A0A087XTJ4_POEFO Loading...

Glutamate decarboxylase like 1

AlphaFold DB , UniProt , Accession A0A087XTJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1M58.3Low79.4Confident176 Ų176110.5 Ų110.587%0.86756%0.564SS**  0-65.60-76.1-157.8-76.400111.5H3 L4 W5M1-H3 VanDerWaalsContact C-N 3.33Å; M1-H3 PolarHBondContact O-N 2.73Å; M1-H3 VanDerWaalsContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 2.67Å; M1-W5 PolarHBondContact O-N 3.35Å; M1-W5 PolarHBondContact O-NE1 3.48Å
2A63.6Low80.6Confident78 Ų78107.8 Ų107.865%0.64555%0.547SS*.Hα-helixtrans-41.8-47.8179.600000116W5 T6A2-W5 WeakPolarHBondContact O-CB 3.44Å; A2-W5 PolarHBondContact O-N 3.01Å; A2-T6 PolarHBondContact O-N 3.35Å; A2-T6 VanDerWaalsContact O-N 3.15Å; A2-T6 PolarHBondContact O-OG1 3.34Å
3H67.9Low81.7Confident142 Ų142101.2 Ų101.266%0.65752%0.517SS*.Hα-helixtrans-68.8-33.3-178.8-169-58.1000114.5M1 W5 L7M1-H3 VanDerWaalsContact C-N 3.33Å; M1-H3 PolarHBondContact O-N 2.73Å; M1-H3 VanDerWaalsContact O-N 3.1Å; H3-W5 VanDerWaalsContact C-N 3.35Å; H3-L7 WeakPolarHBondContact O-CG 3.47Å; H3-L7 PolarHBondContact O-N 3.46Å
4L70.6Confident82.7Confident132 Ų13299.9 Ų99.969%0.69151%0.511SS*.Hα-helixtrans-70.6-36.2176.3-83.3140.6000110.6M1 L7 L8M1-L4 PolarHBondContact O-N 2.67Å; L4-L7 PolarHBondContact O-N 2.67Å; L4-L8 PolarHBondContact O-N 2.74Å; L4-L8 VanDerWaalsContact O-N 3.16Å
5W74.8Confident83.5Confident141 Ų14198.3 Ų98.353%0.53451%0.508SS..Hα-helixtrans-64-48.2176.2-58.1124.4000112.1M1 A2 H3 L7 L8 L9M1-W5 PolarHBondContact O-N 3.35Å; M1-W5 PolarHBondContact O-NE1 3.48Å; A2-W5 WeakPolarHBondContact O-CB 3.44Å; A2-W5 PolarHBondContact O-N 3.01Å; H3-W5 VanDerWaalsContact C-N 3.35Å; W5-L7 VanDerWaalsContact C-N 3.27Å; W5-L7 PolarHBondContact O-N 3.26Å; W5-L8 PolarHBondContact O-N 3.08Å; W5-L8 VanDerWaalsContact O-N 3.15Å; W5-L9 PolarHBondContact O-N 3.26Å; W5-L9 VanDerWaalsContact O-N 3.08Å
6T82.2Confident84.3Confident81 Ų8192.8 Ų92.850%0.49748%0.479SS..Hα-helixtrans-55.9-43.2177.6-54.40000111.9A2 L10A2-T6 PolarHBondContact O-N 3.35Å; A2-T6 VanDerWaalsContact O-N 3.15Å; A2-T6 PolarHBondContact O-OG1 3.34Å; T6-L10 HydrophobicContact CG2-CD1 3.97Å; T6-L10 HydrophobicContact CG2-CG 4.48Å; T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 WeakPolarHBondContact O-CG 3.3Å; T6-L10 PolarHBondContact O-N 2.84Å
7L87.4Confident85Confident96 Ų9690.3 Ų90.350%0.50347%0.466SS..Hα-helixtrans-68.5-36.1-179.7-69.5176.3000112.9H3 L4 W5 K11H3-L7 WeakPolarHBondContact O-CG 3.47Å; H3-L7 PolarHBondContact O-N 3.46Å; L4-L7 PolarHBondContact O-N 2.67Å; W5-L7 VanDerWaalsContact C-N 3.27Å; W5-L7 PolarHBondContact O-N 3.26Å; L7-K11 VanDerWaalsContact O-CB 3.31Å; L7-K11 WeakPolarHBondContact O-CB 3.42Å; L7-K11 PolarHBondContact O-N 2.91Å
8L89.4Confident85.7Confident75 Ų7590.8 Ų90.839%0.39347%0.47SS..Hα-helixtrans-66.1-49.8178-178.361.6000111.3L4 W5 L10 K11 Q12L4-L8 PolarHBondContact O-N 2.74Å; L4-L8 VanDerWaalsContact O-N 3.16Å; W5-L8 PolarHBondContact O-N 3.08Å; W5-L8 VanDerWaalsContact O-N 3.15Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.06Å; L8-K11 PolarHBondContact O-N 2.79Å; L8-Q12 HydrophobicContact CD1-CG 4.33Å; L8-Q12 WeakPolarHBondContact O-CG 3.43Å; L8-Q12 PolarHBondContact O-N 2.95Å
9L91.3Very high86.2Confident56 Ų5690.3 Ų90.329%0.29347%0.465SS..Hα-helixtrans-57.2-48.5176.717660.6000110.7W5 K11 Q12 S13 E56 L60W5-L9 PolarHBondContact O-N 3.26Å; W5-L9 VanDerWaalsContact O-N 3.08Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.38Å; L9-Q12 PolarHBondContact O-N 2.67Å; L9-S13 WeakPolarHBondContact O-CB 3.5Å; L9-S13 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-OG 3.43Å; L9-E56 HydrophobicContact CD1-CG 4.13Å; L9-L60 HydrophobicContact CD1-CD2 3.75Å; L9-L60 HydrophobicContact CD1-CG 4.12Å
10L93.4Very high86.7Confident95 Ų9587.3 Ų87.350%0.49745%0.449SS..Hα-helixtrans-59.4-43.6177.8-72.4173.6000112T6 L8 L14T6-L10 HydrophobicContact CG2-CD1 3.97Å; T6-L10 HydrophobicContact CG2-CG 4.48Å; T6-L10 WeakPolarHBondContact O-CB 3.4Å; T6-L10 WeakPolarHBondContact O-CG 3.3Å; T6-L10 PolarHBondContact O-N 2.84Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 3.06Å; L10-L14 VanDerWaalsContact O-CB 3.32Å; L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 2.78Å
11K94.2Very high87.1Confident144 Ų14484.6 Ų84.663%0.62644%0.44SS*.Hα-helixtrans-62.6-45.2178-177.4-179.6178.6-177.90111.9L7 L8 L9 T15L7-K11 VanDerWaalsContact O-CB 3.31Å; L7-K11 WeakPolarHBondContact O-CB 3.42Å; L7-K11 PolarHBondContact O-N 2.91Å; L8-K11 PolarHBondContact O-N 2.79Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.38Å; K11-T15 WeakPolarHBondContact O-CB 3.22Å; K11-T15 PolarHBondContact O-N 2.98Å; K11-T15 PolarHBondContact O-OG1 2.88Å
12Q94.3Very high88.9Confident77 Ų7777.8 Ų77.836%0.3641%0.408SS..Hα-helixtrans-65.7-45.9179.4-73178.2-18.200111.4L8 L9 T15 M16 L60L8-Q12 HydrophobicContact CD1-CG 4.33Å; L8-Q12 WeakPolarHBondContact O-CG 3.43Å; L8-Q12 PolarHBondContact O-N 2.95Å; L9-Q12 PolarHBondContact O-N 2.67Å; Q12-T15 PolarHBondContact O-N 2.87Å; Q12-M16 WeakPolarHBondContact O-CB 3.49Å; Q12-M16 PolarHBondContact O-N 3.23Å; Q12-L60 HydrophobicContact CB-CD2 4.21Å
13S94.5Very high90.5Very high22 Ų2280 Ų8015%0.15440%0.403CS..Hα-helixtrans-63.3-42177.3-62.50000112.2L9 T15 M16 I17L9-S13 WeakPolarHBondContact O-CB 3.5Å; L9-S13 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-OG 3.43Å; S13-T15 PolarHBondContact O-N 3.21Å; S13-M16 WeakPolarHBondContact O-CB 3.45Å; S13-M16 PolarHBondContact O-N 3.36Å; S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.39Å; S13-I17 PolarHBondContact O-N 3.28Å
14L95.3Very high91.8Very high84 Ų8477.6 Ų77.644%0.4439%0.391SS..Hα-helixtrans-63.7-40.8175.2-74.4170.3000112L10 M16 I17 L18L10-L14 VanDerWaalsContact O-CB 3.32Å; L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 2.78Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 3.19Å; L14-I17 PolarHBondContact O-N 3.23Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.24Å; L14-L18 PolarHBondContact O-N 3.5Å
15T95.8Very high92.8Very high75 Ų7571.4 Ų71.446%0.4636%0.359SS..Hα-helixtrans-61.7-43.6175.1-54.90000110.9K11 Q12 S13 L18 E19K11-T15 WeakPolarHBondContact O-CB 3.22Å; K11-T15 PolarHBondContact O-N 2.98Å; K11-T15 PolarHBondContact O-OG1 2.88Å; Q12-T15 PolarHBondContact O-N 2.87Å; S13-T15 PolarHBondContact O-N 3.21Å; T15-L18 PolarHBondContact O-N 3.26Å; T15-E19 PolarHBondContact O-N 2.93Å
16M95.9Very high93.7Very high10 Ų1066.5 Ų66.55%0.04935%0.345CS..Hα-helixtrans-61.7-44.8175.9-176.7-165.6-56.300112Q12 S13 L14 L18 E19 D20 L60 C63 R64 I67Q12-M16 WeakPolarHBondContact O-CB 3.49Å; Q12-M16 PolarHBondContact O-N 3.23Å; S13-M16 WeakPolarHBondContact O-CB 3.45Å; S13-M16 PolarHBondContact O-N 3.36Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 3.19Å; M16-L18 VanDerWaalsContact C-N 3.33Å; M16-L18 PolarHBondContact O-N 3.42Å; M16-E19 PolarHBondContact O-N 3.19Å; M16-D20 WeakPolarHBondContact O-CB 3.31Å; M16-D20 PolarHBondContact O-N 3.45Å; M16-L60 HydrophobicContact CE-CB 4.23Å; M16-L60 HydrophobicContact CE-CD2 3.87Å; M16-L60 WeakPolarHBondContact CE-O 3.19Å; M16-C63 HydrophobicContact CE-CB 4.19Å; M16-C63 HydrophobicContact SD-CB 3.71Å; M16-R64 HydrophobicContact CE-CG 3.59Å; M16-R64 HydrophobicContact CG-CG 4.12Å; M16-R64 HydrophobicContact SD-CB 4.3Å; M16-R64 HydrophobicContact SD-CG 3.42Å; M16-R64 WeakPolarHBondContact SD-CG 3.3Å; M16-I67 HydrophobicContact CG-CD1 4.04Å; M16-I67 HydrophobicContact SD-CD1 4.03Å
17I96.8Very high94.4Very high51 Ų5164.5 Ų64.526%0.26233%0.331SS..Iπ-helixtrans-59.6-45.2176.7-70.9163.2000110.6S13 L14 A21 V22 F95S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.39Å; S13-I17 PolarHBondContact O-N 3.28Å; L14-I17 PolarHBondContact O-N 3.23Å; I17-A21 HydrophobicContact CG2-CB 4.35Å; I17-A21 CarbonylContact O-C 3.58Å; I17-A21 WeakPolarHBondContact O-CA 3.22Å; I17-A21 WeakPolarHBondContact O-CB 3.08Å; I17-A21 PolarHBondContact O-N 2.94Å; I17-V22 PolarHBondContact O-N 3.35Å; I17-F95 HydrophobicContact CG2-CZ 4.04Å
18L96.6Very high94.7Very high100 Ų10063.4 Ų63.452%0.52433%0.328SS..Iπ-helixtrans-63.1-44.8180-71.5172000112.4L14 T15 M16 V22 K23L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.24Å; L14-L18 PolarHBondContact O-N 3.5Å; T15-L18 PolarHBondContact O-N 3.26Å; M16-L18 VanDerWaalsContact C-N 3.33Å; M16-L18 PolarHBondContact O-N 3.42Å; L18-V22 WeakPolarHBondContact O-CB 3.45Å; L18-K23 WeakPolarHBondContact O-CB 3.17Å; L18-K23 PolarHBondContact O-N 3.29Å
19E96.6Very high95Very high81 Ų8169.5 Ų69.538%0.37935%0.346SS..Iπ-helixtrans-75.4-48.9-179.5-71.1-63.3143.200112.2T15 M16 K23 K24T15-E19 PolarHBondContact O-N 2.93Å; M16-E19 PolarHBondContact O-N 3.19Å; E19-K23 IonicContact OE1-NZ 2.75Å; E19-K23 PolarHBondContact OE1-NZ 2.88Å; E19-K23 WeakPolarHBondContact OE2-CD 3.5Å; E19-K23 IonicContact OE2-NZ 3.15Å; E19-K23 PolarHBondContact OE2-NZ 3.46Å; E19-K24 WeakPolarHBondContact O-CG 3.39Å; E19-K24 PolarHBondContact O-N 3.15Å
20D94.9Very high95.3Very high29 Ų2971.3 Ų71.316%0.15535%0.353CS..Iπ-helixtrans-92.5-37.4-167.8-63.1-36.3000113.5M16 K24 R64 I67M16-D20 WeakPolarHBondContact O-CB 3.31Å; M16-D20 PolarHBondContact O-N 3.45Å; D20-K24 WeakPolarHBondContact OD1-CE 3.22Å; D20-K24 IonicContact OD1-NZ 2.79Å; D20-K24 PolarHBondContact OD1-NZ 2.72Å; D20-R64 IonicContact OD2-NH1 3.9Å; D20-I67 HydrophobicContact CB-CD1 4.5Å; D20-I67 HydrophobicContact CB-CG2 3.86Å
21A95.6Very high95.5Very high32 Ų3272.3 Ų72.326%0.26435%0.353SS..Iπ-helixtrans-99.4-16.8-175.700000114.1I17 A25 I67I17-A21 HydrophobicContact CG2-CB 4.35Å; I17-A21 CarbonylContact O-C 3.58Å; I17-A21 WeakPolarHBondContact O-CA 3.22Å; I17-A21 WeakPolarHBondContact O-CB 3.08Å; I17-A21 PolarHBondContact O-N 2.94Å; A21-A25 WeakPolarHBondContact O-CB 3.46Å; A21-I67 HydrophobicContact CB-CD1 4.29Å; A21-I67 HydrophobicContact CB-CG1 4.37Å; A21-I67 HydrophobicContact CB-CG2 4.01Å
22V95.9Very high95.7Very high32 Ų3265.5 Ų65.519%0.19432%0.323CS..Iπ-helixtrans-108.3-64.1178.2170.80000110.9I17 L18 T26 L86 L91I17-V22 PolarHBondContact O-N 3.35Å; L18-V22 WeakPolarHBondContact O-CB 3.45Å; V22-T26 WeakPolarHBondContact O-CG2 3.32Å; V22-T26 PolarHBondContact O-N 2.85Å; V22-T26 PolarHBondContact O-OG1 2.89Å; V22-L86 HydrophobicContact CB-CD2 4.47Å; V22-L86 HydrophobicContact CG1-CD2 3.69Å; V22-L86 HydrophobicContact CG2-CD2 4.49Å; V22-L91 HydrophobicContact CG2-CD2 4.01Å
23K96.3Very high95.9Very high124 Ų12462.1 Ų62.154%0.53931%0.308SS..Iπ-helixtrans-70.7-52.9-172.8-179.8-178171-167.40112.7L18 E19 T26L18-K23 WeakPolarHBondContact O-CB 3.17Å; L18-K23 PolarHBondContact O-N 3.29Å; E19-K23 IonicContact OE1-NZ 2.75Å; E19-K23 PolarHBondContact OE1-NZ 2.88Å; E19-K23 WeakPolarHBondContact OE2-CD 3.5Å; E19-K23 IonicContact OE2-NZ 3.15Å; E19-K23 PolarHBondContact OE2-NZ 3.46Å; K23-T26 PolarHBondContact O-OG1 2.98Å
24K95.7Very high96.1Very high93 Ų9363.5 Ų63.540%0.40431%0.312SS..G310 helixtrans-65.9-39.9177-73179.1-170.2166.30112.1E19 D20 T26 D27 Q30E19-K24 WeakPolarHBondContact O-CG 3.39Å; E19-K24 PolarHBondContact O-N 3.15Å; D20-K24 WeakPolarHBondContact OD1-CE 3.22Å; D20-K24 IonicContact OD1-NZ 2.79Å; D20-K24 PolarHBondContact OD1-NZ 2.72Å; K24-T26 PolarHBondContact O-N 3.38Å; K24-T26 VanDerWaalsContact O-N 3.16Å; K24-D27 PolarHBondContact O-N 2.98Å; K24-D27 VanDerWaalsContact O-N 3.14Å; K24-Q30 HydrophobicContact CB-CG 4.25Å; K24-Q30 VanDerWaalsContact O-CG 3.3Å; K24-Q30 WeakPolarHBondContact O-CG 3.3Å
25A93.1Very high96.3Very high2 Ų265.7 Ų65.72%0.01732%0.315CS..G310 helixtrans-64.3-20.9-176.500000114A21 K72 T74 H75A21-A25 WeakPolarHBondContact O-CB 3.46Å; A25-K72 HydrophobicContact CB-CB 4.16Å; A25-K72 HydrophobicContact CB-CD 3.92Å; A25-K72 HydrophobicContact CB-CG 4.26Å; A25-T74 VanDerWaalsContact CB-OG1 3.29Å; A25-T74 WeakPolarHBondContact CB-OG1 3.29Å; A25-H75 WeakPolarHBondContact O-CA 3.29Å; A25-H75 VanDerWaalsContact O-CB 3.29Å; A25-H75 WeakPolarHBondContact O-CB 3.42Å; A25-H75 PolarHBondContact O-CD2 2.86Å; A25-H75 PolarHBondContact O-N 3.17Å
26T93.4Very high96.4Very high37 Ų3764.3 Ų64.323%0.22730%0.303CS..G310 helixtrans-102-1.4178.6530000113.5V22 K23 K24 P76 L86V22-T26 WeakPolarHBondContact O-CG2 3.32Å; V22-T26 PolarHBondContact O-N 2.85Å; V22-T26 PolarHBondContact O-OG1 2.89Å; K23-T26 PolarHBondContact O-OG1 2.98Å; K24-T26 PolarHBondContact O-N 3.38Å; K24-T26 VanDerWaalsContact O-N 3.16Å; T26-P76 WeakPolarHBondContact O-CD 3.3Å; T26-L86 HydrophobicContact CG2-CB 4.25Å; T26-L86 HydrophobicContact CG2-CD2 4.24Å
27D95.1Very high96.5Very high39 Ų3965.3 Ų65.321%0.20931%0.311CS..  trans-87.8116.3177.9-177.7-13.1000110.6K24 R29 Q30 H75K24-D27 PolarHBondContact O-N 2.98Å; K24-D27 VanDerWaalsContact O-N 3.14Å; D27-R29 PolarHBondContact O-N 2.79Å; D27-R29 WeakPolarHBondContact OD1-CB 3.37Å; D27-R29 WeakPolarHBondContact OD1-CG 3.36Å; D27-R29 IonicContact OD1-CZ 3.3Å; D27-R29 PolarHBondContact OD1-N 3.09Å; D27-R29 IonicContact OD1-NE 2.65Å; D27-R29 PolarHBondContact OD1-NE 3.49Å; D27-R29 IonicContact OD1-NH2 3.45Å; D27-R29 IonicContact OD2-CZ 2.68Å; D27-R29 IonicContact OD2-NE 3.11Å; D27-R29 PolarHBondContact OD2-NE 2.81Å; D27-R29 IonicContact OD2-NH2 2.74Å; D27-R29 PolarHBondContact OD2-NH2 3.35Å; D27-Q30 HydrophobicContact CB-CG 4.04Å; D27-Q30 WeakPolarHBondContact O-CB 3.26Å; D27-Q30 PolarHBondContact O-N 2.98Å; D27-H75 PolarHBondContact O-NE2 2.64Å
28V94.8Very high96.6Very high73 Ų7366.5 Ų66.544%0.44232%0.322SS..THydrogen-bonded Turntrans-59.3-12.8-178.4-62.20000114.9Q30 H75 P76V28-Q30 VanDerWaalsContact C-N 3.35Å; V28-H75 WeakPolarHBondContact CA-NE2 3.47Å; V28-P76 HydrophobicContact CG1-CB 3.97Å; V28-P76 HydrophobicContact CG1-CG 3.81Å
29R95.4Very high96.6Very high204 Ų20467.1 Ų67.177%0.7732%0.322SS*.THydrogen-bonded Turntrans-83.5-12.7174.9-60.3170.6-66.2-178.43.5112.8D27D27-R29 PolarHBondContact O-N 2.79Å; D27-R29 WeakPolarHBondContact OD1-CB 3.37Å; D27-R29 WeakPolarHBondContact OD1-CG 3.36Å; D27-R29 IonicContact OD1-CZ 3.3Å; D27-R29 PolarHBondContact OD1-N 3.09Å; D27-R29 IonicContact OD1-NE 2.65Å; D27-R29 PolarHBondContact OD1-NE 3.49Å; D27-R29 IonicContact OD1-NH2 3.45Å; D27-R29 IonicContact OD2-CZ 2.68Å; D27-R29 IonicContact OD2-NE 3.11Å; D27-R29 PolarHBondContact OD2-NE 2.81Å; D27-R29 IonicContact OD2-NH2 2.74Å; D27-R29 PolarHBondContact OD2-NH2 3.35Å
30Q97.8Very high96.7Very high93 Ų9368 Ų6844%0.43533%0.326SS..SBendtrans-88.1167.3176.7-59.9-62-46.100110.6K24 D27 V28 H75K24-Q30 HydrophobicContact CB-CG 4.25Å; K24-Q30 VanDerWaalsContact O-CG 3.3Å; K24-Q30 WeakPolarHBondContact O-CG 3.3Å; D27-Q30 HydrophobicContact CB-CG 4.04Å; D27-Q30 WeakPolarHBondContact O-CB 3.26Å; D27-Q30 PolarHBondContact O-N 2.98Å; V28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-H75 PolarHBondContact O-NE2 3.31Å
31K98.2Very high96.9Very high117 Ų11768.9 Ų68.951%0.50933%0.331SS..  trans-80140175.4-66.3-175.7177.2-177.30111C33 G439K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 WeakPolarHBondContact CB-O 3.39Å; K31-G439 CarbonylContact C-O 3.59Å; K31-G439 VanDerWaalsContact CA-O 3.31Å; K31-G439 WeakPolarHBondContact CA-O 3.19Å
32V98.3Very high97Very high0 Ų072.9 Ų72.90%034%0.342CS..SBendtrans-65-36.9169-174.20000111K72 H75 H77 F78 G439 M442V32-K72 WeakPolarHBondContact O-CB 3.5Å; V32-K72 PolarHBondContact O-N 2.95Å; V32-H75 HydrophobicContact CG1-CB 4.45Å; V32-H75 HydrophobicContact CG2-CB 4.32Å; V32-H75 WeakPolarHBondContact CG2-ND1 3.34Å; V32-H77 HydrophobicContact CG2-CB 4.16Å; V32-F78 HydrophobicContact CG1-CB 4.11Å; V32-F78 HydrophobicContact CG1-CD2 4.13Å; V32-G439 PolarHBondContact N-O 2.94Å; V32-M442 HydrophobicContact CG1-CB 4.36Å; V32-M442 HydrophobicContact CG1-CG 3.82Å; V32-M442 HydrophobicContact CG1-SD 4.03Å
33C98.5Very high97Very high6 Ų679.2 Ų79.24%0.04137%0.37CS..  trans-148.7150.7173.860.40000111.4K31 V71 M436 G439 M442K31-C33 VanDerWaalsContact C-N 3.29Å; K31-C33 WeakPolarHBondContact CB-O 3.39Å; C33-V71 HydrophobicContact CB-CG2 4.16Å; C33-M436 PolarHBondContact SG-O 2.85Å; C33-G439 WeakPolarHBondContact O-CA 3.24Å; C33-M442 HydrophobicContact CB-SD 4.28Å
34E98.4Very high97.1Very high51 Ų5176.6 Ų76.624%0.23836%0.361CS..  trans-10590.4166.3-171.5174.2163.300106.8H36 R68 Y69E34-H36 PolarHBondContact O-CD2 3.32Å; E34-H36 IonicContact OE1-NE2 3.73Å; E34-R68 IonicContact OE1-CZ 3.46Å; E34-R68 IonicContact OE1-NE 2.67Å; E34-R68 PolarHBondContact OE1-NE 3.43Å; E34-R68 IonicContact OE1-NH2 3.81Å; E34-R68 PolarHBondContact OE1-NH2 3.07Å; E34-R68 VanDerWaalsContact OE2-CG 3.31Å; E34-R68 WeakPolarHBondContact OE2-CG 3.34Å; E34-R68 IonicContact OE2-CZ 2.9Å; E34-R68 IonicContact OE2-NE 3.83Å; E34-R68 PolarHBondContact OE2-NE 3.28Å; E34-R68 IonicContact OE2-NH2 3.86Å; E34-Y69 HydrophobicContact CG-CD1 4.35Å; E34-Y69 HydrophobicContact CG-CE1 4.49Å
35W98.5Very high97.2Very high130 Ų13074 Ų7449%0.49235%0.352SS..  trans-69.9133.4-174.1174.9-100.4000112.1M436W35-M436 WeakPolarHBondContact CB-O 3.47Å; W35-M436 HydrophobicContact CD2-CE 4.13Å; W35-M436 HydrophobicContact CE3-CE 3.35Å; W35-M436 HydrophobicContact CH2-CE 4.24Å; W35-M436 HydrophobicContact CZ3-CE 3.41Å; W35-M436 VanDerWaalsContact CZ3-CE 3.41Å
