256-T258 VanDerWaalsContact O-N 3.12Å
257I54.6Low52.3Low145 Ų145140.5 Ų140.574%0.74475%0.749SS**  trans-66.1112.5167.6-60.1169.3000104.5P255 L259P255-I257 PolarHBondContact O-N 3.44Å; I257-L259 PolarHBondContact O-N 3.24Å
258T61.9Low52.5Low115 Ų115139.7 Ų139.771%0.70674%0.741SS**  trans-6194.816538.30000107P256 Y260P256-T258 PolarHBondContact O-N 3.48Å; P256-T258 VanDerWaalsContact O-N 3.12Å; T258-Y260 PolarHBondContact O-N 2.84Å
259L42.9Very low52.7Low156 Ų156135.2 Ų135.282%0.81773%0.726SS**  trans-63.7107166.4-79.5176.9000105.9I257 E261I257-L259 PolarHBondContact O-N 3.24Å; L259-E261 PolarHBondContact O-N 2.93Å
260Y51.3Low52.6Low200 Ų200135.6 Ų135.678%0.78472%0.718SS**  trans-54115.9166.9-78.3-90.7000107.1T258 Q262T258-Y260 PolarHBondContact O-N 2.84Å; Y260-Q262 PolarHBondContact O-N 2.99Å; Y260-Q262 VanDerWaalsContact O-N 3.1Å
261E50.9Low52.6Low167 Ų167134.6 Ų134.678%0.7871%0.709SS**  trans-57118.4173.6-161.1172.9-165.400106.6L259 T263L259-E261 PolarHBondContact O-N 2.93Å; E261-T263 HydrophobicContact CG-CG2 4.38Å; E261-T263 PolarHBondContact O-N 3.29Å; E261-T263 PolarHBondContact O-OG1 2.93Å
262Q50.5Low52.5Low187 Ų187133.4 Ų133.487%0.87470%0.698SS**  trans-74.356.8-169.9-158174.412.300109.8Y260 D264Y260-Q262 PolarHBondContact O-N 2.99Å; Y260-Q262 VanDerWaalsContact O-N 3.1Å; Q262-D264 PolarHBondContact O-N 3.21Å
263T53.3Low52.1Low104 Ų104134.9 Ų134.964%0.63870%0.696SS**  trans-79112.3175.540.40000107.1E261E261-T263 HydrophobicContact CG-CG2 4.38Å; E261-T263 PolarHBondContact O-N 3.29Å; E261-T263 PolarHBondContact O-OG1 2.93Å
264D48.7Very low51.9Low147 Ų147131.5 Ų131.579%0.78667%0.67SS**  trans40.1100.5168.5-56.9-33.2000115.3Q262 N266Q262-D264 PolarHBondContact O-N 3.21Å; D264-N266 PolarHBondContact O-N 3.25Å
265F48.8Very low51.9Low205 Ų205126.4 Ų126.490%0.89966%0.659SS**  trans-55.979.3173.4-155.6-90.5000110.7
266N49.8Very low51.5Low105 Ų105127.9 Ų127.956%0.56166%0.661SS**  trans-92.3108.5178.9-167.48.9000107D264 H268 V269D264-N266 PolarHBondContact O-N 3.25Å; N266-H268 PolarHBondContact O-N 3.28Å; N266-V269 PolarHBondContact O-N 3.43Å
267S53.7Low50.9Low96 Ų96129.6 Ų129.667%0.67165%0.653SS**THydrogen-bonded Turntrans-56.5-15.5-174.955.10000114V269S267-V269 PolarHBondContact O-N 3.02Å
268H52.3Low50.7Low110 Ų110123.1 Ų123.151%0.50962%0.622SS.*THydrogen-bonded Turntrans-73.7-20.6-178.9-134.7-61.3000114.5N266 F270 E271N266-H268 PolarHBondContact O-N 3.28Å; H268-F270 VanDerWaalsContact C-N 3.27Å; H268-F270 PolarHBondContact O-N 3.16Å; H268-E271 IonicContact CE1-OE2 2.81Å; H268-E271 PolarHBondContact CE1-OE2 3.05Å; H268-E271 IonicContact ND1-OE2 2.87Å; H268-E271 PolarHBondContact O-N 3.37Å
