A0A087XR10_POEFO Loading...

Growth arrest and DNA damage-inducible protein GADD45 gamma

Involved in the regulation of growth and apoptosis. Mediates activation of stress-responsive MTK1/MEKK4 MAPKKK.

AlphaFold DB , UniProt , Accession A0A087XR10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 161 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
1I46.9Very low48.9Very low217 Ų217122 Ų122100%1.11364%0.641SS**  099.20-61.5171.8000104.8
2T45.4Very low48.8Very low136 Ų136123.5 Ų123.583%0.83464%0.642SS**  trans-90.8102.4-179.1-48.60000105.8
3M43.7Very low49.4Very low130 Ų130122 Ų12264%0.6464%0.635SS**  trans-67.1130.4167.5-82.5173.1164.400107.7
4T57.6Low50.2Low70 Ų70119.9 Ų119.943%0.42963%0.631SS.*  trans-80.2148.3179.656.60000109.3E6 E7T4-E6 PolarHBondContact O-N 3.14Å; T4-E7 PolarHBondContact N-OE2 3.46Å; T4-E7 PolarHBondContact O-N 3.28Å
5L51.9Low50.9Low131 Ų131120.7 Ų120.769%0.68663%0.632SS**Hα-helixtrans-59.7-15.8-176.7-122.3144.6000113.6H9L5-H9 PolarHBondContact O-ND1 3.27Å
6E53.2Low52Low166 Ų166118.1 Ų118.178%0.77662%0.619SS**Hα-helixtrans-77.2-30.3175.5-68171.3104.500112.6T4 G10T4-E6 PolarHBondContact O-N 3.14Å; E6-G10 PolarHBondContact O-N 3.22Å
7E49.1Very low53.2Low104 Ų104115.1 Ų115.149%0.48661%0.607SS.*Hα-helixtrans-74.9-31179.8-69.4177.6124.500112.3T4 Q11T4-E7 PolarHBondContact N-OE2 3.46Å; T4-E7 PolarHBondContact O-N 3.28Å; E7-Q11 PolarHBondContact O-N 3.49Å
8I51Low54.5Low89 Ų89111.9 Ų111.946%0.45660%0.599SS.*Hα-helixtrans-72.4-42.9-178.2-46.4175.1000110.7G10 Q11 E12I8-G10 VanDerWaalsContact C-N 3.35Å; I8-G10 PolarHBondContact O-N 3.31Å; I8-Q11 PolarHBondContact O-N 3.26Å; I8-E12 PolarHBondContact O-N 2.87Å
9H46Very low56Low124 Ų124111.1 Ų111.157%0.57460%0.595SS**Hα-helixtrans-69.3-30.9176.6-73.7100.9000112.9L5 N13L5-H9 PolarHBondContact O-ND1 3.27Å; H9-N13 VanDerWaalsContact O-CB 3.27Å; H9-N13 WeakPolarHBondContact O-CB 3.33Å; H9-N13 PolarHBondContact O-N 3.08Å
10G47Very low57.5Low42 Ų42109.9 Ų109.943%0.43358%0.581SS.*Hα-helixtrans-65.5-38.4177.100000113.1E6 I8 T14E6-G10 PolarHBondContact O-N 3.22Å; I8-G10 VanDerWaalsContact C-N 3.35Å; I8-G10 PolarHBondContact O-N 3.31Å; G10-T14 PolarHBondContact O-N 2.95Å; G10-T14 PolarHBondContact O-OG1 3.13Å
11Q46Very low58.9Low133 Ų133106.6 Ų106.662%0.62157%0.566SS**Hα-helixtrans-78.9-37.4-178.8-69.7-177.2-73.500113.4E7 I8 N13 T14 M15E7-Q11 PolarHBondContact O-N 3.49Å; I8-Q11 PolarHBondContact O-N 3.26Å; Q11-N13 VanDerWaalsContact C-N 3.35Å; Q11-T14 WeakPolarHBondContact CA-OG1 3.34Å; Q11-T14 PolarHBondContact O-N 2.86Å; Q11-T14 PolarHBondContact O-OG1 2.94Å; Q11-M15 PolarHBondContact O-N 3.07Å
12E48Very low60.9Low140 Ų140102.2 Ų102.265%0.65454%0.54SS*.Hα-helixtrans-66.8-39.5177.4-150174.8142.700111I8 M15 D16I8-E12 PolarHBondContact O-N 2.87Å; E12-M15 PolarHBondContact O-N 3.29Å; E12-D16 PolarHBondContact O-N 2.84Å; E12-D16 VanDerWaalsContact O-N 3.16Å
13N56.3Low63.2Low104 Ų10498.9 Ų98.956%0.55652%0.523SS*.Hα-helixtrans-70.3-32.7178.2-161.134.4000113.1H9 Q11 T17H9-N13 VanDerWaalsContact O-CB 3.27Å; H9-N13 WeakPolarHBondContact O-CB 3.33Å; H9-N13 PolarHBondContact O-N 3.08Å; Q11-N13 VanDerWaalsContact C-N 3.35Å; N13-T17 WeakPolarHBondContact O-CB 3.23Å; N13-T17 PolarHBondContact O-N 2.91Å; N13-T17 VanDerWaalsContact O-N 3.09Å; N13-T17 PolarHBondContact O-OG1 3.12Å
14T60.5Low65.7Low93 Ų9393 Ų9357%0.57149%0.494SS*.Hα-helixtrans-72.4-36.4176.811.80000112.3G10 Q11 T17 A18G10-T14 PolarHBondContact O-N 2.95Å; G10-T14 PolarHBondContact O-OG1 3.13Å; Q11-T14 WeakPolarHBondContact CA-OG1 3.34Å; Q11-T14 PolarHBondContact O-N 2.86Å; Q11-T14 PolarHBondContact O-OG1 2.94Å; T14-T17 PolarHBondContact O-N 2.89Å; T14-A18 PolarHBondContact O-N 2.82Å; T14-A18 VanDerWaalsContact O-N 3.08Å
15M60.7Low67.5Low132 Ų13289.6 Ų89.665%0.6547%0.474SS*.Hα-helixtrans-70-42.2178.4-160.315671.700111.3Q11 E12 T17 A18 D19Q11-M15 PolarHBondContact O-N 3.07Å; E12-M15 PolarHBondContact O-N 3.29Å; M15-T17 VanDerWaalsContact C-N 3.35Å; M15-T17 PolarHBondContact O-N 3.16Å; M15-A18 PolarHBondContact O-N 3.02Å; M15-D19 PolarHBondContact O-N 2.95Å; M15-D19 VanDerWaalsContact O-N 3.09Å
16D68.1Low69.6Low78 Ų7885 Ų8542%0.41746%0.455SS..Hα-helixtrans-62-41.1173.7-169.564.1000111.9E12 A18 D19 R20E12-D16 PolarHBondContact O-N 2.84Å; E12-D16 VanDerWaalsContact O-N 3.16Å; D16-A18 PolarHBondContact O-N 3.4Å; D16-D19 PolarHBondContact O-N 2.82Å; D16-R20 WeakPolarHBondContact O-CB 3.27Å; D16-R20 WeakPolarHBondContact O-CD 3.49Å; D16-R20 WeakPolarHBondContact O-CG 3.44Å; D16-R20 PolarHBondContact O-N 3.49Å; D16-R20 VanDerWaalsContact OD2-CD 3.28Å; D16-R20 WeakPolarHBondContact OD2-CD 3.4Å; D16-R20 IonicContact OD2-CZ 2.84Å; D16-R20 IonicContact OD2-NH1 2.91Å; D16-R20 PolarHBondContact OD2-NH1 3.02Å; D16-R20 VanDerWaalsContact OD2-NH1 3.07Å
17T73.1Confident71.7Confident68 Ų6877.1 Ų77.142%0.41742%0.418SS..Hα-helixtrans-64-41.9177.8-560000111.9N13 T14 M15 R20 V21N13-T17 WeakPolarHBondContact O-CB 3.23Å; N13-T17 PolarHBondContact O-N 2.91Å; N13-T17 VanDerWaalsContact O-N 3.09Å; N13-T17 PolarHBondContact O-OG1 3.12Å; T14-T17 PolarHBondContact O-N 2.89Å; M15-T17 VanDerWaalsContact C-N 3.35Å; M15-T17 PolarHBondContact O-N 3.16Å; T17-R20 PolarHBondContact O-N 3.25Å; T17-V21 WeakPolarHBondContact O-CG2 3.43Å; T17-V21 PolarHBondContact O-N 2.63Å
18A77Confident74Confident57 Ų5772.2 Ų72.247%0.47140%0.395SS..Hα-helixtrans-66-44.9179.400000112.1T14 M15 D16 R20 V21 Q22T14-A18 PolarHBondContact O-N 2.82Å; T14-A18 VanDerWaalsContact O-N 3.08Å; M15-A18 PolarHBondContact O-N 3.02Å; D16-A18 PolarHBondContact O-N 3.4Å; A18-R20 VanDerWaalsContact C-N 3.26Å; A18-R20 PolarHBondContact O-N 2.95Å; A18-V21 PolarHBondContact O-N 3.09Å; A18-Q22 WeakPolarHBondContact O-CB 3.39Å; A18-Q22 PolarHBondContact O-N 2.94Å
19D83.5Confident76.2Confident96 Ų9670 Ų7051%0.51338%0.383SS..Hα-helixtrans-61.7-37177.1-73.3-23.1000111.3M15 D16 Q22 S23M15-D19 PolarHBondContact O-N 2.95Å; M15-D19 VanDerWaalsContact O-N 3.09Å; D16-D19 PolarHBondContact O-N 2.82Å; D19-Q22 PolarHBondContact O-N 2.85Å; D19-S23 WeakPolarHBondContact O-CB 3.49Å; D19-S23 PolarHBondContact O-N 3.36Å
20R84.9Confident78.5Confident87 Ų8769 Ų6933%0.32838%0.379SS..Hα-helixtrans-68.9-45.4177.6-72.3164.872.4166.60.5112.8D16 T17 A18 Q22 S23 A24 E145D16-R20 WeakPolarHBondContact O-CB 3.27Å; D16-R20 WeakPolarHBondContact O-CD 3.49Å; D16-R20 WeakPolarHBondContact O-CG 3.44Å; D16-R20 PolarHBondContact O-N 3.49Å; D16-R20 VanDerWaalsContact OD2-CD 3.28Å; D16-R20 WeakPolarHBondContact OD2-CD 3.4Å; D16-R20 IonicContact OD2-CZ 2.84Å; D16-R20 IonicContact OD2-NH1 2.91Å; D16-R20 PolarHBondContact OD2-NH1 3.02Å; D16-R20 VanDerWaalsContact OD2-NH1 3.07Å; T17-R20 PolarHBondContact O-N 3.25Å; A18-R20 VanDerWaalsContact C-N 3.26Å; A18-R20 PolarHBondContact O-N 2.95Å; R20-Q22 VanDerWaalsContact C-N 3.28Å; R20-Q22 PolarHBondContact O-N 3.45Å; R20-S23 PolarHBondContact O-N 3.45Å; R20-A24 WeakPolarHBondContact O-CB 3.07Å; R20-A24 PolarHBondContact O-N 3.36Å; R20-E145 IonicContact CZ-OE1 4Å; R20-E145 IonicContact CZ-OE2 3.7Å; R20-E145 IonicContact NE-OE2 2.99Å; R20-E145 IonicContact NH2-OE1 3.07Å; R20-E145 PolarHBondContact NH2-OE1 3.07Å; R20-E145 IonicContact NH2-OE2 3.87Å; R20-E145 PolarHBondContact NH2-OE2 3.23Å
21V87.3Confident80.9Confident41 Ų4167 Ų6725%0.24836%0.358CS..Hα-helixtrans-61.5-40.6175.7172.80000110.4T17 A18 A24 G25 F142T17-V21 WeakPolarHBondContact O-CG2 3.43Å; T17-V21 PolarHBondContact O-N 2.63Å; A18-V21 PolarHBondContact O-N 3.09Å; V21-A24 PolarHBondContact O-N 2.97Å; V21-G25 PolarHBondContact O-N 3.41Å; V21-F142 HydrophobicContact CG2-CE2 4.15Å; V21-F142 HydrophobicContact CG2-CZ 4.42Å
22Q89.6Confident83.2Confident125 Ų12560.8 Ų60.858%0.58433%0.329SS*.Hα-helixtrans-65.7-42.4176.1-172.3167.82000112.1A18 D19 R20 A24 G25 A26A18-Q22 WeakPolarHBondContact O-CB 3.39Å; A18-Q22 PolarHBondContact O-N 2.94Å; D19-Q22 PolarHBondContact O-N 2.85Å; R20-Q22 VanDerWaalsContact C-N 3.28Å; R20-Q22 PolarHBondContact O-N 3.45Å; Q22-A24 VanDerWaalsContact C-N 3.32Å; Q22-A24 PolarHBondContact O-N 3.04Å; Q22-G25 PolarHBondContact O-N 2.97Å; Q22-A26 PolarHBondContact O-N 3.04Å
23S93.4Very high85.4Confident67 Ų6757.1 Ų57.147%0.46931%0.313SS..Hα-helixtrans-62.7-37.8174.1-177.30000112.2D19 R20 A27D19-S23 WeakPolarHBondContact O-CB 3.49Å; D19-S23 PolarHBondContact O-N 3.36Å; R20-S23 PolarHBondContact O-N 3.45Å; S23-A27 WeakPolarHBondContact O-CB 3.12Å; S23-A27 PolarHBondContact O-N 3.42Å
24A95.9Very high87.2Confident5 Ų553.1 Ų53.14%0.04130%0.295CS..Hα-helixtrans-66.8-38.9175.200000111.3R20 V21 Q22 A27 L28 L139 F142 I156R20-A24 WeakPolarHBondContact O-CB 3.07Å; R20-A24 PolarHBondContact O-N 3.36Å; V21-A24 PolarHBondContact O-N 2.97Å; Q22-A24 VanDerWaalsContact C-N 3.32Å; Q22-A24 PolarHBondContact O-N 3.04Å; A24-A27 PolarHBondContact O-N 3.4Å; A24-L28 WeakPolarHBondContact O-CB 3.47Å; A24-L28 PolarHBondContact O-N 2.78Å; A24-L139 HydrophobicContact CB-CD2 4.37Å; A24-F142 HydrophobicContact CB-CB 4.37Å; A24-F142 HydrophobicContact CB-CD1 4.05Å; A24-F142 HydrophobicContact CB-CD2 3.75Å; A24-F142 HydrophobicContact CB-CE1 4.25Å; A24-F142 HydrophobicContact CB-CE2 3.97Å; A24-F142 HydrophobicContact CB-CG 3.79Å; A24-F142 HydrophobicContact CB-CZ 4.21Å; A24-I156 HydrophobicContact CB-CD1 3.94Å; A24-I156 HydrophobicContact CB-CG1 4.29Å
25G95.9Very high88.8Confident0 Ų048.7 Ų48.70%027%0.267CS..Hα-helixtrans-58.4-47.8172.700000113.2V21 Q22 L28 E29 I156 T157V21-G25 PolarHBondContact O-N 3.41Å; Q22-G25 PolarHBondContact O-N 2.97Å; G25-L28 PolarHBondContact O-N 3.37Å; G25-E29 PolarHBondContact O-N 3.31Å; G25-I156 VanDerWaalsContact CA-CG2 3.42Å; G25-T157 WeakPolarHBondContact CA-O 3.13Å
26A95.8Very high90.3Very high34 Ų3446.9 Ų46.928%0.28126%0.256SS..Hα-helixtrans-64-41.9176.300000112.1Q22 L28 E29 E30Q22-A26 PolarHBondContact O-N 3.04Å; A26-L28 VanDerWaalsContact C-N 3.34Å; A26-L28 PolarHBondContact O-N 3.36Å; A26-E29 PolarHBondContact O-N 2.84Å; A26-E30 WeakPolarHBondContact O-CG 3.49Å; A26-E30 PolarHBondContact O-N 2.95Å
27A97.1Very high91.4Very high1 Ų151.3 Ų51.31%0.00827%0.271CS..Hα-helixtrans-62.9-40.3175.300000111.9S23 A24 E30 L31 A135 K138 L139S23-A27 WeakPolarHBondContact O-CB 3.12Å; S23-A27 PolarHBondContact O-N 3.42Å; A24-A27 PolarHBondContact O-N 3.4Å; A27-E30 PolarHBondContact O-N 3.2Å; A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.28Å; A27-L31 PolarHBondContact O-N 2.74Å; A27-A135 HydrophobicContact CB-CB 4.17Å; A27-A135 WeakPolarHBondContact O-CB 3.48Å; A27-K138 HydrophobicContact CB-CB 4.22Å; A27-K138 HydrophobicContact CB-CD 4.21Å; A27-L139 HydrophobicContact CB-CD1 4.48Å; A27-L139 HydrophobicContact CB-CD2 4.36Å; A27-L139 HydrophobicContact CB-CG 4.07Å