36H98.4Very high97.3Very high46 Ų4675.9 Ų75.921%0.21336%0.361CS..  trans-137.1149.9169.7-70.5-82.8000108.4E34 E40 L41 Y69E34-H36 PolarHBondContact O-CD2 3.32Å; E34-H36 IonicContact OE1-NE2 3.73Å; H36-E40 HydrophobicContact CB-CB 4.26Å; H36-L41 HydrophobicContact CB-CB 4.13Å; H36-Y69 AromaticContact CD2-CD1 3.7Å; H36-Y69 AromaticContact CD2-CE1 3.95Å; H36-Y69 AromaticContact NE2-CD1 3.78Å; H36-Y69 AromaticContact NE2-CE1 3.56Å
37S98.3Very high97.5Very high32 Ų3279.3 Ų79.322%0.22438%0.378CS..  trans-64.1158167.963.50000110.9E39 E40 L41S37-E39 PolarHBondContact O-N 3.03Å; S37-E40 WeakPolarHBondContact CB-OE2 3.27Å; S37-E40 PolarHBondContact N-OE2 3.4Å; S37-E40 PolarHBondContact O-N 3.49Å; S37-E40 WeakPolarHBondContact OG-CB 3.42Å; S37-E40 WeakPolarHBondContact OG-CG 3.24Å; S37-E40 PolarHBondContact OG-N 3.12Å; S37-E40 PolarHBondContact OG-OE2 3.19Å; S37-L41 WeakPolarHBondContact O-CB 3.37Å; S37-L41 PolarHBondContact O-N 3.12Å
38P98.4Very high97.6Very high75 Ų7584.2 Ų84.249%0.48740%0.399SS..Hα-helixtrans-56.1-35.1176.3-26.435.9000113.6K42P38-K42 WeakPolarHBondContact O-CD 3.39Å; P38-K42 WeakPolarHBondContact O-CG 3.39Å; P38-K42 PolarHBondContact O-N 3.06Å; P38-K42 VanDerWaalsContact O-N 3.08Å
39E98.1Very high97.7Very high113 Ų11389.1 Ų89.153%0.52842%0.422SS..Hα-helixtrans-68.3-51.9179.2-69.860.2-131.100111.1S37 L41 K42 E43S37-E39 PolarHBondContact O-N 3.03Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 2.68Å; E39-K42 PolarHBondContact O-N 2.84Å; E39-K42 IonicContact OE1-NZ 2.78Å; E39-E43 PolarHBondContact O-N 2.75Å
40E98.1Very high97.8Very high100 Ų10086.3 Ų86.347%0.46741%0.412SS..Hα-helixtrans-58.3-42.5175.7-70.3161.815000111.4H36 S37 K42 E43 L44H36-E40 HydrophobicContact CB-CB 4.26Å; S37-E40 WeakPolarHBondContact CB-OE2 3.27Å; S37-E40 PolarHBondContact N-OE2 3.4Å; S37-E40 PolarHBondContact O-N 3.49Å; S37-E40 WeakPolarHBondContact OG-CB 3.42Å; S37-E40 WeakPolarHBondContact OG-CG 3.24Å; S37-E40 PolarHBondContact OG-N 3.12Å; S37-E40 PolarHBondContact OG-OE2 3.19Å; E40-K42 PolarHBondContact O-N 3.18Å; E40-E43 PolarHBondContact O-N 3.16Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 3.09Å
41L98.1Very high97.8Very high47 Ų4790.6 Ų90.625%0.24644%0.438CS..Hα-helixtrans-70.2-32.1-177.7-168.761.2000112.7H36 S37 E39 E43 L44 L45 Y69H36-L41 HydrophobicContact CB-CB 4.13Å; S37-L41 WeakPolarHBondContact O-CB 3.37Å; S37-L41 PolarHBondContact O-N 3.12Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 2.68Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-L44 HydrophobicContact CD1-CD1 4.43Å; L41-L44 PolarHBondContact O-N 3.43Å; L41-L45 HydrophobicContact CD1-CD1 3.95Å; L41-L45 HydrophobicContact CD1-CG 3.96Å; L41-L45 HydrophobicContact CD2-CD1 4.26Å; L41-L45 HydrophobicContact CG-CD1 3.7Å; L41-L45 HydrophobicContact CG-CG 4.13Å; L41-L45 VanDerWaalsContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 2.98Å; L41-Y69 HydrophobicContact CD1-CD1 4.36Å; L41-Y69 HydrophobicContact CD1-CD2 4Å; L41-Y69 HydrophobicContact CD1-CG 3.76Å
42K98.1Very high97.8Very high116 Ų11689.5 Ų89.550%0.50445%0.445SS..Hα-helixtrans-61.9-42.6172.6-76.8163.1-174.2167.40111.2P38 E39 E40 L45 D46 L47P38-K42 WeakPolarHBondContact O-CD 3.39Å; P38-K42 WeakPolarHBondContact O-CG 3.39Å; P38-K42 PolarHBondContact O-N 3.06Å; P38-K42 VanDerWaalsContact O-N 3.08Å; E39-K42 PolarHBondContact O-N 2.84Å; E39-K42 IonicContact OE1-NZ 2.78Å; E40-K42 PolarHBondContact O-N 3.18Å; K42-L45 PolarHBondContact O-N 2.95Å; K42-D46 PolarHBondContact O-N 3.32Å; K42-L47 HydrophobicContact CG-CD1 4.08Å
43E96.8Very high97.7Very high165 Ų16593.1 Ų93.177%0.77148%0.482SS*.Hα-helixtrans-65.4-43.8177.4-66.5179.8179.600111.4E39 E40 L41 L45E39-E43 PolarHBondContact O-N 2.75Å; E40-E43 PolarHBondContact O-N 3.16Å; L41-E43 VanDerWaalsContact C-N 3.33Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.4Å
44L97.5Very high97.6Very high69 Ų6996 Ų9636%0.36150%0.495SS..Hα-helixtrans-64.1-33.3178.1-70.2170.9000113.2E40 L41 Y69E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 3.09Å; L41-L44 HydrophobicContact CD1-CD1 4.43Å; L41-L44 PolarHBondContact O-N 3.43Å; L44-Y69 HydrophobicContact CB-CE2 4.41Å; L44-Y69 HydrophobicContact CD1-CE1 4.19Å
45L97.6Very high97.4Very high40 Ų4098 Ų9821%0.20951%0.513CS..Hα-helixtrans-94-13.3-171.6-68.8179.3000115L41 K42 E43 L47 R62 D65 Y69L41-L45 HydrophobicContact CD1-CD1 3.95Å; L41-L45 HydrophobicContact CD1-CG 3.96Å; L41-L45 HydrophobicContact CD2-CD1 4.26Å; L41-L45 HydrophobicContact CG-CD1 3.7Å; L41-L45 HydrophobicContact CG-CG 4.13Å; L41-L45 VanDerWaalsContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 2.98Å; K42-L45 PolarHBondContact O-N 2.95Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.4Å; L45-L47 HydrophobicContact CB-CD2 3.62Å; L45-L47 HydrophobicContact CB-CG 3.8Å; L45-L47 HydrophobicContact CD1-CD2 4.03Å; L45-L47 HydrophobicContact CG-CD2 4.48Å; L45-L47 PolarHBondContact O-N 3.06Å; L45-R62 PolarHBondContact O-NH1 2.99Å; L45-D65 HydrophobicContact CD2-CB 3.98Å; L45-Y69 HydrophobicContact CD2-CD2 4.04Å
46D96.1Very high97Very high40 Ų4094.9 Ų94.921%0.21450%0.503CS..THydrogen-bonded Turntrans43.964.2-177.1177.542.4000111.4K42 E48 R50 R62K42-D46 PolarHBondContact O-N 3.32Å; D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.39Å; D46-R50 IonicContact OD1-CZ 2.71Å; D46-R50 IonicContact OD1-NH1 3.67Å; D46-R50 IonicContact OD1-NH2 3.24Å; D46-R50 PolarHBondContact OD1-NH2 2.94Å; D46-R50 IonicContact OD2-NH1 3.74Å; D46-R50 IonicContact OD2-NH2 2.94Å; D46-R62 PolarHBondContact O-NH1 2.99Å; D46-R62 IonicContact OD2-CZ 3.81Å; D46-R62 IonicContact OD2-NH1 3.77Å; D46-R62 IonicContact OD2-NH2 3.48Å; D46-R62 PolarHBondContact OD2-NH2 3.3Å
47L96.9Very high96.7Very high110 Ų11096.2 Ų96.258%0.57652%0.523SS*.  trans-76.5-7.5-166.3-66.5173.9000115.1K42 L45 L49K42-L47 HydrophobicContact CG-CD1 4.08Å; L45-L47 HydrophobicContact CB-CD2 3.62Å; L45-L47 HydrophobicContact CB-CG 3.8Å; L45-L47 HydrophobicContact CD1-CD2 4.03Å; L45-L47 HydrophobicContact CG-CD2 4.48Å; L45-L47 PolarHBondContact O-N 3.06Å; L47-L49 PolarHBondContact O-N 3.28Å
48E97Very high96.6Very high141 Ų14198.1 Ų98.166%0.65953%0.525SS*.  trans-66.3131-176.4-68.1-177.816500111.7D46 R50D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.39Å; E48-R50 IonicContact OE2-NH2 3.93Å
49L97.9Very high96.4Very high177 Ų17797.7 Ų97.793%0.92752%0.518SS*.  trans-88129.1173.5-57179.4000109.2L47L47-L49 PolarHBondContact O-N 3.28Å
50R97.1Very high96.3Very high144 Ų14493.2 Ų93.254%0.54350%0.497SS..  trans-120.1163.7-174.7-59.4-179.2-179.1132.511.7111.2D46 E48 S52D46-R50 IonicContact OD1-CZ 2.71Å; D46-R50 IonicContact OD1-NH1 3.67Å; D46-R50 IonicContact OD1-NH2 3.24Å; D46-R50 PolarHBondContact OD1-NH2 2.94Å; D46-R50 IonicContact OD2-NH1 3.74Å; D46-R50 IonicContact OD2-NH2 2.94Å; E48-R50 IonicContact OE2-NH2 3.93Å; R50-S52 VanDerWaalsContact C-N 3.3Å; R50-S52 PolarHBondContact O-N 3.29Å
51D98.2Very high96.2Very high184 Ų18492.7 Ų92.798%0.98450%0.495SS*.SBendtrans-65.2-30.8-177.8-66-23.7000113.7
52S97.4Very high96.1Very high94 Ų9493.2 Ų93.266%0.65749%0.493SS*.SBendtrans-100.5143.2179.158.70000111.5R50R50-S52 VanDerWaalsContact C-N 3.3Å; R50-S52 PolarHBondContact O-N 3.29Å
53G96.1Very high96.1Very high76 Ų7689.9 Ų89.978%0.78449%0.485SS*.PPolyproline II helixtrans-72.4166.9172.400000112.3
54E96.2Very high96.1Very high66 Ų6688.3 Ų88.331%0.30847%0.471SS..PPolyproline II helixtrans-103.2158.1-179.7-65.3-178.1120.200113.1R58 I59 R62E54-R58 HydrophobicContact CB-CB 4.21Å; E54-R58 HydrophobicContact CB-CG 4.28Å; E54-R58 HydrophobicContact CG-CG 4.44Å; E54-R58 VanDerWaalsContact OE1-CG 3.24Å; E54-R58 WeakPolarHBondContact OE1-CG 3.41Å; E54-R58 IonicContact OE1-NE 3.87Å; E54-I59 HydrophobicContact CB-CD1 4.1Å; E54-R62 VanDerWaalsContact CD-NE 3.34Å; E54-R62 IonicContact OE1-CZ 2.76Å; E54-R62 IonicContact OE1-NE 2.66Å; E54-R62 PolarHBondContact OE1-NE 3.37Å; E54-R62 IonicContact OE1-NH2 2.69Å; E54-R62 PolarHBondContact OE1-NH2 3.15Å; E54-R62 WeakPolarHBondContact OE2-CD 3.13Å; E54-R62 IonicContact OE2-CZ 2.83Å; E54-R62 IonicContact OE2-NE 3.67Å; E54-R62 PolarHBondContact OE2-NE 2.87Å; E54-R62 IonicContact OE2-NH2 3.35Å; E54-R62 PolarHBondContact OE2-NH2 2.97Å
55P94Very high96.1Very high94 Ų9486.2 Ų86.261%0.6146%0.461SS*.PPolyproline II helixtrans-59.9147.4170-21.133.1000112.1A57 R58 I59P55-A57 PolarHBondContact O-N 2.74Å; P55-A57 VanDerWaalsContact O-N 3.16Å; P55-R58 WeakPolarHBondContact O-CA 3.37Å; P55-R58 WeakPolarHBondContact O-CB 3.27Å; P55-R58 PolarHBondContact O-N 2.88Å; P55-I59 PolarHBondContact O-N 3.2Å
56E90.6Very high96.1Very high63 Ų6386.8 Ų86.829%0.29447%0.471SS..Hα-helixtrans-54.2-38.8-178.9-175.9178.1162.600113.5L9 R58 I59 L60L9-E56 HydrophobicContact CD1-CG 4.13Å; E56-R58 PolarHBondContact O-N 3.04Å; E56-I59 WeakPolarHBondContact O-CB 3.38Å; E56-I59 PolarHBondContact O-N 3.43Å; E56-I59 VanDerWaalsContact O-N 3.09Å; E56-L60 HydrophobicContact CG-CD1 4.29Å; E56-L60 PolarHBondContact O-N 2.82Å
57A92.1Very high96.2Very high75 Ų7586.3 Ų86.362%0.6247%0.469SS*.Hα-helixtrans-56.8-38.3176.300000112.1P55 E61P55-A57 PolarHBondContact O-N 2.74Å; P55-A57 VanDerWaalsContact O-N 3.16Å; A57-E61 PolarHBondContact O-N 2.66Å
58R95.7Very high96.2Very high72 Ų7287 Ų8727%0.27246%0.463SS..Hα-helixtrans-73.1-37.2177.1-172.358.6174.71735.5111.6E54 P55 E56 L60 E61 R62E54-R58 HydrophobicContact CB-CB 4.21Å; E54-R58 HydrophobicContact CB-CG 4.28Å; E54-R58 HydrophobicContact CG-CG 4.44Å; E54-R58 VanDerWaalsContact OE1-CG 3.24Å; E54-R58 WeakPolarHBondContact OE1-CG 3.41Å; E54-R58 IonicContact OE1-NE 3.87Å; P55-R58 WeakPolarHBondContact O-CA 3.37Å; P55-R58 WeakPolarHBondContact O-CB 3.27Å; P55-R58 PolarHBondContact O-N 2.88Å; E56-R58 PolarHBondContact O-N 3.04Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.37Å; R58-E61 VanDerWaalsContact CD-OE2 3.27Å; R58-E61 WeakPolarHBondContact CD-OE2 3.43Å; R58-E61 IonicContact CZ-OE2 3.05Å; R58-E61 IonicContact NE-OE2 3.49Å; R58-E61 IonicContact NH1-OE1 3.65Å; R58-E61 PolarHBondContact NH1-OE1 2.51Å; R58-E61 IonicContact NH1-OE2 3.4Å; R58-E61 PolarHBondContact NH1-OE2 3.22Å; R58-E61 WeakPolarHBondContact O-CB 3.27Å; R58-E61 PolarHBondContact O-N 2.75Å; R58-R62 WeakPolarHBondContact O-CG 3.39Å; R58-R62 PolarHBondContact O-N 3.26Å
59I95.4Very high96.2Very high65 Ų6582 Ų8233%0.33344%0.439SS..Hα-helixtrans-61-44173-60.7-58.2000111.3E54 P55 E56 E61 R62 C63E54-I59 HydrophobicContact CB-CD1 4.1Å; P55-I59 PolarHBondContact O-N 3.2Å; E56-I59 WeakPolarHBondContact O-CB 3.38Å; E56-I59 PolarHBondContact O-N 3.43Å; E56-I59 VanDerWaalsContact O-N 3.09Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.34Å; I59-R62 WeakPolarHBondContact O-CB 3.5Å; I59-R62 PolarHBondContact O-N 3.06Å; I59-C63 PolarHBondContact O-N 3.25Å; I59-C63 PolarHBondContact O-SG 3.35Å; I59-C63 VanDerWaalsContact O-SG 3.32Å
60L94.9Very high96.3Very high20 Ų2076.7 Ų76.711%0.10542%0.417CS..Hα-helixtrans-65-37.1176.1-71.5167.6000112.3L9 Q12 M16 E56 R58 C63 R64L9-L60 HydrophobicContact CD1-CD2 3.75Å; L9-L60 HydrophobicContact CD1-CG 4.12Å; Q12-L60 HydrophobicContact CB-CD2 4.21Å; M16-L60 HydrophobicContact CE-CB 4.23Å; M16-L60 HydrophobicContact CE-CD2 3.87Å; M16-L60 WeakPolarHBondContact CE-O 3.19Å; E56-L60 HydrophobicContact CG-CD1 4.29Å; E56-L60 PolarHBondContact O-N 2.82Å; R58-L60 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 3.37Å; L60-C63 WeakPolarHBondContact O-CB 3.34Å; L60-C63 PolarHBondContact O-N 3.08Å; L60-R64 WeakPolarHBondContact O-CG 3.32Å; L60-R64 PolarHBondContact O-N 3.02Å
61E96Very high96.3Very high88 Ų8872.8 Ų72.841%0.41141%0.408SS..Hα-helixtrans-61.3-47.3172.2-169.6-179.6-172.700110.9A57 R58 I59 C63 R64 D65A57-E61 PolarHBondContact O-N 2.66Å; R58-E61 VanDerWaalsContact CD-OE2 3.27Å; R58-E61 WeakPolarHBondContact CD-OE2 3.43Å; R58-E61 IonicContact CZ-OE2 3.05Å; R58-E61 IonicContact NE-OE2 3.49Å; R58-E61 IonicContact NH1-OE1 3.65Å; R58-E61 PolarHBondContact NH1-OE1 2.51Å; R58-E61 IonicContact NH1-OE2 3.4Å; R58-E61 PolarHBondContact NH1-OE2 3.22Å; R58-E61 WeakPolarHBondContact O-CB 3.27Å; R58-E61 PolarHBondContact O-N 2.75Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.34Å; E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 3.31Å; E61-R64 CarbonylContact O-C 3.6Å; E61-R64 WeakPolarHBondContact O-CA 3.42Å; E61-R64 WeakPolarHBondContact O-CB 3.32Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-D65 PolarHBondContact O-N 3.36Å
62R97Very high96.3Very high58 Ų5865.5 Ų65.522%0.21937%0.368CS..Hα-helixtrans-58-38.2174-69.6-175.8-174.6-81.24.9112.7L45 D46 E54 R58 I59 D65 A66L45-R62 PolarHBondContact O-NH1 2.99Å; D46-R62 PolarHBondContact O-NH1 2.99Å; D46-R62 IonicContact OD2-CZ 3.81Å; D46-R62 IonicContact OD2-NH1 3.77Å; D46-R62 IonicContact OD2-NH2 3.48Å; D46-R62 PolarHBondContact OD2-NH2 3.3Å; E54-R62 VanDerWaalsContact CD-NE 3.34Å; E54-R62 IonicContact OE1-CZ 2.76Å; E54-R62 IonicContact OE1-NE 2.66Å; E54-R62 PolarHBondContact OE1-NE 3.37Å; E54-R62 IonicContact OE1-NH2 2.69Å; E54-R62 PolarHBondContact OE1-NH2 3.15Å; E54-R62 WeakPolarHBondContact OE2-CD 3.13Å; E54-R62 IonicContact OE2-CZ 2.83Å; E54-R62 IonicContact OE2-NE 3.67Å; E54-R62 PolarHBondContact OE2-NE 2.87Å; E54-R62 IonicContact OE2-NH2 3.35Å; E54-R62 PolarHBondContact OE2-NH2 2.97Å; R58-R62 WeakPolarHBondContact O-CG 3.39Å; R58-R62 PolarHBondContact O-N 3.26Å; I59-R62 WeakPolarHBondContact O-CB 3.5Å; I59-R62 PolarHBondContact O-N 3.06Å; R62-D65 PolarHBondContact O-N 3.27Å; R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.34Å
63C97Very high96.3Very high47 Ų4763 Ų6332%0.31835%0.349SS..Hα-helixtrans-62.3-43172.8-670000112.1M16 I59 L60 E61 I67M16-C63 HydrophobicContact CE-CB 4.19Å; M16-C63 HydrophobicContact SD-CB 3.71Å; I59-C63 PolarHBondContact O-N 3.25Å; I59-C63 PolarHBondContact O-SG 3.35Å; I59-C63 VanDerWaalsContact O-SG 3.32Å; L60-C63 WeakPolarHBondContact O-CB 3.34Å; L60-C63 PolarHBondContact O-N 3.08Å; E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 3.31Å; C63-I67 WeakPolarHBondContact O-CG1 3.44Å; C63-I67 PolarHBondContact O-N 3.47Å; C63-I67 VanDerWaalsContact O-N 3.12Å
64R96.4Very high96.4Very high131 Ų13160.4 Ų60.449%0.49432%0.318SS..Hα-helixtrans-64.7-43.3176.3-68.6-178.2-158.8-86.93.5111.5M16 D20 L60 E61 I67 R68M16-R64 HydrophobicContact CE-CG 3.59Å; M16-R64 HydrophobicContact CG-CG 4.12Å; M16-R64 HydrophobicContact SD-CB 4.3Å; M16-R64 HydrophobicContact SD-CG 3.42Å; M16-R64 WeakPolarHBondContact SD-CG 3.3Å; D20-R64 IonicContact OD2-NH1 3.9Å; L60-R64 WeakPolarHBondContact O-CG 3.32Å; L60-R64 PolarHBondContact O-N 3.02Å; E61-R64 CarbonylContact O-C 3.6Å; E61-R64 WeakPolarHBondContact O-CA 3.42Å; E61-R64 WeakPolarHBondContact O-CB 3.32Å; E61-R64 PolarHBondContact O-N 3.19Å; R64-I67 PolarHBondContact O-N 2.82Å; R64-R68 VanDerWaalsContact O-CB 3.24Å; R64-R68 WeakPolarHBondContact O-CB 3.43Å; R64-R68 PolarHBondContact O-N 2.88Å
65D97.7Very high96.4Very high25 Ų2557.4 Ų57.413%0.13430%0.304CS..Hα-helixtrans-64.3-43179.5-69.6-25.1000111.2L45 E61 R62 I67 R68 Y69L45-D65 HydrophobicContact CD2-CB 3.98Å; E61-D65 PolarHBondContact O-N 3.36Å; R62-D65 PolarHBondContact O-N 3.27Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 2.86Å; D65-R68 PolarHBondContact O-N 3.23Å; D65-Y69 HydrophobicContact CB-CD2 4.05Å; D65-Y69 HydrophobicContact CB-CE2 3.96Å; D65-Y69 WeakPolarHBondContact O-CD2 3.19Å; D65-Y69 PolarHBondContact O-N 3.28Å
66A98.1Very high96.5Very high53 Ų5353.3 Ų53.344%0.43828%0.277SS..Hα-helixtrans-57.2-44173.800000111.6R62 S70R62-A66 WeakPolarHBondContact O-CB 3.44Å; R62-A66 PolarHBondContact O-N 3.34Å; A66-S70 WeakPolarHBondContact O-CB 3.31Å; A66-S70 PolarHBondContact O-N 3.28Å; A66-S70 PolarHBondContact O-OG 2.91Å
67I97.8Very high96.8Very high30 Ų3050.9 Ų50.915%0.15427%0.266CS..Hα-helixtrans-67.9-47.5176.3-66166.8000110.8M16 D20 A21 C63 R64 D65 S70 K72M16-I67 HydrophobicContact CG-CD1 4.04Å; M16-I67 HydrophobicContact SD-CD1 4.03Å; D20-I67 HydrophobicContact CB-CD1 4.5Å; D20-I67 HydrophobicContact CB-CG2 3.86Å; A21-I67 HydrophobicContact CB-CD1 4.29Å; A21-I67 HydrophobicContact CB-CG1 4.37Å; A21-I67 HydrophobicContact CB-CG2 4.01Å; C63-I67 WeakPolarHBondContact O-CG1 3.44Å; C63-I67 PolarHBondContact O-N 3.47Å; C63-I67 VanDerWaalsContact O-N 3.12Å; R64-I67 PolarHBondContact O-N 2.82Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 2.86Å; I67-S70 PolarHBondContact O-N 2.81Å; I67-K72 WeakPolarHBondContact O-CE 3.2Å; I67-K72 PolarHBondContact O-NZ 3.29Å
68R97.3Very high97.1Very high124 Ų12447.6 Ų47.647%0.46824%0.238SC..Hα-helixtrans-58.7-54.3-174.5178.6176.3176.4-178.1-8.4111.3E34 R64 D65 K72E34-R68 IonicContact OE1-CZ 3.46Å; E34-R68 IonicContact OE1-NE 2.67Å; E34-R68 PolarHBondContact OE1-NE 3.43Å; E34-R68 IonicContact OE1-NH2 3.81Å; E34-R68 PolarHBondContact OE1-NH2 3.07Å; E34-R68 VanDerWaalsContact OE2-CG 3.31Å; E34-R68 WeakPolarHBondContact OE2-CG 3.34Å; E34-R68 IonicContact OE2-CZ 2.9Å; E34-R68 IonicContact OE2-NE 3.83Å; E34-R68 PolarHBondContact OE2-NE 3.28Å; E34-R68 IonicContact OE2-NH2 3.86Å; R64-R68 VanDerWaalsContact O-CB 3.24Å; R64-R68 WeakPolarHBondContact O-CB 3.43Å; R64-R68 PolarHBondContact O-N 2.88Å; D65-R68 PolarHBondContact O-N 3.23Å; R68-K72 PolarHBondContact O-NZ 2.82Å