269V51.4Low50Low89 Ų89125.5 Ų125.554%0.53963%0.625SS.*Hα-helixtrans-72.3-24.1-178-174.50000111.8N266 S267 E271 D272 F273N266-V269 PolarHBondContact O-N 3.43Å; S267-V269 PolarHBondContact O-N 3.02Å; V269-E271 VanDerWaalsContact C-N 3.35Å; V269-D272 PolarHBondContact O-N 3.44Å; V269-F273 PolarHBondContact O-N 3.39Å
270F46.9Very low50.2Low133 Ų133123.4 Ų123.458%0.58362%0.615SS**Hα-helixtrans-75.2-26178.6-168.2-107.8000112.8Y147 H268 G274Y147-F270 HydrophobicContact CD2-CE1 4.02Å; Y147-F270 HydrophobicContact CD2-CE2 4.47Å; Y147-F270 AromaticContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CD2-CZ 3.47Å; Y147-F270 VanDerWaalsContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CE2-CD1 4.41Å; Y147-F270 AromaticContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE2 4.33Å; Y147-F270 AromaticContact CE2-CZ 3.19Å; Y147-F270 HydrophobicContact CE2-CZ 3.19Å; H268-F270 VanDerWaalsContact C-N 3.27Å; H268-F270 PolarHBondContact O-N 3.16Å; F270-G274 PolarHBondContact O-N 2.94Å
271E52.1Low50Low121 Ų121121.1 Ų121.157%0.56562%0.616SS**Hα-helixtrans-66.7-40.4172.3-66.6-160.9155.400111H268 V269 G274 T275H268-E271 IonicContact CE1-OE2 2.81Å; H268-E271 PolarHBondContact CE1-OE2 3.05Å; H268-E271 IonicContact ND1-OE2 2.87Å; H268-E271 PolarHBondContact O-N 3.37Å; V269-E271 VanDerWaalsContact C-N 3.35Å; E271-G274 PolarHBondContact O-N 2.94Å; E271-T275 WeakPolarHBondContact O-CG2 3.3Å; E271-T275 PolarHBondContact O-N 3.49Å; E271-T275 VanDerWaalsContact O-N 3.16Å; E271-T275 PolarHBondContact O-OG1 2.87Å
272D50.7Low49.7Very low105 Ų105117.4 Ų117.456%0.56161%0.605SS**Hα-helixtrans-72.4-30.3-178.7-77.9-19.4000114V269 G274 T275V269-D272 PolarHBondContact O-N 3.44Å; D272-G274 VanDerWaalsContact C-N 3.31Å; D272-T275 WeakPolarHBondContact CA-OG1 3.4Å; D272-T275 PolarHBondContact O-OG1 3.44Å; D272-T275 VanDerWaalsContact O-OG1 3.13Å
273F47.5Very low49.2Very low134 Ų134119.7 Ų119.759%0.58861%0.606SS**Hα-helixtrans-70.9-29.7175.4-120.5-85.4000112.2V269V269-F273 PolarHBondContact O-N 3.39Å
274G52.3Low48.5Very low23 Ų23118.2 Ų118.224%0.23761%0.611CS.*Hα-helixtrans-81.1-29.9177.700000114.1F270 E271 D272F270-G274 PolarHBondContact O-N 2.94Å; E271-G274 PolarHBondContact O-N 2.94Å; D272-G274 VanDerWaalsContact C-N 3.31Å
275T53.9Low47.8Very low85 Ų85119.8 Ų119.852%0.52161%0.611SS.*Hα-helixtrans-75.3-37-176.845.60000112.8E271 D272E271-T275 WeakPolarHBondContact O-CG2 3.3Å; E271-T275 PolarHBondContact O-N 3.49Å; E271-T275 VanDerWaalsContact O-N 3.16Å; E271-T275 PolarHBondContact O-OG1 2.87Å; D272-T275 WeakPolarHBondContact CA-OG1 3.4Å; D272-T275 PolarHBondContact O-OG1 3.44Å; D272-T275 VanDerWaalsContact O-OG1 3.13Å