28L97.3Very high92.2Very high0 Ų052.4 Ų52.40%027%0.272CS..Hα-helixtrans-62.2-45.2176.8-175.458.8000111.7A24 G25 A26 L31 L32 F61 V63 V95 V97 L139 I156 L158A24-L28 WeakPolarHBondContact O-CB 3.47Å; A24-L28 PolarHBondContact O-N 2.78Å; G25-L28 PolarHBondContact O-N 3.37Å; A26-L28 VanDerWaalsContact C-N 3.34Å; A26-L28 PolarHBondContact O-N 3.36Å; L28-L31 PolarHBondContact O-N 3.24Å; L28-L32 HydrophobicContact CD1-CD1 4.24Å; L28-L32 HydrophobicContact CD1-CG 4.2Å; L28-L32 HydrophobicContact CG-CD1 4.13Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.36Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-F61 HydrophobicContact CD1-CE1 4.01Å; L28-V63 HydrophobicContact CD1-CG2 3.84Å; L28-V95 HydrophobicContact CD2-CG2 4.34Å; L28-V97 HydrophobicContact CD2-CG2 3.57Å; L28-L139 HydrophobicContact CB-CD1 4.41Å; L28-L139 HydrophobicContact CB-CD2 4.14Å; L28-L139 HydrophobicContact CD1-CD1 4.18Å; L28-I156 HydrophobicContact CB-CG2 4.43Å; L28-I156 HydrophobicContact CD2-CB 4.29Å; L28-I156 HydrophobicContact CD2-CD1 4.34Å; L28-I156 HydrophobicContact CD2-CG2 3.92Å; L28-L158 HydrophobicContact CB-CD2 4.25Å; L28-L158 HydrophobicContact CD2-CD2 3.93Å; L28-L158 HydrophobicContact CG-CD2 4.1Å
29E96Very high92.9Very high43 Ų4356.7 Ų56.720%0.20129%0.287CS..Hα-helixtrans-60.6-47.2175.3-179.6169.5-130.100112.1G25 A26 L31 L32 I33 R102 L106 P159G25-E29 PolarHBondContact O-N 3.31Å; A26-E29 PolarHBondContact O-N 2.84Å; E29-L31 PolarHBondContact O-N 3.26Å; E29-L32 PolarHBondContact O-N 2.89Å; E29-I33 HydrophobicContact CG-CD1 3.86Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.35Å; E29-I33 PolarHBondContact O-N 3.35Å; E29-R102 VanDerWaalsContact CD-NH2 3.27Å; E29-R102 IonicContact OE1-CZ 2.88Å; E29-R102 IonicContact OE1-NH2 3.94Å; E29-R102 PolarHBondContact OE1-NH2 3.03Å; E29-R102 IonicContact OE2-NH2 3.3Å; E29-R102 PolarHBondContact OE2-NH2 3.41Å; E29-L106 HydrophobicContact CB-CD1 4.4Å; E29-L106 HydrophobicContact CG-CD1 4.09Å; E29-L106 HydrophobicContact CG-CD2 3.83Å; E29-P159 WeakPolarHBondContact OE2-CG 3.23Å
30E95.8Very high93.4Very high104 Ų10454 Ų5449%0.48627%0.269SS..Hα-helixtrans-57.4-47.2175.7-74.9176.5-179.700111.7A26 A27 I33 A34 A135A26-E30 WeakPolarHBondContact O-CG 3.49Å; A26-E30 PolarHBondContact O-N 2.95Å; A27-E30 PolarHBondContact O-N 3.2Å; E30-I33 PolarHBondContact O-N 3.31Å; E30-A34 WeakPolarHBondContact O-CB 3.36Å; E30-A34 PolarHBondContact O-N 3.18Å; E30-A135 HydrophobicContact CB-CB 4.19Å
31L96.5Very high93.8Very high0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-60.5-49.8-179.9-178.668.4000111.1A27 L28 E29 I33 A34 A35 F61 V123 W131 D133 A135 L136 L139A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.28Å; A27-L31 PolarHBondContact O-N 2.74Å; L28-L31 PolarHBondContact O-N 3.24Å; E29-L31 PolarHBondContact O-N 3.26Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-I33 PolarHBondContact O-N 2.84Å; L31-A34 PolarHBondContact O-N 3.49Å; L31-A35 VanDerWaalsContact O-CB 3.23Å; L31-A35 WeakPolarHBondContact O-CB 3.27Å; L31-A35 PolarHBondContact O-N 2.89Å; L31-F61 HydrophobicContact CD2-CB 4.43Å; L31-F61 HydrophobicContact CD2-CD1 4.29Å; L31-F61 HydrophobicContact CD2-CG 4.35Å; L31-V123 HydrophobicContact CD1-CG1 4.47Å; L31-V123 HydrophobicContact CD2-CG2 4.02Å; L31-V123 HydrophobicContact CG-CG2 4.29Å; L31-W131 HydrophobicContact CD1-CH2 3.53Å; L31-W131 HydrophobicContact CD1-CZ3 3.62Å; L31-W131 HydrophobicContact CG-CH2 4.47Å; L31-D133 HydrophobicContact CD1-CB 4.05Å; L31-A135 HydrophobicContact CB-CB 4.02Å; L31-L136 HydrophobicContact CD1-CB 3.87Å; L31-L136 HydrophobicContact CD2-CD1 4.07Å; L31-L139 HydrophobicContact CB-CD1 4.12Å; L31-L139 HydrophobicContact CD2-CD1 3.51Å; L31-L139 HydrophobicContact CG-CD1 4.42Å
32L95.4Very high94.1Very high1 Ų150.3 Ų50.31%0.00526%0.256CS..Hα-helixtrans-63.1-41.9-178.3-68.3176.2000111.2L28 E29 A34 K36 L41 L103 L106 I121 V123L28-L32 HydrophobicContact CD1-CD1 4.24Å; L28-L32 HydrophobicContact CD1-CG 4.2Å; L28-L32 HydrophobicContact CG-CD1 4.13Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.36Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.91Å; E29-L32 PolarHBondContact O-N 2.89Å; L32-A34 PolarHBondContact O-N 3.37Å; L32-K36 VanDerWaalsContact O-CB 3.23Å; L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 2.98Å; L32-L41 HydrophobicContact CD2-CD2 3.95Å; L32-L41 WeakPolarHBondContact O-CD1 3.44Å; L32-L103 HydrophobicContact CD1-CD1 3.45Å; L32-L103 VanDerWaalsContact CD1-CD1 3.45Å; L32-L106 HydrophobicContact CD1-CD1 4.41Å; L32-I121 HydrophobicContact CD2-CG2 3.97Å; L32-V123 HydrophobicContact CD2-CG2 4.33Å
33I94.3Very high94.4Very high64 Ų6445.5 Ų45.533%0.32824%0.235SC..Hα-helixtrans-63.4-43.3176.5-68.9168000111.1E29 E30 L31 K37 L106E29-I33 HydrophobicContact CG-CD1 3.86Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.35Å; E29-I33 PolarHBondContact O-N 3.35Å; E30-I33 PolarHBondContact O-N 3.31Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-I33 PolarHBondContact O-N 2.84Å; I33-K37 HydrophobicContact CG2-CD 4.39Å; I33-K37 WeakPolarHBondContact O-CG 3.41Å; I33-K37 PolarHBondContact O-N 3.38Å; I33-L106 HydrophobicContact CD1-CD2 4.15Å; I33-L106 HydrophobicContact CG1-CD2 4.2Å
34A93.9Very high94.4Very high20 Ų2042.4 Ų42.417%0.16521%0.213CC..Hα-helixtrans-69.7-43-178.800000111.8E30 L31 L32 K36 K37 Q38 W131E30-A34 WeakPolarHBondContact O-CB 3.36Å; E30-A34 PolarHBondContact O-N 3.18Å; L31-A34 PolarHBondContact O-N 3.49Å; L32-A34 PolarHBondContact O-N 3.37Å; A34-K36 PolarHBondContact O-N 2.78Å; A34-K37 PolarHBondContact O-N 2.85Å; A34-Q38 PolarHBondContact O-N 3.32Å; A34-W131 HydrophobicContact CB-CH2 3.92Å; A34-W131 HydrophobicContact CB-CZ2 3.61Å
35A93.8Very high94.3Very high0 Ų042.3 Ų42.30%021%0.212CC..Hα-helixtrans-62-43.2176.500000111.2L31 K37 Q38 D39 Y40 L41 V123 W131L31-A35 VanDerWaalsContact O-CB 3.23Å; L31-A35 WeakPolarHBondContact O-CB 3.27Å; L31-A35 PolarHBondContact O-N 2.89Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.38Å; A35-Q38 CarbonylContact O-C 3.53Å; A35-Q38 PolarHBondContact O-N 2.83Å; A35-Q38 VanDerWaalsContact O-N 3.14Å; A35-D39 PolarHBondContact O-N 3.37Å; A35-D39 VanDerWaalsContact O-N 3.08Å; A35-Y40 PolarHBondContact O-N 3.01Å; A35-L41 HydrophobicContact CB-CD1 4.45Å; A35-L41 HydrophobicContact CB-CD2 3.45Å; A35-L41 VanDerWaalsContact CB-CD2 3.45Å; A35-L41 HydrophobicContact CB-CG 3.64Å; A35-V123 HydrophobicContact CB-CG1 4.15Å; A35-W131 HydrophobicContact CB-CH2 3.63Å; A35-W131 HydrophobicContact CB-CZ3 3.61Å; A35-W131 VanDerWaalsContact N-CH2 3.31Å
36K92.1Very high94.1Very high93 Ų9349.5 Ų49.540%0.40424%0.24SC..Hα-helixtrans-57.8-44.6175.8-175.5176.3176.2174.90112L32 A34 Q38 D39 L41 L106 V107L32-K36 VanDerWaalsContact O-CB 3.23Å; L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 2.98Å; A34-K36 PolarHBondContact O-N 2.78Å; K36-Q38 PolarHBondContact O-N 3.48Å; K36-D39 PolarHBondContact O-N 3.26Å; K36-L41 HydrophobicContact CB-CD1 3.69Å; K36-L41 HydrophobicContact CB-CG 4.43Å; K36-L41 HydrophobicContact CG-CD1 4.44Å; K36-L106 WeakPolarHBondContact CD-O 3.4Å; K36-L106 PolarHBondContact NZ-O 2.86Å; K36-V107 WeakPolarHBondContact CE-O 3.43Å; K36-V107 PolarHBondContact NZ-O 3.11Å
37K91.3Very high94.1Very high172 Ų17252.6 Ų52.675%0.74825%0.249SC*.Hα-helixtrans-64.4-26.7179.5-73.6170.7-176.9171.40113.1I33 A34 A35I33-K37 HydrophobicContact CG2-CD 4.39Å; I33-K37 WeakPolarHBondContact O-CG 3.41Å; I33-K37 PolarHBondContact O-N 3.38Å; A34-K37 PolarHBondContact O-N 2.85Å; A35-K37 VanDerWaalsContact C-N 3.33Å; A35-K37 PolarHBondContact O-N 3.38Å
38Q89.5Confident94Very high91 Ų9152.5 Ų52.543%0.42525%0.249SC..THydrogen-bonded Turntrans-100.15-179.5-63.6-167.150.500113.5A34 A35 K36 Y40 W131A34-Q38 PolarHBondContact O-N 3.32Å; A35-Q38 CarbonylContact O-C 3.53Å; A35-Q38 PolarHBondContact O-N 2.83Å; A35-Q38 VanDerWaalsContact O-N 3.14Å; K36-Q38 PolarHBondContact O-N 3.48Å; Q38-Y40 VanDerWaalsContact C-N 3.29Å; Q38-Y40 HydrophobicContact CB-CD2 3.75Å; Q38-Y40 HydrophobicContact CB-CE2 3.87Å; Q38-Y40 HydrophobicContact CB-CG 4.14Å; Q38-Y40 WeakPolarHBondContact O-CD1 3.48Å; Q38-Y40 PolarHBondContact O-N 3.07Å; Q38-W131 VanDerWaalsContact NE2-NE1 3.12Å
39D91.1Very high93.9Very high146 Ų14653.8 Ų53.878%0.78126%0.259SS*.THydrogen-bonded Turntrans60.136.4-177.3-15644.3000113.4A35 K36A35-D39 PolarHBondContact O-N 3.37Å; A35-D39 VanDerWaalsContact O-N 3.08Å; K36-D39 PolarHBondContact O-N 3.26Å
40Y93.8Very high93.9Very high39 Ų3959 Ų5915%0.15328%0.281CS..  trans-102.811.2179.5-67.8-17.6000113.5A35 Q38 V123 T124 P126 W131A35-Y40 PolarHBondContact O-N 3.01Å; Q38-Y40 VanDerWaalsContact C-N 3.29Å; Q38-Y40 HydrophobicContact CB-CD2 3.75Å; Q38-Y40 HydrophobicContact CB-CE2 3.87Å; Q38-Y40 HydrophobicContact CB-CG 4.14Å; Q38-Y40 WeakPolarHBondContact O-CD1 3.48Å; Q38-Y40 PolarHBondContact O-N 3.07Å; Y40-V123 WeakPolarHBondContact O-CA 3.22Å; Y40-T124 WeakPolarHBondContact CB-O 3.39Å; Y40-T124 PolarHBondContact O-N 2.79Å; Y40-T124 PolarHBondContact O-OG1 3.03Å; Y40-P126 HydrophobicContact CD1-CG 4.37Å; Y40-P126 HydrophobicContact CE1-CG 3.74Å; Y40-W131 HydrophobicContact CD2-CB 4.06Å; Y40-W131 AromaticContact CD2-CD2 3.8Å; Y40-W131 HydrophobicContact CD2-CD2 3.8Å; Y40-W131 AromaticContact CD2-CE3 3.84Å; Y40-W131 HydrophobicContact CD2-CE3 3.84Å; Y40-W131 AromaticContact CD2-CG 3.91Å; Y40-W131 HydrophobicContact CD2-CG 3.91Å; Y40-W131 HydrophobicContact CE2-CB 3.76Å; Y40-W131 HydrophobicContact CE2-CD2 4.19Å; Y40-W131 AromaticContact CE2-CG 3.8Å; Y40-W131 HydrophobicContact CE2-CG 3.8Å
41L93.9Very high93.9Very high28 Ų2855.8 Ų55.815%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-100.9130.2176.5-70.6-173.5000111.8L32 A35 K36 V43 V107 I121 L122 V123L32-L41 HydrophobicContact CD2-CD2 3.95Å; L32-L41 WeakPolarHBondContact O-CD1 3.44Å; A35-L41 HydrophobicContact CB-CD1 4.45Å; A35-L41 HydrophobicContact CB-CD2 3.45Å; A35-L41 VanDerWaalsContact CB-CD2 3.45Å; A35-L41 HydrophobicContact CB-CG 3.64Å; K36-L41 HydrophobicContact CB-CD1 3.69Å; K36-L41 HydrophobicContact CB-CG 4.43Å; K36-L41 HydrophobicContact CG-CD1 4.44Å; L41-V43 HydrophobicContact CB-CG2 4.45Å; L41-V107 HydrophobicContact CD1-CG1 4.25Å; L41-I121 HydrophobicContact CD2-CG2 3.79Å; L41-L122 WeakPolarHBondContact CA-O 3.42Å; L41-V123 HydrophobicContact CD2-CG2 3.79Å
42T94.6Very high93.8Very high24 Ų2456 Ų5615%0.14727%0.27CS..EExtended strand (participates in β ladder)trans-104.7130.2159.5-52.10000107.8E47 V51 I121 L122T42-E47 HydrophobicContact CG2-CB 3.56Å; T42-V51 HydrophobicContact CG2-CG2 3.97Å; T42-I121 CarbonylContact O-C 3.05Å; T42-I121 VanDerWaalsContact O-CA 3.24Å; T42-I121 WeakPolarHBondContact O-CA 3.44Å; T42-I121 WeakPolarHBondContact O-CG2 3.22Å; T42-L122 PolarHBondContact N-O 3.2Å; T42-L122 PolarHBondContact O-N 2.96Å
43V94.5Very high93.7Very high24 Ų2462.4 Ų62.415%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-124.4132.3-178.6-1760000107.9L41 V107 K116 D117 I121L41-V43 HydrophobicContact CB-CG2 4.45Å; V43-V107 HydrophobicContact CG1-CG2 4.17Å; V43-V107 HydrophobicContact CG2-CB 4.05Å; V43-V107 HydrophobicContact CG2-CG1 4.08Å; V43-V107 HydrophobicContact CG2-CG2 4.46Å; V43-K116 HydrophobicContact CB-CD 4.14Å; V43-K116 HydrophobicContact CG1-CB 3.85Å; V43-K116 HydrophobicContact CG1-CD 3.99Å; V43-K116 HydrophobicContact CG2-CD 4.43Å; V43-D117 WeakPolarHBondContact CG1-O 3.24Å; V43-I121 HydrophobicContact CG1-CG1 4.26Å; V43-I121 HydrophobicContact CG2-CG1 4.34Å; V43-I121 HydrophobicContact CG2-CG2 4.48Å