69Y98.4Very high97.2Very high36 Ų3644.3 Ų44.314%0.14123%0.225CC..Hα-helixtrans-84.5-9.7-174.2-56.6-57.9000113.9E34 H36 L41 L44 L45 D65E34-Y69 HydrophobicContact CG-CD1 4.35Å; E34-Y69 HydrophobicContact CG-CE1 4.49Å; H36-Y69 AromaticContact CD2-CD1 3.7Å; H36-Y69 AromaticContact CD2-CE1 3.95Å; H36-Y69 AromaticContact NE2-CD1 3.78Å; H36-Y69 AromaticContact NE2-CE1 3.56Å; L41-Y69 HydrophobicContact CD1-CD1 4.36Å; L41-Y69 HydrophobicContact CD1-CD2 4Å; L41-Y69 HydrophobicContact CD1-CG 3.76Å; L44-Y69 HydrophobicContact CB-CE2 4.41Å; L44-Y69 HydrophobicContact CD1-CE1 4.19Å; L45-Y69 HydrophobicContact CD2-CD2 4.04Å; D65-Y69 HydrophobicContact CB-CD2 4.05Å; D65-Y69 HydrophobicContact CB-CE2 3.96Å; D65-Y69 WeakPolarHBondContact O-CD2 3.19Å; D65-Y69 PolarHBondContact O-N 3.28Å
70S98.5Very high97.4Very high66 Ų6642.2 Ų42.246%0.46222%0.215SC..SBendtrans-73.5148.9171.1-70.90000112.4A66 I67 K72A66-S70 WeakPolarHBondContact O-CB 3.31Å; A66-S70 PolarHBondContact O-N 3.28Å; A66-S70 PolarHBondContact O-OG 2.91Å; I67-S70 PolarHBondContact O-N 2.81Å; S70-K72 PolarHBondContact O-NZ 2.84Å
71V98.5Very high97.5Very high61 Ų6145 Ų4537%0.3723%0.227SC..  trans-63.2135.1171177.20000110.5C33 T73 F78 M442C33-V71 HydrophobicContact CB-CG2 4.16Å; V71-T73 HydrophobicContact CG1-CG2 4.18Å; V71-T73 PolarHBondContact O-N 3.08Å; V71-T73 VanDerWaalsContact O-N 3.16Å; V71-F78 HydrophobicContact CG1-CD2 3.93Å; V71-F78 HydrophobicContact CG1-CE2 3.74Å; V71-M442 HydrophobicContact CG1-SD 3.58Å; V71-M442 VanDerWaalsContact CG1-SD 3.58Å; V71-M442 HydrophobicContact CG2-SD 4.18Å
72K98.1Very high97.6Very high31 Ų3141.4 Ų41.414%0.13521%0.211CC..  trans-8679.3176.5-53.2-53.8179.6-68.10109.9A25 V32 I67 R68 S70 T74 H75A25-K72 HydrophobicContact CB-CB 4.16Å; A25-K72 HydrophobicContact CB-CD 3.92Å; A25-K72 HydrophobicContact CB-CG 4.26Å; V32-K72 WeakPolarHBondContact O-CB 3.5Å; V32-K72 PolarHBondContact O-N 2.95Å; I67-K72 WeakPolarHBondContact O-CE 3.2Å; I67-K72 PolarHBondContact O-NZ 3.29Å; R68-K72 PolarHBondContact O-NZ 2.82Å; S70-K72 PolarHBondContact O-NZ 2.84Å; K72-T74 PolarHBondContact O-N 2.96Å; K72-T74 VanDerWaalsContact O-N 3.13Å; K72-H75 HydrophobicContact CB-CB 4.11Å; K72-H75 WeakPolarHBondContact O-CB 3.4Å; K72-H75 PolarHBondContact O-N 3.41Å
73T97.6Very high97.7Very high43 Ų4342.2 Ų42.226%0.26422%0.215SC..THydrogen-bonded Turntrans-65.1-14.6-178.659.30000113.9V71 F78 Y83 G85V71-T73 HydrophobicContact CG1-CG2 4.18Å; V71-T73 PolarHBondContact O-N 3.08Å; V71-T73 VanDerWaalsContact O-N 3.16Å; T73-F78 HydrophobicContact CG2-CE1 4Å; T73-F78 HydrophobicContact CG2-CE2 4.19Å; T73-F78 HydrophobicContact CG2-CZ 3.8Å; T73-F78 WeakPolarHBondContact O-CD1 3.3Å; T73-Y83 HydrophobicContact CG2-CE2 3.99Å; T73-G85 PolarHBondContact O-N 3Å
74T96.7Very high97.7Very high21 Ų2140.4 Ų40.413%0.12920%0.203CC..THydrogen-bonded Turntrans-83.5-11.1174.253.10000113.3A25 K72 L86A25-T74 VanDerWaalsContact CB-OG1 3.29Å; A25-T74 WeakPolarHBondContact CB-OG1 3.29Å; K72-T74 PolarHBondContact O-N 2.96Å; K72-T74 VanDerWaalsContact O-N 3.13Å; T74-L86 HydrophobicContact CG2-CB 3.77Å; T74-L86 HydrophobicContact CG2-CD1 4.17Å
75H97.5Very high97.6Very high2 Ų234.9 Ų34.91%0.00919%0.186CC..SBendtrans-66.4138.7-177.1-167.5-85.3000111.8A25 D27 V28 Q30 V32 K72 H77 F78A25-H75 WeakPolarHBondContact O-CA 3.29Å; A25-H75 VanDerWaalsContact O-CB 3.29Å; A25-H75 WeakPolarHBondContact O-CB 3.42Å; A25-H75 PolarHBondContact O-CD2 2.86Å; A25-H75 PolarHBondContact O-N 3.17Å; D27-H75 PolarHBondContact O-NE2 2.64Å; V28-H75 WeakPolarHBondContact CA-NE2 3.47Å; Q30-H75 PolarHBondContact O-NE2 3.31Å; V32-H75 HydrophobicContact CG1-CB 4.45Å; V32-H75 HydrophobicContact CG2-CB 4.32Å; V32-H75 WeakPolarHBondContact CG2-ND1 3.34Å; K72-H75 HydrophobicContact CB-CB 4.11Å; K72-H75 WeakPolarHBondContact O-CB 3.4Å; K72-H75 PolarHBondContact O-N 3.41Å; H75-H77 AromaticContact CE1-CG 3.87Å; H75-H77 AromaticContact CE1-ND1 3.74Å; H75-H77 PolarHBondContact ND1-N 3.34Å; H75-H77 PolarHBondContact O-N 3.11Å; H75-H77 VanDerWaalsContact O-N 3.15Å; H75-F78 HydrophobicContact CB-CB 4.39Å; H75-F78 WeakPolarHBondContact O-CB 3.48Å; H75-F78 PolarHBondContact O-N 3.08Å
76P95.3Very high97.4Very high8 Ų834.9 Ų34.95%0.05219%0.187CC..THydrogen-bonded Turntrans-58-28.8179.5-28.236.6000114.7T26 V28 F79T26-P76 WeakPolarHBondContact O-CD 3.3Å; V28-P76 HydrophobicContact CG1-CB 3.97Å; V28-P76 HydrophobicContact CG1-CG 3.81Å; P76-F79 VanDerWaalsContact O-CE1 3.27Å; P76-F79 WeakPolarHBondContact O-CE1 3.34Å; P76-F79 WeakPolarHBondContact O-CZ 3.24Å
77H97.5Very high97.3Very high12 Ų1232.6 Ų32.66%0.05617%0.167CC..THydrogen-bonded Turntrans-92.116.5175.4-53.3156.1000115V32 H75 F79 M441 M442 D468 F471V32-H77 HydrophobicContact CG2-CB 4.16Å; H75-H77 AromaticContact CE1-CG 3.87Å; H75-H77 AromaticContact CE1-ND1 3.74Å; H75-H77 PolarHBondContact ND1-N 3.34Å; H75-H77 PolarHBondContact O-N 3.11Å; H75-H77 VanDerWaalsContact O-N 3.15Å; H77-F79 HydrophobicContact CB-CE2 4.28Å; H77-M441 HydrophobicContact CB-CB 3.98Å; H77-M441 WeakPolarHBondContact O-CA 3.34Å; H77-M442 PolarHBondContact O-N 2.91Å; H77-M442 VanDerWaalsContact O-N 3.13Å; H77-D468 IonicContact CD2-OD1 3Å; H77-D468 PolarHBondContact CD2-OD1 3.3Å; H77-D468 IonicContact CE1-OD1 3.31Å; H77-D468 IonicContact NE2-OD1 2.75Å; H77-D468 PolarHBondContact NE2-OD1 3.15Å; H77-F471 HydrophobicContact CB-CE1 4.44Å; H77-F471 AromaticContact CE1-CD1 3.47Å; H77-F471 VanDerWaalsContact CE1-CD1 3.47Å; H77-F471 WeakPolarHBondContact CE1-CD1 3.36Å; H77-F471 AromaticContact CE1-CE1 3.55Å; H77-F471 AromaticContact CG-CD1 3.95Å; H77-F471 AromaticContact CG-CE1 3.82Å; H77-F471 AromaticContact ND1-CD1 3.63Å; H77-F471 AromaticContact ND1-CE1 3.28Å; H77-F471 VanDerWaalsContact ND1-CE1 3.28Å; H77-F471 WeakPolarHBondContact ND1-CE1 3.45Å; H77-F471 AromaticContact NE2-CD1 3.75Å
78F98.3Very high97.3Very high6 Ų634.3 Ų34.33%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-92.3109.7169.4179.3-99.2000110.7V32 V71 T73 H75 N80 Q81 Y83 A84 M442V32-F78 HydrophobicContact CG1-CB 4.11Å; V32-F78 HydrophobicContact CG1-CD2 4.13Å; V71-F78 HydrophobicContact CG1-CD2 3.93Å; V71-F78 HydrophobicContact CG1-CE2 3.74Å; T73-F78 HydrophobicContact CG2-CE1 4Å; T73-F78 HydrophobicContact CG2-CE2 4.19Å; T73-F78 HydrophobicContact CG2-CZ 3.8Å; T73-F78 WeakPolarHBondContact O-CD1 3.3Å; H75-F78 HydrophobicContact CB-CB 4.39Å; H75-F78 WeakPolarHBondContact O-CB 3.48Å; H75-F78 PolarHBondContact O-N 3.08Å; F78-N80 HydrophobicContact CD2-CB 4.26Å; F78-N80 HydrophobicContact CE2-CB 3.64Å; F78-N80 HydrophobicContact CZ-CB 3.9Å; F78-Q81 HydrophobicContact CE1-CB 4.26Å; F78-Q81 HydrophobicContact CE1-CG 4.34Å; F78-Q81 HydrophobicContact CZ-CB 4.22Å; F78-Q81 HydrophobicContact CZ-CG 3.81Å; F78-Y83 HydrophobicContact CE1-CE2 4.49Å; F78-Y83 WeakPolarHBondContact CE1-O 3.49Å; F78-A84 HydrophobicContact CD1-CB 3.88Å; F78-A84 HydrophobicContact CE1-CB 4.46Å; F78-A84 WeakPolarHBondContact O-CB 3.37Å; F78-M442 HydrophobicContact CD2-CB 4.11Å; F78-M442 HydrophobicContact CD2-SD 4.16Å; F78-M442 HydrophobicContact CE2-CB 4.49Å; F78-M442 HydrophobicContact CE2-SD 4.18Å
79F98Very high97.3Very high3 Ų333.5 Ų33.51%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-129.116.8-176.2-56.6-62.2000113.1P76 H77 Q81 M442 V443 M457 V464 M469 V472P76-F79 VanDerWaalsContact O-CE1 3.27Å; P76-F79 WeakPolarHBondContact O-CE1 3.34Å; P76-F79 WeakPolarHBondContact O-CZ 3.24Å; H77-F79 HydrophobicContact CB-CE2 4.28Å; F79-Q81 PolarHBondContact O-N 2.82Å; F79-M442 CarbonylContact C-O 3.49Å; F79-M442 VanDerWaalsContact C-O 3.26Å; F79-M442 WeakPolarHBondContact CA-O 3.5Å; F79-M442 PolarHBondContact N-O 2.97Å; F79-V443 HydrophobicContact CB-CG2 4.26Å; F79-V443 HydrophobicContact CD2-CG2 4.31Å; F79-M457 HydrophobicContact CB-CE 4.18Å; F79-M457 HydrophobicContact CB-SD 3.28Å; F79-M457 WeakPolarHBondContact CB-SD 3.15Å; F79-M457 HydrophobicContact CD1-CE 3.25Å; F79-M457 HydrophobicContact CD1-SD 3.53Å; F79-M457 VanDerWaalsContact CD1-SD 3.53Å; F79-M457 HydrophobicContact CD2-CE 4.46Å; F79-M457 HydrophobicContact CD2-SD 3.91Å; F79-M457 HydrophobicContact CE1-CE 3.58Å; F79-M457 HydrophobicContact CE1-SD 4.26Å; F79-M457 HydrophobicContact CG-CE 3.73Å; F79-M457 HydrophobicContact CG-SD 3.3Å; F79-M457 WeakPolarHBondContact CG-SD 3.37Å; F79-M457 HydrophobicContact CZ-CE 4.31Å; F79-V464 HydrophobicContact CE1-CG1 4.36Å; F79-V464 HydrophobicContact CE1-CG2 3.81Å; F79-V464 HydrophobicContact CZ-CG1 4.42Å; F79-V464 HydrophobicContact CZ-CG2 4.26Å; F79-M469 HydrophobicContact CE1-CE 3.81Å; F79-M469 HydrophobicContact CE2-CE 4.15Å; F79-M469 HydrophobicContact CZ-CE 3.42Å; F79-M469 VanDerWaalsContact CZ-CE 3.42Å; F79-V472 HydrophobicContact CD2-CG2 3.86Å; F79-V472 HydrophobicContact CE2-CG2 3.38Å; F79-V472 HydrophobicContact CZ-CG2 4.28Å
80N98.2Very high97.3Very high21 Ų2131.8 Ų31.811%0.11217%0.171CC..SBendtrans-76.3-26.4-167.5-163.592.1000112.8F78 K432 M442 R456F78-N80 HydrophobicContact CD2-CB 4.26Å; F78-N80 HydrophobicContact CE2-CB 3.64Å; F78-N80 HydrophobicContact CZ-CB 3.9Å; N80-K432 PolarHBondContact OD1-NZ 2.61Å; N80-M442 HydrophobicContact CB-CB 3.97Å; N80-M442 PolarHBondContact N-O 3.35Å; N80-R456 PolarHBondContact O-NH2 2.97Å
81Q98.1Very high97.3Very high78 Ų7830.5 Ų30.536%0.36416%0.158SC..SBendtrans-128.4169.5-168.1-58.9-61.4-12.800111.7F78 F79 Y83F78-Q81 HydrophobicContact CE1-CB 4.26Å; F78-Q81 HydrophobicContact CE1-CG 4.34Å; F78-Q81 HydrophobicContact CZ-CB 4.22Å; F78-Q81 HydrophobicContact CZ-CG 3.81Å; F79-Q81 PolarHBondContact O-N 2.82Å; Q81-Y83 HydrophobicContact CB-CD1 3.61Å; Q81-Y83 HydrophobicContact CB-CE1 3.51Å; Q81-Y83 HydrophobicContact CB-CG 4.41Å; Q81-Y83 HydrophobicContact CG-CD1 4.37Å; Q81-Y83 HydrophobicContact CG-CE1 3.75Å; Q81-Y83 PolarHBondContact O-N 3.44Å; Q81-Y83 VanDerWaalsContact O-N 3.12Å
82L98.3Very high97.2Very high14 Ų1431.1 Ų31.17%0.07316%0.162CC..SBendtrans-78.824.4171.6-58177.5000112.9T238 W266 K295 V458 I460L82-T238 HydrophobicContact CD1-CG2 4Å; L82-W266 HydrophobicContact CB-CD2 4.44Å; L82-W266 HydrophobicContact CB-CE3 4.21Å; L82-W266 HydrophobicContact CB-CZ3 4.39Å; L82-W266 HydrophobicContact CD1-CB 4.36Å; L82-W266 HydrophobicContact CD1-CD2 4.36Å; L82-W266 HydrophobicContact CD1-CG 4.14Å; L82-W266 HydrophobicContact CD2-CD2 3.99Å; L82-W266 HydrophobicContact CD2-CE3 4.49Å; L82-W266 HydrophobicContact CD2-CG 4.37Å; L82-W266 HydrophobicContact CD2-CH2 4.48Å; L82-W266 HydrophobicContact CD2-CZ2 4.01Å; L82-K295 HydrophobicContact CB-CD 3.94Å; L82-K295 HydrophobicContact CB-CG 4.42Å; L82-K295 HydrophobicContact CD1-CD 4.4Å; L82-K295 WeakPolarHBondContact O-CA 3.29Å; L82-K295 WeakPolarHBondContact O-CB 3.16Å; L82-K295 VanDerWaalsContact O-CG 3.23Å; L82-K295 WeakPolarHBondContact O-CG 3.13Å; L82-V458 HydrophobicContact CD2-CB 4.47Å; L82-V458 HydrophobicContact CD2-CG1 3.79Å; L82-V458 HydrophobicContact CD2-CG2 3.84Å; L82-I460 WeakPolarHBondContact O-CD1 3.05Å
83Y98Very high97.3Very high75 Ų7529.7 Ų29.729%0.29416%0.156SC..  trans-148.3144.3169.970.5-85.9000107.2T73 F78 Q81 H294 L301 I460T73-Y83 HydrophobicContact CG2-CE2 3.99Å; F78-Y83 HydrophobicContact CE1-CE2 4.49Å; F78-Y83 WeakPolarHBondContact CE1-O 3.49Å; Q81-Y83 HydrophobicContact CB-CD1 3.61Å; Q81-Y83 HydrophobicContact CB-CE1 3.51Å; Q81-Y83 HydrophobicContact CB-CG 4.41Å; Q81-Y83 HydrophobicContact CG-CD1 4.37Å; Q81-Y83 HydrophobicContact CG-CE1 3.75Å; Q81-Y83 PolarHBondContact O-N 3.44Å; Q81-Y83 VanDerWaalsContact O-N 3.12Å; Y83-H294 WeakPolarHBondContact CB-O 3.37Å; Y83-L301 HydrophobicContact CD1-CD1 3.94Å; Y83-L301 HydrophobicContact CD2-CD1 3.78Å; Y83-L301 HydrophobicContact CE1-CD1 3.84Å; Y83-L301 HydrophobicContact CE2-CD1 3.68Å; Y83-L301 HydrophobicContact CG-CD1 3.91Å; Y83-I460 VanDerWaalsContact CA-CD1 3.49Å
84A97.1Very high97.3Very high8 Ų828.6 Ų28.67%0.06615%0.15CC..  trans-166.3165.317800000110.2F78 I460F78-A84 HydrophobicContact CD1-CB 3.88Å; F78-A84 HydrophobicContact CE1-CB 4.46Å; F78-A84 WeakPolarHBondContact O-CB 3.37Å; A84-I460 HydrophobicContact CB-CB 4.43Å
85G95.3Very high97.3Very high15 Ų1531.4 Ų31.416%0.15516%0.161CC..SBendtrans79.5176.8173.800000113.8T73T73-G85 PolarHBondContact O-N 3Å
86L93.7Very high97.4Very high26 Ų2634.5 Ų34.514%0.13618%0.177CC..  trans-116.6126.1-178.8175.366.1000110.3V22 T26 T74 L91V22-L86 HydrophobicContact CB-CD2 4.47Å; V22-L86 HydrophobicContact CG1-CD2 3.69Å; V22-L86 HydrophobicContact CG2-CD2 4.49Å; T26-L86 HydrophobicContact CG2-CB 4.25Å; T26-L86 HydrophobicContact CG2-CD2 4.24Å; T74-L86 HydrophobicContact CG2-CB 3.77Å; T74-L86 HydrophobicContact CG2-CD1 4.17Å; L86-L91 HydrophobicContact CD1-CB 4.35Å; L86-L91 HydrophobicContact CD1-CD2 3.78Å
87E96.1Very high97.5Very high5 Ų534.6 Ų34.62%0.02318%0.177CC..  trans-110.5101.8167.6-17937.1-103.600109.8Y89 S90 L91 M298 M358 R370E87-Y89 VanDerWaalsContact C-N 3.3Å; E87-Y89 PolarHBondContact O-N 3.29Å; E87-Y89 WeakPolarHBondContact OE1-CB 3.21Å; E87-Y89 WeakPolarHBondContact OE1-CD2 3.43Å; E87-Y89 PolarHBondContact OE1-N 2.97Å; E87-S90 PolarHBondContact O-N 2.92Å; E87-S90 VanDerWaalsContact O-N 3.11Å; E87-L91 PolarHBondContact O-N 3.16Å; E87-M298 HydrophobicContact CB-CB 4.13Å; E87-M298 HydrophobicContact CB-CE 4.49Å; E87-M298 WeakPolarHBondContact CB-O 3.34Å; E87-M358 HydrophobicContact CB-SD 4.5Å; E87-M358 HydrophobicContact CG-CB 4.46Å; E87-M358 HydrophobicContact CG-CG 3.63Å; E87-M358 HydrophobicContact CG-SD 3.54Å; E87-M358 VanDerWaalsContact CG-SD 3.54Å; E87-R370 IonicContact OE2-CZ 2.64Å; E87-R370 IonicContact OE2-NH1 3.6Å; E87-R370 PolarHBondContact OE2-NH1 2.9Å; E87-R370 IonicContact OE2-NH2 3.11Å; E87-R370 PolarHBondContact OE2-NH2 3.33Å
88P96.5Very high97.5Very high66 Ų6638.2 Ų38.243%0.42920%0.197SC..Hα-helixtrans-59.4-36.2-172.723.2-35000113.4S90 L91 V92P88-S90 VanDerWaalsContact C-N 3.32Å; P88-S90 PolarHBondContact O-N 2.71Å; P88-L91 PolarHBondContact O-N 3.43Å; P88-V92 WeakPolarHBondContact O-CG2 3.36Å; P88-V92 PolarHBondContact O-N 2.65Å
89Y98.2Very high97.5Very high107 Ų10741.6 Ų41.642%0.4223%0.226SC..Hα-helixtrans-66.7-38.2178.6-55.8-60.3000111.3E87 A93 A361 L362E87-Y89 VanDerWaalsContact C-N 3.3Å; E87-Y89 PolarHBondContact O-N 3.29Å; E87-Y89 WeakPolarHBondContact OE1-CB 3.21Å; E87-Y89 WeakPolarHBondContact OE1-CD2 3.43Å; E87-Y89 PolarHBondContact OE1-N 2.97Å; Y89-A93 PolarHBondContact O-N 3.5Å; Y89-A93 VanDerWaalsContact O-N 3.15Å; Y89-A361 HydrophobicContact CD1-CB 3.69Å; Y89-A361 HydrophobicContact CD2-CB 3.39Å; Y89-A361 HydrophobicContact CE1-CB 3.8Å; Y89-A361 HydrophobicContact CE2-CB 3.53Å; Y89-A361 HydrophobicContact CG-CB 3.51Å; Y89-L362 HydrophobicContact CD2-CD2 4.13Å; Y89-L362 HydrophobicContact CD2-CG 4.33Å; Y89-L362 HydrophobicContact CE2-CD2 3.8Å; Y89-L362 HydrophobicContact CE2-CG 4.44Å
90S98Very high97.5Very high0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-68.1-40.1176-152.20000111.6E87 P88 A93 S94 A299 C300 K354E87-S90 PolarHBondContact O-N 2.92Å; E87-S90 VanDerWaalsContact O-N 3.11Å; P88-S90 VanDerWaalsContact C-N 3.32Å; P88-S90 PolarHBondContact O-N 2.71Å; S90-A93 PolarHBondContact O-N 3.02Å; S90-S94 PolarHBondContact O-N 2.85Å; S90-A299 WeakPolarHBondContact OG-CA 3.47Å; S90-C300 PolarHBondContact OG-N 3.01Å; S90-K354 WeakPolarHBondContact OG-CB 3.26Å; S90-K354 PolarHBondContact OG-O 3.26Å
91L97.7Very high97.4Very high38 Ų3854.1 Ų54.120%0.19928%0.284CS..Hα-helixtrans-64.6-44.6177.4-178.761.2000112.3V22 L86 E87 P88 A93 S94 F95V22-L91 HydrophobicContact CG2-CD2 4.01Å; L86-L91 HydrophobicContact CD1-CB 4.35Å; L86-L91 HydrophobicContact CD1-CD2 3.78Å; E87-L91 PolarHBondContact O-N 3.16Å; P88-L91 PolarHBondContact O-N 3.43Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 3.07Å; L91-S94 WeakPolarHBondContact O-CB 3.4Å; L91-S94 PolarHBondContact O-N 3.24Å; L91-S94 VanDerWaalsContact O-N 3.15Å; L91-F95 HydrophobicContact CD1-CD1 4.42Å; L91-F95 HydrophobicContact CD1-CE1 3.75Å; L91-F95 HydrophobicContact CD1-CE2 4.24Å; L91-F95 HydrophobicContact CD1-CZ 3.64Å; L91-F95 HydrophobicContact CD2-CE2 4.17Å; L91-F95 HydrophobicContact CD2-CZ 4Å; L91-F95 HydrophobicContact CG-CD2 4.46Å; L91-F95 HydrophobicContact CG-CE1 4.27Å; L91-F95 HydrophobicContact CG-CE2 3.84Å; L91-F95 HydrophobicContact CG-CZ 3.72Å; L91-F95 PolarHBondContact O-N 2.88Å
92V98.3Very high97.3Very high75 Ų7551.6 Ų51.646%0.45528%0.275SS..Hα-helixtrans-59.8-43.7175.9168.50000110.8P88 S94 F95 I96P88-V92 WeakPolarHBondContact O-CG2 3.36Å; P88-V92 PolarHBondContact O-N 2.65Å; V92-S94 VanDerWaalsContact C-N 3.32Å; V92-S94 PolarHBondContact O-N 3.32Å; V92-F95 PolarHBondContact O-N 3.22Å; V92-I96 HydrophobicContact CG1-CD1 3.96Å; V92-I96 WeakPolarHBondContact O-CG1 3.42Å; V92-I96 PolarHBondContact O-N 3.01Å
93A98.6Very high97.3Very high0 Ų051.9 Ų51.90%028%0.278CS..Hα-helixtrans-61.7-40.3175.500000112.4Y89 S90 L91 F95 I96 T97 F353 K354 L357Y89-A93 PolarHBondContact O-N 3.5Å; Y89-A93 VanDerWaalsContact O-N 3.15Å; S90-A93 PolarHBondContact O-N 3.02Å; L91-A93 VanDerWaalsContact C-N 3.31Å; L91-A93 PolarHBondContact O-N 3.07Å; A93-F95 PolarHBondContact O-N 3.2Å; A93-I96 PolarHBondContact O-N 2.7Å; A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.84Å; A93-F353 HydrophobicContact CB-CD1 3.71Å; A93-F353 HydrophobicContact CB-CE1 3.58Å; A93-F353 HydrophobicContact CB-CG 4.37Å; A93-F353 HydrophobicContact CB-CZ 4.13Å; A93-K354 HydrophobicContact CB-CB 3.65Å; A93-L357 HydrophobicContact CB-CB 4.21Å; A93-L357 HydrophobicContact CB-CD2 3.85Å