276N50.1Low47.1Very low134 Ų134116 Ų11672%0.71761%0.605SS**Hα-helixtrans-93.6-21.5-174.8-70.311.9000114
277Y45.8Very low46.4Very low160 Ų160115.9 Ų115.963%0.62761%0.612SS**THydrogen-bonded Turntrans-93.5102.7178.1-113.5-94.5000110.7E144E144-Y277 WeakPolarHBondContact OE1-CD1 3.27Å
278G50.1Low45.5Very low10 Ų10118.2 Ų118.210%0.10362%0.615CS.*THydrogen-bonded Turntrans117.117.5178.300000115.1K97 D280K97-G278 VanDerWaalsContact NZ-C 3.32Å; K97-G278 PolarHBondContact NZ-O 2.94Å; G278-D280 VanDerWaalsContact CA-OD1 3.29Å; G278-D280 WeakPolarHBondContact CA-OD1 3.45Å
279Q47.7Very low44.7Very low164 Ų164118.3 Ų118.377%0.76663%0.626SS**  trans-77.6-4.9165.9-151.5-165.832.900112D281Q279-D281 PolarHBondContact O-N 3.02Å
280D46.3Very low43.8Very low112 Ų112121.7 Ų121.760%0.59964%0.636SS**  trans-72.395.7170.262.2-48.8000108.7G278 T282G278-D280 VanDerWaalsContact CA-OD1 3.29Å; G278-D280 WeakPolarHBondContact CA-OD1 3.45Å; D280-T282 WeakPolarHBondContact CB-OG1 3.44Å; D280-T282 PolarHBondContact O-N 2.99Å; D280-T282 PolarHBondContact O-OG1 3.13Å; D280-T282 PolarHBondContact OD2-OG1 3.06Å
281D48.2Very low43.3Very low152 Ų152121.5 Ų121.581%0.81365%0.648SS**  trans-60.730.4168.7-76.4-44.2000112.9Q279 W283Q279-D281 PolarHBondContact O-N 3.02Å; D281-W283 PolarHBondContact O-N 2.9Å
282T43.7Very low42.6Very low89 Ų89126.7 Ų126.755%0.54666%0.662SS.*  trans-74.846175.8-3.60000111D280 G284D280-T282 WeakPolarHBondContact CB-OG1 3.44Å; D280-T282 PolarHBondContact O-N 2.99Å; D280-T282 PolarHBondContact O-OG1 3.13Å; D280-T282 PolarHBondContact OD2-OG1 3.06Å; T282-G284 PolarHBondContact O-N 2.93Å
283W39.9Very low41.8Very low236 Ų236125 Ų12589%0.89467%0.67SS**SBendtrans-73.1110.8166.6-11990.1000108.7D281 K285D281-W283 PolarHBondContact O-N 2.9Å; W283-K285 PolarHBondContact O-N 2.86Å
284G39.4Very low41.5Very low73 Ų73129.8 Ų129.875%0.75368%0.684SS**SBendtrans71.4-2.4164.500000117.8T282 V286T282-G284 PolarHBondContact O-N 2.93Å; G284-V286 PolarHBondContact O-N 3.14Å
285K32.4Very low40.9Very low179 Ų179132.8 Ų132.878%0.77872%0.715SS**  trans-89.491.9170.7-74.5-174.7178.1174.60110.1W283 S287W283-K285 PolarHBondContact O-N 2.86Å; K285-S287 PolarHBondContact O-N 3.13Å; K285-S287 VanDerWaalsContact O-N 3.07Å
286V35.6Very low40.4Very low126 Ų126140 Ų14076%0.76473%0.732SS**  trans-67.2101.5164.1-175.90000107G284 I288G284-V286 PolarHBondContact O-N 3.14Å; V286-I288 PolarHBondContact O-N 3.43Å; V286-I288 VanDerWaalsContact O-N 3.13Å