44G93.5Very high93.8Very high1 Ų165 Ų651%0.0132%0.322CS..SBendtrans115.4143.5-176.600000112S48 D117 C120G44-S48 WeakPolarHBondContact O-CB 3.5Å; G44-S48 PolarHBondContact O-N 3.33Å; G44-S48 PolarHBondContact O-OG 3.06Å; G44-D117 WeakPolarHBondContact CA-O 3.42Å; G44-D117 PolarHBondContact N-O 3.33Å; G44-D117 VanDerWaalsContact N-O 3.11Å; G44-C120 PolarHBondContact N-O 3.01Å
45V94.1Very high93.7Very high3 Ų367.1 Ų67.12%0.01833%0.331CS..Hα-helixtrans-63.4-44.8180172.60000111.1A49 L76 H79 F80 I83 D117 H119 C120V45-A49 WeakPolarHBondContact O-CB 3.4Å; V45-A49 PolarHBondContact O-N 3.15Å; V45-L76 HydrophobicContact CG2-CD1 3.83Å; V45-H79 HydrophobicContact CG1-CB 3.49Å; V45-H79 VanDerWaalsContact CG1-CB 3.49Å; V45-F80 HydrophobicContact CG2-CE1 4.14Å; V45-I83 HydrophobicContact CG1-CD1 3.99Å; V45-D117 PolarHBondContact N-OD2 3.49Å; V45-H119 HydrophobicContact CG2-CB 3.7Å; V45-C120 HydrophobicContact CB-CB 4.49Å; V45-C120 HydrophobicContact CG2-CB 3.94Å
46Y92.9Very high93.6Very high151 Ų15168.8 Ų68.859%0.59234%0.342SS*.Hα-helixtrans-73-41.9-176.2-67.9-78.9000112.2S48 A49 K50 H79Y46-S48 VanDerWaalsContact C-N 3.34Å; Y46-A49 PolarHBondContact O-N 3.44Å; Y46-K50 WeakPolarHBondContact O-CB 3.3Å; Y46-K50 PolarHBondContact O-N 2.82Å; Y46-H79 AromaticContact CE1-CE1 3.93Å; Y46-H79 AromaticContact CE1-NE2 3.91Å; Y46-H79 AromaticContact CZ-NE2 3.95Å
47E94.1Very high93.6Very high99 Ų9971 Ų7146%0.46336%0.358SS..Hα-helixtrans-62.6-44.6177.3-70.764.3-147.500110.1T42 K50 V51T42-E47 HydrophobicContact CG2-CB 3.56Å; E47-K50 WeakPolarHBondContact O-CB 3.15Å; E47-K50 PolarHBondContact O-N 3.41Å; E47-V51 PolarHBondContact O-N 2.68Å
48S95.8Very high93.7Very high0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-61.2-48.5176.1-62.50000111.4G44 Y46 K50 V51 M52 C120 L122G44-S48 WeakPolarHBondContact O-CB 3.5Å; G44-S48 PolarHBondContact O-N 3.33Å; G44-S48 PolarHBondContact O-OG 3.06Å; Y46-S48 VanDerWaalsContact C-N 3.34Å; S48-K50 PolarHBondContact O-N 2.61Å; S48-V51 PolarHBondContact O-N 2.88Å; S48-M52 WeakPolarHBondContact O-CG 3.38Å; S48-M52 PolarHBondContact O-N 3.45Å; S48-C120 VanDerWaalsContact CB-SG 3.51Å; S48-C120 PolarHBondContact OG-SG 3.14Å; S48-L122 WeakPolarHBondContact O-CD1 3.5Å
49A95.3Very high93.9Very high26 Ų2659.7 Ų59.722%0.21531%0.31CS..Hα-helixtrans-60.5-34.3175.800000112.5V45 Y46 N53V45-A49 WeakPolarHBondContact O-CB 3.4Å; V45-A49 PolarHBondContact O-N 3.15Å; Y46-A49 PolarHBondContact O-N 3.44Å; A49-N53 WeakPolarHBondContact O-CB 3.41Å; A49-N53 PolarHBondContact O-N 3.16Å; A49-N53 VanDerWaalsContact O-N 3.07Å; A49-N53 PolarHBondContact O-ND2 3.32Å
50K95.5Very high94.1Very high153 Ų15353.9 Ų53.967%0.66528%0.282SS*.Hα-helixtrans-66.3-44.4176-175.2-178177-174.60111.7Y46 E47 S48 N53 V54Y46-K50 WeakPolarHBondContact O-CB 3.3Å; Y46-K50 PolarHBondContact O-N 2.82Å; E47-K50 WeakPolarHBondContact O-CB 3.15Å; E47-K50 PolarHBondContact O-N 3.41Å; S48-K50 PolarHBondContact O-N 2.61Å; K50-N53 PolarHBondContact O-N 3.25Å; K50-V54 WeakPolarHBondContact O-CG2 3.31Å; K50-V54 PolarHBondContact O-N 3.32Å
51V95.6Very high94.3Very high36 Ų3652 Ų5222%0.21828%0.275CS..Hα-helixtrans-61.2-49176.3171.30000110.4T42 E47 S48 N53 V54 D55 V59 L122 T124T42-V51 HydrophobicContact CG2-CG2 3.97Å; E47-V51 PolarHBondContact O-N 2.68Å; S48-V51 PolarHBondContact O-N 2.88Å; V51-N53 VanDerWaalsContact C-N 3.25Å; V51-N53 PolarHBondContact O-N 3.03Å; V51-V54 PolarHBondContact O-N 2.69Å; V51-D55 PolarHBondContact O-N 2.85Å; V51-V59 HydrophobicContact CG1-CG2 4.02Å; V51-L122 HydrophobicContact CB-CD1 4.24Å; V51-L122 HydrophobicContact CG1-CD1 4.35Å; V51-T124 HydrophobicContact CG1-CG2 4.08Å
52M95.3Very high94.5Very high6 Ų650.7 Ų50.73%0.0327%0.268CS..Hα-helixtrans-55.5-38.2176.7-73.4-176-174.200113.3S48 P56 V59 I83 F86 L122S48-M52 WeakPolarHBondContact O-CG 3.38Å; S48-M52 PolarHBondContact O-N 3.45Å; M52-P56 WeakPolarHBondContact O-CD 3.47Å; M52-V59 HydrophobicContact CG-CG2 4.45Å; M52-I83 HydrophobicContact CE-CG2 3.74Å; M52-I83 HydrophobicContact SD-CG2 4.32Å; M52-F86 HydrophobicContact CB-CD1 3.91Å; M52-F86 HydrophobicContact CB-CE1 3.49Å; M52-F86 VanDerWaalsContact CB-CE1 3.49Å; M52-F86 HydrophobicContact CB-CE2 4.21Å; M52-F86 HydrophobicContact CB-CG 4.42Å; M52-F86 HydrophobicContact CB-CZ 3.64Å; M52-F86 HydrophobicContact CE-CD1 4.39Å; M52-F86 HydrophobicContact CG-CD1 3.73Å; M52-F86 HydrophobicContact CG-CE1 3.57Å; M52-F86 HydrophobicContact CG-CZ 4.26Å; M52-F86 WeakPolarHBondContact O-CZ 3.43Å; M52-F86 HydrophobicContact SD-CB 4.2Å; M52-F86 HydrophobicContact SD-CD1 3.35Å; M52-F86 WeakPolarHBondContact SD-CD1 3.42Å; M52-F86 HydrophobicContact SD-CE1 3.89Å; M52-F86 HydrophobicContact SD-CG 3.87Å; M52-L122 HydrophobicContact CE-CD1 3.75Å; M52-L122 HydrophobicContact CE-CD2 3.37Å; M52-L122 HydrophobicContact CE-CG 4.17Å; M52-L122 HydrophobicContact CG-CD1 3.96Å
53N93.9Very high94.7Very high134 Ų13449.6 Ų49.672%0.71726%0.261SS*.Hα-helixtrans-73.4-24.9177.8-81.4-57.6000114A49 K50 V51A49-N53 WeakPolarHBondContact O-CB 3.41Å; A49-N53 PolarHBondContact O-N 3.16Å; A49-N53 VanDerWaalsContact O-N 3.07Å; A49-N53 PolarHBondContact O-ND2 3.32Å; K50-N53 PolarHBondContact O-N 3.25Å; V51-N53 VanDerWaalsContact C-N 3.25Å; V51-N53 PolarHBondContact O-N 3.03Å
54V94.8Very high94.8Very high118 Ų11848.5 Ų48.572%0.71526%0.255SS*.Hα-helixtrans-95.9-45.5-174.91730000111.5K50 V51K50-V54 WeakPolarHBondContact O-CG2 3.31Å; K50-V54 PolarHBondContact O-N 3.32Å; V51-V54 PolarHBondContact O-N 2.69Å
55D92.8Very high94.8Very high66 Ų6648.5 Ų48.535%0.35325%0.254SS..  trans-148.874.3-173.7-1693.5000111.4V51 D57 S58V51-D55 PolarHBondContact O-N 2.85Å; D55-D57 PolarHBondContact O-N 3Å; D55-S58 PolarHBondContact O-N 2.97Å; D55-S58 PolarHBondContact O-OG 3.2Å; D55-S58 PolarHBondContact OD1-N 3Å; D55-S58 WeakPolarHBondContact OD2-CB 3.3Å
56P92.4Very high94.4Very high35 Ų3550 Ų5023%0.22726%0.264CS..G310 helixtrans-56.3-37.9177.18.8-17.4000113.5M52 S58 V59 F86M52-P56 WeakPolarHBondContact O-CD 3.47Å; P56-S58 PolarHBondContact O-N 3.23Å; P56-S58 VanDerWaalsContact O-N 3.16Å; P56-V59 WeakPolarHBondContact O-CB 3.43Å; P56-V59 PolarHBondContact O-N 3.33Å; P56-F86 HydrophobicContact CB-CE1 4.02Å; P56-F86 HydrophobicContact CB-CZ 3.73Å; P56-F86 HydrophobicContact CG-CZ 4.33Å
57D91.3Very high94Very high139 Ų13944.7 Ų44.774%0.74325%0.246SC*.G310 helixtrans-66.1-19.3-174.7-63.7-27.1000112.1D55 V59D55-D57 PolarHBondContact O-N 3Å; D57-V59 VanDerWaalsContact C-N 3.33Å
58S92.9Very high93.3Very high12 Ų1248.1 Ų48.18%0.08426%0.261CS..G310 helixtrans-78-14.7173.974.60000113.7D55 P56 T124 S125D55-S58 PolarHBondContact O-N 2.97Å; D55-S58 PolarHBondContact O-OG 3.2Å; D55-S58 PolarHBondContact OD1-N 3Å; D55-S58 WeakPolarHBondContact OD2-CB 3.3Å; P56-S58 PolarHBondContact O-N 3.23Å; P56-S58 VanDerWaalsContact O-N 3.16Å; S58-T124 CarbonylContact O-C 3.58Å; S58-T124 WeakPolarHBondContact O-CA 3.24Å; S58-T124 WeakPolarHBondContact O-CB 3.21Å; S58-S125 PolarHBondContact O-N 2.86Å
59V95.3Very high92.5Very high13 Ų1355.5 Ų55.58%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-84.8120.4-174.3-174.60000109.8V51 M52 P56 D57 I92 L122V51-V59 HydrophobicContact CG1-CG2 4.02Å; M52-V59 HydrophobicContact CG-CG2 4.45Å; P56-V59 WeakPolarHBondContact O-CB 3.43Å; P56-V59 PolarHBondContact O-N 3.33Å; D57-V59 VanDerWaalsContact C-N 3.33Å; V59-I92 HydrophobicContact CB-CD1 3.81Å; V59-I92 HydrophobicContact CB-CG1 4.39Å; V59-I92 HydrophobicContact CG1-CD1 3.9Å; V59-I92 HydrophobicContact CG1-CG1 4.38Å; V59-I92 HydrophobicContact CG1-CG2 3.83Å; V59-L122 HydrophobicContact CG1-CB 4.38Å; V59-L122 HydrophobicContact CG1-CD1 4.31Å; V59-L122 HydrophobicContact CG1-CD2 4.08Å; V59-L122 HydrophobicContact CG1-CG 4.49Å; V59-L122 HydrophobicContact CG2-CD1 4.18Å
60A95Very high91.9Very high25 Ų2558.1 Ų58.121%0.20730%0.301CS..EExtended strand (participates in β ladder)trans-100.8-30.8-177.900000113.1V123 L136A60-V123 PolarHBondContact N-O 3Å; A60-L136 HydrophobicContact CB-CD2 3.99Å
61F97.2Very high91.1Very high0 Ų056.9 Ų56.90%030%0.297CS..EExtended strand (participates in β ladder)trans-157.4146.3-177.6-156.4-100.4000111.4L28 L31 V63 N93 V95 L122 V123 L136 L139L28-F61 HydrophobicContact CD1-CE1 4.01Å; L31-F61 HydrophobicContact CD2-CB 4.43Å; L31-F61 HydrophobicContact CD2-CD1 4.29Å; L31-F61 HydrophobicContact CD2-CG 4.35Å; F61-V63 HydrophobicContact CD1-CG2 4.12Å; F61-V63 HydrophobicContact CE1-CG2 4.15Å; F61-N93 HydrophobicContact CD2-CB 3.63Å; F61-N93 HydrophobicContact CE2-CB 3.59Å; F61-V95 HydrophobicContact CE1-CG1 4.12Å; F61-V95 HydrophobicContact CE1-CG2 3.65Å; F61-V95 HydrophobicContact CZ-CB 4.44Å; F61-V95 HydrophobicContact CZ-CG1 3.58Å; F61-V95 HydrophobicContact CZ-CG2 4Å; F61-L122 WeakPolarHBondContact O-CA 3.28Å; F61-V123 HydrophobicContact CB-CB 3.98Å; F61-V123 HydrophobicContact CB-CG2 4.24Å; F61-V123 PolarHBondContact N-O 3.46Å; F61-V123 PolarHBondContact O-N 3.38Å; F61-L136 HydrophobicContact CB-CD1 3.78Å; F61-L136 HydrophobicContact CD2-CD1 3.88Å; F61-L136 HydrophobicContact CG-CD1 4.1Å; F61-L139 HydrophobicContact CD2-CB 4.43Å; F61-L139 HydrophobicContact CE1-CD1 4.31Å; F61-L139 HydrophobicContact CE2-CB 3.62Å; F61-L139 HydrophobicContact CZ-CB 3.75Å; F61-L139 HydrophobicContact CZ-CD1 4.15Å; F61-L139 HydrophobicContact CZ-CD2 4.19Å; F61-L139 HydrophobicContact CZ-CG 4.26Å
62C98.1Very high90.5Very high0 Ų060.8 Ų60.80%033%0.325CS..EExtended strand (participates in β ladder)trans-124.9135.4178.7-178.40000111.4I92 N93 V94 V95 L122C62-I92 HydrophobicContact CB-CG2 4.18Å; C62-N93 PolarHBondContact N-O 3.07Å; C62-V94 HydrophobicContact CB-CB 4.08Å; C62-V94 HydrophobicContact CB-CG2 4Å; C62-V94 VanDerWaalsContact O-CA 3.3Å; C62-V94 WeakPolarHBondContact O-CA 3.17Å; C62-V95 PolarHBondContact O-N 3.19Å; C62-L122 HydrophobicContact CB-CD2 3.73Å; C62-L122 VanDerWaalsContact SG-CD2 3.59Å
63V97.9Very high90.3Very high0 Ų063.7 Ų63.70%034%0.341CS..EExtended strand (participates in β ladder)trans-118.3132.9172.8-173.60000108.3L28 F61 V95 V97 L103 C120 I121L28-V63 HydrophobicContact CD1-CG2 3.84Å; F61-V63 HydrophobicContact CD1-CG2 4.12Å; F61-V63 HydrophobicContact CE1-CG2 4.15Å; V63-V95 HydrophobicContact CG1-CG2 4.34Å; V63-V95 HydrophobicContact CG2-CG2 4.18Å; V63-V97 HydrophobicContact CG1-CB 4.29Å; V63-V97 HydrophobicContact CG1-CG2 3.7Å; V63-L103 HydrophobicContact CG1-CD2 4.1Å; V63-C120 WeakPolarHBondContact O-CA 3.43Å; V63-I121 HydrophobicContact CB-CB 4.22Å; V63-I121 PolarHBondContact N-O 3.31Å; V63-I121 PolarHBondContact O-N 3.4Å