94S97.7Very high97.2Very high20 Ų2048.4 Ų48.414%0.1426%0.264CS..Hα-helixtrans-58.9-44.9173.2-84.30000112.4S90 L91 V92 I96 T97 D98S90-S94 PolarHBondContact O-N 2.85Å; L91-S94 WeakPolarHBondContact O-CB 3.4Å; L91-S94 PolarHBondContact O-N 3.24Å; L91-S94 VanDerWaalsContact O-N 3.15Å; V92-S94 VanDerWaalsContact C-N 3.32Å; V92-S94 PolarHBondContact O-N 3.32Å; S94-I96 VanDerWaalsContact C-N 3.35Å; S94-I96 PolarHBondContact O-N 2.91Å; S94-T97 PolarHBondContact O-N 2.7Å; S94-D98 PolarHBondContact O-N 3.14Å
95F97.8Very high97Very high80 Ų8050.1 Ų50.135%0.35127%0.27SS..Hα-helixtrans-60.9-42.5175.5-65.3-25.7000112.4I17 L91 V92 A93 D98 A99I17-F95 HydrophobicContact CG2-CZ 4.04Å; L91-F95 HydrophobicContact CD1-CD1 4.42Å; L91-F95 HydrophobicContact CD1-CE1 3.75Å; L91-F95 HydrophobicContact CD1-CE2 4.24Å; L91-F95 HydrophobicContact CD1-CZ 3.64Å; L91-F95 HydrophobicContact CD2-CE2 4.17Å; L91-F95 HydrophobicContact CD2-CZ 4Å; L91-F95 HydrophobicContact CG-CD2 4.46Å; L91-F95 HydrophobicContact CG-CE1 4.27Å; L91-F95 HydrophobicContact CG-CE2 3.84Å; L91-F95 HydrophobicContact CG-CZ 3.72Å; L91-F95 PolarHBondContact O-N 2.88Å; V92-F95 PolarHBondContact O-N 3.22Å; A93-F95 PolarHBondContact O-N 3.2Å; F95-D98 PolarHBondContact O-N 2.99Å; F95-A99 VanDerWaalsContact O-CB 3.26Å; F95-A99 WeakPolarHBondContact O-CB 3.4Å; F95-A99 PolarHBondContact O-N 3.3Å
96I98.5Very high97.1Very high67 Ų6749.5 Ų49.534%0.34426%0.262SS..Hα-helixtrans-63.3-44.5176.6-68.9166.2000110.8V92 A93 S94 A99 L100 F353V92-I96 HydrophobicContact CG1-CD1 3.96Å; V92-I96 WeakPolarHBondContact O-CG1 3.42Å; V92-I96 PolarHBondContact O-N 3.01Å; A93-I96 PolarHBondContact O-N 2.7Å; S94-I96 VanDerWaalsContact C-N 3.35Å; S94-I96 PolarHBondContact O-N 2.91Å; I96-A99 PolarHBondContact O-N 3.06Å; I96-L100 HydrophobicContact CG2-CD1 3.77Å; I96-L100 WeakPolarHBondContact O-CG 3.41Å; I96-L100 PolarHBondContact O-N 2.92Å; I96-F353 HydrophobicContact CB-CE1 4Å; I96-F353 HydrophobicContact CD1-CE1 4.46Å; I96-F353 HydrophobicContact CD1-CZ 4.38Å; I96-F353 HydrophobicContact CG2-CE1 3.84Å; I96-F353 HydrophobicContact CG2-CZ 4.31Å
97T98.2Very high97.3Very high11 Ų1151.7 Ų51.77%0.06727%0.269CS..Hα-helixtrans-60-49.2177.5-66.80000111.5A93 S94 A99 L100 K101 P102 P350 F353A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.84Å; S94-T97 PolarHBondContact O-N 2.7Å; T97-A99 VanDerWaalsContact C-N 3.31Å; T97-A99 PolarHBondContact O-N 3.46Å; T97-L100 PolarHBondContact O-N 2.85Å; T97-K101 PolarHBondContact O-N 3.47Å; T97-P102 HydrophobicContact CG2-CG 4.33Å; T97-P102 WeakPolarHBondContact O-CD 3.33Å; T97-P350 HydrophobicContact CG2-CG 3.61Å; T97-F353 WeakPolarHBondContact OG1-CD1 3.39Å
98D97.3Very high97.4Very high87 Ų8756.7 Ų56.747%0.46529%0.293SS..Hα-helixtrans-72.6-24.4-178.1-72.1-29.8000112.4S94 F95 K101 K349S94-D98 PolarHBondContact O-N 3.14Å; F95-D98 PolarHBondContact O-N 2.99Å; D98-K101 WeakPolarHBondContact O-CG 3.39Å; D98-K349 IonicContact OD1-NZ 2.83Å; D98-K349 PolarHBondContact OD1-NZ 2.89Å
99A97.2Very high97.4Very high78 Ų7858.2 Ų58.265%0.64530%0.296SS*.Hα-helixtrans-70.8-40.6171.100000112.5F95 I96 T97F95-A99 VanDerWaalsContact O-CB 3.26Å; F95-A99 WeakPolarHBondContact O-CB 3.4Å; F95-A99 PolarHBondContact O-N 3.3Å; I96-A99 PolarHBondContact O-N 3.06Å; T97-A99 VanDerWaalsContact C-N 3.31Å; T97-A99 PolarHBondContact O-N 3.46Å
100L98Very high97.4Very high111 Ų11153.3 Ų53.358%0.58128%0.277SS*.Hα-helixtrans-81.2-24.5-179.5-69168.9000113.4I96 T97 P102 F113I96-L100 HydrophobicContact CG2-CD1 3.77Å; I96-L100 WeakPolarHBondContact O-CG 3.41Å; I96-L100 PolarHBondContact O-N 2.92Å; T97-L100 PolarHBondContact O-N 2.85Å; L100-P102 VanDerWaalsContact C-CD 3.44Å; L100-F113 HydrophobicContact CD1-CE2 4.17Å; L100-F113 HydrophobicContact CD1-CZ 3.77Å
101K96.6Very high97.4Very high175 Ų17555.6 Ų55.676%0.76129%0.292SS*.  trans48.848.4-177.5-57.3179.2-69.4-178.60114.4T97 D98T97-K101 PolarHBondContact O-N 3.47Å; D98-K101 WeakPolarHBondContact O-CG 3.39Å
102P97.3Very high97.4Very high25 Ų2557.7 Ų57.716%0.16231%0.306CS..  trans-75.2167.7-179.335.8-38.6000112.3T97 L100 S110 F113 P350T97-P102 HydrophobicContact CG2-CG 4.33Å; T97-P102 WeakPolarHBondContact O-CD 3.33Å; L100-P102 VanDerWaalsContact C-CD 3.44Å; P102-S110 WeakPolarHBondContact CB-OG 3.29Å; P102-F113 HydrophobicContact CB-CD2 3.75Å; P102-F113 HydrophobicContact CB-CE2 3.74Å; P102-F113 HydrophobicContact CG-CD2 3.81Å; P102-F113 HydrophobicContact CG-CE2 3.58Å; P102-F113 HydrophobicContact CG-CZ 4.35Å; P102-P350 HydrophobicContact CG-CG 3.53Å
103S97.1Very high97.5Very high21 Ų2155.1 Ų55.115%0.14729%0.289CS..  trans-140.1126.3170.5178.60000111.6Y105 S110 S347 R348S103-Y105 VanDerWaalsContact CB-CE1 3.41Å; S103-Y105 PolarHBondContact O-N 2.94Å; S103-Y105 VanDerWaalsContact O-N 3.14Å; S103-Y105 WeakPolarHBondContact OG-CD1 3.28Å; S103-Y105 WeakPolarHBondContact OG-CE1 3.45Å; S103-S110 PolarHBondContact N-OG 2.68Å; S103-S110 PolarHBondContact O-OG 2.93Å; S103-S110 VanDerWaalsContact O-OG 3.08Å; S103-S347 WeakPolarHBondContact OG-CA 3.49Å; S103-R348 CarbonylContact C-O 3.58Å; S103-R348 WeakPolarHBondContact CA-O 3.39Å; S103-R348 PolarHBondContact OG-N 3.03Å
104L95.6Very high97.5Very high1 Ų155.1 Ų55.11%0.00529%0.289CS..THydrogen-bonded Turntrans-85.571.5-178-77.5-177000112.9F113 T114 R348 P350L104-F113 HydrophobicContact CD2-CB 3.82Å; L104-T114 WeakPolarHBondContact CD2-OG1 3.44Å; L104-R348 HydrophobicContact CB-CB 4.34Å; L104-R348 PolarHBondContact N-O 3.48Å; L104-R348 PolarHBondContact O-NE 3.4Å; L104-P350 VanDerWaalsContact CD1-CA 3.45Å; L104-P350 HydrophobicContact CD1-CB 3.78Å; L104-P350 HydrophobicContact CG-CB 3.92Å
105Y93.7Very high97.5Very high45 Ų4557.8 Ų57.818%0.17630%0.301CS..THydrogen-bonded Turntrans-109.5-43.5164.345.1-105.8000111.9S103 M109 L326 T339 G340S103-Y105 VanDerWaalsContact CB-CE1 3.41Å; S103-Y105 PolarHBondContact O-N 2.94Å; S103-Y105 VanDerWaalsContact O-N 3.14Å; S103-Y105 WeakPolarHBondContact OG-CD1 3.28Å; S103-Y105 WeakPolarHBondContact OG-CE1 3.45Å; Y105-M109 HydrophobicContact CD2-CB 4.49Å; Y105-M109 HydrophobicContact CE2-CB 3.66Å; Y105-M109 HydrophobicContact CE2-CG 3.42Å; Y105-M109 VanDerWaalsContact CE2-CG 3.42Å; Y105-M109 WeakPolarHBondContact OH-CG 3.46Å; Y105-L326 HydrophobicContact CD2-CD1 3.5Å; Y105-L326 VanDerWaalsContact CD2-CD1 3.5Å; Y105-L326 HydrophobicContact CD2-CD2 4.45Å; Y105-L326 HydrophobicContact CD2-CG 4.17Å; Y105-L326 HydrophobicContact CE2-CD1 3.66Å; Y105-L326 HydrophobicContact CG-CD1 4.06Å; Y105-L326 HydrophobicContact CG-CD2 4.26Å; Y105-L326 HydrophobicContact CG-CG 4.48Å; Y105-T339 PolarHBondContact O-N 2.8Å; Y105-T339 VanDerWaalsContact O-N 3.14Å; Y105-G340 PolarHBondContact O-N 3.44Å
106T97.6Very high97.6Very high1 Ų155.3 Ų55.31%0.00629%0.291CS..  trans-128.8153.7-177.561.40000111.2E108 M109 S110 L326 F327 K331 D338T106-E108 VanDerWaalsContact C-N 3.33Å; T106-M109 PolarHBondContact O-N 2.97Å; T106-S110 PolarHBondContact O-N 2.8Å; T106-L326 WeakPolarHBondContact CG2-O 3.15Å; T106-F327 HydrophobicContact CG2-CD1 4.42Å; T106-F327 HydrophobicContact CG2-CE1 4.45Å; T106-K331 VanDerWaalsContact CG2-NZ 3.27Å; T106-D338 WeakPolarHBondContact CA-OD1 3.39Å; T106-D338 VanDerWaalsContact CB-OD1 3.31Å; T106-D338 WeakPolarHBondContact CB-OD1 3.27Å; T106-D338 HydrophobicContact CG2-CB 4.35Å; T106-D338 WeakPolarHBondContact CG2-OD2 3.35Å
107Y98.1Very high97.6Very high72 Ų7252.2 Ų52.228%0.28228%0.275SS..THydrogen-bonded Turntrans-61.6-41.4173.5180-98.1000111.8M109 S110 P111 T114 L115 Y333 Y337 D338Y107-M109 PolarHBondContact O-N 3.48Å; Y107-S110 CarbonylContact O-C 3.48Å; Y107-S110 PolarHBondContact O-N 2.95Å; Y107-P111 HydrophobicContact CD1-CB 4.24Å; Y107-P111 HydrophobicContact CD2-CB 4.07Å; Y107-P111 HydrophobicContact CE1-CB 3.85Å; Y107-P111 HydrophobicContact CE2-CB 3.65Å; Y107-P111 HydrophobicContact CG-CB 4.34Å; Y107-P111 WeakPolarHBondContact O-CA 3.2Å; Y107-P111 VanDerWaalsContact O-CB 3.31Å; Y107-P111 WeakPolarHBondContact O-CB 3.46Å; Y107-P111 WeakPolarHBondContact O-CD 3.32Å; Y107-T114 HydrophobicContact CD2-CG2 4.11Å; Y107-L115 HydrophobicContact CE2-CD1 4.22Å; Y107-L115 HydrophobicContact CE2-CD2 4.15Å; Y107-L115 HydrophobicContact CE2-CG 3.98Å; Y107-Y333 HydrophobicContact CD1-CD2 4.06Å; Y107-Y333 HydrophobicContact CD1-CE2 4.25Å; Y107-Y333 HydrophobicContact CD1-CG 4.37Å; Y107-Y333 HydrophobicContact CG-CD2 4.47Å; Y107-Y333 HydrophobicContact CG-CE2 4.37Å; Y107-Y337 HydrophobicContact CD2-CD1 4.45Å; Y107-Y337 HydrophobicContact CD2-CG 4.32Å; Y107-D338 PolarHBondContact N-OD1 2.87Å
108E97.2Very high97.6Very high111 Ų11153.8 Ų53.852%0.51928%0.283SS..THydrogen-bonded Turntrans-47.5-44.8174.9167.7-179-161.400113.5T106 K331 Y333T106-E108 VanDerWaalsContact C-N 3.33Å; E108-K331 IonicContact OE2-NZ 2.86Å; E108-Y333 HydrophobicContact CB-CE1 3.94Å
109M96.8Very high97.7Very high98 Ų9851.8 Ų51.848%0.48328%0.278SS..THydrogen-bonded Turntrans-89.4-17.4-173-71.7-61.7-55.300113.9Y105 T106 Y107Y105-M109 HydrophobicContact CD2-CB 4.49Å; Y105-M109 HydrophobicContact CE2-CB 3.66Å; Y105-M109 HydrophobicContact CE2-CG 3.42Å; Y105-M109 VanDerWaalsContact CE2-CG 3.42Å; Y105-M109 WeakPolarHBondContact OH-CG 3.46Å; T106-M109 PolarHBondContact O-N 2.97Å; Y107-M109 PolarHBondContact O-N 3.48Å
110S98.1Very high97.7Very high3 Ų348.2 Ų48.22%0.02125%0.249CC..  trans-150.754.7-176.7-730000112.3P102 S103 T106 Y107 V112 F113 T114P102-S110 WeakPolarHBondContact CB-OG 3.29Å; S103-S110 PolarHBondContact N-OG 2.68Å; S103-S110 PolarHBondContact O-OG 2.93Å; S103-S110 VanDerWaalsContact O-OG 3.08Å; T106-S110 PolarHBondContact O-N 2.8Å; Y107-S110 CarbonylContact O-C 3.48Å; Y107-S110 PolarHBondContact O-N 2.95Å; S110-V112 PolarHBondContact O-N 2.7Å; S110-F113 PolarHBondContact O-N 3.33Å; S110-T114 WeakPolarHBondContact O-CB 3.31Å; S110-T114 PolarHBondContact O-N 2.93Å; S110-T114 PolarHBondContact O-OG1 2.95Å; S110-T114 VanDerWaalsContact O-OG1 3.09Å
111P98.3Very high97.8Very high49 Ų4943.3 Ų43.332%0.31822%0.223SC..Hα-helixtrans-62.2-45.6-165.922.9-32.9000112.3Y107 F113 L115Y107-P111 HydrophobicContact CD1-CB 4.24Å; Y107-P111 HydrophobicContact CD2-CB 4.07Å; Y107-P111 HydrophobicContact CE1-CB 3.85Å; Y107-P111 HydrophobicContact CE2-CB 3.65Å; Y107-P111 HydrophobicContact CG-CB 4.34Å; Y107-P111 WeakPolarHBondContact O-CA 3.2Å; Y107-P111 VanDerWaalsContact O-CB 3.31Å; Y107-P111 WeakPolarHBondContact O-CB 3.46Å; Y107-P111 WeakPolarHBondContact O-CD 3.32Å; P111-F113 PolarHBondContact O-N 2.88Å; P111-L115 WeakPolarHBondContact O-CG 3.3Å; P111-L115 PolarHBondContact O-N 3.28Å
112V98.6Very high97.9Very high82 Ų8242.9 Ų42.950%0.49722%0.217SC..Hα-helixtrans-62.2-46.1178.7177.20000111.1S110 L115 M116S110-V112 PolarHBondContact O-N 2.7Å; V112-L115 PolarHBondContact O-N 3.34Å; V112-M116 HydrophobicContact CG1-CE 3.5Å; V112-M116 VanDerWaalsContact CG1-CE 3.5Å; V112-M116 HydrophobicContact CG1-SD 3.83Å; V112-M116 VanDerWaalsContact O-CG 3.31Å; V112-M116 WeakPolarHBondContact O-CG 3.27Å; V112-M116 PolarHBondContact O-N 2.88Å
113F98.6Very high97.9Very high21 Ų2145.8 Ų45.89%0.09223%0.227CC..Hα-helixtrans-72.4-33-175.8-59.9-57.5000112.7L100 P102 L104 S110 P111 M116 E117 P350 F353L100-F113 HydrophobicContact CD1-CE2 4.17Å; L100-F113 HydrophobicContact CD1-CZ 3.77Å; P102-F113 HydrophobicContact CB-CD2 3.75Å; P102-F113 HydrophobicContact CB-CE2 3.74Å; P102-F113 HydrophobicContact CG-CD2 3.81Å; P102-F113 HydrophobicContact CG-CE2 3.58Å; P102-F113 HydrophobicContact CG-CZ 4.35Å; L104-F113 HydrophobicContact CD2-CB 3.82Å; S110-F113 PolarHBondContact O-N 3.33Å; P111-F113 PolarHBondContact O-N 2.88Å; F113-M116 HydrophobicContact CD1-SD 4.21Å; F113-M116 PolarHBondContact O-N 3.02Å; F113-E117 WeakPolarHBondContact O-CB 3.47Å; F113-E117 PolarHBondContact O-N 3.39Å; F113-P350 HydrophobicContact CB-CB 3.59Å; F113-P350 HydrophobicContact CB-CG 4.39Å; F113-P350 HydrophobicContact CD1-CB 4.02Å; F113-P350 HydrophobicContact CD1-CG 4.25Å; F113-P350 HydrophobicContact CD2-CB 4.33Å; F113-P350 HydrophobicContact CD2-CG 4.23Å; F113-P350 HydrophobicContact CG-CB 3.72Å; F113-P350 HydrophobicContact CG-CG 4.03Å; F113-F353 HydrophobicContact CD1-CB 3.92Å; F113-F353 HydrophobicContact CD1-CD1 4.35Å; F113-F353 HydrophobicContact CD1-CD2 4.4Å; F113-F353 AromaticContact CD1-CG 3.96Å; F113-F353 HydrophobicContact CD1-CG 3.96Å; F113-F353 HydrophobicContact CE1-CB 4.16Å; F113-F353 AromaticContact CE1-CD1 3.73Å; F113-F353 HydrophobicContact CE1-CD1 3.73Å; F113-F353 HydrophobicContact CE1-CD2 4.22Å; F113-F353 HydrophobicContact CE1-CE1 4.12Å; F113-F353 AromaticContact CE1-CG 3.76Å; F113-F353 HydrophobicContact CE1-CG 3.76Å
114T98.6Very high98Very high0 Ų044.8 Ų44.80%022%0.22CC..Hα-helixtrans-60.8-46.2171.8-65.30000110.9L104 Y107 S110 M116 E117 N118 Y337L104-T114 WeakPolarHBondContact CD2-OG1 3.44Å; Y107-T114 HydrophobicContact CD2-CG2 4.11Å; S110-T114 WeakPolarHBondContact O-CB 3.31Å; S110-T114 PolarHBondContact O-N 2.93Å; S110-T114 PolarHBondContact O-OG1 2.95Å; S110-T114 VanDerWaalsContact O-OG1 3.09Å; T114-M116 PolarHBondContact O-N 2.76Å; T114-E117 PolarHBondContact O-N 3.02Å; T114-N118 VanDerWaalsContact O-CG 3.32Å; T114-N118 PolarHBondContact O-N 3.28Å; T114-Y337 HydrophobicContact CG2-CD1 4.35Å; T114-Y337 VanDerWaalsContact CG2-O 3.27Å; T114-Y337 WeakPolarHBondContact CG2-O 3.42Å
115L98.8Very high98.1Very high76 Ų7645.2 Ų45.240%0.39822%0.222SC..Hα-helixtrans-65.9-38.2177.7-64178.2000112.4Y107 P111 V112 N118 A119 Y337Y107-L115 HydrophobicContact CE2-CD1 4.22Å; Y107-L115 HydrophobicContact CE2-CD2 4.15Å; Y107-L115 HydrophobicContact CE2-CG 3.98Å; P111-L115 WeakPolarHBondContact O-CG 3.3Å; P111-L115 PolarHBondContact O-N 3.28Å; V112-L115 PolarHBondContact O-N 3.34Å; L115-N118 PolarHBondContact O-N 3.3Å; L115-A119 WeakPolarHBondContact O-CB 3.25Å; L115-A119 PolarHBondContact O-N 3.17Å; L115-Y337 HydrophobicContact CD2-CD1 3.95Å; L115-Y337 HydrophobicContact CD2-CE1 3.6Å
116M98.8Very high98.4Very high28 Ų2848.1 Ų48.114%0.13824%0.237CC..Hα-helixtrans-65.5-43.5176-72171172.400112.1V112 F113 T114 A119 V120 F353 W356V112-M116 HydrophobicContact CG1-CE 3.5Å; V112-M116 VanDerWaalsContact CG1-CE 3.5Å; V112-M116 HydrophobicContact CG1-SD 3.83Å; V112-M116 VanDerWaalsContact O-CG 3.31Å; V112-M116 WeakPolarHBondContact O-CG 3.27Å; V112-M116 PolarHBondContact O-N 2.88Å; F113-M116 HydrophobicContact CD1-SD 4.21Å; F113-M116 PolarHBondContact O-N 3.02Å; T114-M116 PolarHBondContact O-N 2.76Å; M116-A119 PolarHBondContact O-N 3.18Å; M116-V120 WeakPolarHBondContact O-CG2 3.41Å; M116-V120 PolarHBondContact O-N 3.4Å; M116-F353 HydrophobicContact CE-CD2 4.11Å; M116-F353 HydrophobicContact CE-CE2 3.93Å; M116-F353 HydrophobicContact SD-CD2 3.29Å; M116-F353 WeakPolarHBondContact SD-CD2 3.42Å; M116-F353 HydrophobicContact SD-CE2 3.74Å; M116-F353 HydrophobicContact SD-CG 4.22Å; M116-W356 HydrophobicContact CB-CB 4.48Å; M116-W356 HydrophobicContact CB-CD2 4.49Å; M116-W356 HydrophobicContact CB-CG 4.13Å; M116-W356 HydrophobicContact CE-CD2 4.31Å; M116-W356 HydrophobicContact CE-CE3 3.9Å; M116-W356 HydrophobicContact CE-CH2 3.84Å; M116-W356 HydrophobicContact CE-CZ2 4.19Å; M116-W356 HydrophobicContact CE-CZ3 3.68Å; M116-W356 HydrophobicContact CG-CD2 3.98Å; M116-W356 HydrophobicContact CG-CE3 4.44Å; M116-W356 HydrophobicContact CG-CG 4.14Å; M116-W356 HydrophobicContact SD-CD2 4.27Å; M116-W356 HydrophobicContact SD-CE3 4.15Å
117E98.8Very high98.4Very high1 Ų149.6 Ų49.61%0.00525%0.246CC..Hα-helixtrans-60.1-46.8175-178.816681.300111.2F113 T114 A119 V120 L121 F138 R348 A352F113-E117 WeakPolarHBondContact O-CB 3.47Å; F113-E117 PolarHBondContact O-N 3.39Å; T114-E117 PolarHBondContact O-N 3.02Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 2.95Å; E117-V120 PolarHBondContact O-N 2.89Å; E117-L121 HydrophobicContact CG-CD1 3.78Å; E117-L121 HydrophobicContact CG-CG 4.2Å; E117-L121 WeakPolarHBondContact O-CB 3.45Å; E117-L121 WeakPolarHBondContact O-CG 3.35Å; E117-L121 PolarHBondContact O-N 2.91Å; E117-F138 HydrophobicContact CG-CD2 3.85Å; E117-F138 HydrophobicContact CG-CE2 4.27Å; E117-F138 WeakPolarHBondContact OE2-CB 3.39Å; E117-F138 WeakPolarHBondContact OE2-CD2 3.28Å; E117-R348 VanDerWaalsContact CD-NH1 3.34Å; E117-R348 IonicContact OE1-CZ 3.07Å; E117-R348 IonicContact OE1-NH1 3.44Å; E117-R348 PolarHBondContact OE1-NH1 2.9Å; E117-R348 VanDerWaalsContact OE1-NH1 3.14Å; E117-R348 IonicContact OE1-NH2 3.91Å; E117-R348 PolarHBondContact OE1-NH2 3.05Å; E117-R348 IonicContact OE2-CZ 3.4Å; E117-R348 IonicContact OE2-NH1 3.9Å; E117-R348 PolarHBondContact OE2-NH1 3.13Å; E117-R348 IonicContact OE2-NH2 3.67Å; E117-A352 HydrophobicContact CB-CB 3.78Å; E117-A352 HydrophobicContact CG-CB 3.95Å
118N98.5Very high98.4Very high44 Ų4446.3 Ų46.324%0.23523%0.234CC..Hα-helixtrans-58.2-41.4175.9-73.5-12.7000112.4T114 L115 R122T114-N118 VanDerWaalsContact O-CG 3.32Å; T114-N118 PolarHBondContact O-N 3.28Å; L115-N118 PolarHBondContact O-N 3.3Å; N118-R122 VanDerWaalsContact O-CB 3.31Å; N118-R122 WeakPolarHBondContact O-CB 3.34Å; N118-R122 PolarHBondContact O-N 3.2Å
119A98.7Very high98.5Very high45 Ų4542.7 Ų42.737%0.37223%0.226SC..Hα-helixtrans-65.1-42.6177.700000112.2L115 M116 E117 K123L115-A119 WeakPolarHBondContact O-CB 3.25Å; L115-A119 PolarHBondContact O-N 3.17Å; M116-A119 PolarHBondContact O-N 3.18Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 2.95Å; A119-K123 PolarHBondContact O-N 3.4Å