287S34.8Very low40Very low103 Ų103137 Ų13772%0.7273%0.733SS**  trans-67.4106.1160.141.20000106.6K285 P289K285-S287 PolarHBondContact O-N 3.13Å; K285-S287 VanDerWaalsContact O-N 3.07Å; S287-P289 WeakPolarHBondContact O-CD 3.31Å; S287-P289 VanDerWaalsContact O-N 3.16Å
288I35.5Very low39.8Very low144 Ų144136.4 Ų136.474%0.73874%0.736SS**  trans-63.3111.3173-61.3164.3000106V286 E290V286-I288 PolarHBondContact O-N 3.43Å; V286-I288 VanDerWaalsContact O-N 3.13Å; I288-E290 PolarHBondContact O-N 3.12Å
289P35.1Very low39.9Very low112 Ų112141.3 Ų141.373%0.72777%0.766SS**  trans-72.6118170.7-4.523.4000106S287S287-P289 WeakPolarHBondContact O-CD 3.31Å; S287-P289 VanDerWaalsContact O-N 3.16Å
290E30.9Very low39.8Very low160 Ų160143.4 Ų143.475%0.74877%0.768SS**  trans-53.4135.9170.1-83.4163.5144.400109.9I288 R292I288-E290 PolarHBondContact O-N 3.12Å; E290-R292 PolarHBondContact O-N 2.78Å
291P37.2Very low39.6Very low129 Ų129141.9 Ų141.984%0.83877%0.771SS**  trans-7486.3-169.129.7-34.8000110.4G293P291-G293 PolarHBondContact O-N 2.9Å
292R37Very low39.2Very low231 Ų231145.7 Ų145.787%0.87277%0.774SS**  trans-82.597.5158.9-75.3-167.5174.7102.3-0108.3E290 R294E290-R292 PolarHBondContact O-N 2.78Å; R292-R294 PolarHBondContact O-N 3.31Å
293G34.8Very low39.3Very low70 Ų70147.3 Ų147.372%0.72279%0.786SS**  trans-53.3129.5176.300000112.3P291P291-G293 PolarHBondContact O-N 2.9Å
294R40.7Very low39.5Very low234 Ų234139.1 Ų139.188%0.88378%0.775SS**  trans-145104.4139.8-72.6-152.2-173.4-124.45.8107.1R292 R296R292-R294 PolarHBondContact O-N 3.31Å; R294-R296 PolarHBondContact O-N 2.92Å
295G39.2Very low39.7Very low85 Ų85143 Ų14388%0.87678%0.776SS**  trans-59.5108.4166.600000108.5G297G295-G297 PolarHBondContact O-N 2.93Å
296R43.7Very low40.1Very low237 Ų237140.7 Ų140.789%0.89477%0.773SS**  trans-85.4101.3161.6-73.3-168.2-176.7-1344106.1R294 H298R294-R296 PolarHBondContact O-N 2.92Å; R296-H298 PolarHBondContact O-N 2.95Å
297G42.1Very low40.2Very low71 Ų71140.8 Ų140.873%0.73277%0.769SS**  trans-54.9130.717000000109.6G295G295-G297 PolarHBondContact O-N 2.93Å
298H42.2Very low40.7Very low148 Ų148142.5 Ų142.569%0.68577%0.77SS**  trans-67.5141172.2-106.2-83.6000109.4R296 Y300 A301R296-H298 PolarHBondContact O-N 2.95Å; H298-Y300 PolarHBondContact O-N 3.16Å; H298-A301 PolarHBondContact O-N 3.38Å; H298-A301 VanDerWaalsContact O-N 3.13Å
299P51.8Low40.9Very low113 Ų113142.9 Ų142.973%0.73477%0.768SS**THydrogen-bonded Turntrans-66.71.8-177.326.2-34.3000114.8