64L96.6Very high90.2Very high2 Ų263.5 Ų63.51%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-117.3134.1171.7-64173.3000109.3F80 I83 Q84 V94 V95 R96 V97 H119 C120L64-F80 HydrophobicContact CB-CE2 4.39Å; L64-F80 HydrophobicContact CD2-CD1 4.03Å; L64-F80 HydrophobicContact CD2-CE1 4.09Å; L64-F80 HydrophobicContact CD2-CG 4.46Å; L64-I83 HydrophobicContact CD2-CG2 4Å; L64-Q84 HydrophobicContact CD1-CG 3.42Å; L64-Q84 VanDerWaalsContact CD1-CG 3.42Å; L64-V94 HydrophobicContact CD1-CG2 3.93Å; L64-V94 HydrophobicContact CG-CG2 4.18Å; L64-V95 PolarHBondContact N-O 3.03Å; L64-R96 CarbonylContact O-C 3.53Å; L64-R96 VanDerWaalsContact O-CA 3.28Å; L64-R96 WeakPolarHBondContact O-CA 3.15Å; L64-V97 PolarHBondContact O-N 3.29Å; L64-H119 WeakPolarHBondContact CA-O 3.32Å; L64-C120 HydrophobicContact CD2-CB 3.99Å
65A93.8Very high90.1Very high1 Ų160.3 Ų60.31%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-133.9129.8179.100000111.9F80 V97 I100 L103 H119A65-F80 VanDerWaalsContact O-CZ 3.32Å; A65-F80 WeakPolarHBondContact O-CZ 3.45Å; A65-V97 VanDerWaalsContact CA-O 3.22Å; A65-V97 WeakPolarHBondContact CA-O 3.24Å; A65-V97 HydrophobicContact CB-CB 4.42Å; A65-V97 WeakPolarHBondContact CB-O 3.39Å; A65-I100 HydrophobicContact CB-CG1 4.36Å; A65-L103 HydrophobicContact CB-CD2 3.49Å; A65-L103 VanDerWaalsContact CB-CD2 3.49Å; A65-H119 PolarHBondContact N-O 3.17Å; A65-H119 VanDerWaalsContact O-CA 3.28Å; A65-H119 WeakPolarHBondContact O-CA 3.47Å; A65-H119 PolarHBondContact O-ND1 3.33Å
66T87Confident90Very high35 Ų3557.9 Ų57.922%0.21531%0.312CS..  trans-135.9143.9173.1-175.10000107.9F80T66-F80 HydrophobicContact CG2-CE2 4.25Å
67D83.1Confident90Very high39 Ų3959.4 Ų59.421%0.20932%0.315CS..  trans-100.5-179166.262.534.7000109.9E69 Y70 E71 I100D67-E69 VanDerWaalsContact C-N 3.28Å; D67-E69 PolarHBondContact O-N 3.19Å; D67-E69 VanDerWaalsContact OD1-CA 3.31Å; D67-E69 WeakPolarHBondContact OD1-CA 3.38Å; D67-E69 VanDerWaalsContact OD1-CB 3.25Å; D67-E69 WeakPolarHBondContact OD1-CB 3.42Å; D67-E69 PolarHBondContact OD1-N 3.26Å; D67-Y70 PolarHBondContact O-N 2.92Å; D67-Y70 WeakPolarHBondContact OD1-CD2 3.46Å; D67-Y70 PolarHBondContact OD1-N 3.03Å; D67-Y70 VanDerWaalsContact OD2-CD2 3.25Å; D67-Y70 WeakPolarHBondContact OD2-CD2 3.44Å; D67-Y70 WeakPolarHBondContact OD2-CE2 3.4Å; D67-E71 PolarHBondContact O-N 2.81Å; D67-I100 HydrophobicContact CB-CG2 4.02Å
68E80.1Confident90.1Very high170 Ų17057 Ų5779%0.79430%0.302SS*.SBendtrans-65.4-26.8176.5-63.4-176.4171.100113.2
69E79.3Confident90.2Very high155 Ų15558.8 Ų58.872%0.72431%0.309SS*.SBendtrans-69.2-37.3179.5-174.6174.9167.100111.1D67D67-E69 VanDerWaalsContact C-N 3.28Å; D67-E69 PolarHBondContact O-N 3.19Å; D67-E69 VanDerWaalsContact OD1-CA 3.31Å; D67-E69 WeakPolarHBondContact OD1-CA 3.38Å; D67-E69 VanDerWaalsContact OD1-CB 3.25Å; D67-E69 WeakPolarHBondContact OD1-CB 3.42Å; D67-E69 PolarHBondContact OD1-N 3.26Å
70Y81.3Confident90.2Very high81 Ų8158.6 Ų58.632%0.31831%0.307SS..G310 helixtrans-931.6-178.8-58.2-78.1000115D67 C72 D73 L76 Q77 H119D67-Y70 PolarHBondContact O-N 2.92Å; D67-Y70 WeakPolarHBondContact OD1-CD2 3.46Å; D67-Y70 PolarHBondContact OD1-N 3.03Å; D67-Y70 VanDerWaalsContact OD2-CD2 3.25Å; D67-Y70 WeakPolarHBondContact OD2-CD2 3.44Å; D67-Y70 WeakPolarHBondContact OD2-CE2 3.4Å; Y70-C72 PolarHBondContact O-N 3.38Å; Y70-D73 PolarHBondContact O-N 2.66Å; Y70-L76 HydrophobicContact CD1-CD2 4.43Å; Y70-L76 HydrophobicContact CG-CD2 4.14Å; Y70-Q77 PolarHBondContact O-NE2 3.49Å; Y70-H119 AromaticContact CD1-NE2 3.98Å; Y70-H119 AromaticContact CD2-CE1 3.24Å; Y70-H119 WeakPolarHBondContact CD2-CE1 3.28Å; Y70-H119 AromaticContact CD2-NE2 3.65Å; Y70-H119 AromaticContact CE1-NE2 3.92Å; Y70-H119 AromaticContact CE2-CE1 3.54Å; Y70-H119 AromaticContact CE2-NE2 3.64Å; Y70-H119 AromaticContact CG-CE1 3.67Å; Y70-H119 AromaticContact CG-NE2 3.86Å; Y70-H119 AromaticContact CZ-NE2 3.77Å
71E78.9Confident90.3Very high127 Ų12761.7 Ų61.759%0.59332%0.323SS*.G310 helixtrans-59.9-31.2174.9-74.1-169.3151.600112.6D67D67-E71 PolarHBondContact O-N 2.81Å
72C84.4Confident90.3Very high118 Ų11866.9 Ų66.980%0.79735%0.35SS*.G310 helixtrans-89.2-3.3178.7-68.80000113.7Y70 I74Y70-C72 PolarHBondContact O-N 3.38Å; C72-I74 PolarHBondContact O-N 3.44Å; C72-I74 VanDerWaalsContact O-N 3.1Å
73D90.5Very high90.2Very high68 Ų6867.2 Ų67.236%0.36435%0.352SS..  trans-78.595175.8-169.7-29.5000110.4Y70 A75 L76 Q77Y70-D73 PolarHBondContact O-N 2.66Å; D73-A75 PolarHBondContact O-N 3Å; D73-A75 WeakPolarHBondContact OD1-CA 3.18Å; D73-A75 WeakPolarHBondContact OD1-CB 3.37Å; D73-A75 PolarHBondContact OD1-N 3.42Å; D73-L76 HydrophobicContact CB-CB 3.92Å; D73-L76 PolarHBondContact O-N 3.32Å; D73-L76 PolarHBondContact OD1-N 2.92Å; D73-Q77 WeakPolarHBondContact O-CG 3.33Å; D73-Q77 PolarHBondContact O-N 3.31Å
74I92.2Very high90.1Very high129 Ų12968.4 Ų68.466%0.66236%0.358SS*.Hα-helixtrans-57-36.1179.1-60.9172.4000111.6C72 Q77 I78C72-I74 PolarHBondContact O-N 3.44Å; C72-I74 VanDerWaalsContact O-N 3.1Å; I74-Q77 PolarHBondContact O-N 3.02Å; I74-I78 HydrophobicContact CG2-CD1 3.84Å; I74-I78 HydrophobicContact CG2-CG1 4.37Å; I74-I78 WeakPolarHBondContact O-CB 3.45Å; I74-I78 WeakPolarHBondContact O-CD1 3.29Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.06Å
75A91.7Very high90.2Very high52 Ų5270.4 Ų70.443%0.4338%0.375SS..Hα-helixtrans-67.6-45.1-179.100000110.4D73 I78 H79D73-A75 PolarHBondContact O-N 3Å; D73-A75 WeakPolarHBondContact OD1-CA 3.18Å; D73-A75 WeakPolarHBondContact OD1-CB 3.37Å; D73-A75 PolarHBondContact OD1-N 3.42Å; A75-I78 PolarHBondContact O-N 2.89Å; A75-H79 PolarHBondContact O-CD2 2.95Å; A75-H79 PolarHBondContact O-N 2.93Å
76L91.1Very high90.3Very high15 Ų1572.8 Ų72.88%0.07939%0.385CS..Hα-helixtrans-61.8-44.9176.1-172.464.7000111.7V45 Y70 D73 I78 H79 F80 H119V45-L76 HydrophobicContact CG2-CD1 3.83Å; Y70-L76 HydrophobicContact CD1-CD2 4.43Å; Y70-L76 HydrophobicContact CG-CD2 4.14Å; D73-L76 HydrophobicContact CB-CB 3.92Å; D73-L76 PolarHBondContact O-N 3.32Å; D73-L76 PolarHBondContact OD1-N 2.92Å; L76-I78 VanDerWaalsContact C-N 3.29Å; L76-I78 PolarHBondContact O-N 2.84Å; L76-H79 WeakPolarHBondContact O-CB 3.4Å; L76-H79 PolarHBondContact O-N 3.33Å; L76-H79 VanDerWaalsContact O-N 3.08Å; L76-F80 HydrophobicContact CD1-CD1 4.14Å; L76-F80 HydrophobicContact CD1-CE1 3.62Å; L76-F80 HydrophobicContact CD1-CZ 4.14Å; L76-F80 HydrophobicContact CD2-CZ 4.24Å; L76-F80 HydrophobicContact CG-CD1 4.32Å; L76-F80 HydrophobicContact CG-CE1 3.96Å; L76-F80 HydrophobicContact CG-CZ 4.12Å; L76-F80 PolarHBondContact O-N 2.93Å; L76-H119 HydrophobicContact CD1-CB 4.01Å
77Q91.6Very high90.8Very high66 Ų6671.1 Ų71.131%0.30838%0.375SS..Hα-helixtrans-62.9-35.6178.2-62.8-52.8-4200112.5Y70 D73 I74 F80 T81Y70-Q77 PolarHBondContact O-NE2 3.49Å; D73-Q77 WeakPolarHBondContact O-CG 3.33Å; D73-Q77 PolarHBondContact O-N 3.31Å; I74-Q77 PolarHBondContact O-N 3.02Å; Q77-F80 PolarHBondContact O-N 2.91Å; Q77-T81 PolarHBondContact O-N 2.89Å; Q77-T81 PolarHBondContact O-OG1 3.33Å
78I95Very high91.4Very high90 Ų9073.5 Ų73.546%0.46238%0.383SS..Hα-helixtrans-62.9-47.7171.7-71.8165.9000110.1I74 A75 L76 F80 T81 L82I74-I78 HydrophobicContact CG2-CD1 3.84Å; I74-I78 HydrophobicContact CG2-CG1 4.37Å; I74-I78 WeakPolarHBondContact O-CB 3.45Å; I74-I78 WeakPolarHBondContact O-CD1 3.29Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.06Å; A75-I78 PolarHBondContact O-N 2.89Å; L76-I78 VanDerWaalsContact C-N 3.29Å; L76-I78 PolarHBondContact O-N 2.84Å; I78-F80 VanDerWaalsContact C-N 3.32Å; I78-F80 PolarHBondContact O-N 3.17Å; I78-T81 WeakPolarHBondContact O-CB 3.42Å; I78-T81 PolarHBondContact O-N 2.91Å; I78-L82 HydrophobicContact CG2-CD1 4.01Å; I78-L82 HydrophobicContact CG2-CG 4.41Å; I78-L82 WeakPolarHBondContact O-CG 3.48Å; I78-L82 PolarHBondContact O-N 2.84Å
79H95.2Very high92.2Very high48 Ų4872 Ų7222%0.22238%0.381CS..Hα-helixtrans-59.9-41.9178.3-78.6-66.4000112.5V45 Y46 A75 L76 T81 L82 I83V45-H79 HydrophobicContact CG1-CB 3.49Å; V45-H79 VanDerWaalsContact CG1-CB 3.49Å; Y46-H79 AromaticContact CE1-CE1 3.93Å; Y46-H79 AromaticContact CE1-NE2 3.91Å; Y46-H79 AromaticContact CZ-NE2 3.95Å; A75-H79 PolarHBondContact O-CD2 2.95Å; A75-H79 PolarHBondContact O-N 2.93Å; L76-H79 WeakPolarHBondContact O-CB 3.4Å; L76-H79 PolarHBondContact O-N 3.33Å; L76-H79 VanDerWaalsContact O-N 3.08Å; H79-T81 VanDerWaalsContact C-N 3.33Å; H79-T81 PolarHBondContact O-N 3.19Å; H79-L82 PolarHBondContact O-N 3.47Å; H79-I83 WeakPolarHBondContact O-CB 3.14Å; H79-I83 WeakPolarHBondContact O-CG1 3.4Å; H79-I83 PolarHBondContact O-N 3.25Å
80F94.9Very high92.9Very high10 Ų1067.9 Ų67.94%0.04436%0.364CS..Hα-helixtrans-62.1-42.5176.2-7913.9000112V45 L64 A65 T66 L76 Q77 I78 L82 I83 Q84 H119V45-F80 HydrophobicContact CG2-CE1 4.14Å; L64-F80 HydrophobicContact CB-CE2 4.39Å; L64-F80 HydrophobicContact CD2-CD1 4.03Å; L64-F80 HydrophobicContact CD2-CE1 4.09Å; L64-F80 HydrophobicContact CD2-CG 4.46Å; A65-F80 VanDerWaalsContact O-CZ 3.32Å; A65-F80 WeakPolarHBondContact O-CZ 3.45Å; T66-F80 HydrophobicContact CG2-CE2 4.25Å; L76-F80 HydrophobicContact CD1-CD1 4.14Å; L76-F80 HydrophobicContact CD1-CE1 3.62Å; L76-F80 HydrophobicContact CD1-CZ 4.14Å; L76-F80 HydrophobicContact CD2-CZ 4.24Å; L76-F80 HydrophobicContact CG-CD1 4.32Å; L76-F80 HydrophobicContact CG-CE1 3.96Å; L76-F80 HydrophobicContact CG-CZ 4.12Å; L76-F80 PolarHBondContact O-N 2.93Å; Q77-F80 PolarHBondContact O-N 2.91Å; I78-F80 VanDerWaalsContact C-N 3.32Å; I78-F80 PolarHBondContact O-N 3.17Å; F80-L82 VanDerWaalsContact C-N 3.33Å; F80-L82 PolarHBondContact O-N 3.31Å; F80-I83 PolarHBondContact O-N 2.89Å; F80-Q84 WeakPolarHBondContact O-CB 3.49Å; F80-Q84 VanDerWaalsContact O-CG 3.25Å; F80-Q84 WeakPolarHBondContact O-CG 3.3Å; F80-Q84 PolarHBondContact O-N 2.92Å; F80-H119 HydrophobicContact CE1-CB 3.93Å; F80-H119 WeakPolarHBondContact CE1-O 3.4Å; F80-H119 HydrophobicContact CZ-CB 3.87Å; F80-H119 VanDerWaalsContact CZ-O 3.29Å; F80-H119 WeakPolarHBondContact CZ-O 3.49Å
81T95.8Very high93.5Very high90 Ų9069.5 Ų69.555%0.55238%0.378SS*.Hα-helixtrans-60.8-44.2176.3-57.40000111.1Q77 I78 H79 A85Q77-T81 PolarHBondContact O-N 2.89Å; Q77-T81 PolarHBondContact O-OG1 3.33Å; I78-T81 WeakPolarHBondContact O-CB 3.42Å; I78-T81 PolarHBondContact O-N 2.91Å; H79-T81 VanDerWaalsContact C-N 3.33Å; H79-T81 PolarHBondContact O-N 3.19Å; T81-A85 WeakPolarHBondContact O-CB 3.33Å; T81-A85 PolarHBondContact O-N 3.46Å
82L97.1Very high94.4Very high108 Ų10864 Ų6457%0.56535%0.352SS*.Hα-helixtrans-65.5-44178.6-67.3173.2000112.1I78 H79 F80 A85 F86I78-L82 HydrophobicContact CG2-CD1 4.01Å; I78-L82 HydrophobicContact CG2-CG 4.41Å; I78-L82 WeakPolarHBondContact O-CG 3.48Å; I78-L82 PolarHBondContact O-N 2.84Å; H79-L82 PolarHBondContact O-N 3.47Å; F80-L82 VanDerWaalsContact C-N 3.33Å; F80-L82 PolarHBondContact O-N 3.31Å; L82-A85 PolarHBondContact O-N 3.48Å; L82-F86 WeakPolarHBondContact O-CB 3.5Å; L82-F86 PolarHBondContact O-N 2.99Å
83I96.9Very high95Very high7 Ų759.3 Ų59.34%0.03632%0.32CS..Hα-helixtrans-65.7-44.7178.7-71.1167.9000110.7V45 M52 L64 H79 F80 A85 F86 C87 C120V45-I83 HydrophobicContact CG1-CD1 3.99Å; M52-I83 HydrophobicContact CE-CG2 3.74Å; M52-I83 HydrophobicContact SD-CG2 4.32Å; L64-I83 HydrophobicContact CD2-CG2 4Å; H79-I83 WeakPolarHBondContact O-CB 3.14Å; H79-I83 WeakPolarHBondContact O-CG1 3.4Å; H79-I83 PolarHBondContact O-N 3.25Å; F80-I83 PolarHBondContact O-N 2.89Å; I83-A85 PolarHBondContact O-N 3Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 3.36Å; I83-C87 PolarHBondContact O-N 3.44Å; I83-C87 PolarHBondContact O-SG 3.05Å; I83-C87 VanDerWaalsContact O-SG 3.34Å; I83-C120 HydrophobicContact CD1-CB 4.38Å