120V98.8Very high98.5Very high4 Ų438.4 Ų38.42%0.02420%0.204CC..Hα-helixtrans-66.6-49.4177.7173.90000111M116 E117 R122 K123 L124 F138 F355 W356M116-V120 WeakPolarHBondContact O-CG2 3.41Å; M116-V120 PolarHBondContact O-N 3.4Å; E117-V120 PolarHBondContact O-N 2.89Å; V120-R122 VanDerWaalsContact C-N 3.33Å; V120-R122 PolarHBondContact O-N 3.47Å; V120-K123 PolarHBondContact O-N 3.19Å; V120-K123 VanDerWaalsContact O-N 3.08Å; V120-L124 HydrophobicContact CG1-CD1 3.85Å; V120-L124 HydrophobicContact CG1-CG 4.24Å; V120-L124 WeakPolarHBondContact O-CG 3.41Å; V120-L124 PolarHBondContact O-N 3.07Å; V120-F138 HydrophobicContact CB-CE2 4.44Å; V120-F138 HydrophobicContact CG1-CE2 3.95Å; V120-F138 HydrophobicContact CG1-CZ 3.6Å; V120-F355 HydrophobicContact CG1-CD1 3.59Å; V120-F355 HydrophobicContact CG1-CE1 3.9Å; V120-W356 HydrophobicContact CG2-CB 3.61Å; V120-W356 HydrophobicContact CG2-CG 4.16Å
121L98.8Very high98.3Very high8 Ų847 Ų474%0.04225%0.245CC..Hα-helixtrans-57.7-46.1179.5-71.1171000111.2E117 K123 L124 I125 G136 F138 L307E117-L121 HydrophobicContact CG-CD1 3.78Å; E117-L121 HydrophobicContact CG-CG 4.2Å; E117-L121 WeakPolarHBondContact O-CB 3.45Å; E117-L121 WeakPolarHBondContact O-CG 3.35Å; E117-L121 PolarHBondContact O-N 2.91Å; L121-K123 VanDerWaalsContact C-N 3.29Å; L121-K123 PolarHBondContact O-N 3Å; L121-L124 PolarHBondContact O-N 3Å; L121-I125 WeakPolarHBondContact O-CB 3.41Å; L121-I125 VanDerWaalsContact O-CG1 3.25Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 2.9Å; L121-G136 WeakPolarHBondContact CD1-O 3.46Å; L121-F138 HydrophobicContact CD2-CD2 4.14Å; L121-F138 HydrophobicContact CD2-CE2 3.84Å; L121-F138 HydrophobicContact CG-CD2 4.46Å; L121-F138 HydrophobicContact CG-CE2 4.1Å; L121-L307 HydrophobicContact CD2-CD2 3.67Å
122R98.4Very high98Very high166 Ų16652 Ų5263%0.62626%0.263SS*.Hα-helixtrans-56.1-44.2175.5-173.7-175.6-59.1177.91.3111.8N118 V120 Q126N118-R122 VanDerWaalsContact O-CB 3.31Å; N118-R122 WeakPolarHBondContact O-CB 3.34Å; N118-R122 PolarHBondContact O-N 3.2Å; V120-R122 VanDerWaalsContact C-N 3.33Å; V120-R122 PolarHBondContact O-N 3.47Å; R122-Q126 WeakPolarHBondContact O-CG 3.28Å; R122-Q126 PolarHBondContact O-N 2.86Å
123K98.5Very high97.9Very high85 Ų8549.3 Ų49.337%0.3725%0.252SS..Hα-helixtrans-68.1-38.7179.9-170.561.5179.41730112A119 V120 L121 Q126 T127 W359A119-K123 PolarHBondContact O-N 3.4Å; V120-K123 PolarHBondContact O-N 3.19Å; V120-K123 VanDerWaalsContact O-N 3.08Å; L121-K123 VanDerWaalsContact C-N 3.29Å; L121-K123 PolarHBondContact O-N 3Å; K123-Q126 PolarHBondContact O-N 3.48Å; K123-T127 WeakPolarHBondContact O-CB 3.48Å; K123-T127 PolarHBondContact O-N 3.34Å; K123-T127 PolarHBondContact O-OG1 2.98Å; K123-W359 HydrophobicContact CB-CH2 4.06Å; K123-W359 HydrophobicContact CB-CZ3 4.27Å; K123-W359 HydrophobicContact CD-CZ2 4.47Å; K123-W359 HydrophobicContact CG-CH2 3.37Å; K123-W359 HydrophobicContact CG-CZ2 3.49Å; K123-W359 VanDerWaalsContact CG-CZ2 3.49Å; K123-W359 HydrophobicContact CG-CZ3 3.99Å
124L98.8Very high97.8Very high0 Ų049.5 Ų49.50%026%0.261CS..Hα-helixtrans-66.4-43.1175.9-68.2175000112.1V120 L121 Q126 T127 V128 F138 M272 W291 A305 L307 F355 W359V120-L124 HydrophobicContact CG1-CD1 3.85Å; V120-L124 HydrophobicContact CG1-CG 4.24Å; V120-L124 WeakPolarHBondContact O-CG 3.41Å; V120-L124 PolarHBondContact O-N 3.07Å; L121-L124 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact C-N 3.35Å; L124-Q126 PolarHBondContact O-N 2.88Å; L124-T127 CarbonylContact O-C 3.58Å; L124-T127 WeakPolarHBondContact O-CA 3.4Å; L124-T127 WeakPolarHBondContact O-CB 3.48Å; L124-T127 PolarHBondContact O-N 3.45Å; L124-V128 PolarHBondContact O-N 3.28Å; L124-F138 HydrophobicContact CD1-CZ 4.27Å; L124-M272 HydrophobicContact CD2-CE 4.46Å; L124-W291 HydrophobicContact CD2-CD2 4.23Å; L124-W291 HydrophobicContact CD2-CE3 3.62Å; L124-W291 HydrophobicContact CD2-CH2 3.73Å; L124-W291 HydrophobicContact CD2-CZ2 4.31Å; L124-W291 HydrophobicContact CD2-CZ3 3.36Å; L124-A305 HydrophobicContact CD1-CB 3.75Å; L124-L307 HydrophobicContact CB-CD1 3.87Å; L124-L307 HydrophobicContact CB-CD2 4.17Å; L124-F355 HydrophobicContact CD1-CE1 4.33Å; L124-F355 HydrophobicContact CD2-CE1 4.03Å; L124-F355 HydrophobicContact CG-CE1 4.44Å; L124-W359 HydrophobicContact CD2-CH2 4.03Å; L124-W359 HydrophobicContact CD2-CZ3 3.86Å; L124-W359 HydrophobicContact CG-CZ3 4.22Å
125I98.8Very high97.8Very high10 Ų1050.6 Ų50.65%0.05127%0.266CS..Hα-helixtrans-57.5-46174.5-73.9166.6000111.1L121 T127 V128 G129 W130 L307L121-I125 WeakPolarHBondContact O-CB 3.41Å; L121-I125 VanDerWaalsContact O-CG1 3.25Å; L121-I125 WeakPolarHBondContact O-CG1 3.37Å; L121-I125 PolarHBondContact O-N 2.9Å; I125-T127 VanDerWaalsContact C-N 3.3Å; I125-T127 PolarHBondContact O-N 2.94Å; I125-V128 PolarHBondContact O-N 3.16Å; I125-G129 PolarHBondContact O-N 3.01Å; I125-W130 HydrophobicContact CG1-CE3 4.32Å; I125-W130 HydrophobicContact CG2-CB 3.88Å; I125-W130 HydrophobicContact CG2-CE3 4.2Å; I125-W130 PolarHBondContact O-N 2.98Å; I125-W130 VanDerWaalsContact O-N 3.16Å; I125-L307 HydrophobicContact CG1-CD2 4.28Å
126Q98.2Very high97.8Very high106 Ų10647.1 Ų47.150%0.49525%0.249SC..Hα-helixtrans-62-38.9173.6-72.1172.3-600112.2R122 K123 L124 V128 G129R122-Q126 WeakPolarHBondContact O-CG 3.28Å; R122-Q126 PolarHBondContact O-N 2.86Å; K123-Q126 PolarHBondContact O-N 3.48Å; L124-Q126 VanDerWaalsContact C-N 3.35Å; L124-Q126 PolarHBondContact O-N 2.88Å; Q126-V128 VanDerWaalsContact C-N 3.31Å; Q126-V128 PolarHBondContact O-N 2.98Å; Q126-G129 PolarHBondContact O-N 3.42Å
127T98.3Very high97.8Very high33 Ų3346 Ų4620%0.20224%0.244CC..Hα-helixtrans-67.7-31.5179.7-570000112K123 L124 I125 G129 L271 M272 W291K123-T127 WeakPolarHBondContact O-CB 3.48Å; K123-T127 PolarHBondContact O-N 3.34Å; K123-T127 PolarHBondContact O-OG1 2.98Å; L124-T127 CarbonylContact O-C 3.58Å; L124-T127 WeakPolarHBondContact O-CA 3.4Å; L124-T127 WeakPolarHBondContact O-CB 3.48Å; L124-T127 PolarHBondContact O-N 3.45Å; I125-T127 VanDerWaalsContact C-N 3.3Å; I125-T127 PolarHBondContact O-N 2.94Å; T127-G129 VanDerWaalsContact C-N 3.26Å; T127-L271 HydrophobicContact CG2-CB 3.64Å; T127-M272 HydrophobicContact CG2-SD 4.31Å; T127-W291 HydrophobicContact CG2-CH2 3.94Å; T127-W291 HydrophobicContact CG2-CZ3 4.03Å
128V98.6Very high97.8Very high3 Ų346 Ų462%0.01824%0.244CC..Hα-helixtrans-69.9-23.1170.7167.10000112.2L124 I125 Q126 W130 L271 I283 V289 L307L124-V128 PolarHBondContact O-N 3.28Å; I125-V128 PolarHBondContact O-N 3.16Å; Q126-V128 VanDerWaalsContact C-N 3.31Å; Q126-V128 PolarHBondContact O-N 2.98Å; V128-W130 HydrophobicContact CB-CD2 4.5Å; V128-W130 HydrophobicContact CG1-CD2 3.75Å; V128-W130 VanDerWaalsContact CG1-CE2 3.49Å; V128-W130 HydrophobicContact CG1-CE3 4.24Å; V128-W130 HydrophobicContact CG1-CG 4.19Å; V128-W130 HydrophobicContact CG1-CH2 4.23Å; V128-W130 HydrophobicContact CG1-CZ2 3.75Å; V128-W130 HydrophobicContact CG1-CZ3 4.46Å; V128-L271 HydrophobicContact CG2-CD1 4.12Å; V128-I283 HydrophobicContact CG1-CG1 4.15Å; V128-V289 HydrophobicContact CG1-CG2 4.23Å; V128-V289 HydrophobicContact CG2-CG2 4.37Å; V128-L307 HydrophobicContact CG2-CD1 3.9Å
129G98.2Very high97.8Very high35 Ų3543.9 Ų43.936%0.36123%0.233SC..THydrogen-bonded Turntrans9917.7-179.500000114.5I125 Q126 T127 E131I125-G129 PolarHBondContact O-N 3.01Å; Q126-G129 PolarHBondContact O-N 3.42Å; T127-G129 VanDerWaalsContact C-N 3.26Å; G129-E131 PolarHBondContact O-N 3.16Å
130W98.4Very high97.7Very high7 Ų743.4 Ų43.43%0.02723%0.229CC..  trans-89.679.8173.7-60.6-27000110.7I125 V128 E132 G133 H284 V286 V289 L307 V308 R309I125-W130 HydrophobicContact CG1-CE3 4.32Å; I125-W130 HydrophobicContact CG2-CB 3.88Å; I125-W130 HydrophobicContact CG2-CE3 4.2Å; I125-W130 PolarHBondContact O-N 2.98Å; I125-W130 VanDerWaalsContact O-N 3.16Å; V128-W130 HydrophobicContact CB-CD2 4.5Å; V128-W130 HydrophobicContact CG1-CD2 3.75Å; V128-W130 VanDerWaalsContact CG1-CE2 3.49Å; V128-W130 HydrophobicContact CG1-CE3 4.24Å; V128-W130 HydrophobicContact CG1-CG 4.19Å; V128-W130 HydrophobicContact CG1-CH2 4.23Å; V128-W130 HydrophobicContact CG1-CZ2 3.75Å; V128-W130 HydrophobicContact CG1-CZ3 4.46Å; W130-E132 VanDerWaalsContact C-N 3.27Å; W130-E132 PolarHBondContact O-N 2.88Å; W130-G133 PolarHBondContact O-N 3.36Å; W130-G133 VanDerWaalsContact O-N 3.12Å; W130-H284 PolarHBondContact NE1-O 3.25Å; W130-V286 HydrophobicContact CZ2-CG2 3.93Å; W130-V286 VanDerWaalsContact CZ2-O 3.27Å; W130-V286 WeakPolarHBondContact CZ2-O 3.22Å; W130-V289 HydrophobicContact CH2-CG2 3.93Å; W130-V289 HydrophobicContact CZ2-CG2 4.06Å; W130-L307 HydrophobicContact CH2-CB 4.25Å; W130-L307 HydrophobicContact CZ3-CB 3.77Å; W130-V308 VanDerWaalsContact CZ3-C 3.49Å; W130-R309 HydrophobicContact CD2-CB 3.94Å; W130-R309 HydrophobicContact CD2-CG 3.91Å; W130-R309 HydrophobicContact CE3-CB 4.16Å; W130-R309 HydrophobicContact CE3-CG 4.48Å; W130-R309 HydrophobicContact CG-CG 3.97Å; W130-R309 HydrophobicContact CH2-CB 4.15Å; W130-R309 HydrophobicContact CZ2-CB 3.91Å; W130-R309 HydrophobicContact CZ3-CB 4.26Å
131E92.9Very high97.6Very high185 Ų18543.6 Ų43.686%0.86423%0.231SC*.THydrogen-bonded Turntrans-62.5-32.9-175.6-62.5-174.517000113.3G129 G133G129-E131 PolarHBondContact O-N 3.16Å; E131-G133 PolarHBondContact O-N 3.4Å
132E92.6Very high97.6Very high152 Ų15243.6 Ų43.671%0.7123%0.233SC*.THydrogen-bonded Turntrans-76.41.1178.8-53.8-174.2173.300114.1W130 K311W130-E132 VanDerWaalsContact C-N 3.27Å; W130-E132 PolarHBondContact O-N 2.88Å; E132-K311 VanDerWaalsContact CB-NZ 3.32Å; E132-K311 VanDerWaalsContact O-CD 3.25Å; E132-K311 WeakPolarHBondContact O-CD 3.08Å; E132-K311 IonicContact OE2-NZ 2.84Å; E132-K311 PolarHBondContact OE2-NZ 3.39Å
133G94.8Very high97.6Very high26 Ų2638.2 Ų38.227%0.26822%0.221SC..  trans93.5-169.1-176.900000114W130 E131W130-G133 PolarHBondContact O-N 3.36Å; W130-G133 VanDerWaalsContact O-N 3.12Å; E131-G133 PolarHBondContact O-N 3.4Å
134G97.8Very high97.6Very high26 Ų2636.6 Ų36.627%0.26822%0.215SC..  trans172.4-170.5-175.500000109.3V308G134-V308 CarbonylContact C-O 3.59Å; G134-V308 WeakPolarHBondContact CA-O 3.31Å
135D98.6Very high97.6Very high22 Ų2236.6 Ų36.612%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-128.4171.8177.3-159.44.3000110.6V308 D310 L315 K342D135-V308 HydrophobicContact CB-CG1 3.78Å; D135-V308 PolarHBondContact N-O 3.24Å; D135-V308 PolarHBondContact O-N 3.12Å; D135-V308 VanDerWaalsContact O-O 3.12Å; D135-D310 PolarHBondContact N-O 3.49Å; D135-L315 HydrophobicContact CB-CD1 4.12Å; D135-K342 VanDerWaalsContact CG-NZ 3.28Å; D135-K342 IonicContact OD1-NZ 3.14Å; D135-K342 PolarHBondContact OD1-NZ 3.38Å; D135-K342 WeakPolarHBondContact OD2-CE 3.43Å; D135-K342 IonicContact OD2-NZ 2.7Å; D135-K342 PolarHBondContact OD2-NZ 2.91Å
136G98.4Very high97.7Very high4 Ų436.1 Ų36.14%0.04121%0.213CC..EExtended strand (participates in β ladder)trans176.2178.1177.100000113.5L121 F306L121-G136 WeakPolarHBondContact CD1-O 3.46Å; G136-F306 CarbonylContact C-O 3.59Å; G136-F306 WeakPolarHBondContact CA-O 3.29Å
137L98.1Very high97.7Very high3 Ų332.4 Ų32.42%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-160.5164.5173.459.2102.6000110.8N139 Y148 F306 L315 K342L137-N139 WeakPolarHBondContact CD1-ND2 3.36Å; L137-Y148 HydrophobicContact CD1-CD1 4.41Å; L137-Y148 HydrophobicContact CD1-CE1 3.86Å; L137-Y148 HydrophobicContact CD2-CD1 4.24Å; L137-Y148 HydrophobicContact CD2-CE1 3.78Å; L137-Y148 HydrophobicContact CG-CE1 4.36Å; L137-F306 PolarHBondContact N-O 2.95Å; L137-F306 PolarHBondContact O-N 3.39Å; L137-L315 HydrophobicContact CD2-CD1 4.08Å; L137-L315 HydrophobicContact CD2-CD2 3.78Å; L137-K342 HydrophobicContact CD2-CB 3.99Å; L137-K342 WeakPolarHBondContact CD2-O 3.43Å
138F98.7Very high97.7Very high1 Ų131 Ų310%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-91.5131.9170.4-77.6-105.3000111.4E117 V120 L121 L124 C303 S304 A305 R348 D351 A352E117-F138 HydrophobicContact CG-CD2 3.85Å; E117-F138 HydrophobicContact CG-CE2 4.27Å; E117-F138 WeakPolarHBondContact OE2-CB 3.39Å; E117-F138 WeakPolarHBondContact OE2-CD2 3.28Å; V120-F138 HydrophobicContact CB-CE2 4.44Å; V120-F138 HydrophobicContact CG1-CE2 3.95Å; V120-F138 HydrophobicContact CG1-CZ 3.6Å; L121-F138 HydrophobicContact CD2-CD2 4.14Å; L121-F138 HydrophobicContact CD2-CE2 3.84Å; L121-F138 HydrophobicContact CG-CD2 4.46Å; L121-F138 HydrophobicContact CG-CE2 4.1Å; L124-F138 HydrophobicContact CD1-CZ 4.27Å; F138-C303 VanDerWaalsContact CE1-SG 3.58Å; F138-S304 CarbonylContact C-O 3.58Å; F138-S304 WeakPolarHBondContact CA-O 3.34Å; F138-A305 HydrophobicContact CD1-CB 4.44Å; F138-A305 HydrophobicContact CE1-CB 4.02Å; F138-A305 HydrophobicContact CE2-CB 4.29Å; F138-A305 HydrophobicContact CZ-CB 3.93Å; F138-R348 PolarHBondContact O-NH1 3.1Å; F138-D351 HydrophobicContact CD1-CB 4.49Å; F138-A352 HydrophobicContact CD1-CB 4.44Å; F138-A352 HydrophobicContact CD2-CB 3.65Å; F138-A352 HydrophobicContact CE1-CB 4.34Å; F138-A352 HydrophobicContact CE2-CB 3.5Å; F138-A352 HydrophobicContact CG-CB 4.13Å; F138-A352 HydrophobicContact CZ-CB 3.89Å
139N98.4Very high97.7Very high1 Ų130.8 Ų30.81%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-107.4162.2177.2-60.8104.5000112L137 G141 M144 S145 Y148 S304 F306L137-N139 WeakPolarHBondContact CD1-ND2 3.36Å; N139-G141 PolarHBondContact O-N 3.24Å; N139-M144 HydrophobicContact CB-CB 3.89Å; N139-S145 PolarHBondContact OD1-OG 3.05Å; N139-Y148 WeakPolarHBondContact ND2-CD2 3.46Å; N139-Y148 WeakPolarHBondContact ND2-CE2 3.38Å; N139-Y148 VanDerWaalsContact ND2-CZ 3.27Å; N139-S304 PolarHBondContact N-O 2.93Å; N139-S304 WeakPolarHBondContact O-CB 3.46Å; N139-F306 WeakPolarHBondContact OD1-CB 3.44Å
140A97.1Very high97.7Very high35 Ų3529.2 Ų29.229%0.28917%0.169SC..SBendtrans-70.958.7167.800000112.9Q302A140-Q302 VanDerWaalsContact C-CD 3.47Å; A140-Q302 VanDerWaalsContact C-OE1 3.3Å; A140-Q302 VanDerWaalsContact CA-OE1 3.23Å; A140-Q302 PolarHBondContact O-NE2 3.48Å; A140-Q302 PolarHBondContact O-OE1 2.95Å
141G98.1Very high97.8Very high7 Ų730.4 Ų30.47%0.07218%0.176CC..SBendtrans101.2157.3176.100000115.4N139 S143 M144 S145N139-G141 PolarHBondContact O-N 3.24Å; G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.47Å; G141-M144 WeakPolarHBondContact O-CB 3.39Å; G141-M144 PolarHBondContact O-N 3.3Å; G141-S145 PolarHBondContact O-N 2.87Å
142G98.6Very high98Very high8 Ų821.6 Ų21.68%0.08213%0.134CC..Hα-helixtrans-61.9-30-173.500000114.7M144 S145 N146 C265 N292 S304G142-M144 VanDerWaalsContact C-N 3.25Å; G142-M144 PolarHBondContact O-N 3.33Å; G142-S145 WeakPolarHBondContact O-CB 3.36Å; G142-S145 PolarHBondContact O-N 3.46Å; G142-S145 VanDerWaalsContact O-N 3.1Å; G142-N146 PolarHBondContact O-N 3.44Å; G142-C265 VanDerWaalsContact CA-SG 3.57Å; G142-N292 WeakPolarHBondContact CA-OD1 3.38Å; G142-S304 VanDerWaalsContact CA-OG 3.23Å; G142-S304 WeakPolarHBondContact CA-OG 3.14Å; G142-S304 PolarHBondContact N-OG 3.42Å; G142-S304 VanDerWaalsContact N-OG 3.09Å
143S98.8Very high98.3Very high53 Ų5314.3 Ų14.337%0.37110%0.101SC..Hα-helixtrans-59.2-38.1172.8-57.30000112.2G141 M147G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.47Å; S143-M147 WeakPolarHBondContact O-CB 3.32Å; S143-M147 PolarHBondContact O-N 2.92Å; S143-M147 VanDerWaalsContact O-N 3.07Å
144M98.6Very high98.5Very high51 Ų5114.2 Ų14.225%0.2519%0.092SC..Hα-helixtrans-71.2-39.1174.3-71.5-68.2-67.300110.8N139 G141 G142 N146 M147 Y148 V344N139-M144 HydrophobicContact CB-CB 3.89Å; G141-M144 WeakPolarHBondContact O-CB 3.39Å; G141-M144 PolarHBondContact O-N 3.3Å; G142-M144 VanDerWaalsContact C-N 3.25Å; G142-M144 PolarHBondContact O-N 3.33Å; M144-N146 PolarHBondContact O-N 2.98Å; M144-M147 HydrophobicContact CE-CE 3.37Å; M144-M147 CarbonylContact O-C 3.54Å; M144-M147 WeakPolarHBondContact O-CA 3.14Å; M144-M147 WeakPolarHBondContact O-CB 3.39Å; M144-M147 PolarHBondContact O-N 3.27Å; M144-M147 VanDerWaalsContact O-N 3.15Å; M144-M147 HydrophobicContact SD-CE 3.4Å; M144-M147 WeakPolarHBondContact SD-CE 3.27Å; M144-M147 HydrophobicContact SD-SD 4.35Å; M144-Y148 HydrophobicContact CE-CE2 4.22Å; M144-Y148 WeakPolarHBondContact O-CD2 3.34Å; M144-Y148 PolarHBondContact O-N 3.41Å; M144-V344 HydrophobicContact CE-CG2 4.07Å
145S98.8Very high98.5Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-60.9-43.7175.2-58.10000112.1N139 G141 G142 M147 Y148 A149 S290 S304 F306N139-S145 PolarHBondContact OD1-OG 3.05Å; G141-S145 PolarHBondContact O-N 2.87Å; G142-S145 WeakPolarHBondContact O-CB 3.36Å; G142-S145 PolarHBondContact O-N 3.46Å; G142-S145 VanDerWaalsContact O-N 3.1Å; S145-M147 VanDerWaalsContact C-N 3.29Å; S145-M147 PolarHBondContact O-N 2.95Å; S145-Y148 WeakPolarHBondContact O-CB 3.36Å; S145-Y148 PolarHBondContact O-N 3.12Å; S145-Y148 VanDerWaalsContact O-N 3.12Å; S145-A149 PolarHBondContact O-N 2.58Å; S145-S290 WeakPolarHBondContact CB-OG 3.43Å; S145-S304 PolarHBondContact OG-OG 3.41Å; S145-F306 WeakPolarHBondContact O-CD2 3.3Å