300Y45Very low41Very low208 Ų208144.8 Ų144.882%0.81677%0.772SS**THydrogen-bonded Turntrans-115.810.2177.9-58.2-72000113.7H298 R302H298-Y300 PolarHBondContact O-N 3.16Å; Y300-R302 PolarHBondContact O-N 2.86Å
301A43Very low41.3Very low80 Ų80143.2 Ų143.266%0.66177%0.769SS**  trans-68.1107.2173.600000109.4H298H298-A301 PolarHBondContact O-N 3.38Å; H298-A301 VanDerWaalsContact O-N 3.13Å
302R38.5Very low41.5Very low231 Ų231146.1 Ų146.187%0.87277%0.769SS**PPolyproline II helixtrans-57139.9172.9-94-173175.3-159.4-0.5109.8Y300 G304Y300-R302 PolarHBondContact O-N 2.86Å; R302-G304 PolarHBondContact O-N 2.97Å; R302-G304 VanDerWaalsContact O-N 3.12Å
303P47.2Very low41.5Very low124 Ų124142.5 Ų142.581%0.80580%0.804SS**PPolyproline II helixtrans-57.6118.5174.1-19.330.7000109.6I305P303-I305 PolarHBondContact O-N 3.24Å
304G43.9Very low41.9Very low63 Ų63146.2 Ų146.265%0.64981%0.808SS**PPolyproline II helixtrans-63.3129.1168.900000108.9R302 N306R302-G304 PolarHBondContact O-N 2.97Å; R302-G304 VanDerWaalsContact O-N 3.12Å; G304-N306 PolarHBondContact O-N 3.48Å; G304-N306 VanDerWaalsContact O-N 3.13Å
305I43Very low41.9Very low154 Ų154141.5 Ų141.579%0.7980%0.804SS**  trans-58.2111.5173.4-76.1161.2000108.2P303 N307P303-I305 PolarHBondContact O-N 3.24Å; I305-N307 PolarHBondContact O-N 3.46Å; I305-N307 VanDerWaalsContact O-N 3.14Å
306N41.2Very low42.1Very low132 Ų132144.7 Ų144.771%0.70680%0.8SS**  trans-70.2103.1171.9-80.1-3.3000108.7G304 D308G304-N306 PolarHBondContact O-N 3.48Å; G304-N306 VanDerWaalsContact O-N 3.13Å; N306-D308 PolarHBondContact O-N 3.17Å; N306-D308 VanDerWaalsContact O-N 3.16Å
307N38.4Very low42Very low127 Ų127139.2 Ų139.268%0.67979%0.794SS**  trans-80.277.1162.9-86.1-16.2000108.4I305 H309I305-N307 PolarHBondContact O-N 3.46Å; I305-N307 VanDerWaalsContact O-N 3.14Å; N307-H309 PolarHBondContact O-N 3.31Å
308D44.9Very low42Very low140 Ų140143.5 Ų143.575%0.74980%0.798SS**  trans-78.680.1170.1-67-33.3000108.6N306N306-D308 PolarHBondContact O-N 3.17Å; N306-D308 VanDerWaalsContact O-N 3.16Å
309H39.7Very low42Very low151 Ų151143.2 Ų143.270%0.69981%0.806SS**  trans-83.6144157.3-77.866.4000108.8N307N307-H309 PolarHBondContact O-N 3.31Å
310N37.8Very low41.3Very low152 Ų152145.4 Ų145.481%0.81381%0.811SS**  trans89.5106.4157.2-71.9-9.1000119.2
311N35.2Very low41Very low127 Ų127140.5 Ų140.568%0.67981%0.811SS**  98.6144.8109.1-162.524.7000117
312F41.9Very low40.8Very low191 Ų191145.6 Ų145.684%0.83882%0.823SS**  trans92.5102.5173.7-63.2-79.8000117.4
313G38Very low41Very low155 Ų155137.8 Ų137.8100%1.59882%0.819SS**  trans150.20163.400000112.8

Retrieved 313 of 313 residues in 74.7 ms (Link to these results)