84Q96.6Very high95.3Very high25 Ų2556.3 Ų56.312%0.11730%0.303CS..Hα-helixtrans-59.5-47.4176.4-74.5174.91.200111.3L64 F80 F86 C87 F88 R96 V153L64-Q84 HydrophobicContact CD1-CG 3.42Å; L64-Q84 VanDerWaalsContact CD1-CG 3.42Å; F80-Q84 WeakPolarHBondContact O-CB 3.49Å; F80-Q84 VanDerWaalsContact O-CG 3.25Å; F80-Q84 WeakPolarHBondContact O-CG 3.3Å; F80-Q84 PolarHBondContact O-N 2.92Å; Q84-F86 VanDerWaalsContact C-N 3.29Å; Q84-F86 PolarHBondContact O-N 3.25Å; Q84-C87 PolarHBondContact O-N 3.39Å; Q84-F88 HydrophobicContact CB-CD2 4.48Å; Q84-F88 HydrophobicContact CB-CE2 4.05Å; Q84-F88 WeakPolarHBondContact O-CD2 3.28Å; Q84-F88 VanDerWaalsContact O-CG 3.31Å; Q84-F88 WeakPolarHBondContact O-CG 3.21Å; Q84-F88 PolarHBondContact O-N 3.5Å; Q84-R96 VanDerWaalsContact NE2-NH2 3.14Å; Q84-V153 HydrophobicContact CG-CG2 4.37Å
85A96.9Very high95.6Very high45 Ų4550.1 Ų50.137%0.37227%0.272SS..Hα-helixtrans-57.2-44.6176.500000111.6T81 L82 I83 F88 D89T81-A85 WeakPolarHBondContact O-CB 3.33Å; T81-A85 PolarHBondContact O-N 3.46Å; L82-A85 PolarHBondContact O-N 3.48Å; I83-A85 PolarHBondContact O-N 3Å; A85-F88 PolarHBondContact O-N 3.09Å; A85-D89 PolarHBondContact O-N 3.34Å
86F97.1Very high95.8Very high51 Ų5153 Ų5322%0.22427%0.272CS..Hα-helixtrans-60.7-46.8175.9-171.5-85.3000112.5M52 P56 L82 I83 Q84 F88 D89 N90 I92M52-F86 HydrophobicContact CB-CD1 3.91Å; M52-F86 HydrophobicContact CB-CE1 3.49Å; M52-F86 VanDerWaalsContact CB-CE1 3.49Å; M52-F86 HydrophobicContact CB-CE2 4.21Å; M52-F86 HydrophobicContact CB-CG 4.42Å; M52-F86 HydrophobicContact CB-CZ 3.64Å; M52-F86 HydrophobicContact CE-CD1 4.39Å; M52-F86 HydrophobicContact CG-CD1 3.73Å; M52-F86 HydrophobicContact CG-CE1 3.57Å; M52-F86 HydrophobicContact CG-CZ 4.26Å; M52-F86 WeakPolarHBondContact O-CZ 3.43Å; M52-F86 HydrophobicContact SD-CB 4.2Å; M52-F86 HydrophobicContact SD-CD1 3.35Å; M52-F86 WeakPolarHBondContact SD-CD1 3.42Å; M52-F86 HydrophobicContact SD-CE1 3.89Å; M52-F86 HydrophobicContact SD-CG 3.87Å; P56-F86 HydrophobicContact CB-CE1 4.02Å; P56-F86 HydrophobicContact CB-CZ 3.73Å; P56-F86 HydrophobicContact CG-CZ 4.33Å; L82-F86 WeakPolarHBondContact O-CB 3.5Å; L82-F86 PolarHBondContact O-N 2.99Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 3.36Å; Q84-F86 VanDerWaalsContact C-N 3.29Å; Q84-F86 PolarHBondContact O-N 3.25Å; F86-F88 VanDerWaalsContact C-N 3.29Å; F86-F88 PolarHBondContact O-N 3.37Å; F86-D89 PolarHBondContact O-N 3.07Å; F86-N90 WeakPolarHBondContact CE1-ND2 3.39Å; F86-N90 PolarHBondContact O-N 3.24Å; F86-N90 VanDerWaalsContact O-N 3.17Å; F86-N90 PolarHBondContact O-ND2 2.88Å; F86-I92 HydrophobicContact CD1-CD1 4.26Å; F86-I92 HydrophobicContact CE1-CD1 4.11Å
87C97.4Very high95.9Very high0 Ų052.3 Ų52.30%027%0.268CS..Hα-helixtrans-59.4-42.3177.9-71.10000111.4I83 Q84 N90 D91 I92 V94I83-C87 PolarHBondContact O-N 3.44Å; I83-C87 PolarHBondContact O-SG 3.05Å; I83-C87 VanDerWaalsContact O-SG 3.34Å; Q84-C87 PolarHBondContact O-N 3.39Å; C87-N90 CarbonylContact O-C 3.51Å; C87-N90 PolarHBondContact O-N 2.82Å; C87-D91 PolarHBondContact O-N 3.36Å; C87-I92 HydrophobicContact CB-CB 3.98Å; C87-I92 HydrophobicContact CB-CG2 4.37Å; C87-I92 PolarHBondContact O-N 3.47Å; C87-V94 HydrophobicContact CB-CB 4.14Å; C87-V94 HydrophobicContact CB-CG1 4.12Å
88F95.8Very high95.6Very high88 Ų8854.4 Ų54.439%0.38628%0.281SS..Hα-helixtrans-64.9-44.1177.7-66-46.5000113.1Q84 A85 F86 N90 D91 V94 W152 V153Q84-F88 HydrophobicContact CB-CD2 4.48Å; Q84-F88 HydrophobicContact CB-CE2 4.05Å; Q84-F88 WeakPolarHBondContact O-CD2 3.28Å; Q84-F88 VanDerWaalsContact O-CG 3.31Å; Q84-F88 WeakPolarHBondContact O-CG 3.21Å; Q84-F88 PolarHBondContact O-N 3.5Å; A85-F88 PolarHBondContact O-N 3.09Å; F86-F88 VanDerWaalsContact C-N 3.29Å; F86-F88 PolarHBondContact O-N 3.37Å; F88-N90 PolarHBondContact O-N 3.41Å; F88-D91 PolarHBondContact O-N 3.34Å; F88-V94 HydrophobicContact CE1-CG1 4.14Å; F88-V94 HydrophobicContact CZ-CG1 4.43Å; F88-W152 HydrophobicContact CE1-CB 4.09Å; F88-W152 WeakPolarHBondContact CE1-O 3.44Å; F88-W152 HydrophobicContact CZ-CB 3.87Å; F88-V153 HydrophobicContact CE1-CG2 4.34Å; F88-V153 HydrophobicContact CE2-CG2 4.25Å; F88-V153 HydrophobicContact CZ-CG2 3.49Å; F88-V153 VanDerWaalsContact CZ-CG2 3.49Å
89D95.6Very high95.3Very high140 Ų14053.4 Ų53.475%0.74928%0.277SS*.Hα-helixtrans-65.5-24.7-179.5-73.2-18.4000112.5A85 F86A85-D89 PolarHBondContact O-N 3.34Å; F86-D89 PolarHBondContact O-N 3.07Å
90N95.1Very high95Very high68 Ų6852 Ų5236%0.36427%0.271SS..THydrogen-bonded Turntrans-108.210.4-178.5-63.9-85.5000113.9F86 C87 F88 I92F86-N90 WeakPolarHBondContact CE1-ND2 3.39Å; F86-N90 PolarHBondContact O-N 3.24Å; F86-N90 VanDerWaalsContact O-N 3.17Å; F86-N90 PolarHBondContact O-ND2 2.88Å; C87-N90 CarbonylContact O-C 3.51Å; C87-N90 PolarHBondContact O-N 2.82Å; F88-N90 PolarHBondContact O-N 3.41Å; N90-I92 HydrophobicContact CB-CD1 3.9Å; N90-I92 HydrophobicContact CB-CG1 4.09Å; N90-I92 PolarHBondContact O-N 2.84Å
91D94.7Very high94.6Very high114 Ų11457.4 Ų57.461%0.6130%0.3SS*.THydrogen-bonded Turntrans5236.7-176.4-163.837000114.1C87 F88 R147C87-D91 PolarHBondContact O-N 3.36Å; F88-D91 PolarHBondContact O-N 3.34Å; D91-R147 IonicContact OD1-CZ 2.65Å; D91-R147 IonicContact OD1-NH1 3.55Å; D91-R147 PolarHBondContact OD1-NH1 3.24Å
92I96.3Very high94.3Very high12 Ų1254.2 Ų54.26%0.06228%0.278CS..  trans-85.5124172.9-60.6163.1000108.1V59 C62 F86 C87 N90 V94V59-I92 HydrophobicContact CB-CD1 3.81Å; V59-I92 HydrophobicContact CB-CG1 4.39Å; V59-I92 HydrophobicContact CG1-CD1 3.9Å; V59-I92 HydrophobicContact CG1-CG1 4.38Å; V59-I92 HydrophobicContact CG1-CG2 3.83Å; C62-I92 HydrophobicContact CB-CG2 4.18Å; F86-I92 HydrophobicContact CD1-CD1 4.26Å; F86-I92 HydrophobicContact CE1-CD1 4.11Å; C87-I92 HydrophobicContact CB-CB 3.98Å; C87-I92 HydrophobicContact CB-CG2 4.37Å; C87-I92 PolarHBondContact O-N 3.47Å; N90-I92 HydrophobicContact CB-CD1 3.9Å; N90-I92 HydrophobicContact CB-CG1 4.09Å; N90-I92 PolarHBondContact O-N 2.84Å; I92-V94 PolarHBondContact O-N 2.88Å
93N97.3Very high94.1Very high20 Ų2049 Ų4911%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-64.2128.1173.7-72.5-46.8000110.4F61 C62 S140 C143 R147F61-N93 HydrophobicContact CD2-CB 3.63Å; F61-N93 HydrophobicContact CE2-CB 3.59Å; C62-N93 PolarHBondContact N-O 3.07Å; N93-S140 WeakPolarHBondContact ND2-CB 3.24Å; N93-S140 PolarHBondContact ND2-OG 2.97Å; N93-C143 HydrophobicContact CB-CB 4.18Å; N93-C143 WeakPolarHBondContact OD1-CB 3.25Å; N93-R147 PolarHBondContact OD1-NH2 3.48Å
94V97.7Very high93.7Very high4 Ų449.9 Ų49.92%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-129136.6-178.7590000111.2C62 L64 C87 F88 I92 V153C62-V94 HydrophobicContact CB-CB 4.08Å; C62-V94 HydrophobicContact CB-CG2 4Å; C62-V94 VanDerWaalsContact O-CA 3.3Å; C62-V94 WeakPolarHBondContact O-CA 3.17Å; L64-V94 HydrophobicContact CD1-CG2 3.93Å; L64-V94 HydrophobicContact CG-CG2 4.18Å; C87-V94 HydrophobicContact CB-CB 4.14Å; C87-V94 HydrophobicContact CB-CG1 4.12Å; F88-V94 HydrophobicContact CE1-CG1 4.14Å; F88-V94 HydrophobicContact CZ-CG1 4.43Å; I92-V94 PolarHBondContact O-N 2.88Å; V94-V153 HydrophobicContact CG1-CG1 4.22Å; V94-V153 HydrophobicContact CG1-CG2 4.3Å; V94-V153 HydrophobicContact CG2-CG1 4.16Å
95V97.6Very high93.4Very high0 Ų054.3 Ų54.30%028%0.284CS..EExtended strand (participates in β ladder)trans-130.2157.2178.4-57.70000111.5L28 F61 C62 V63 L64 P154 I156L28-V95 HydrophobicContact CD2-CG2 4.34Å; F61-V95 HydrophobicContact CE1-CG1 4.12Å; F61-V95 HydrophobicContact CE1-CG2 3.65Å; F61-V95 HydrophobicContact CZ-CB 4.44Å; F61-V95 HydrophobicContact CZ-CG1 3.58Å; F61-V95 HydrophobicContact CZ-CG2 4Å; C62-V95 PolarHBondContact O-N 3.19Å; V63-V95 HydrophobicContact CG1-CG2 4.34Å; V63-V95 HydrophobicContact CG2-CG2 4.18Å; L64-V95 PolarHBondContact N-O 3.03Å; V95-P154 WeakPolarHBondContact CA-O 3.33Å; V95-P154 WeakPolarHBondContact CB-O 3.27Å; V95-P154 HydrophobicContact CG1-CG 4.21Å; V95-I156 HydrophobicContact CB-CD1 4.05Å; V95-I156 HydrophobicContact CB-CG1 4.38Å; V95-I156 HydrophobicContact CG1-CD1 3.84Å; V95-I156 HydrophobicContact CG1-CG1 4.47Å; V95-I156 HydrophobicContact CG2-CD1 4.15Å
96R96.1Very high93Very high112 Ų11253.3 Ų53.342%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-102.3140.9171.5-75.2167.3-161.2-150.95.5110.8L64 Q84 V153 P154 A155 I156L64-R96 CarbonylContact O-C 3.53Å; L64-R96 VanDerWaalsContact O-CA 3.28Å; L64-R96 WeakPolarHBondContact O-CA 3.15Å; Q84-R96 VanDerWaalsContact NE2-NH2 3.14Å; R96-V153 HydrophobicContact CG-CG1 3.68Å; R96-P154 PolarHBondContact N-O 2.96Å; R96-A155 CarbonylContact O-C 3.38Å; R96-A155 WeakPolarHBondContact O-CA 3.43Å; R96-I156 PolarHBondContact O-N 3.34Å
97V94.3Very high92.6Very high1 Ų151.1 Ų51.11%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-126.5131.5171.8175.60000108.3L28 V63 L64 A65 L158L28-V97 HydrophobicContact CD2-CG2 3.57Å; V63-V97 HydrophobicContact CG1-CB 4.29Å; V63-V97 HydrophobicContact CG1-CG2 3.7Å; L64-V97 PolarHBondContact O-N 3.29Å; A65-V97 VanDerWaalsContact CA-O 3.22Å; A65-V97 WeakPolarHBondContact CA-O 3.24Å; A65-V97 HydrophobicContact CB-CB 4.42Å; A65-V97 WeakPolarHBondContact CB-O 3.39Å; V97-L158 HydrophobicContact CG1-CD1 3.99Å; V97-L158 HydrophobicContact CG1-CG 4.13Å
98N85.5Confident91.9Very high110 Ų11052 Ų5259%0.58827%0.272SS*.SBendtrans-91.7-17.1-176.8-60.8-20000113I100N98-I100 PolarHBondContact O-N 2.93Å
99D88.1Confident90.6Very high68 Ų6850.9 Ų50.936%0.36428%0.279SS..  trans-98.984.2-177.7-172.2-12.3000110.1R102 L103D99-R102 HydrophobicContact CB-CB 4.26Å; D99-R102 WeakPolarHBondContact OD1-CB 3.21Å; D99-R102 PolarHBondContact OD1-N 3.16Å; D99-R102 VanDerWaalsContact OD2-CB 3.29Å; D99-R102 WeakPolarHBondContact OD2-CB 3.11Å; D99-L103 WeakPolarHBondContact O-CB 3.42Å; D99-L103 PolarHBondContact O-N 2.65Å; D99-L103 VanDerWaalsContact O-N 3.14Å
100I88.4Confident89.2Confident18 Ų1846.9 Ų46.99%0.09226%0.257CS..Hα-helixtrans-69.3-38-177.6-166.5170.7000112.4A65 D67 N98 R102 L103 A104 A118 H119A65-I100 HydrophobicContact CB-CG1 4.36Å; D67-I100 HydrophobicContact CB-CG2 4.02Å; N98-I100 PolarHBondContact O-N 2.93Å; I100-R102 VanDerWaalsContact C-N 3.3Å; I100-R102 PolarHBondContact O-N 3.36Å; I100-L103 WeakPolarHBondContact O-CB 3.22Å; I100-L103 PolarHBondContact O-N 2.99Å; I100-L103 VanDerWaalsContact O-N 3.15Å; I100-A104 WeakPolarHBondContact O-CB 3.48Å; I100-A104 PolarHBondContact O-N 3.35Å; I100-A118 HydrophobicContact CG1-CB 4.16Å; I100-H119 WeakPolarHBondContact CD1-CE1 3.32Å; I100-H119 WeakPolarHBondContact CD1-ND1 3.38Å
101D87.7Confident87.8Confident125 Ų12552.5 Ų52.567%0.66829%0.287SS*.Hα-helixtrans-60.5-45.5-179.5-73.6-37.3000110.3A104 D105D101-A104 WeakPolarHBondContact O-CB 3.17Å; D101-A104 PolarHBondContact O-N 2.93Å; D101-D105 PolarHBondContact O-N 3.37Å