146N98.9Very high98.4Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-64.3-34.7173.8-69.5-8000112.1G142 M144 A149 L150 S183 I184 H261 D263 S290G142-N146 PolarHBondContact O-N 3.44Å; M144-N146 PolarHBondContact O-N 2.98Å; N146-A149 WeakPolarHBondContact O-CB 3.28Å; N146-A149 PolarHBondContact O-N 3.43Å; N146-L150 PolarHBondContact O-N 3.04Å; N146-L150 VanDerWaalsContact O-N 3.11Å; N146-S183 PolarHBondContact ND2-OG 3.47Å; N146-I184 HydrophobicContact CB-CD1 3.98Å; N146-H261 PolarHBondContact OD1-NE2 3.16Å; N146-D263 PolarHBondContact ND2-OD2 3.4Å; N146-S290 PolarHBondContact N-OG 3.09Å; N146-S290 VanDerWaalsContact OD1-CB 3.23Å; N146-S290 WeakPolarHBondContact OD1-CB 3.38Å; N146-S290 PolarHBondContact OD1-OG 3.27Å
147M98.8Very high98.3Very high29 Ų2922.9 Ų22.914%0.14312%0.117CC..Hα-helixtrans-65.8-41.2171.9-169.3179.173.600111.2S143 M144 S145 A149 L150 N151 A187 L190 M191S143-M147 WeakPolarHBondContact O-CB 3.32Å; S143-M147 PolarHBondContact O-N 2.92Å; S143-M147 VanDerWaalsContact O-N 3.07Å; M144-M147 HydrophobicContact CE-CE 3.37Å; M144-M147 CarbonylContact O-C 3.54Å; M144-M147 WeakPolarHBondContact O-CA 3.14Å; M144-M147 WeakPolarHBondContact O-CB 3.39Å; M144-M147 PolarHBondContact O-N 3.27Å; M144-M147 VanDerWaalsContact O-N 3.15Å; M144-M147 HydrophobicContact SD-CE 3.4Å; M144-M147 WeakPolarHBondContact SD-CE 3.27Å; M144-M147 HydrophobicContact SD-SD 4.35Å; S145-M147 VanDerWaalsContact C-N 3.29Å; S145-M147 PolarHBondContact O-N 2.95Å; M147-A149 VanDerWaalsContact C-N 3.32Å; M147-A149 PolarHBondContact O-N 3.34Å; M147-L150 PolarHBondContact O-N 3Å; M147-N151 PolarHBondContact O-N 3.39Å; M147-A187 HydrophobicContact CB-CB 4.05Å; M147-A187 HydrophobicContact CG-CB 4.03Å; M147-L190 HydrophobicContact SD-CD2 3.56Å; M147-L190 VanDerWaalsContact SD-CD2 3.56Å; M147-M191 HydrophobicContact CB-CE 4.3Å; M147-M191 HydrophobicContact CG-CE 3.31Å; M147-M191 WeakPolarHBondContact O-CE 3.2Å
148Y98.8Very high98.3Very high2 Ų224.7 Ų24.71%0.00812%0.124CC..Hα-helixtrans-60.5-43.6173.4-87.9-123.2000111.2L137 N139 M144 S145 L150 N151 L152 F306 L315 H319 S343 V344L137-Y148 HydrophobicContact CD1-CD1 4.41Å; L137-Y148 HydrophobicContact CD1-CE1 3.86Å; L137-Y148 HydrophobicContact CD2-CD1 4.24Å; L137-Y148 HydrophobicContact CD2-CE1 3.78Å; L137-Y148 HydrophobicContact CG-CE1 4.36Å; N139-Y148 WeakPolarHBondContact ND2-CD2 3.46Å; N139-Y148 WeakPolarHBondContact ND2-CE2 3.38Å; N139-Y148 VanDerWaalsContact ND2-CZ 3.27Å; M144-Y148 HydrophobicContact CE-CE2 4.22Å; M144-Y148 WeakPolarHBondContact O-CD2 3.34Å; M144-Y148 PolarHBondContact O-N 3.41Å; S145-Y148 WeakPolarHBondContact O-CB 3.36Å; S145-Y148 PolarHBondContact O-N 3.12Å; S145-Y148 VanDerWaalsContact O-N 3.12Å; Y148-L150 VanDerWaalsContact C-N 3.34Å; Y148-L150 PolarHBondContact O-N 3.23Å; Y148-N151 PolarHBondContact O-N 3.43Å; Y148-L152 HydrophobicContact CD1-CD1 4.49Å; Y148-L152 WeakPolarHBondContact O-CB 3.48Å; Y148-L152 WeakPolarHBondContact O-CD1 3.44Å; Y148-L152 PolarHBondContact O-N 3.32Å; Y148-F306 HydrophobicContact CD1-CD1 4.24Å; Y148-F306 HydrophobicContact CG-CD1 4.46Å; Y148-L315 HydrophobicContact CD1-CD2 4.03Å; Y148-L315 HydrophobicContact CE1-CD2 4.48Å; Y148-H319 AromaticContact CD1-CE1 3.36Å; Y148-H319 WeakPolarHBondContact CD1-CE1 3.18Å; Y148-H319 AromaticContact CE1-CE1 3.43Å; Y148-H319 VanDerWaalsContact CE1-CE1 3.43Å; Y148-H319 WeakPolarHBondContact CE1-CE1 3.41Å; Y148-H319 AromaticContact CE1-ND1 3.66Å; Y148-S343 VanDerWaalsContact OH-CA 3.29Å; Y148-S343 WeakPolarHBondContact OH-CA 3.47Å; Y148-S343 PolarHBondContact OH-OG 3.34Å; Y148-V344 HydrophobicContact CE2-CG1 4.25Å; Y148-V344 HydrophobicContact CE2-CG2 3.69Å; Y148-V344 WeakPolarHBondContact OH-CG2 3.49Å; Y148-V344 PolarHBondContact OH-N 2.74Å
149A98.9Very high98.2Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-54.3-50.2176.400000112.1S145 N146 M147 N151 L152 A153 M230 H261 F306S145-A149 PolarHBondContact O-N 2.58Å; N146-A149 WeakPolarHBondContact O-CB 3.28Å; N146-A149 PolarHBondContact O-N 3.43Å; M147-A149 VanDerWaalsContact C-N 3.32Å; M147-A149 PolarHBondContact O-N 3.34Å; A149-N151 PolarHBondContact O-N 3.49Å; A149-L152 PolarHBondContact O-N 3.14Å; A149-A153 WeakPolarHBondContact O-CB 3.39Å; A149-A153 PolarHBondContact O-N 3.31Å; A149-M230 HydrophobicContact CB-CE 3.79Å; A149-H261 HydrophobicContact CB-CB 4.16Å; A149-H261 VanDerWaalsContact CB-CG 3.49Å; A149-H261 WeakPolarHBondContact CB-ND1 3.1Å; A149-F306 HydrophobicContact CB-CE2 3.65Å; A149-F306 HydrophobicContact CB-CZ 4.21Å
150L98.7Very high98.2Very high2 Ų231.9 Ų31.91%0.0116%0.163CC..Hα-helixtrans-61.2-42.6178.2-174.571.4000112.2N146 M147 Y148 R154 V174 A187 A188 M191 I193 F229 M230N146-L150 PolarHBondContact O-N 3.04Å; N146-L150 VanDerWaalsContact O-N 3.11Å; M147-L150 PolarHBondContact O-N 3Å; Y148-L150 VanDerWaalsContact C-N 3.34Å; Y148-L150 PolarHBondContact O-N 3.23Å; L150-R154 WeakPolarHBondContact O-CB 3.42Å; L150-R154 PolarHBondContact O-N 2.9Å; L150-V174 HydrophobicContact CD1-CB 4.48Å; L150-V174 HydrophobicContact CD1-CG1 4.21Å; L150-V174 HydrophobicContact CD1-CG2 3.42Å; L150-V174 VanDerWaalsContact CD1-CG2 3.42Å; L150-A187 HydrophobicContact CD2-CB 3.65Å; L150-A188 HydrophobicContact CD2-CB 4.34Å; L150-M191 HydrophobicContact CB-CE 3.86Å; L150-M191 HydrophobicContact CB-SD 4.21Å; L150-M191 HydrophobicContact CD2-CE 3.91Å; L150-M191 HydrophobicContact CD2-CG 4.44Å; L150-M191 HydrophobicContact CD2-SD 3.65Å; L150-M191 HydrophobicContact CG-CE 4.05Å; L150-M191 HydrophobicContact CG-SD 3.78Å; L150-I193 HydrophobicContact CD1-CD1 4.09Å; L150-I193 HydrophobicContact CD2-CD1 3.93Å; L150-I193 HydrophobicContact CG-CD1 4.02Å; L150-F229 HydrophobicContact CD1-CE2 4.19Å; L150-F229 HydrophobicContact CD1-CZ 3.64Å; L150-M230 HydrophobicContact CB-SD 4.11Å; L150-M230 HydrophobicContact CD1-SD 3.55Å; L150-M230 VanDerWaalsContact CD1-SD 3.55Å; L150-M230 HydrophobicContact CG-SD 4.44Å
151N98.8Very high98.2Very high31 Ų3130.8 Ų30.817%0.16615%0.152CC..Hα-helixtrans-68.3-42-178.8-165.344.2000111.4M147 Y148 A149 R154 Y155 M191 C318 H319M147-N151 PolarHBondContact O-N 3.39Å; Y148-N151 PolarHBondContact O-N 3.43Å; A149-N151 PolarHBondContact O-N 3.49Å; N151-R154 PolarHBondContact O-N 3.26Å; N151-R154 PolarHBondContact OD1-NH2 3.44Å; N151-Y155 WeakPolarHBondContact O-CB 3.28Å; N151-Y155 PolarHBondContact O-N 2.93Å; N151-M191 HydrophobicContact CB-CE 3.59Å; N151-M191 HydrophobicContact CB-SD 4.12Å; N151-C318 PolarHBondContact ND2-SG 2.89Å; N151-H319 PolarHBondContact ND2-CD2 2.84Å; N151-H319 PolarHBondContact ND2-NE2 3.15Å
152L98.7Very high98.2Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-66.5-44.3178.3-9279.7000111.6Y148 A149 R154 Y155 R156 W259 F306 V308 L314 L315 H319Y148-L152 HydrophobicContact CD1-CD1 4.49Å; Y148-L152 WeakPolarHBondContact O-CB 3.48Å; Y148-L152 WeakPolarHBondContact O-CD1 3.44Å; Y148-L152 PolarHBondContact O-N 3.32Å; A149-L152 PolarHBondContact O-N 3.14Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 3.11Å; L152-Y155 PolarHBondContact O-N 3Å; L152-R156 WeakPolarHBondContact O-CB 3.41Å; L152-R156 PolarHBondContact O-N 3.47Å; L152-W259 HydrophobicContact CB-CH2 4.12Å; L152-W259 HydrophobicContact CB-CZ2 4.31Å; L152-W259 HydrophobicContact CD2-CH2 4.42Å; L152-F306 HydrophobicContact CD1-CE1 4.23Å; L152-F306 HydrophobicContact CD2-CE1 3.98Å; L152-F306 HydrophobicContact CD2-CZ 4.27Å; L152-V308 HydrophobicContact CD2-CB 4.49Å; L152-V308 HydrophobicContact CD2-CG2 4.1Å; L152-L314 HydrophobicContact CD2-CD2 4.06Å; L152-L314 HydrophobicContact CD2-CG 4.11Å; L152-L314 HydrophobicContact CG-CG 4.41Å; L152-L315 HydrophobicContact CD1-CD2 3.85Å; L152-L315 HydrophobicContact CD2-CD2 3.87Å; L152-L315 HydrophobicContact CD2-CG 3.94Å; L152-L315 HydrophobicContact CG-CD2 4.45Å; L152-H319 VanDerWaalsContact CD1-CE1 3.47Å; L152-H319 WeakPolarHBondContact CD1-CE1 3.37Å
153A98.6Very high98.1Very high0 Ų042.9 Ų42.90%020%0.203CC..Hα-helixtrans-57.5-44.4175.300000110.8A149 H157 F229 M230 W259A149-A153 WeakPolarHBondContact O-CB 3.39Å; A149-A153 PolarHBondContact O-N 3.31Å; A153-H157 PolarHBondContact O-N 3.38Å; A153-H157 PolarHBondContact O-ND1 3.49Å; A153-F229 HydrophobicContact CB-CD2 3.85Å; A153-F229 HydrophobicContact CB-CE2 3.76Å; A153-M230 HydrophobicContact CB-CB 4.07Å; A153-M230 HydrophobicContact CB-CG 4.12Å; A153-M230 HydrophobicContact CB-SD 4.03Å; A153-W259 HydrophobicContact CB-CB 3.63Å; A153-W259 HydrophobicContact CB-CD2 3.74Å; A153-W259 HydrophobicContact CB-CE3 4.21Å; A153-W259 HydrophobicContact CB-CG 3.46Å; A153-W259 VanDerWaalsContact CB-CG 3.46Å
154R97.8Very high98.1Very high24 Ų2445.8 Ų45.89%0.09121%0.213CC..Hα-helixtrans-63.9-50.4176.9179.217668170.9-5.4112L150 N151 L152 R156 H157 F158 I161 N166 L172 M191 F229L150-R154 WeakPolarHBondContact O-CB 3.42Å; L150-R154 PolarHBondContact O-N 2.9Å; N151-R154 PolarHBondContact O-N 3.26Å; N151-R154 PolarHBondContact OD1-NH2 3.44Å; L152-R154 VanDerWaalsContact C-N 3.27Å; L152-R154 PolarHBondContact O-N 3.11Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 3.46Å; R154-H157 PolarHBondContact O-N 3.16Å; R154-F158 PolarHBondContact O-N 3.09Å; R154-I161 HydrophobicContact CG-CD1 3.49Å; R154-I161 VanDerWaalsContact CG-CD1 3.49Å; R154-N166 PolarHBondContact NH1-OD1 2.84Å; R154-L172 HydrophobicContact CG-CD1 3.88Å; R154-M191 PolarHBondContact NH1-O 3.27Å; R154-F229 HydrophobicContact CB-CE2 3.88Å; R154-F229 HydrophobicContact CB-CZ 4.4Å
155Y98.4Very high98Very high34 Ų3444.8 Ų44.813%0.13322%0.216CC..Hα-helixtrans-63.5-34.7179.7178.3-99.3000112.7N151 L152 H157 F158 P159 K162 L314 R317 C318N151-Y155 WeakPolarHBondContact O-CB 3.28Å; N151-Y155 PolarHBondContact O-N 2.93Å; L152-Y155 PolarHBondContact O-N 3Å; Y155-H157 VanDerWaalsContact C-N 3.33Å; Y155-H157 PolarHBondContact O-N 2.81Å; Y155-F158 CarbonylContact O-C 3.51Å; Y155-P159 HydrophobicContact CD2-CB 4.26Å; Y155-P159 HydrophobicContact CE2-CB 3.89Å; Y155-P159 WeakPolarHBondContact O-CA 2.95Å; Y155-P159 WeakPolarHBondContact O-CD 3.38Å; Y155-P159 VanDerWaalsContact O-N 3.1Å; Y155-K162 HydrophobicContact CD2-CB 4.02Å; Y155-K162 HydrophobicContact CD2-CD 4.46Å; Y155-K162 HydrophobicContact CE2-CB 3.89Å; Y155-K162 HydrophobicContact CE2-CD 3.82Å; Y155-K162 HydrophobicContact CE2-CG 4.42Å; Y155-L314 HydrophobicContact CD1-CD1 3.73Å; Y155-L314 HydrophobicContact CE1-CD1 4.01Å; Y155-R317 HydrophobicContact CE1-CB 3.97Å; Y155-R317 PolarHBondContact OH-O 3.42Å; Y155-C318 WeakPolarHBondContact CB-SG 3.47Å; Y155-C318 HydrophobicContact CD1-CB 3.6Å; Y155-C318 HydrophobicContact CD2-CB 4.48Å; Y155-C318 HydrophobicContact CE1-CB 4.04Å; Y155-C318 HydrophobicContact CG-CB 3.86Å
156R97.4Very high97.8Very high134 Ų13447.3 Ų47.351%0.50623%0.23SC..Hα-helixtrans-65.3-36.7176.1179.1170.1175.7-174-0.4112.4L152 R154 W259 D287 L314L152-R156 WeakPolarHBondContact O-CB 3.41Å; L152-R156 PolarHBondContact O-N 3.47Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 3.46Å; R156-W259 HydrophobicContact CB-CE3 4.49Å; R156-W259 HydrophobicContact CB-CZ3 4.32Å; R156-W259 VanDerWaalsContact CD-CZ3 3.46Å; R156-D287 IonicContact CZ-OD1 2.69Å; R156-D287 IonicContact NH1-OD1 3.83Å; R156-D287 PolarHBondContact NH1-OD1 3.4Å; R156-L314 HydrophobicContact CB-CD1 4.5Å; R156-L314 HydrophobicContact CB-CD2 4.48Å
157H96.1Very high97.7Very high65 Ų6552.6 Ų52.630%0.30127%0.267SS..Hα-helixtrans-83.2-37.9179.3-73.582000112.6A153 R154 Y155 F229 K257A153-H157 PolarHBondContact O-N 3.38Å; A153-H157 PolarHBondContact O-ND1 3.49Å; R154-H157 PolarHBondContact O-N 3.16Å; Y155-H157 VanDerWaalsContact C-N 3.33Å; Y155-H157 PolarHBondContact O-N 2.81Å; H157-F229 PolarHBondContact CE1-O 3.23Å; H157-K257 PolarHBondContact NE2-O 3.13Å
158F97Very high97.5Very high41 Ų4153 Ų5318%0.1828%0.275CS..  trans-138.175-174.4-61.3-81.1000110R154 Y155 E160 I161 A169 P170 L172 V227R154-F158 PolarHBondContact O-N 3.09Å; Y155-F158 CarbonylContact O-C 3.51Å; F158-E160 PolarHBondContact O-N 2.86Å; F158-I161 HydrophobicContact CB-CD1 3.57Å; F158-I161 HydrophobicContact CB-CG1 3.83Å; F158-I161 HydrophobicContact CG-CD1 4.35Å; F158-I161 WeakPolarHBondContact O-CB 3.41Å; F158-I161 PolarHBondContact O-N 3.18Å; F158-A169 HydrophobicContact CB-CB 4.16Å; F158-A169 HydrophobicContact CD1-CB 3.93Å; F158-A169 HydrophobicContact CD2-CB 4.14Å; F158-A169 HydrophobicContact CE1-CB 4.38Å; F158-A169 HydrophobicContact CG-CB 3.8Å; F158-P170 HydrophobicContact CE1-CG 4.27Å; F158-P170 HydrophobicContact CZ-CG 3.99Å; F158-L172 HydrophobicContact CD2-CD1 4.47Å; F158-L172 HydrophobicContact CD2-CD2 3.69Å; F158-L172 HydrophobicContact CE2-CD2 3.3Å; F158-L172 HydrophobicContact CZ-CD2 4.1Å; F158-V227 HydrophobicContact CE2-CG1 4.12Å; F158-V227 HydrophobicContact CZ-CG1 4.11Å
159P97.3Very high97.3Very high52 Ų5253.7 Ų53.734%0.33828%0.281SS..THydrogen-bonded Turntrans-61.4-26.7-176.424.1-34000113.2Y155 I161 K162Y155-P159 HydrophobicContact CD2-CB 4.26Å; Y155-P159 HydrophobicContact CE2-CB 3.89Å; Y155-P159 WeakPolarHBondContact O-CA 2.95Å; Y155-P159 WeakPolarHBondContact O-CD 3.38Å; Y155-P159 VanDerWaalsContact O-N 3.1Å; P159-I161 PolarHBondContact O-N 3.14Å; P159-K162 WeakPolarHBondContact O-CB 3.43Å; P159-K162 PolarHBondContact O-N 3.18Å; P159-K162 VanDerWaalsContact O-N 3.14Å
160E97.5Very high97.2Very high102 Ų10256.7 Ų56.748%0.47730%0.301SS..THydrogen-bonded Turntrans-61.9-25.5178.6-57.979.1-17400112.3F158 K162 E163 L164 A168F158-E160 PolarHBondContact O-N 2.86Å; E160-K162 PolarHBondContact O-N 3.39Å; E160-K162 VanDerWaalsContact O-N 3.1Å; E160-E163 PolarHBondContact O-N 3.41Å; E160-L164 HydrophobicContact CB-CD1 4.18Å; E160-L164 WeakPolarHBondContact O-CB 3.33Å; E160-L164 PolarHBondContact O-N 3.35Å; E160-A168 HydrophobicContact CB-CB 4.18Å
161I97.4Very high97.2Very high12 Ų1261.2 Ų61.26%0.06232%0.317CS..Hα-helixtrans-56-29.7175.8-70.1176.8000111.5R154 F158 P159 E163 G165 A169 L172R154-I161 HydrophobicContact CG-CD1 3.49Å; R154-I161 VanDerWaalsContact CG-CD1 3.49Å; F158-I161 HydrophobicContact CB-CD1 3.57Å; F158-I161 HydrophobicContact CB-CG1 3.83Å; F158-I161 HydrophobicContact CG-CD1 4.35Å; F158-I161 WeakPolarHBondContact O-CB 3.41Å; F158-I161 PolarHBondContact O-N 3.18Å; P159-I161 PolarHBondContact O-N 3.14Å; I161-E163 PolarHBondContact O-N 3.33Å; I161-G165 VanDerWaalsContact O-CA 3.25Å; I161-G165 WeakPolarHBondContact O-CA 3.16Å; I161-G165 PolarHBondContact O-N 2.94Å; I161-A169 HydrophobicContact CD1-CB 3.54Å; I161-A169 HydrophobicContact CG1-CB 3.97Å; I161-L172 HydrophobicContact CD1-CD1 4.16Å
162K97.6Very high97.1Very high93 Ų9360.2 Ų60.240%0.40431%0.312SS..Hα-helixtrans-57.6-37.2178.2-173.9-179.1-179.8-175.90112Y155 P159 E160 R317 C318 S320Y155-K162 HydrophobicContact CD2-CB 4.02Å; Y155-K162 HydrophobicContact CD2-CD 4.46Å; Y155-K162 HydrophobicContact CE2-CB 3.89Å; Y155-K162 HydrophobicContact CE2-CD 3.82Å; Y155-K162 HydrophobicContact CE2-CG 4.42Å; P159-K162 WeakPolarHBondContact O-CB 3.43Å; P159-K162 PolarHBondContact O-N 3.18Å; P159-K162 VanDerWaalsContact O-N 3.14Å; E160-K162 PolarHBondContact O-N 3.39Å; E160-K162 VanDerWaalsContact O-N 3.1Å; K162-R317 PolarHBondContact NZ-O 3.42Å; K162-C318 WeakPolarHBondContact CD-O 3.37Å; K162-C318 VanDerWaalsContact CE-O 3.26Å; K162-C318 WeakPolarHBondContact CE-O 3.21Å; K162-S320 PolarHBondContact NZ-O 3.14Å
163E97.4Very high97.1Very high175 Ų17560.2 Ų60.282%0.81831%0.312SS*.Hα-helixtrans-105-39.7-175.7-63.3-174175.900112.4E160 I161E160-E163 PolarHBondContact O-N 3.41Å; I161-E163 PolarHBondContact O-N 3.33Å
164L97.9Very high97.1Very high114 Ų11460.2 Ų60.260%0.59731%0.312SS*.Hα-helixtrans-95.1-9.7-173.8-58.7-176.1000113.5E160 S167 A168E160-L164 HydrophobicContact CB-CD1 4.18Å; E160-L164 WeakPolarHBondContact O-CB 3.33Å; E160-L164 PolarHBondContact O-N 3.35Å; L164-S167 PolarHBondContact O-OG 3.07Å; L164-A168 HydrophobicContact CB-CB 3.63Å; L164-A168 HydrophobicContact CD1-CB 4Å; L164-A168 HydrophobicContact CG-CB 4.43Å
165G97.4Very high97.2Very high30 Ų3059 Ų5931%0.30931%0.308SS..  trans75.3-175.5-174.700000113.5I161 S167 A168I161-G165 VanDerWaalsContact O-CA 3.25Å; I161-G165 WeakPolarHBondContact O-CA 3.16Å; I161-G165 PolarHBondContact O-N 2.94Å; G165-S167 PolarHBondContact O-N 3.11Å; G165-S167 VanDerWaalsContact O-N 3.11Å; G165-A168 WeakPolarHBondContact O-CB 3.45Å; G165-A168 PolarHBondContact O-N 3.32Å; G165-A168 VanDerWaalsContact O-N 3.13Å
166N95.3Very high97.2Very high53 Ų5357.5 Ų57.528%0.28330%0.302SS..G310 helixtrans-64.5-17.4-173.7-71.6-20.4000114.5R154 A168 A169 M191 G192R154-N166 PolarHBondContact NH1-OD1 2.84Å; N166-A168 PolarHBondContact O-N 3.29Å; N166-A169 PolarHBondContact O-N 3.14Å; N166-A169 VanDerWaalsContact O-N 3.13Å; N166-M191 PolarHBondContact ND2-O 2.86Å; N166-G192 WeakPolarHBondContact ND2-CA 3.32Å; N166-G192 PolarHBondContact ND2-O 3.19Å
167S95.5Very high97.3Very high112 Ų11251.1 Ų51.178%0.78328%0.278SS*.G310 helixtrans-65.2-18.8175.349.80000113L164 G165 A169L164-S167 PolarHBondContact O-OG 3.07Å; G165-S167 PolarHBondContact O-N 3.11Å; G165-S167 VanDerWaalsContact O-N 3.11Å; S167-A169 PolarHBondContact O-N 2.81Å
168A95.5Very high97.4Very high37 Ų3752.8 Ų52.831%0.30629%0.285SS..G310 helixtrans-77.9-0.9174.200000113.9E160 L164 G165 N166E160-A168 HydrophobicContact CB-CB 4.18Å; L164-A168 HydrophobicContact CB-CB 3.63Å; L164-A168 HydrophobicContact CD1-CB 4Å; L164-A168 HydrophobicContact CG-CB 4.43Å; G165-A168 WeakPolarHBondContact O-CB 3.45Å; G165-A168 PolarHBondContact O-N 3.32Å; G165-A168 VanDerWaalsContact O-N 3.13Å; N166-A168 PolarHBondContact O-N 3.29Å
169A95.4Very high97.4Very high17 Ų1751.4 Ų51.414%0.1428%0.28CS..SBendtrans-126.215317600000112.2F158 I161 N166 S167 L172F158-A169 HydrophobicContact CB-CB 4.16Å; F158-A169 HydrophobicContact CD1-CB 3.93Å; F158-A169 HydrophobicContact CD2-CB 4.14Å; F158-A169 HydrophobicContact CE1-CB 4.38Å; F158-A169 HydrophobicContact CG-CB 3.8Å; I161-A169 HydrophobicContact CD1-CB 3.54Å; I161-A169 HydrophobicContact CG1-CB 3.97Å; N166-A169 PolarHBondContact O-N 3.14Å; N166-A169 VanDerWaalsContact O-N 3.13Å; S167-A169 PolarHBondContact O-N 2.81Å; A169-L172 HydrophobicContact CB-CD1 4.36Å; A169-L172 HydrophobicContact CB-CD2 4.26Å; A169-L172 HydrophobicContact CB-CG 4.33Å
170P96Very high97.4Very high63 Ų6350.3 Ų50.341%0.40927%0.273SS..  trans-67.8-176.6170.331.1-36000111.3F158 L172 V227F158-P170 HydrophobicContact CE1-CG 4.27Å; F158-P170 HydrophobicContact CZ-CG 3.99Å; P170-L172 PolarHBondContact O-N 3.28Å; P170-V227 HydrophobicContact CB-CG2 4.13Å; P170-V227 HydrophobicContact CG-CB 4.15Å; P170-V227 HydrophobicContact CG-CG2 3.42Å; P170-V227 VanDerWaalsContact CG-CG2 3.42Å
171R97.5Very high97.5Very high96 Ų9647 Ų4736%0.36226%0.257SS..  trans-62.698.7175.1-174.1-176.771.2164.87.4110.6N197 E224 G226 V227R171-N197 WeakPolarHBondContact CD-OD1 3.37Å; R171-N197 WeakPolarHBondContact CG-OD1 3.14Å; R171-E224 IonicContact CZ-OE2 3.64Å; R171-E224 IonicContact NH1-OE2 3.49Å; R171-E224 PolarHBondContact NH1-OE2 2.75Å; R171-E224 VanDerWaalsContact NH1-OE2 3.15Å; R171-E224 IonicContact NH2-OE2 3.32Å; R171-E224 PolarHBondContact NH2-OE2 3.05Å; R171-G226 CarbonylContact O-C 3.56Å; R171-G226 WeakPolarHBondContact O-CA 3.47Å; R171-V227 PolarHBondContact O-N 2.82Å
172L98.3Very high97.5Very high10 Ų1052.7 Ų52.75%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-74.3144177.1-59-175.9000111.5R154 F158 I161 A169 P170 N197 V227 F229R154-L172 HydrophobicContact CG-CD1 3.88Å; F158-L172 HydrophobicContact CD2-CD1 4.47Å; F158-L172 HydrophobicContact CD2-CD2 3.69Å; F158-L172 HydrophobicContact CE2-CD2 3.3Å; F158-L172 HydrophobicContact CZ-CD2 4.1Å; I161-L172 HydrophobicContact CD1-CD1 4.16Å; A169-L172 HydrophobicContact CB-CD1 4.36Å; A169-L172 HydrophobicContact CB-CD2 4.26Å; A169-L172 HydrophobicContact CB-CG 4.33Å; P170-L172 PolarHBondContact O-N 3.28Å; L172-N197 VanDerWaalsContact O-CB 3.31Å; L172-N197 WeakPolarHBondContact O-CB 3.29Å; L172-V227 CarbonylContact C-O 3.48Å; L172-V227 WeakPolarHBondContact CA-O 3.31Å; L172-V227 HydrophobicContact CD2-CB 4.25Å; L172-V227 HydrophobicContact CD2-CG1 4.39Å; L172-F229 HydrophobicContact CB-CD1 3.74Å; L172-F229 HydrophobicContact CB-CE1 3.69Å; L172-F229 HydrophobicContact CD1-CD1 4.45Å; L172-F229 HydrophobicContact CD1-CE1 4.29Å; L172-F229 HydrophobicContact CD2-CD1 4.42Å; L172-F229 HydrophobicContact CG-CD1 4.43Å
173A98.6Very high97.6Very high0 Ų048.4 Ų48.40%026%0.26CS..EExtended strand (participates in β ladder)trans-127.3134.117800000112.5F175 F199 V221 V227 F229A173-F175 HydrophobicContact CB-CE2 4.04Å; A173-F175 HydrophobicContact CB-CZ 4.08Å; A173-F199 HydrophobicContact CB-CD2 3.81Å; A173-F199 HydrophobicContact CB-CE2 3.59Å; A173-V221 HydrophobicContact CB-CB 4.48Å; A173-V221 HydrophobicContact CB-CG1 3.52Å; A173-V221 HydrophobicContact CB-CG2 4.29Å; A173-V227 PolarHBondContact N-O 2.99Å; A173-F229 WeakPolarHBondContact O-CD1 3.44Å; A173-F229 PolarHBondContact O-N 2.89Å; A173-F229 VanDerWaalsContact O-N 3.15Å
174V98.8Very high97.6Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-113.6136.9175.9-173.90000108.6L150 I184 N197 V198 F199 F229 M230L150-V174 HydrophobicContact CD1-CB 4.48Å; L150-V174 HydrophobicContact CD1-CG1 4.21Å; L150-V174 HydrophobicContact CD1-CG2 3.42Å; L150-V174 VanDerWaalsContact CD1-CG2 3.42Å; V174-I184 HydrophobicContact CG1-CG2 4.14Å; V174-N197 PolarHBondContact N-O 3.47Å; V174-V198 CarbonylContact O-C 3.4Å; V174-V198 WeakPolarHBondContact O-CA 3.42Å; V174-F199 PolarHBondContact O-N 2.86Å; V174-F229 HydrophobicContact CG2-CD1 4.43Å; V174-F229 HydrophobicContact CG2-CE1 3.4Å; V174-F229 VanDerWaalsContact CG2-CE1 3.4Å; V174-F229 HydrophobicContact CG2-CZ 3.59Å; V174-M230 WeakPolarHBondContact CA-O 3.26Å; V174-M230 HydrophobicContact CG1-CB 4.4Å; V174-M230 HydrophobicContact CG1-CG 4.47Å; V174-M230 HydrophobicContact CG1-SD 4.32Å
175F98.9Very high97.7Very high0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-112.1138177.3-55-95.2000110A173 F199 V201 L214 Q217 I218 V221 P228 M230 V231 N232A173-F175 HydrophobicContact CB-CE2 4.04Å; A173-F175 HydrophobicContact CB-CZ 4.08Å; F175-F199 WeakPolarHBondContact CA-O 3.46Å; F175-F199 HydrophobicContact CD1-CB 3.57Å; F175-F199 HydrophobicContact CD1-CG 4.29Å; F175-F199 HydrophobicContact CE1-CB 3.75Å; F175-F199 HydrophobicContact CE1-CD2 4.28Å; F175-F199 AromaticContact CE1-CG 3.97Å; F175-F199 HydrophobicContact CE1-CG 3.97Å; F175-F199 HydrophobicContact CG-CB 4.37Å; F175-F199 HydrophobicContact CZ-CD2 4.48Å; F175-V201 HydrophobicContact CB-CG2 4.08Å; F175-L214 HydrophobicContact CB-CD1 3.54Å; F175-L214 HydrophobicContact CD1-CD1 4.18Å; F175-L214 HydrophobicContact CG-CD1 3.88Å; F175-Q217 HydrophobicContact CD1-CB 3.99Å; F175-Q217 HydrophobicContact CE1-CB 3.79Å; F175-I218 HydrophobicContact CD1-CG1 4.28Å; F175-I218 HydrophobicContact CD2-CG1 4.15Å; F175-I218 HydrophobicContact CE1-CG1 4.04Å; F175-I218 HydrophobicContact CE2-CG1 3.94Å; F175-I218 HydrophobicContact CG-CG1 4.34Å; F175-I218 HydrophobicContact CZ-CB 4.43Å; F175-I218 HydrophobicContact CZ-CG1 3.87Å; F175-V221 HydrophobicContact CE1-CG2 4Å; F175-V221 HydrophobicContact CZ-CB 4.1Å; F175-V221 HydrophobicContact CZ-CG1 4.47Å; F175-V221 HydrophobicContact CZ-CG2 3.78Å; F175-P228 HydrophobicContact CE2-CB 3.64Å; F175-P228 HydrophobicContact CE2-CG 4.05Å; F175-P228 HydrophobicContact CZ-CB 4.18Å; F175-P228 HydrophobicContact CZ-CG 4.08Å; F175-M230 PolarHBondContact N-O 3.33Å; F175-V231 HydrophobicContact CB-CG1 4.47Å; F175-V231 HydrophobicContact CB-CG2 4.24Å; F175-V231 HydrophobicContact CD2-CG2 4.39Å; F175-V231 CarbonylContact O-C 3.52Å; F175-V231 WeakPolarHBondContact O-CA 3.28Å; F175-N232 PolarHBondContact O-N 2.97Å
176T98.9Very high97.7Very high1 Ų141.6 Ų41.61%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-152.7154.2179.9-170.10000110.8C180 I184 V198 F199 V200 V201 N232T176-C180 HydrophobicContact CG2-CB 4.31Å; T176-C180 WeakPolarHBondContact CG2-SG 3.3Å; T176-C180 WeakPolarHBondContact OG1-CB 3.21Å; T176-C180 PolarHBondContact OG1-SG 3.26Å; T176-I184 HydrophobicContact CG2-CG2 4.18Å; T176-V198 HydrophobicContact CG2-CG1 3.65Å; T176-F199 PolarHBondContact N-O 3.15Å; T176-V200 WeakPolarHBondContact O-CA 3.41Å; T176-V201 PolarHBondContact O-N 2.83Å; T176-N232 PolarHBondContact OG1-ND2 2.9Å
177S98.6Very high97.9Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-63149-179.7-174.70000110.9E179 C180 S203S177-E179 PolarHBondContact O-N 2.78Å; S177-E179 VanDerWaalsContact O-N 3.13Å; S177-E179 PolarHBondContact OG-N 3.14Å; S177-C180 WeakPolarHBondContact O-CB 3.32Å; S177-C180 PolarHBondContact O-N 3.43Å; S177-C180 PolarHBondContact O-SG 2.9Å; S177-S203 PolarHBondContact OG-OG 3.27Å
178Q97.9Very high98Very high100 Ų10034 Ų3447%0.46717%0.171SC..THydrogen-bonded Turntrans-54.4-25.4165.6-171.8177.319.300112.8V200 V201 R449Q178-V200 VanDerWaalsContact CA-CG1 3.41Å; Q178-V200 HydrophobicContact CB-CG1 3.72Å; Q178-V200 HydrophobicContact CG-CG1 4.08Å; Q178-V201 PolarHBondContact N-O 3.33Å; Q178-R449 VanDerWaalsContact OE1-NH2 3.13Å
179E98.1Very high98.2Very high13 Ų1334.8 Ų34.86%0.06118%0.178CC..THydrogen-bonded Turntrans-91.54.3177.2-61.3-49.412400114.9S177 G207 T237 H448 R449S177-E179 PolarHBondContact O-N 2.78Å; S177-E179 VanDerWaalsContact O-N 3.13Å; S177-E179 PolarHBondContact OG-N 3.14Å; E179-G207 VanDerWaalsContact CG-O 3.3Å; E179-G207 WeakPolarHBondContact CG-O 3.38Å; E179-T237 HydrophobicContact CB-CG2 3.51Å; E179-H448 IonicContact OE1-CE1 3.12Å; E179-H448 PolarHBondContact OE1-CE1 3.03Å; E179-H448 IonicContact OE1-NE2 3.21Å; E179-H448 PolarHBondContact OE1-NE2 3.1Å; E179-H448 IonicContact OE2-CE1 2.88Å; E179-H448 PolarHBondContact OE2-CE1 2.99Å; E179-H448 IonicContact OE2-ND1 2.68Å; E179-H448 IonicContact OE2-NE2 3.53Å; E179-H448 PolarHBondContact OE2-NE2 3.45Å; E179-H448 VanDerWaalsContact OE2-NE2 3.14Å; E179-R449 IonicContact OE1-CZ 3.72Å; E179-R449 IonicContact OE1-NE 2.87Å; E179-R449 PolarHBondContact OE1-NE 3.19Å; E179-R449 IonicContact OE1-NH2 3.84Å; E179-R449 PolarHBondContact OE1-NH2 3.13Å
180C97.7Very high98.3Very high28 Ų2840.4 Ų40.419%0.18921%0.205CC..SBendtrans-66.8160.3-174.875.90000112.8T176 S177T176-C180 HydrophobicContact CG2-CB 4.31Å; T176-C180 WeakPolarHBondContact CG2-SG 3.3Å; T176-C180 WeakPolarHBondContact OG1-CB 3.21Å; T176-C180 PolarHBondContact OG1-SG 3.26Å; S177-C180 WeakPolarHBondContact O-CB 3.32Å; S177-C180 PolarHBondContact O-N 3.43Å; S177-C180 PolarHBondContact O-SG 2.9Å
181H98.6Very high98.4Very high32 Ų3238.6 Ų38.615%0.14819%0.191CC..  trans-68.8136171.5-174.4-104.5000110.7S183 I184H181-S183 WeakPolarHBondContact ND1-CB 3.41Å; H181-S183 PolarHBondContact ND1-N 2.97Å; H181-S183 PolarHBondContact ND1-OG 3.49Å; H181-S183 PolarHBondContact O-N 3.12Å; H181-I184 PolarHBondContact O-N 2.65Å
182Y98.1Very high98.4Very high133 Ų13336.4 Ų36.452%0.52220%0.198SC..THydrogen-bonded Turntrans-57.1-12-178.263.6-100.1000114.6I184 S185 K186Y182-I184 PolarHBondContact O-N 2.78Å; Y182-S185 PolarHBondContact O-N 3.16Å; Y182-K186 HydrophobicContact CD2-CD 3.75Å; Y182-K186 HydrophobicContact CD2-CG 4.23Å; Y182-K186 HydrophobicContact CE2-CD 3.88Å; Y182-K186 PolarHBondContact O-N 3.15Å
183S98.8Very high98.4Very high2 Ų236.6 Ų36.61%0.01420%0.199CC..Hα-helixtrans-60.4-28.5177.157.80000113.4N146 H181 K186 A187N146-S183 PolarHBondContact ND2-OG 3.47Å; H181-S183 WeakPolarHBondContact ND1-CB 3.41Å; H181-S183 PolarHBondContact ND1-N 2.97Å; H181-S183 PolarHBondContact ND1-OG 3.49Å; H181-S183 PolarHBondContact O-N 3.12Å; S183-K186 PolarHBondContact O-N 2.75Å; S183-A187 VanDerWaalsContact O-CB 3.26Å; S183-A187 WeakPolarHBondContact O-CB 3.31Å; S183-A187 PolarHBondContact O-N 3.36Å
184I98.8Very high98.4Very high3 Ų338 Ų382%0.01521%0.213CC..Hα-helixtrans-63.8-48.5179.2-58.1-60.8000110.1N146 V174 T176 H181 Y182 K186 A187 A188 V198 N232N146-I184 HydrophobicContact CB-CD1 3.98Å; V174-I184 HydrophobicContact CG1-CG2 4.14Å; T176-I184 HydrophobicContact CG2-CG2 4.18Å; H181-I184 PolarHBondContact O-N 2.65Å; Y182-I184 PolarHBondContact O-N 2.78Å; I184-K186 PolarHBondContact O-N 3.43Å; I184-A187 PolarHBondContact O-N 3.06Å; I184-A188 PolarHBondContact O-N 2.76Å; I184-V198 HydrophobicContact CG2-CG1 4.05Å; I184-N232 HydrophobicContact CD1-CB 4.05Å; I184-N232 HydrophobicContact CG1-CB 4.33Å
185S98.4Very high98.4Very high41 Ų4141.9 Ų41.929%0.28724%0.237SC..Hα-helixtrans-63.2-39.4174.8-52.50000112.3Y182 A188 A189Y182-S185 PolarHBondContact O-N 3.16Å; S185-A188 PolarHBondContact O-N 2.98Å; S185-A189 WeakPolarHBondContact O-CB 3.38Å; S185-A189 PolarHBondContact O-N 2.91Å
186K98.8Very high98.3Very high132 Ų13251 Ų5157%0.57428%0.277SS*.Hα-helixtrans-62.7-43.4174.5-71.8-170.4176.5-175.40112.2Y182 S183 I184 A189 L190Y182-K186 HydrophobicContact CD2-CD 3.75Å; Y182-K186 HydrophobicContact CD2-CG 4.23Å; Y182-K186 HydrophobicContact CE2-CD 3.88Å; Y182-K186 PolarHBondContact O-N 3.15Å; S183-K186 PolarHBondContact O-N 2.75Å; I184-K186 PolarHBondContact O-N 3.43Å; K186-A189 PolarHBondContact O-N 3.01Å; K186-L190 WeakPolarHBondContact O-CB 3.45Å; K186-L190 PolarHBondContact O-N 2.77Å
187A98.6Very high98.3Very high5 Ų552.5 Ų52.54%0.04129%0.285CS..Hα-helixtrans-64-45.5178.200000111.1M147 L150 S183 I184 A189 L190 M191M147-A187 HydrophobicContact CB-CB 4.05Å; M147-A187 HydrophobicContact CG-CB 4.03Å; L150-A187 HydrophobicContact CD2-CB 3.65Å; S183-A187 VanDerWaalsContact O-CB 3.26Å; S183-A187 WeakPolarHBondContact O-CB 3.31Å; S183-A187 PolarHBondContact O-N 3.36Å; I184-A187 PolarHBondContact O-N 3.06Å; A187-A189 VanDerWaalsContact C-N 3.33Å; A187-A189 PolarHBondContact O-N 2.81Å; A187-L190 PolarHBondContact O-N 3.13Å; A187-M191 VanDerWaalsContact O-CB 3.31Å; A187-M191 WeakPolarHBondContact O-CB 3.41Å; A187-M191 VanDerWaalsContact O-CG 3.29Å; A187-M191 WeakPolarHBondContact O-CG 3.49Å; A187-M191 PolarHBondContact O-N 2.96Å
188A98.6Very high98.3Very high0 Ų053 Ų530%029%0.288CS..Hα-helixtrans-61.2-40.4176.700000112.7L150 I184 S185 G192 I193 G194 V198L150-A188 HydrophobicContact CD2-CB 4.34Å; I184-A188 PolarHBondContact O-N 2.76Å; S185-A188 PolarHBondContact O-N 2.98Å; A188-G192 PolarHBondContact O-N 3.41Å; A188-I193 HydrophobicContact CB-CB 4.25Å; A188-I193 HydrophobicContact CB-CG2 4.41Å; A188-I193 PolarHBondContact O-N 3.39Å; A188-G194 PolarHBondContact O-N 2.99Å; A188-V198 HydrophobicContact CB-CG2 3.3Å
189A98.6Very high98.4Very high54 Ų5450.3 Ų50.345%0.44628%0.275SS..Hα-helixtrans-63.1-51.6174.400000111.6S185 K186 A187 M191 G192 T195S185-A189 WeakPolarHBondContact O-CB 3.38Å; S185-A189 PolarHBondContact O-N 2.91Å; K186-A189 PolarHBondContact O-N 3.01Å; A187-A189 VanDerWaalsContact C-N 3.33Å; A187-A189 PolarHBondContact O-N 2.81Å; A189-M191 VanDerWaalsContact C-N 3.28Å; A189-M191 PolarHBondContact O-N 2.97Å; A189-G192 PolarHBondContact O-N 2.93Å; A189-G192 VanDerWaalsContact O-N 3.1Å; A189-T195 HydrophobicContact CB-CG2 3.99Å
190L98.5Very high98.4Very high136 Ų13653.3 Ų53.371%0.71229%0.294SS*.Hα-helixtrans-62.4-35.3-177.8-178.360.4000112.5M147 K186 A187 G192M147-L190 HydrophobicContact SD-CD2 3.56Å; M147-L190 VanDerWaalsContact SD-CD2 3.56Å; K186-L190 WeakPolarHBondContact O-CB 3.45Å; K186-L190 PolarHBondContact O-N 2.77Å; A187-L190 PolarHBondContact O-N 3.13Å; L190-G192 VanDerWaalsContact C-N 3.26Å; L190-G192 PolarHBondContact O-N 3.15Å
191M96.8Very high98.4Very high25 Ų2552 Ų5212%0.12329%0.285CS..THydrogen-bonded Turntrans-79.2-4.3178.5-73.7-164.8-161.600114.6M147 L150 N151 R154 N166 A187 A189 I193M147-M191 HydrophobicContact CB-CE 4.3Å; M147-M191 HydrophobicContact CG-CE 3.31Å; M147-M191 WeakPolarHBondContact O-CE 3.2Å; L150-M191 HydrophobicContact CB-CE 3.86Å; L150-M191 HydrophobicContact CB-SD 4.21Å; L150-M191 HydrophobicContact CD2-CE 3.91Å; L150-M191 HydrophobicContact CD2-CG 4.44Å; L150-M191 HydrophobicContact CD2-SD 3.65Å; L150-M191 HydrophobicContact CG-CE 4.05Å; L150-M191 HydrophobicContact CG-SD 3.78Å; N151-M191 HydrophobicContact CB-CE 3.59Å; N151-M191 HydrophobicContact CB-SD 4.12Å; R154-M191 PolarHBondContact NH1-O 3.27Å; N166-M191 PolarHBondContact ND2-O 2.86Å; A187-M191 VanDerWaalsContact O-CB 3.31Å; A187-M191 WeakPolarHBondContact O-CB 3.41Å; A187-M191 VanDerWaalsContact O-CG 3.29Å; A187-M191 WeakPolarHBondContact O-CG 3.49Å; A187-M191 PolarHBondContact O-N 2.96Å; A189-M191 VanDerWaalsContact C-N 3.28Å; A189-M191 PolarHBondContact O-N 2.97Å; M191-I193 VanDerWaalsContact C-N 3.31Å; M191-I193 HydrophobicContact CB-CD1 4.22Å; M191-I193 HydrophobicContact CB-CG1 4.34Å; M191-I193 HydrophobicContact SD-CD1 4.43Å
192G97.8Very high98.4Very high49 Ų4953.3 Ų53.351%0.50530%0.296SS..THydrogen-bonded Turntrans73.718-176.200000114.5N166 A188 A189 L190N166-G192 WeakPolarHBondContact ND2-CA 3.32Å; N166-G192 PolarHBondContact ND2-O 3.19Å; A188-G192 PolarHBondContact O-N 3.41Å; A189-G192 PolarHBondContact O-N 2.93Å; A189-G192 VanDerWaalsContact O-N 3.1Å; L190-G192 VanDerWaalsContact C-N 3.26Å; L190-G192 PolarHBondContact O-N 3.15Å
193I98.1Very high98.4Very high15 Ų1547.4 Ų47.48%0.07728%0.275CS..SBendtrans-76.6-35.3170.1-65.9164.6000109.5L150 A188 M191 N197 F229L150-I193 HydrophobicContact CD1-CD1 4.09Å; L150-I193 HydrophobicContact CD2-CD1 3.93Å; L150-I193 HydrophobicContact CG-CD1 4.02Å; A188-I193 HydrophobicContact CB-CB 4.25Å; A188-I193 HydrophobicContact CB-CG2 4.41Å; A188-I193 PolarHBondContact O-N 3.39Å; M191-I193 VanDerWaalsContact C-N 3.31Å; M191-I193 HydrophobicContact CB-CD1 4.22Å; M191-I193 HydrophobicContact CB-CG1 4.34Å; M191-I193 HydrophobicContact SD-CD1 4.43Å; I193-N197 HydrophobicContact CG2-CB 3.87Å; I193-N197 PolarHBondContact O-ND2 2.91Å; I193-F229 HydrophobicContact CD1-CZ 4.06Å
194G98.3Very high98.4Very high28 Ų2850.3 Ų50.329%0.28929%0.29SS..  trans87.4141.7179.400000113.1A188 K196 N197A188-G194 PolarHBondContact O-N 2.99Å; G194-K196 VanDerWaalsContact C-N 3.27Å; G194-K196 PolarHBondContact O-N 2.87Å; G194-N197 PolarHBondContact O-N 3.26Å; G194-N197 VanDerWaalsContact O-N 3.11Å
195T98.6Very high98.3Very high83 Ų8359.4 Ų59.451%0.50933%0.329SS..G310 helixtrans-68-24.5-174.452.10000113.8A189 N197 V198A189-T195 HydrophobicContact CB-CG2 3.99Å; T195-N197 PolarHBondContact O-N 2.81Å; T195-V198 PolarHBondContact O-N 3.09Å; T195-V198 VanDerWaalsContact O-N 3.15Å
196K98.4Very high98.2Very high192 Ų19260.6 Ų60.684%0.83533%0.328SS*.G310 helixtrans-68.6-14.6174.1-67.3-172.9176.8-177.40113.6G194G194-K196 VanDerWaalsContact C-N 3.27Å; G194-K196 PolarHBondContact O-N 2.87Å
197N98.5Very high98.2Very high32 Ų3254.4 Ų54.417%0.17130%0.301CS..G310 helixtrans-99.311.1175.6-67.1-48.2000112.3R171 L172 V174 I193 G194 T195R171-N197 WeakPolarHBondContact CD-OD1 3.37Å; R171-N197 WeakPolarHBondContact CG-OD1 3.14Å; L172-N197 VanDerWaalsContact O-CB 3.31Å; L172-N197 WeakPolarHBondContact O-CB 3.29Å; V174-N197 PolarHBondContact N-O 3.47Å; I193-N197 HydrophobicContact CG2-CB 3.87Å; I193-N197 PolarHBondContact O-ND2 2.91Å; G194-N197 PolarHBondContact O-N 3.26Å; G194-N197 VanDerWaalsContact O-N 3.11Å; T195-N197 PolarHBondContact O-N 2.81Å