102R89.3Confident86.3Confident22 Ų2251.1 Ų51.18%0.08329%0.287CS..Hα-helixtrans-68-38.8176.3-175.6177.2169.6-177.60.7112.8E29 D99 I100 A104 D105 L106 L158 P159E29-R102 VanDerWaalsContact CD-NH2 3.27Å; E29-R102 IonicContact OE1-CZ 2.88Å; E29-R102 IonicContact OE1-NH2 3.94Å; E29-R102 PolarHBondContact OE1-NH2 3.03Å; E29-R102 IonicContact OE2-NH2 3.3Å; E29-R102 PolarHBondContact OE2-NH2 3.41Å; D99-R102 HydrophobicContact CB-CB 4.26Å; D99-R102 WeakPolarHBondContact OD1-CB 3.21Å; D99-R102 PolarHBondContact OD1-N 3.16Å; D99-R102 VanDerWaalsContact OD2-CB 3.29Å; D99-R102 WeakPolarHBondContact OD2-CB 3.11Å; I100-R102 VanDerWaalsContact C-N 3.3Å; I100-R102 PolarHBondContact O-N 3.36Å; R102-A104 PolarHBondContact O-N 3.12Å; R102-D105 WeakPolarHBondContact O-CB 3.48Å; R102-D105 PolarHBondContact O-N 2.92Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.91Å; R102-L158 HydrophobicContact CB-CD1 4.34Å; R102-L158 HydrophobicContact CG-CD1 4Å; R102-L158 PolarHBondContact NH1-O 2.99Å; R102-P159 PolarHBondContact NH1-O 3.01Å; R102-P159 PolarHBondContact NH2-O 3.37Å
103L91.1Very high84.7Confident0 Ų053.3 Ų53.30%031%0.312CS..Hα-helixtrans-60.6-41.4176.4-170.463000110.4L32 V63 A65 D99 I100 L106 V107 A118 I121 L158L32-L103 HydrophobicContact CD1-CD1 3.45Å; L32-L103 VanDerWaalsContact CD1-CD1 3.45Å; V63-L103 HydrophobicContact CG1-CD2 4.1Å; A65-L103 HydrophobicContact CB-CD2 3.49Å; A65-L103 VanDerWaalsContact CB-CD2 3.49Å; D99-L103 WeakPolarHBondContact O-CB 3.42Å; D99-L103 PolarHBondContact O-N 2.65Å; D99-L103 VanDerWaalsContact O-N 3.14Å; I100-L103 WeakPolarHBondContact O-CB 3.22Å; I100-L103 PolarHBondContact O-N 2.99Å; I100-L103 VanDerWaalsContact O-N 3.15Å; L103-L106 PolarHBondContact O-N 3.14Å; L103-V107 WeakPolarHBondContact O-CG2 3.35Å; L103-V107 PolarHBondContact O-N 3.07Å; L103-A118 WeakPolarHBondContact CD2-O 3.25Å; L103-I121 HydrophobicContact CD1-CD1 3.6Å; L103-I121 HydrophobicContact CD2-CD1 3.64Å; L103-I121 HydrophobicContact CG-CD1 3.49Å; L103-I121 VanDerWaalsContact CG-CD1 3.49Å; L103-L158 HydrophobicContact CD1-CD1 4.4Å
104A89.5Confident82.9Confident24 Ų2458.5 Ų58.520%0.19834%0.336CS..Hα-helixtrans-60.3-43.1173.100000112I100 D101 R102 L106 V107 G108 A118I100-A104 WeakPolarHBondContact O-CB 3.48Å; I100-A104 PolarHBondContact O-N 3.35Å; D101-A104 WeakPolarHBondContact O-CB 3.17Å; D101-A104 PolarHBondContact O-N 2.93Å; R102-A104 PolarHBondContact O-N 3.12Å; A104-L106 VanDerWaalsContact C-N 3.33Å; A104-L106 PolarHBondContact O-N 2.86Å; A104-V107 WeakPolarHBondContact O-CG2 3.46Å; A104-V107 PolarHBondContact O-N 2.79Å; A104-G108 WeakPolarHBondContact O-CA 3.32Å; A104-G108 PolarHBondContact O-N 3.46Å; A104-A118 HydrophobicContact CB-CB 4.19Å
105D89.4Confident81.2Confident119 Ų11963.2 Ų63.264%0.63637%0.367SS*.Hα-helixtrans-59.6-40.9174.6-84-14.8000112.6D101 R102D101-D105 PolarHBondContact O-N 3.37Å; R102-D105 WeakPolarHBondContact O-CB 3.48Å; R102-D105 PolarHBondContact O-N 2.92Å
106L90Very high79.9Confident24 Ų2466.6 Ų66.613%0.12638%0.381CS..Hα-helixtrans-66.7-48.1178.4-71.5173.4000111.6E29 L32 I33 K36 R102 L103 A104 G108 L158E29-L106 HydrophobicContact CB-CD1 4.4Å; E29-L106 HydrophobicContact CG-CD1 4.09Å; E29-L106 HydrophobicContact CG-CD2 3.83Å; L32-L106 HydrophobicContact CD1-CD1 4.41Å; I33-L106 HydrophobicContact CD1-CD2 4.15Å; I33-L106 HydrophobicContact CG1-CD2 4.2Å; K36-L106 WeakPolarHBondContact CD-O 3.4Å; K36-L106 PolarHBondContact NZ-O 2.86Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.91Å; L103-L106 PolarHBondContact O-N 3.14Å; A104-L106 VanDerWaalsContact C-N 3.33Å; A104-L106 PolarHBondContact O-N 2.86Å; L106-G108 VanDerWaalsContact C-N 3.33Å; L106-L158 HydrophobicContact CD1-CD1 3.94Å; L106-L158 HydrophobicContact CD1-CD2 4.32Å
107V87.3Confident79.2Confident4 Ų464.1 Ų64.12%0.02438%0.376CS..Hα-helixtrans-74.6-23.7179.9-59.70000113.1K36 L41 V43 L103 A104 I121K36-V107 WeakPolarHBondContact CE-O 3.43Å; K36-V107 PolarHBondContact NZ-O 3.11Å; L41-V107 HydrophobicContact CD1-CG1 4.25Å; V43-V107 HydrophobicContact CG1-CG2 4.17Å; V43-V107 HydrophobicContact CG2-CB 4.05Å; V43-V107 HydrophobicContact CG2-CG1 4.08Å; V43-V107 HydrophobicContact CG2-CG2 4.46Å; L103-V107 WeakPolarHBondContact O-CG2 3.35Å; L103-V107 PolarHBondContact O-N 3.07Å; A104-V107 WeakPolarHBondContact O-CG2 3.46Å; A104-V107 PolarHBondContact O-N 2.79Å; V107-I121 HydrophobicContact CG1-CD1 3.45Å; V107-I121 VanDerWaalsContact CG1-CD1 3.45Å; V107-I121 HydrophobicContact CG1-CG1 4.27Å
108G82.8Confident79Confident19 Ų1964.2 Ų64.220%0.19638%0.377CS..  trans76.3169.8179.200000114.2A104 L106 K116A104-G108 WeakPolarHBondContact O-CA 3.32Å; A104-G108 PolarHBondContact O-N 3.46Å; L106-G108 VanDerWaalsContact C-N 3.33Å; G108-K116 VanDerWaalsContact O-CD 3.28Å; G108-K116 WeakPolarHBondContact O-CD 3.41Å; G108-K116 WeakPolarHBondContact O-CG 3.36Å
109A70.2Confident79.4Confident65 Ų6559.8 Ų59.854%0.53735%0.353SS..  trans-67.6158.6176.900000112.5K116A109-K116 WeakPolarHBondContact O-CE 3.46Å
110D65.3Low79.8Confident56 Ų5656.5 Ų56.530%0.29934%0.336SS..  trans-75.6174.2169.269.717.3000112.1S112 G113 E114 K116D110-S112 PolarHBondContact O-N 2.8Å; D110-S112 VanDerWaalsContact O-N 3.12Å; D110-S112 VanDerWaalsContact OD1-CA 3.27Å; D110-S112 WeakPolarHBondContact OD1-CA 3.39Å; D110-S112 WeakPolarHBondContact OD1-CB 3.25Å; D110-S112 PolarHBondContact OD1-N 3.46Å; D110-S112 PolarHBondContact OD1-OG 3.09Å; D110-S112 PolarHBondContact OD2-OG 3.5Å; D110-G113 PolarHBondContact O-N 3.45Å; D110-G113 VanDerWaalsContact O-N 3.13Å; D110-G113 PolarHBondContact OD1-N 3.46Å; D110-E114 PolarHBondContact N-O 3.48Å; D110-E114 PolarHBondContact OD1-N 2.93Å; D110-E114 VanDerWaalsContact OD1-N 3.09Å; D110-K116 VanDerWaalsContact CA-CE 3.46Å; D110-K116 HydrophobicContact CB-CG 3.95Å
111D64.6Low80.2Confident185 Ų18555.7 Ų55.799%0.98933%0.331SS*.THydrogen-bonded Turntrans-65.3-11.6178.4-65.2-30.9000113.1
112S65Low80.7Confident86 Ų8649.7 Ų49.760%0.60130%0.299SS*.THydrogen-bonded Turntrans-91.5-11.4177.982.40000113.1D110 E114D110-S112 PolarHBondContact O-N 2.8Å; D110-S112 VanDerWaalsContact O-N 3.12Å; D110-S112 VanDerWaalsContact OD1-CA 3.27Å; D110-S112 WeakPolarHBondContact OD1-CA 3.39Å; D110-S112 WeakPolarHBondContact OD1-CB 3.25Å; D110-S112 PolarHBondContact OD1-N 3.46Å; D110-S112 PolarHBondContact OD1-OG 3.09Å; D110-S112 PolarHBondContact OD2-OG 3.5Å; S112-E114 VanDerWaalsContact C-N 3.3Å
113G61.8Low81Confident58 Ų5848.7 Ų48.760%0.59830%0.296SS*.SBendtrans82.45.8-178.100000113.9D110D110-G113 PolarHBondContact O-N 3.45Å; D110-G113 VanDerWaalsContact O-N 3.13Å; D110-G113 PolarHBondContact OD1-N 3.46Å
114E58.6Low81.1Confident128 Ų12849.7 Ų49.760%0.59830%0.302SS*.SBendtrans-85.1148173.2-66.1-68.2134.300109.7D110 S112 K116D110-E114 PolarHBondContact N-O 3.48Å; D110-E114 PolarHBondContact OD1-N 2.93Å; D110-E114 VanDerWaalsContact OD1-N 3.09Å; S112-E114 VanDerWaalsContact C-N 3.3Å; E114-K116 PolarHBondContact O-N 3.16Å
115P63Low81.1Confident103 Ų10349.5 Ų49.567%0.66930%0.299SS*.PPolyproline II helixtrans-61.7130.1174.124.3-30.4000109.6
116K70.7Confident80.5Confident72 Ų7245.9 Ų45.931%0.31328%0.282SS..PPolyproline II helixtrans-65.4140.5177.2-71.2-171.3-178.4177.50109.9V43 G108 A109 D110 E114 A118V43-K116 HydrophobicContact CB-CD 4.14Å; V43-K116 HydrophobicContact CG1-CB 3.85Å; V43-K116 HydrophobicContact CG1-CD 3.99Å; V43-K116 HydrophobicContact CG2-CD 4.43Å; G108-K116 VanDerWaalsContact O-CD 3.28Å; G108-K116 WeakPolarHBondContact O-CD 3.41Å; G108-K116 WeakPolarHBondContact O-CG 3.36Å; A109-K116 WeakPolarHBondContact O-CE 3.46Å; D110-K116 VanDerWaalsContact CA-CE 3.46Å; D110-K116 HydrophobicContact CB-CG 3.95Å; E114-K116 PolarHBondContact O-N 3.16Å; K116-A118 PolarHBondContact O-N 3.26Å
117D81.1Confident79.6Confident59 Ų5949.5 Ų49.532%0.31631%0.309SS..  trans-58.689.6163.1171.614.7000109V43 G44 V45 H119V43-D117 WeakPolarHBondContact CG1-O 3.24Å; G44-D117 WeakPolarHBondContact CA-O 3.42Å; G44-D117 PolarHBondContact N-O 3.33Å; G44-D117 VanDerWaalsContact N-O 3.11Å; V45-D117 PolarHBondContact N-OD2 3.49Å; D117-H119 PolarHBondContact O-N 3.08Å; D117-H119 WeakPolarHBondContact OD1-CB 3.4Å; D117-H119 IonicContact OD1-CD2 3.31Å; D117-H119 PolarHBondContact OD1-CD2 3.37Å; D117-H119 IonicContact OD1-CG 3.85Å; D117-H119 VanDerWaalsContact OD1-CG 3.3Å; D117-H119 PolarHBondContact OD1-N 3.27Å; D117-H119 VanDerWaalsContact OD1-N 3.17Å
118A90.3Very high78.7Confident3 Ų354 Ų543%0.02535%0.347CS..THydrogen-bonded Turntrans-87.215.4-177.900000112.2I100 L103 A104 K116 C120I100-A118 HydrophobicContact CG1-CB 4.16Å; L103-A118 WeakPolarHBondContact CD2-O 3.25Å; A104-A118 HydrophobicContact CB-CB 4.19Å; K116-A118 PolarHBondContact O-N 3.26Å; A118-C120 PolarHBondContact O-N 2.99Å
119H93.9Very high78.2Confident17 Ų1758 Ų588%0.07936%0.364CS..THydrogen-bonded Turntrans-67.9-24.1-179.7-69.2-54.1000113.4V45 L64 A65 Y70 L76 F80 I100 D117V45-H119 HydrophobicContact CG2-CB 3.7Å; L64-H119 WeakPolarHBondContact CA-O 3.32Å; A65-H119 PolarHBondContact N-O 3.17Å; A65-H119 VanDerWaalsContact O-CA 3.28Å; A65-H119 WeakPolarHBondContact O-CA 3.47Å; A65-H119 PolarHBondContact O-ND1 3.33Å; Y70-H119 AromaticContact CD1-NE2 3.98Å; Y70-H119 AromaticContact CD2-CE1 3.24Å; Y70-H119 WeakPolarHBondContact CD2-CE1 3.28Å; Y70-H119 AromaticContact CD2-NE2 3.65Å; Y70-H119 AromaticContact CE1-NE2 3.92Å; Y70-H119 AromaticContact CE2-CE1 3.54Å; Y70-H119 AromaticContact CE2-NE2 3.64Å; Y70-H119 AromaticContact CG-CE1 3.67Å; Y70-H119 AromaticContact CG-NE2 3.86Å; Y70-H119 AromaticContact CZ-NE2 3.77Å; L76-H119 HydrophobicContact CD1-CB 4.01Å; F80-H119 HydrophobicContact CE1-CB 3.93Å; F80-H119 WeakPolarHBondContact CE1-O 3.4Å; F80-H119 HydrophobicContact CZ-CB 3.87Å; F80-H119 VanDerWaalsContact CZ-O 3.29Å; F80-H119 WeakPolarHBondContact CZ-O 3.49Å; I100-H119 WeakPolarHBondContact CD1-CE1 3.32Å; I100-H119 WeakPolarHBondContact CD1-ND1 3.38Å; D117-H119 PolarHBondContact O-N 3.08Å; D117-H119 WeakPolarHBondContact OD1-CB 3.4Å; D117-H119 IonicContact OD1-CD2 3.31Å; D117-H119 PolarHBondContact OD1-CD2 3.37Å; D117-H119 IonicContact OD1-CG 3.85Å; D117-H119 VanDerWaalsContact OD1-CG 3.3Å; D117-H119 PolarHBondContact OD1-N 3.27Å; D117-H119 VanDerWaalsContact OD1-N 3.17Å
120C96.1Very high78.6Confident0 Ų058.7 Ų58.70%036%0.363CS..EExtended strand (participates in β ladder)trans-141.5135.7172.2-173.10000110.9G44 V45 S48 V63 L64 I83 A118G44-C120 PolarHBondContact N-O 3.01Å; V45-C120 HydrophobicContact CB-CB 4.49Å; V45-C120 HydrophobicContact CG2-CB 3.94Å; S48-C120 VanDerWaalsContact CB-SG 3.51Å; S48-C120 PolarHBondContact OG-SG 3.14Å; V63-C120 WeakPolarHBondContact O-CA 3.43Å; L64-C120 HydrophobicContact CD2-CB 3.99Å; I83-C120 HydrophobicContact CD1-CB 4.38Å; A118-C120 PolarHBondContact O-N 2.99Å
121I97.1Very high79.3Confident0 Ų057.1 Ų57.10%035%0.353CS..EExtended strand (participates in β ladder)trans-131.8131173.8-58.1164.2000109L32 L41 T42 V43 V63 L103 V107L32-I121 HydrophobicContact CD2-CG2 3.97Å; L41-I121 HydrophobicContact CD2-CG2 3.79Å; T42-I121 CarbonylContact O-C 3.05Å; T42-I121 VanDerWaalsContact O-CA 3.24Å; T42-I121 WeakPolarHBondContact O-CA 3.44Å; T42-I121 WeakPolarHBondContact O-CG2 3.22Å; V43-I121 HydrophobicContact CG1-CG1 4.26Å; V43-I121 HydrophobicContact CG2-CG1 4.34Å; V43-I121 HydrophobicContact CG2-CG2 4.48Å; V63-I121 HydrophobicContact CB-CB 4.22Å; V63-I121 PolarHBondContact N-O 3.31Å; V63-I121 PolarHBondContact O-N 3.4Å; L103-I121 HydrophobicContact CD1-CD1 3.6Å; L103-I121 HydrophobicContact CD2-CD1 3.64Å; L103-I121 HydrophobicContact CG-CD1 3.49Å; L103-I121 VanDerWaalsContact CG-CD1 3.49Å; V107-I121 HydrophobicContact CG1-CD1 3.45Å; V107-I121 VanDerWaalsContact CG1-CD1 3.45Å; V107-I121 HydrophobicContact CG1-CG1 4.27Å
122L96.8Very high80.2Confident0 Ų057.2 Ų57.20%034%0.344CS..EExtended strand (participates in β ladder)trans-107.8135.1168.8-55-178.4000110.8L41 T42 S48 V51 M52 V59 F61 C62L41-L122 WeakPolarHBondContact CA-O 3.42Å; T42-L122 PolarHBondContact N-O 3.2Å; T42-L122 PolarHBondContact O-N 2.96Å; S48-L122 WeakPolarHBondContact O-CD1 3.5Å; V51-L122 HydrophobicContact CB-CD1 4.24Å; V51-L122 HydrophobicContact CG1-CD1 4.35Å; M52-L122 HydrophobicContact CE-CD1 3.75Å; M52-L122 HydrophobicContact CE-CD2 3.37Å; M52-L122 HydrophobicContact CE-CG 4.17Å; M52-L122 HydrophobicContact CG-CD1 3.96Å; V59-L122 HydrophobicContact CG1-CB 4.38Å; V59-L122 HydrophobicContact CG1-CD1 4.31Å; V59-L122 HydrophobicContact CG1-CD2 4.08Å; V59-L122 HydrophobicContact CG1-CG 4.49Å; V59-L122 HydrophobicContact CG2-CD1 4.18Å; F61-L122 WeakPolarHBondContact O-CA 3.28Å; C62-L122 HydrophobicContact CB-CD2 3.73Å; C62-L122 VanDerWaalsContact SG-CD2 3.59Å
123V96.3Very high81.4Confident1 Ų154.2 Ų54.21%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-96.4120.9164.1-178.50000107.1L31 L32 A35 Y40 L41 A60 F61 W131L31-V123 HydrophobicContact CD1-CG1 4.47Å; L31-V123 HydrophobicContact CD2-CG2 4.02Å; L31-V123 HydrophobicContact CG-CG2 4.29Å; L32-V123 HydrophobicContact CD2-CG2 4.33Å; A35-V123 HydrophobicContact CB-CG1 4.15Å; Y40-V123 WeakPolarHBondContact O-CA 3.22Å; L41-V123 HydrophobicContact CD2-CG2 3.79Å; A60-V123 PolarHBondContact N-O 3Å; F61-V123 HydrophobicContact CB-CB 3.98Å; F61-V123 HydrophobicContact CB-CG2 4.24Å; F61-V123 PolarHBondContact N-O 3.46Å; F61-V123 PolarHBondContact O-N 3.38Å; V123-W131 HydrophobicContact CG1-CE3 4.05Å; V123-W131 HydrophobicContact CG1-CZ3 3.54Å
124T94.1Very high82.9Confident20 Ų2055.7 Ų55.712%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-102.1150.4176.958.10000111.4Y40 V51 S58Y40-T124 WeakPolarHBondContact CB-O 3.39Å; Y40-T124 PolarHBondContact O-N 2.79Å; Y40-T124 PolarHBondContact O-OG1 3.03Å; V51-T124 HydrophobicContact CG1-CG2 4.08Å; S58-T124 CarbonylContact O-C 3.58Å; S58-T124 WeakPolarHBondContact O-CA 3.24Å; S58-T124 WeakPolarHBondContact O-CB 3.21Å
125S89.1Confident84.7Confident20 Ų2049.6 Ų49.614%0.1429%0.292CS..  trans-132.8101.3175.6-174.20000107.1S58 S127 P130 W131S58-S125 PolarHBondContact O-N 2.86Å; S125-S127 PolarHBondContact O-N 2.89Å; S125-P130 WeakPolarHBondContact OG-CA 3.32Å; S125-W131 PolarHBondContact OG-N 3.46Å
126P76.5Confident86.2Confident43 Ų4345.7 Ų45.728%0.27927%0.265SS..  trans-58.9130.8-176.7-23.732.8000111.3Y40 A128 N129Y40-P126 HydrophobicContact CD1-CG 4.37Å; Y40-P126 HydrophobicContact CE1-CG 3.74Å; P126-A128 PolarHBondContact O-N 3.39Å; P126-A128 VanDerWaalsContact O-N 3.07Å; P126-N129 CarbonylContact O-C 3.54Å; P126-N129 PolarHBondContact O-N 3.25Å
127S70.4Confident87.3Confident100 Ų10047.5 Ų47.570%0.69928%0.279SS*.THydrogen-bonded Turntrans-56.8-29.1-178.657.30000113.9S125S125-S127 PolarHBondContact O-N 2.89Å
128A68.9Low88Confident99 Ų9949.7 Ų49.782%0.81829%0.285SS*.THydrogen-bonded Turntrans-73.4-23.8177.500000113.9P126P126-A128 PolarHBondContact O-N 3.39Å; P126-A128 VanDerWaalsContact O-N 3.07Å
129N72Confident88.3Confident104 Ų10449.5 Ų49.556%0.55628%0.284SS*.SBendtrans-148.181.7177-177.442.5000108.9P126 W131P126-N129 CarbonylContact O-C 3.54Å; P126-N129 PolarHBondContact O-N 3.25Å; N129-W131 PolarHBondContact O-N 3.45Å
130P78.8Confident88.4Confident78 Ų7850.3 Ų50.351%0.50629%0.292SS..  trans-58.1115.7-176.8-21.431.2000109.3S125 K132S125-P130 WeakPolarHBondContact OG-CA 3.32Å; P130-K132 PolarHBondContact O-N 2.98Å
131W81.2Confident88.4Confident24 Ų2454.5 Ų54.59%0.09131%0.314CS..  trans-67.9122.6175.7-177.237.1000108.8L31 A34 A35 Q38 Y40 V123 S125 N129 D133L31-W131 HydrophobicContact CD1-CH2 3.53Å; L31-W131 HydrophobicContact CD1-CZ3 3.62Å; L31-W131 HydrophobicContact CG-CH2 4.47Å; A34-W131 HydrophobicContact CB-CH2 3.92Å; A34-W131 HydrophobicContact CB-CZ2 3.61Å; A35-W131 HydrophobicContact CB-CH2 3.63Å; A35-W131 HydrophobicContact CB-CZ3 3.61Å; A35-W131 VanDerWaalsContact N-CH2 3.31Å; Q38-W131 VanDerWaalsContact NE2-NE1 3.12Å; Y40-W131 HydrophobicContact CD2-CB 4.06Å; Y40-W131 AromaticContact CD2-CD2 3.8Å; Y40-W131 HydrophobicContact CD2-CD2 3.8Å; Y40-W131 AromaticContact CD2-CE3 3.84Å; Y40-W131 HydrophobicContact CD2-CE3 3.84Å; Y40-W131 AromaticContact CD2-CG 3.91Å; Y40-W131 HydrophobicContact CD2-CG 3.91Å; Y40-W131 HydrophobicContact CE2-CB 3.76Å; Y40-W131 HydrophobicContact CE2-CD2 4.19Å; Y40-W131 AromaticContact CE2-CG 3.8Å; Y40-W131 HydrophobicContact CE2-CG 3.8Å; V123-W131 HydrophobicContact CG1-CE3 4.05Å; V123-W131 HydrophobicContact CG1-CZ3 3.54Å; S125-W131 PolarHBondContact OG-N 3.46Å; N129-W131 PolarHBondContact O-N 3.45Å; W131-D133 HydrophobicContact CD2-CB 4.22Å; W131-D133 HydrophobicContact CH2-CB 3.94Å; W131-D133 HydrophobicContact CZ2-CB 3.55Å; W131-D133 WeakPolarHBondContact CZ2-OD2 3.31Å; W131-D133 HydrophobicContact CZ3-CB 4.42Å
132K82.9Confident88.4Confident186 Ų18655.4 Ų55.481%0.80932%0.317SS*.  trans-107.697.8177.5-68.1-172.4179.9-1730108.7P130P130-K132 PolarHBondContact O-N 2.98Å
133D89.8Confident88.4Confident24 Ų2455.5 Ų55.513%0.12832%0.318CS..  trans-110.2123.7174.2-162.8-72.8000110L31 W131 A135 L136 D137L31-D133 HydrophobicContact CD1-CB 4.05Å; W131-D133 HydrophobicContact CD2-CB 4.22Å; W131-D133 HydrophobicContact CH2-CB 3.94Å; W131-D133 HydrophobicContact CZ2-CB 3.55Å; W131-D133 WeakPolarHBondContact CZ2-OD2 3.31Å; W131-D133 HydrophobicContact CZ3-CB 4.42Å; D133-A135 PolarHBondContact O-N 2.97Å; D133-A135 VanDerWaalsContact O-N 3.16Å; D133-A135 WeakPolarHBondContact OD1-CA 2.97Å; D133-A135 WeakPolarHBondContact OD1-CB 3.25Å; D133-A135 PolarHBondContact OD1-N 3.04Å; D133-L136 HydrophobicContact CB-CB 4.28Å; D133-L136 VanDerWaalsContact O-CB 3.31Å; D133-L136 WeakPolarHBondContact O-CB 3.34Å; D133-L136 PolarHBondContact O-N 3.18Å; D133-D137 PolarHBondContact O-N 3.4Å
134P93.6Very high88.3Confident88 Ų8860.9 Ų60.957%0.57134%0.343SS*.Hα-helixtrans-58.6-25.9178.3-2433.7000114L136 D137 K138P134-L136 VanDerWaalsContact C-N 3.35Å; P134-D137 PolarHBondContact O-N 3.49Å; P134-K138 WeakPolarHBondContact O-CG 3.39Å; P134-K138 PolarHBondContact O-N 2.84Å
135A95.5Very high88.4Confident1 Ų163.2 Ų63.21%0.00835%0.353CS..Hα-helixtrans-70.2-34.6175.900000111.6A27 E30 L31 D133 K138 L139A27-A135 HydrophobicContact CB-CB 4.17Å; A27-A135 WeakPolarHBondContact O-CB 3.48Å; E30-A135 HydrophobicContact CB-CB 4.19Å; L31-A135 HydrophobicContact CB-CB 4.02Å; D133-A135 PolarHBondContact O-N 2.97Å; D133-A135 VanDerWaalsContact O-N 3.16Å; D133-A135 WeakPolarHBondContact OD1-CA 2.97Å; D133-A135 WeakPolarHBondContact OD1-CB 3.25Å; D133-A135 PolarHBondContact OD1-N 3.04Å; A135-K138 PolarHBondContact O-N 3.08Å; A135-L139 WeakPolarHBondContact O-CB 3.44Å; A135-L139 WeakPolarHBondContact O-CD1 3.31Å; A135-L139 VanDerWaalsContact O-CG 3.3Å; A135-L139 WeakPolarHBondContact O-CG 2.99Å; A135-L139 PolarHBondContact O-N 3.32Å
136L94.6Very high88.6Confident20 Ų2063 Ų6311%0.10535%0.352CS..Hα-helixtrans-63.4-41.3173.7-176.862.7000111.5L31 A60 F61 D133 P134 L139 S140L31-L136 HydrophobicContact CD1-CB 3.87Å; L31-L136 HydrophobicContact CD2-CD1 4.07Å; A60-L136 HydrophobicContact CB-CD2 3.99Å; F61-L136 HydrophobicContact CB-CD1 3.78Å; F61-L136 HydrophobicContact CD2-CD1 3.88Å; F61-L136 HydrophobicContact CG-CD1 4.1Å; D133-L136 HydrophobicContact CB-CB 4.28Å; D133-L136 VanDerWaalsContact O-CB 3.31Å; D133-L136 WeakPolarHBondContact O-CB 3.34Å; D133-L136 PolarHBondContact O-N 3.18Å; P134-L136 VanDerWaalsContact C-N 3.35Å; L136-L139 PolarHBondContact O-N 3.42Å; L136-S140 WeakPolarHBondContact O-CB 3.4Å; L136-S140 PolarHBondContact O-N 3.2Å; L136-S140 PolarHBondContact O-OG 3.03Å
137D94.4Very high89.5Confident111 Ų11164.5 Ų64.559%0.59435%0.352SS*.Hα-helixtrans-63.1-43.9176.5-67.9-34.1000111.2D133 P134 L139 S140 L141D133-D137 PolarHBondContact O-N 3.4Å; P134-D137 PolarHBondContact O-N 3.49Å; D137-L139 PolarHBondContact O-N 2.9Å; D137-S140 PolarHBondContact O-N 2.98Å; D137-L141 PolarHBondContact O-N 3.04Å
138K96Very high90.6Very high104 Ų10464.3 Ų64.345%0.45235%0.35SS..Hα-helixtrans-61.1-44176.2-72.1174.9-173.9173.80112.2A27 P134 A135 S140 L141 F142A27-K138 HydrophobicContact CB-CB 4.22Å; A27-K138 HydrophobicContact CB-CD 4.21Å; P134-K138 WeakPolarHBondContact O-CG 3.39Å; P134-K138 PolarHBondContact O-N 2.84Å; A135-K138 PolarHBondContact O-N 3.08Å; K138-S140 VanDerWaalsContact C-N 3.34Å; K138-L141 PolarHBondContact O-N 3.49Å; K138-F142 PolarHBondContact O-N 2.86Å
139L96.9Very high91.8Very high0 Ų063 Ų630%034%0.34CS..Hα-helixtrans-68.4-36.3178.7-72.1162.3000111.8A24 A27 L28 L31 F61 A135 L136 D137 L141 F142 C143 I156A24-L139 HydrophobicContact CB-CD2 4.37Å; A27-L139 HydrophobicContact CB-CD1 4.48Å; A27-L139 HydrophobicContact CB-CD2 4.36Å; A27-L139 HydrophobicContact CB-CG 4.07Å; L28-L139 HydrophobicContact CB-CD1 4.41Å; L28-L139 HydrophobicContact CB-CD2 4.14Å; L28-L139 HydrophobicContact CD1-CD1 4.18Å; L31-L139 HydrophobicContact CB-CD1 4.12Å; L31-L139 HydrophobicContact CD2-CD1 3.51Å; L31-L139 HydrophobicContact CG-CD1 4.42Å; F61-L139 HydrophobicContact CD2-CB 4.43Å; F61-L139 HydrophobicContact CE1-CD1 4.31Å; F61-L139 HydrophobicContact CE2-CB 3.62Å; F61-L139 HydrophobicContact CZ-CB 3.75Å; F61-L139 HydrophobicContact CZ-CD1 4.15Å; F61-L139 HydrophobicContact CZ-CD2 4.19Å; F61-L139 HydrophobicContact CZ-CG 4.26Å; A135-L139 WeakPolarHBondContact O-CB 3.44Å; A135-L139 WeakPolarHBondContact O-CD1 3.31Å; A135-L139 VanDerWaalsContact O-CG 3.3Å; A135-L139 WeakPolarHBondContact O-CG 2.99Å; A135-L139 PolarHBondContact O-N 3.32Å; L136-L139 PolarHBondContact O-N 3.42Å; D137-L139 PolarHBondContact O-N 2.9Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-F142 WeakPolarHBondContact O-CB 3.35Å; L139-F142 PolarHBondContact O-N 3.02Å; L139-C143 PolarHBondContact O-N 3.35Å; L139-C143 PolarHBondContact O-SG 3.29Å; L139-C143 VanDerWaalsContact O-SG 3.33Å; L139-I156 HydrophobicContact CD2-CD1 3.72Å
140S95.8Very high92.8Very high34 Ų3467.3 Ų67.324%0.23835%0.349CS..Hα-helixtrans-63.1-43.4175-59.90000111.4N93 L136 D137 K138 C143 E144N93-S140 WeakPolarHBondContact ND2-CB 3.24Å; N93-S140 PolarHBondContact ND2-OG 2.97Å; L136-S140 WeakPolarHBondContact O-CB 3.4Å; L136-S140 PolarHBondContact O-N 3.2Å; L136-S140 PolarHBondContact O-OG 3.03Å; D137-S140 PolarHBondContact O-N 2.98Å; K138-S140 VanDerWaalsContact C-N 3.34Å; S140-C143 PolarHBondContact O-N 3.19Å; S140-E144 PolarHBondContact O-N 2.92Å
141L95.7Very high93.5Very high88 Ų8867 Ų6746%0.46134%0.343SS..Hα-helixtrans-61.9-46.3173.5-179.563.5000111.3D137 K138 L139 C143 E144 E145D137-L141 PolarHBondContact O-N 3.04Å; K138-L141 PolarHBondContact O-N 3.49Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L141-C143 VanDerWaalsContact C-N 3.32Å; L141-C143 PolarHBondContact O-N 3.37Å; L141-E144 PolarHBondContact O-N 2.93Å; L141-E144 VanDerWaalsContact O-N 3.16Å; L141-E145 HydrophobicContact CD1-CG 4.18Å; L141-E145 HydrophobicContact CG-CG 4.38Å; L141-E145 VanDerWaalsContact O-CG 3.24Å; L141-E145 WeakPolarHBondContact O-CG 3.49Å; L141-E145 PolarHBondContact O-N 3.35Å
142F96.7Very high94Very high18 Ų1872.7 Ų72.78%0.07937%0.365CS..Hα-helixtrans-55.4-46.4175.8173.3-100.6000111.8V21 A24 K138 L139 E145 S146 P154 I156V21-F142 HydrophobicContact CG2-CE2 4.15Å; V21-F142 HydrophobicContact CG2-CZ 4.42Å; A24-F142 HydrophobicContact CB-CB 4.37Å; A24-F142 HydrophobicContact CB-CD1 4.05Å; A24-F142 HydrophobicContact CB-CD2 3.75Å; A24-F142 HydrophobicContact CB-CE1 4.25Å; A24-F142 HydrophobicContact CB-CE2 3.97Å; A24-F142 HydrophobicContact CB-CG 3.79Å; A24-F142 HydrophobicContact CB-CZ 4.21Å; K138-F142 PolarHBondContact O-N 2.86Å; L139-F142 WeakPolarHBondContact O-CB 3.35Å; L139-F142 PolarHBondContact O-N 3.02Å; F142-E145 PolarHBondContact O-N 2.98Å; F142-S146 WeakPolarHBondContact O-CB 3.42Å; F142-S146 PolarHBondContact O-N 3.22Å; F142-S146 PolarHBondContact O-OG 3.5Å; F142-S146 VanDerWaalsContact O-OG 3.14Å; F142-P154 HydrophobicContact CD1-CG 4.25Å; F142-P154 HydrophobicContact CE1-CB 3.67Å; F142-P154 HydrophobicContact CE1-CG 3.71Å; F142-P154 HydrophobicContact CZ-CB 4Å; F142-P154 HydrophobicContact CZ-CG 4.49Å; F142-I156 HydrophobicContact CD1-CD1 4.01Å; F142-I156 HydrophobicContact CD1-CG1 4.38Å; F142-I156 HydrophobicContact CE1-CD1 3.72Å; F142-I156 HydrophobicContact CE1-CG1 3.6Å; F142-I156 HydrophobicContact CZ-CG1 4.04Å
143C96.9Very high94.6Very high3 Ų364.5 Ų64.52%0.0233%0.331CS..Hα-helixtrans-65.1-38.7176.9-68.50000113N93 L139 S140 L141 R147N93-C143 HydrophobicContact CB-CB 4.18Å; N93-C143 WeakPolarHBondContact OD1-CB 3.25Å; L139-C143 PolarHBondContact O-N 3.35Å; L139-C143 PolarHBondContact O-SG 3.29Å; L139-C143 VanDerWaalsContact O-SG 3.33Å; S140-C143 PolarHBondContact O-N 3.19Å; L141-C143 VanDerWaalsContact C-N 3.32Å; L141-C143 PolarHBondContact O-N 3.37Å; C143-R147 WeakPolarHBondContact O-CB 3.35Å; C143-R147 VanDerWaalsContact O-CG 3.25Å; C143-R147 WeakPolarHBondContact O-CG 3.46Å; C143-R147 PolarHBondContact O-N 3.26Å
144E95.6Very high94.9Very high113 Ų11363.5 Ų63.553%0.52833%0.325SS..Hα-helixtrans-62.4-42.8174.7-176.4178.5-168.400112.2S140 L141 R147 S148S140-E144 PolarHBondContact O-N 2.92Å; L141-E144 PolarHBondContact O-N 2.93Å; L141-E144 VanDerWaalsContact O-N 3.16Å; E144-R147 PolarHBondContact O-N 3.21Å; E144-S148 PolarHBondContact O-N 3.32Å; E144-S148 PolarHBondContact O-OG 3.3Å
145E94.4Very high94.9Very high70 Ų7061.6 Ų61.633%0.32732%0.317SS..Hα-helixtrans-67.6-42.9178.2-66.717313700111.5R20 L141 F142 S148 A149R20-E145 IonicContact CZ-OE1 4Å; R20-E145 IonicContact CZ-OE2 3.7Å; R20-E145 IonicContact NE-OE2 2.99Å; R20-E145 IonicContact NH2-OE1 3.07Å; R20-E145 PolarHBondContact NH2-OE1 3.07Å; R20-E145 IonicContact NH2-OE2 3.87Å; R20-E145 PolarHBondContact NH2-OE2 3.23Å; L141-E145 HydrophobicContact CD1-CG 4.18Å; L141-E145 HydrophobicContact CG-CG 4.38Å; L141-E145 VanDerWaalsContact O-CG 3.24Å; L141-E145 WeakPolarHBondContact O-CG 3.49Å; L141-E145 PolarHBondContact O-N 3.35Å; F142-E145 PolarHBondContact O-N 2.98Å; E145-S148 WeakPolarHBondContact O-CB 3.43Å; E145-S148 PolarHBondContact O-N 3.4Å; E145-A149 PolarHBondContact O-N 3.1Å
146S95.1Very high94.9Very high16 Ų1661.6 Ų61.611%0.11232%0.317CS..Hα-helixtrans-61.3-43.6173.4-67.70000112.2F142 S148 A149 Y150 D151 P154F142-S146 WeakPolarHBondContact O-CB 3.42Å; F142-S146 PolarHBondContact O-N 3.22Å; F142-S146 PolarHBondContact O-OG 3.5Å; F142-S146 VanDerWaalsContact O-OG 3.14Å; S146-S148 VanDerWaalsContact C-N 3.25Å; S146-S148 PolarHBondContact O-N 3.04Å; S146-A149 CarbonylContact O-C 3.42Å; S146-A149 WeakPolarHBondContact O-CA 3.2Å; S146-A149 WeakPolarHBondContact O-CB 3.34Å; S146-A149 PolarHBondContact O-N 2.68Å; S146-Y150 PolarHBondContact O-N 3.28Å; S146-D151 CarbonylContact C-O 3.18Å; S146-D151 WeakPolarHBondContact CB-O 3.47Å; S146-D151 PolarHBondContact O-N 3.26Å; S146-P154 WeakPolarHBondContact OG-CB 3.33Å
147R94.5Very high94.8Very high74 Ų7465.1 Ų65.128%0.27934%0.339SS..Hα-helixtrans-58.6-38.7174.4-77.4-174.4-70-171.52.1111.6D91 N93 C143 E144 A149 Y150 D151 W152D91-R147 IonicContact OD1-CZ 2.65Å; D91-R147 IonicContact OD1-NH1 3.55Å; D91-R147 PolarHBondContact OD1-NH1 3.24Å; N93-R147 PolarHBondContact OD1-NH2 3.48Å; C143-R147 WeakPolarHBondContact O-CB 3.35Å; C143-R147 VanDerWaalsContact O-CG 3.25Å; C143-R147 WeakPolarHBondContact O-CG 3.46Å; C143-R147 PolarHBondContact O-N 3.26Å; E144-R147 PolarHBondContact O-N 3.21Å; R147-A149 PolarHBondContact O-N 3.3Å; R147-Y150 PolarHBondContact O-N 2.65Å; R147-D151 PolarHBondContact N-O 3.48Å; R147-W152 HydrophobicContact CG-CE3 3.91Å; R147-W152 HydrophobicContact CG-CZ3 4.16Å
148S93.3Very high94.6Very high95 Ų9560.1 Ų60.166%0.66431%0.313SS*.Hα-helixtrans-64.8-23.8175.2-58.50000113.1E144 E145 S146E144-S148 PolarHBondContact O-N 3.32Å; E144-S148 PolarHBondContact O-OG 3.3Å; E145-S148 WeakPolarHBondContact O-CB 3.43Å; E145-S148 PolarHBondContact O-N 3.4Å; S146-S148 VanDerWaalsContact C-N 3.25Å; S146-S148 PolarHBondContact O-N 3.04Å
149A93.5Very high94.3Very high73 Ų7356.7 Ų56.760%0.60330%0.301SS*.THydrogen-bonded Turntrans-9412.2173.400000113.9E145 S146 R147 D151E145-A149 PolarHBondContact O-N 3.1Å; S146-A149 CarbonylContact O-C 3.42Å; S146-A149 WeakPolarHBondContact O-CA 3.2Å; S146-A149 WeakPolarHBondContact O-CB 3.34Å; S146-A149 PolarHBondContact O-N 2.68Å; R147-A149 PolarHBondContact O-N 3.3Å; A149-D151 PolarHBondContact O-N 3.35Å
150Y93Very high93.5Very high193 Ų19365.9 Ų65.976%0.75734%0.344SS*.THydrogen-bonded Turntrans64.718.1-176-50.5-83000115.1S146 R147S146-Y150 PolarHBondContact O-N 3.28Å; R147-Y150 PolarHBondContact O-N 2.65Å
151D94.4Very high92Very high71 Ų7177.7 Ų77.738%0.3838%0.383SS..  trans-97.897.5171.6-174.711000110S146 R147 A149 P154S146-D151 CarbonylContact C-O 3.18Å; S146-D151 WeakPolarHBondContact CB-O 3.47Å; S146-D151 PolarHBondContact O-N 3.26Å; R147-D151 PolarHBondContact N-O 3.48Å; A149-D151 PolarHBondContact O-N 3.35Å; D151-P154 VanDerWaalsContact OD2-CA 3.32Å; D151-P154 WeakPolarHBondContact OD2-CA 3.35Å; D151-P154 WeakPolarHBondContact OD2-CB 3.43Å
152W92Very high91.8Very high144 Ų14477.2 Ų77.255%0.54538%0.379SS..SBendtrans-81.8-24.4-171-6496.4000114.2F88 R147F88-W152 HydrophobicContact CE1-CB 4.09Å; F88-W152 WeakPolarHBondContact CE1-O 3.44Å; F88-W152 HydrophobicContact CZ-CB 3.87Å; R147-W152 HydrophobicContact CG-CE3 3.91Å; R147-W152 HydrophobicContact CG-CZ3 4.16Å
153V95.4Very high91.6Very high15 Ų1580.3 Ų80.39%0.09140%0.395CS..SBendtrans-133.674.6176.9-165.10000107.9Q84 F88 V94 R96Q84-V153 HydrophobicContact CG-CG2 4.37Å; F88-V153 HydrophobicContact CE1-CG2 4.34Å; F88-V153 HydrophobicContact CE2-CG2 4.25Å; F88-V153 HydrophobicContact CZ-CG2 3.49Å; F88-V153 VanDerWaalsContact CZ-CG2 3.49Å; V94-V153 HydrophobicContact CG1-CG1 4.22Å; V94-V153 HydrophobicContact CG1-CG2 4.3Å; V94-V153 HydrophobicContact CG2-CG1 4.16Å; R96-V153 HydrophobicContact CG-CG1 3.68Å
154P95.5Very high91.3Very high2 Ų284.6 Ų84.61%0.01342%0.416CS..  trans-63.9143.6-171.626.7-34.9000111.5V95 R96 F142 S146 D151V95-P154 WeakPolarHBondContact CA-O 3.33Å; V95-P154 WeakPolarHBondContact CB-O 3.27Å; V95-P154 HydrophobicContact CG1-CG 4.21Å; R96-P154 PolarHBondContact N-O 2.96Å; F142-P154 HydrophobicContact CD1-CG 4.25Å; F142-P154 HydrophobicContact CE1-CB 3.67Å; F142-P154 HydrophobicContact CE1-CG 3.71Å; F142-P154 HydrophobicContact CZ-CB 4Å; F142-P154 HydrophobicContact CZ-CG 4.49Å; S146-P154 WeakPolarHBondContact OG-CB 3.33Å; D151-P154 VanDerWaalsContact OD2-CA 3.32Å; D151-P154 WeakPolarHBondContact OD2-CA 3.35Å; D151-P154 WeakPolarHBondContact OD2-CB 3.43Å
155A94.1Very high91Very high48 Ų4882.9 Ų82.940%0.39741%0.409SS..EExtended strand (participates in β ladder)trans-84.9137.1175.500000110.7R96R96-A155 CarbonylContact O-C 3.38Å; R96-A155 WeakPolarHBondContact O-CA 3.43Å
156I94.8Very high90.8Very high1 Ų183.7 Ų83.71%0.00541%0.414CS..EExtended strand (participates in β ladder)trans-120.5132.5174.9-67.4-179.1000108.8A24 G25 L28 V95 R96 L139 F142A24-I156 HydrophobicContact CB-CD1 3.94Å; A24-I156 HydrophobicContact CB-CG1 4.29Å; G25-I156 VanDerWaalsContact CA-CG2 3.42Å; L28-I156 HydrophobicContact CB-CG2 4.43Å; L28-I156 HydrophobicContact CD2-CB 4.29Å; L28-I156 HydrophobicContact CD2-CD1 4.34Å; L28-I156 HydrophobicContact CD2-CG2 3.92Å; V95-I156 HydrophobicContact CB-CD1 4.05Å; V95-I156 HydrophobicContact CB-CG1 4.38Å; V95-I156 HydrophobicContact CG1-CD1 3.84Å; V95-I156 HydrophobicContact CG1-CG1 4.47Å; V95-I156 HydrophobicContact CG2-CD1 4.15Å; R96-I156 PolarHBondContact O-N 3.34Å; L139-I156 HydrophobicContact CD2-CD1 3.72Å; F142-I156 HydrophobicContact CD1-CD1 4.01Å; F142-I156 HydrophobicContact CD1-CG1 4.38Å; F142-I156 HydrophobicContact CE1-CD1 3.72Å; F142-I156 HydrophobicContact CE1-CG1 3.6Å; F142-I156 HydrophobicContact CZ-CG1 4.04Å
157T92.2Very high90.5Very high95 Ų9588.2 Ų88.258%0.58343%0.434SS*.PPolyproline II helixtrans-98.4123.6169.2-53.60000108.5G25G25-T157 WeakPolarHBondContact CA-O 3.13Å
158L91.7Very high90.3Very high6 Ų689.2 Ų89.23%0.03145%0.445CS..PPolyproline II helixtrans-68.2148.6174.5-62.7169.8000109.5L28 V97 R102 L103 L106L28-L158 HydrophobicContact CB-CD2 4.25Å; L28-L158 HydrophobicContact CD2-CD2 3.93Å; L28-L158 HydrophobicContact CG-CD2 4.1Å; V97-L158 HydrophobicContact CG1-CD1 3.99Å; V97-L158 HydrophobicContact CG1-CG 4.13Å; R102-L158 HydrophobicContact CB-CD1 4.34Å; R102-L158 HydrophobicContact CG-CD1 4Å; R102-L158 PolarHBondContact NH1-O 2.99Å; L103-L158 HydrophobicContact CD1-CD1 4.4Å; L106-L158 HydrophobicContact CD1-CD1 3.94Å; L106-L158 HydrophobicContact CD1-CD2 4.32Å
159P88.8Confident90Very high31 Ų3188.8 Ų88.820%0.20143%0.429CS..PPolyproline II helixtrans-77.4122.1-174.428.9-35.8000115.6E29 R102E29-P159 WeakPolarHBondContact OE2-CG 3.23Å; R102-P159 PolarHBondContact NH1-O 3.01Å; R102-P159 PolarHBondContact NH2-O 3.37Å
160E80.3Confident89.7Confident193 Ų19390.1 Ų90.190%0.90241%0.414SS*.PPolyproline II helixtrans-49.3145.2-175-60.1-177.5145.200114.6
161R64.6Low89.4Confident282 Ų28280.7 Ų80.7100%1.06438%0.383SS*.  trans-81.90-179.8-76.9-177.366.2-169.20.9113.6

Retrieved 161 of 161 residues in 588.3 ms (Link to these results)

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