198V98.8Very high98.2Very high11 Ų1156.3 Ų56.37%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-101100166.9-1770000107.5V174 T176 I184 A188 T195 V200V174-V198 CarbonylContact O-C 3.4Å; V174-V198 WeakPolarHBondContact O-CA 3.42Å; T176-V198 HydrophobicContact CG2-CG1 3.65Å; I184-V198 HydrophobicContact CG2-CG1 4.05Å; A188-V198 HydrophobicContact CB-CG2 3.3Å; T195-V198 PolarHBondContact O-N 3.09Å; T195-V198 VanDerWaalsContact O-N 3.15Å; V198-V200 PolarHBondContact O-N 3.41Å
199F98.8Very high98.2Very high43 Ų4356.4 Ų56.419%0.18931%0.309CS..EExtended strand (participates in β ladder)trans-81.4117.6-179.1-68.9-95.4000109.3A173 V174 F175 T176 V201 V221A173-F199 HydrophobicContact CB-CD2 3.81Å; A173-F199 HydrophobicContact CB-CE2 3.59Å; V174-F199 PolarHBondContact O-N 2.86Å; F175-F199 WeakPolarHBondContact CA-O 3.46Å; F175-F199 HydrophobicContact CD1-CB 3.57Å; F175-F199 HydrophobicContact CD1-CG 4.29Å; F175-F199 HydrophobicContact CE1-CB 3.75Å; F175-F199 HydrophobicContact CE1-CD2 4.28Å; F175-F199 AromaticContact CE1-CG 3.97Å; F175-F199 HydrophobicContact CE1-CG 3.97Å; F175-F199 HydrophobicContact CG-CB 4.37Å; F175-F199 HydrophobicContact CZ-CD2 4.48Å; T176-F199 PolarHBondContact N-O 3.15Å; F199-V201 PolarHBondContact O-N 2.96Å; F199-V221 HydrophobicContact CD1-CG2 3.87Å; F199-V221 HydrophobicContact CD2-CG2 3.98Å; F199-V221 HydrophobicContact CE1-CG2 3.49Å; F199-V221 VanDerWaalsContact CE1-CG2 3.49Å; F199-V221 HydrophobicContact CE2-CG2 3.63Å; F199-V221 HydrophobicContact CG-CG2 4.11Å; F199-V221 HydrophobicContact CZ-CG2 3.37Å
200V98.5Very high98.2Very high75 Ų7555.7 Ų55.746%0.45530%0.299SS..EExtended strand (participates in β ladder)trans-87.1110.3-178.9-179.70000108.5T176 Q178 V198 Q217T176-V200 WeakPolarHBondContact O-CA 3.41Å; Q178-V200 VanDerWaalsContact CA-CG1 3.41Å; Q178-V200 HydrophobicContact CB-CG1 3.72Å; Q178-V200 HydrophobicContact CG-CG1 4.08Å; V198-V200 PolarHBondContact O-N 3.41Å; V200-Q217 PolarHBondContact O-NE2 2.86Å
201V98.8Very high98.2Very high0 Ų050.3 Ų50.30%027%0.272CS..EExtended strand (participates in β ladder)trans-81.2129.3178.7-174.60000109.1F175 T176 Q178 F199 M209 A213 L214F175-V201 HydrophobicContact CB-CG2 4.08Å; T176-V201 PolarHBondContact O-N 2.83Å; Q178-V201 PolarHBondContact N-O 3.33Å; F199-V201 PolarHBondContact O-N 2.96Å; V201-M209 HydrophobicContact CB-CE 4.47Å; V201-M209 HydrophobicContact CB-CG 3.93Å; V201-M209 HydrophobicContact CB-SD 4.3Å; V201-M209 HydrophobicContact CG1-CG 3.57Å; V201-M209 HydrophobicContact CG1-SD 4.23Å; V201-M209 HydrophobicContact CG2-SD 4.42Å; V201-A213 HydrophobicContact CG1-CB 4.14Å; V201-L214 HydrophobicContact CG1-CB 3.98Å; V201-L214 HydrophobicContact CG2-CB 4.32Å; V201-L214 HydrophobicContact CG2-CD1 3.85Å
202P98.4Very high98.3Very high60 Ų6052.5 Ų52.539%0.3929%0.29SS..  trans-53.8148.3173.7-26.234.3000112.6T210 A213P202-T210 PolarHBondContact O-N 3.46Å; P202-T210 PolarHBondContact O-OG1 2.92Å; P202-A213 HydrophobicContact CG-CB 4.23Å
203S98.2Very high98.4Very high10 Ų1050.7 Ų50.77%0.0727%0.27CS..BIsolated β-bridgetrans-118.1150.1173.1-21.70000110.4S177 K208 R449S177-S203 PolarHBondContact OG-OG 3.27Å; S203-K208 CarbonylContact C-O 3.41Å; S203-K208 WeakPolarHBondContact CA-O 3.14Å; S203-K208 VanDerWaalsContact CB-C 3.45Å; S203-K208 WeakPolarHBondContact CB-O 3.42Å; S203-R449 PolarHBondContact O-NH1 3.11Å; S203-R449 PolarHBondContact OG-NH2 3.26Å
204D97.7Very high98.4Very high62 Ų6250 Ų5033%0.33227%0.267SS..  trans-64.7-177.9178.7760.7000113.1R206 G207 K208 R449D204-R206 PolarHBondContact O-N 3.2Å; D204-R206 VanDerWaalsContact O-N 3.09Å; D204-R206 VanDerWaalsContact OD1-C 3.26Å; D204-R206 VanDerWaalsContact OD1-CA 3.22Å; D204-R206 WeakPolarHBondContact OD1-CA 3.35Å; D204-R206 VanDerWaalsContact OD1-CB 3.31Å; D204-R206 WeakPolarHBondContact OD1-CB 3.37Å; D204-R206 PolarHBondContact OD1-N 3.17Å; D204-G207 PolarHBondContact O-N 3.09Å; D204-G207 PolarHBondContact OD1-N 2.86Å; D204-K208 PolarHBondContact N-O 3.06Å; D204-K208 PolarHBondContact OD1-N 3.03Å; D204-R449 PolarHBondContact O-NH1 3.29Å
205K96.5Very high98.4Very high194 Ų19451.6 Ų51.684%0.84327%0.267SS*.THydrogen-bonded Turntrans-62.8-13.4177.271.1-177.1-179.6179.50114.2
206R97.7Very high98.4Very high67 Ų6754.1 Ų54.125%0.25327%0.273SS..THydrogen-bonded Turntrans-98.61.4177-61.1-67.9-62.1166.85.4111.8D204 K208 A242 M395 E396D204-R206 PolarHBondContact O-N 3.2Å; D204-R206 VanDerWaalsContact O-N 3.09Å; D204-R206 VanDerWaalsContact OD1-C 3.26Å; D204-R206 VanDerWaalsContact OD1-CA 3.22Å; D204-R206 WeakPolarHBondContact OD1-CA 3.35Å; D204-R206 VanDerWaalsContact OD1-CB 3.31Å; D204-R206 WeakPolarHBondContact OD1-CB 3.37Å; D204-R206 PolarHBondContact OD1-N 3.17Å; R206-K208 HydrophobicContact CB-CD 4.25Å; R206-K208 HydrophobicContact CB-CG 4.2Å; R206-A242 VanDerWaalsContact O-CB 3.24Å; R206-A242 WeakPolarHBondContact O-CB 3.2Å; R206-M395 HydrophobicContact CB-CE 4.14Å; R206-M395 VanDerWaalsContact NH1-CE 3.27Å; R206-E396 PolarHBondContact NH1-O 3.48Å; R206-E396 PolarHBondContact NH2-O 2.76Å
207G98.1Very high98.5Very high1 Ų147.1 Ų47.11%0.0124%0.243CC..SBendtrans78.119.5-178.900000114E179 D204 A242E179-G207 VanDerWaalsContact CG-O 3.3Å; E179-G207 WeakPolarHBondContact CG-O 3.38Å; D204-G207 PolarHBondContact O-N 3.09Å; D204-G207 PolarHBondContact OD1-N 2.86Å; G207-A242 WeakPolarHBondContact O-CB 3.16Å
208K98.8Very high98.5Very high46 Ų4645.6 Ų45.620%0.224%0.235CC..  trans-98.8131.8179.6-56.3174.8169.5-950110.4S203 D204 R206 T210 A242 F243 E398S203-K208 CarbonylContact C-O 3.41Å; S203-K208 WeakPolarHBondContact CA-O 3.14Å; S203-K208 VanDerWaalsContact CB-C 3.45Å; S203-K208 WeakPolarHBondContact CB-O 3.42Å; D204-K208 PolarHBondContact N-O 3.06Å; D204-K208 PolarHBondContact OD1-N 3.03Å; R206-K208 HydrophobicContact CB-CD 4.25Å; R206-K208 HydrophobicContact CB-CG 4.2Å; K208-T210 PolarHBondContact O-N 2.9Å; K208-A242 HydrophobicContact CG-CB 4.42Å; K208-F243 VanDerWaalsContact CG-O 3.32Å; K208-F243 WeakPolarHBondContact CG-O 3.43Å; K208-F243 PolarHBondContact NZ-O 3.07Å; K208-E398 VanDerWaalsContact CE-OE1 3.29Å; K208-E398 WeakPolarHBondContact CE-OE1 3.38Å; K208-E398 VanDerWaalsContact CE-OE2 3.22Å; K208-E398 WeakPolarHBondContact CE-OE2 3.29Å; K208-E398 VanDerWaalsContact NZ-CD 3.29Å; K208-E398 IonicContact NZ-OE1 3.46Å; K208-E398 PolarHBondContact NZ-OE1 2.86Å; K208-E398 IonicContact NZ-OE2 2.86Å; K208-E398 PolarHBondContact NZ-OE2 3.46Å; K208-E398 VanDerWaalsContact NZ-OE2 3.12Å
209M98.9Very high98.5Very high2 Ų249.3 Ų49.31%0.0125%0.251CS..BIsolated β-bridgetrans-49.5132.6176.3-176.8-171.4-66.800110.4V201 P211 L214 V231 N232 D244 P245 I249V201-M209 HydrophobicContact CB-CE 4.47Å; V201-M209 HydrophobicContact CB-CG 3.93Å; V201-M209 HydrophobicContact CB-SD 4.3Å; V201-M209 HydrophobicContact CG1-CG 3.57Å; V201-M209 HydrophobicContact CG1-SD 4.23Å; V201-M209 HydrophobicContact CG2-SD 4.42Å; M209-P211 VanDerWaalsContact O-CD 3.3Å; M209-P211 WeakPolarHBondContact O-CD 3.25Å; M209-L214 HydrophobicContact SD-CB 4.33Å; M209-L214 HydrophobicContact SD-CD2 4.03Å; M209-V231 HydrophobicContact CE-CG1 4.45Å; M209-N232 WeakPolarHBondContact CE-O 3.37Å; M209-D244 HydrophobicContact CB-CB 4.21Å; M209-D244 WeakPolarHBondContact CB-OD1 3.18Å; M209-D244 PolarHBondContact N-OD1 2.93Å; M209-P245 WeakPolarHBondContact O-CD 3.27Å; M209-I249 HydrophobicContact CB-CD1 4.3Å; M209-I249 HydrophobicContact CG-CD1 4.44Å; M209-I249 HydrophobicContact SD-CD1 3.66Å; M209-I249 HydrophobicContact SD-CG1 4.19Å
210T98.8Very high98.5Very high39 Ų3950 Ų5024%0.23926%0.262CS..  trans-85.4113.5177.8-57.50000110.1P202 K208 S212 A213 L214P202-T210 PolarHBondContact O-N 3.46Å; P202-T210 PolarHBondContact O-OG1 2.92Å; K208-T210 PolarHBondContact O-N 2.9Å; T210-S212 WeakPolarHBondContact CG2-OG 3.4Å; T210-S212 PolarHBondContact O-N 2.89Å; T210-A213 HydrophobicContact CG2-CB 4.22Å; T210-A213 PolarHBondContact O-N 3.33Å; T210-L214 PolarHBondContact O-N 2.9Å; T210-L214 VanDerWaalsContact O-N 3.16Å
211P98.8Very high98.5Very high23 Ų2346.4 Ų46.415%0.14924%0.24CC..Hα-helixtrans-61.3-37.9-175.1-27.838.5000114.4M209 A213 L214 E215 P245 E248 I252M209-P211 VanDerWaalsContact O-CD 3.3Å; M209-P211 WeakPolarHBondContact O-CD 3.25Å; P211-A213 VanDerWaalsContact C-N 3.32Å; P211-A213 PolarHBondContact O-N 2.83Å; P211-L214 WeakPolarHBondContact O-CB 3.4Å; P211-L214 PolarHBondContact O-N 3.27Å; P211-E215 PolarHBondContact O-N 3.05Å; P211-P245 HydrophobicContact CG-CG 3.61Å; P211-E248 HydrophobicContact CB-CB 4.31Å; P211-E248 HydrophobicContact CG-CB 3.95Å; P211-I252 HydrophobicContact CB-CD1 3.72Å; P211-I252 VanDerWaalsContact O-CD1 3.26Å; P211-I252 WeakPolarHBondContact O-CD1 3.41Å
212S98.7Very high98.4Very high70 Ų7050.2 Ų50.249%0.4926%0.256SS..Hα-helixtrans-62.3-40.1177.461.80000112.2T210 L214 E215 E216T210-S212 WeakPolarHBondContact CG2-OG 3.4Å; T210-S212 PolarHBondContact O-N 2.89Å; S212-L214 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 3.36Å; S212-E215 PolarHBondContact O-N 2.93Å; S212-E216 WeakPolarHBondContact O-CG 3.25Å; S212-E216 PolarHBondContact O-N 2.97Å
213A98.8Very high98.4Very high12 Ų1252.1 Ų52.110%0.09927%0.271CS..Hα-helixtrans-69.4-30.9177.100000112.3V201 P202 T210 P211 Q217V201-A213 HydrophobicContact CG1-CB 4.14Å; P202-A213 HydrophobicContact CG-CB 4.23Å; T210-A213 HydrophobicContact CG2-CB 4.22Å; T210-A213 PolarHBondContact O-N 3.33Å; P211-A213 VanDerWaalsContact C-N 3.32Å; P211-A213 PolarHBondContact O-N 2.83Å; A213-Q217 WeakPolarHBondContact O-CG 3.43Å; A213-Q217 PolarHBondContact O-N 2.79Å; A213-Q217 VanDerWaalsContact O-N 3.09Å
214L98.9Very high98.4Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-62.3-48.2170.7170.965.1000110.5F175 V201 M209 T210 P211 S212 Q217 I218 V231 I249 I252F175-L214 HydrophobicContact CB-CD1 3.54Å; F175-L214 HydrophobicContact CD1-CD1 4.18Å; F175-L214 HydrophobicContact CG-CD1 3.88Å; V201-L214 HydrophobicContact CG1-CB 3.98Å; V201-L214 HydrophobicContact CG2-CB 4.32Å; V201-L214 HydrophobicContact CG2-CD1 3.85Å; M209-L214 HydrophobicContact SD-CB 4.33Å; M209-L214 HydrophobicContact SD-CD2 4.03Å; T210-L214 PolarHBondContact O-N 2.9Å; T210-L214 VanDerWaalsContact O-N 3.16Å; P211-L214 WeakPolarHBondContact O-CB 3.4Å; P211-L214 PolarHBondContact O-N 3.27Å; S212-L214 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 3.36Å; L214-Q217 PolarHBondContact O-N 3.45Å; L214-I218 HydrophobicContact CD1-CD1 3.79Å; L214-I218 HydrophobicContact CD1-CG1 4.18Å; L214-I218 HydrophobicContact CG-CD1 3.8Å; L214-I218 VanDerWaalsContact O-CG1 3.3Å; L214-I218 WeakPolarHBondContact O-CG1 3.32Å; L214-I218 PolarHBondContact O-N 3.37Å; L214-V231 HydrophobicContact CD1-CG1 4.1Å; L214-V231 HydrophobicContact CD1-CG2 4.04Å; L214-V231 HydrophobicContact CD2-CG1 3.98Å; L214-V231 HydrophobicContact CD2-CG2 4.38Å; L214-I249 HydrophobicContact CD2-CG1 4.29Å; L214-I249 HydrophobicContact CD2-CG2 3.9Å; L214-I252 HydrophobicContact CD2-CB 4.48Å; L214-I252 HydrophobicContact CD2-CD1 4.14Å; L214-I252 HydrophobicContact CD2-CG2 4.17Å; L214-I252 HydrophobicContact CG-CG2 4.34Å
215E98.7Very high98.4Very high62 Ų6256.5 Ų56.529%0.2930%0.304SS..Hα-helixtrans-62.1-44.2179.8-170.4165.5-132.800111.8P211 S212 Q217 I218 E219 I252 K255P211-E215 PolarHBondContact O-N 3.05Å; S212-E215 PolarHBondContact O-N 2.93Å; E215-Q217 PolarHBondContact O-N 3Å; E215-I218 PolarHBondContact O-N 2.87Å; E215-E219 PolarHBondContact O-N 2.86Å; E215-I252 HydrophobicContact CB-CD1 4.4Å; E215-K255 IonicContact OE1-NZ 3.05Å; E215-K255 PolarHBondContact OE1-NZ 2.87Å
216E98.7Very high98.4Very high136 Ų13647.6 Ų47.664%0.63627%0.266SS*.Hα-helixtrans-57.5-45.7174.6-72.9170.3-165.900112.6S212 E219 S220S212-E216 WeakPolarHBondContact O-CG 3.25Å; S212-E216 PolarHBondContact O-N 2.97Å; E216-E219 PolarHBondContact O-N 3.45Å; E216-S220 WeakPolarHBondContact O-CB 3.39Å; E216-S220 PolarHBondContact O-N 2.85Å
217Q98.8Very high98.5Very high44 Ų4446.4 Ų46.421%0.20627%0.267CS..Hα-helixtrans-67.4-37.7178.9-73.8-171.22.500112.4F175 V200 A213 L214 E215 E219 S220 V221F175-Q217 HydrophobicContact CD1-CB 3.99Å; F175-Q217 HydrophobicContact CE1-CB 3.79Å; V200-Q217 PolarHBondContact O-NE2 2.86Å; A213-Q217 WeakPolarHBondContact O-CG 3.43Å; A213-Q217 PolarHBondContact O-N 2.79Å; A213-Q217 VanDerWaalsContact O-N 3.09Å; L214-Q217 PolarHBondContact O-N 3.45Å; E215-Q217 PolarHBondContact O-N 3Å; Q217-E219 VanDerWaalsContact C-N 3.35Å; Q217-S220 PolarHBondContact O-N 3.34Å; Q217-V221 WeakPolarHBondContact O-CG2 3.48Å; Q217-V221 PolarHBondContact O-N 3.07Å
218I98.9Very high98.5Very high0 Ų047 Ų470%027%0.27CS..Hα-helixtrans-59.1-48175.1-73.5164.2000110.2F175 L214 E215 V221 K222 P228 I252 L258F175-I218 HydrophobicContact CD1-CG1 4.28Å; F175-I218 HydrophobicContact CD2-CG1 4.15Å; F175-I218 HydrophobicContact CE1-CG1 4.04Å; F175-I218 HydrophobicContact CE2-CG1 3.94Å; F175-I218 HydrophobicContact CG-CG1 4.34Å; F175-I218 HydrophobicContact CZ-CB 4.43Å; F175-I218 HydrophobicContact CZ-CG1 3.87Å; L214-I218 HydrophobicContact CD1-CD1 3.79Å; L214-I218 HydrophobicContact CD1-CG1 4.18Å; L214-I218 HydrophobicContact CG-CD1 3.8Å; L214-I218 VanDerWaalsContact O-CG1 3.3Å; L214-I218 WeakPolarHBondContact O-CG1 3.32Å; L214-I218 PolarHBondContact O-N 3.37Å; E215-I218 PolarHBondContact O-N 2.87Å; I218-V221 PolarHBondContact O-N 3.21Å; I218-K222 HydrophobicContact CG2-CD 4.39Å; I218-K222 WeakPolarHBondContact O-CG 3.45Å; I218-K222 PolarHBondContact O-N 2.69Å; I218-K222 VanDerWaalsContact O-N 3.13Å; I218-P228 HydrophobicContact CG2-CB 4.38Å; I218-P228 HydrophobicContact CG2-CG 4.12Å; I218-I252 HydrophobicContact CD1-CG2 3.66Å; I218-L258 HydrophobicContact CD1-CD1 3.56Å; I218-L258 HydrophobicContact CG1-CD1 4.07Å
219E98.6Very high98.5Very high89 Ų8944.8 Ų44.842%0.41626%0.26SS..Hα-helixtrans-66.8-39.7179.8-67.3-52.8124.100112.3E215 E216 Q217 V221 K222 S223E215-E219 PolarHBondContact O-N 2.86Å; E216-E219 PolarHBondContact O-N 3.45Å; Q217-E219 VanDerWaalsContact C-N 3.35Å; E219-V221 PolarHBondContact O-N 3.18Å; E219-K222 PolarHBondContact O-N 2.91Å; E219-K222 IonicContact OE1-NZ 3.93Å; E219-K222 PolarHBondContact OE1-NZ 2.66Å; E219-S223 PolarHBondContact O-N 3.49Å
220S98.5Very high98.5Very high58 Ų5844.7 Ų44.741%0.40626%0.26SS..Hα-helixtrans-57-48.7174-169.90000111.4E216 Q217 K222 S223 E224E216-S220 WeakPolarHBondContact O-CB 3.39Å; E216-S220 PolarHBondContact O-N 2.85Å; Q217-S220 PolarHBondContact O-N 3.34Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 2.83Å; S220-S223 PolarHBondContact O-N 3.21Å; S220-S223 PolarHBondContact O-OG 3.17Å; S220-E224 WeakPolarHBondContact O-CG 3.38Å; S220-E224 PolarHBondContact O-N 2.9Å
221V98.5Very high98.5Very high0 Ų042.8 Ų42.80%025%0.249CC..Hα-helixtrans-61.7-42.1180169.20000111.8A173 F175 F199 Q217 I218 E219 S223 E224 G225 G226 P228A173-V221 HydrophobicContact CB-CB 4.48Å; A173-V221 HydrophobicContact CB-CG1 3.52Å; A173-V221 HydrophobicContact CB-CG2 4.29Å; F175-V221 HydrophobicContact CE1-CG2 4Å; F175-V221 HydrophobicContact CZ-CB 4.1Å; F175-V221 HydrophobicContact CZ-CG1 4.47Å; F175-V221 HydrophobicContact CZ-CG2 3.78Å; F199-V221 HydrophobicContact CD1-CG2 3.87Å; F199-V221 HydrophobicContact CD2-CG2 3.98Å; F199-V221 HydrophobicContact CE1-CG2 3.49Å; F199-V221 VanDerWaalsContact CE1-CG2 3.49Å; F199-V221 HydrophobicContact CE2-CG2 3.63Å; F199-V221 HydrophobicContact CG-CG2 4.11Å; F199-V221 HydrophobicContact CZ-CG2 3.37Å; Q217-V221 WeakPolarHBondContact O-CG2 3.48Å; Q217-V221 PolarHBondContact O-N 3.07Å; I218-V221 PolarHBondContact O-N 3.21Å; E219-V221 PolarHBondContact O-N 3.18Å; V221-S223 VanDerWaalsContact C-N 3.34Å; V221-E224 PolarHBondContact O-N 3.37Å; V221-G225 PolarHBondContact O-N 3.3Å; V221-G226 WeakPolarHBondContact O-CA 3.12Å; V221-G226 PolarHBondContact O-N 2.63Å; V221-P228 HydrophobicContact CB-CG 4.22Å; V221-P228 HydrophobicContact CG1-CG 3.91Å
222K98.4Very high98.5Very high80 Ų8041.7 Ų41.735%0.34824%0.241SC..Hα-helixtrans-63-41.4176.4-70.1174-174.1168.60111.6I218 E219 S220 E224 G225 P228 N256I218-K222 HydrophobicContact CG2-CD 4.39Å; I218-K222 WeakPolarHBondContact O-CG 3.45Å; I218-K222 PolarHBondContact O-N 2.69Å; I218-K222 VanDerWaalsContact O-N 3.13Å; E219-K222 PolarHBondContact O-N 2.91Å; E219-K222 IonicContact OE1-NZ 3.93Å; E219-K222 PolarHBondContact OE1-NZ 2.66Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 2.83Å; K222-E224 PolarHBondContact O-N 3.05Å; K222-G225 PolarHBondContact O-N 3.05Å; K222-P228 HydrophobicContact CG-CG 3.86Å; K222-N256 PolarHBondContact NZ-OD1 3.38Å
223S98.1Very high98.5Very high100 Ų10038.4 Ų38.470%0.69922%0.218SC*.Hα-helixtrans-62.9-28.1179.279.10000112.8E219 S220 V221 G225E219-S223 PolarHBondContact O-N 3.49Å; S220-S223 PolarHBondContact O-N 3.21Å; S220-S223 PolarHBondContact O-OG 3.17Å; V221-S223 VanDerWaalsContact C-N 3.34Å; S223-G225 VanDerWaalsContact C-N 3.29Å
224E97.7Very high98.5Very high108 Ų10838 Ų3851%0.50522%0.215SC..THydrogen-bonded Turntrans-85.75.8173.9-65.6174.4-160.400113.6R171 S220 V221 K222 G226R171-E224 IonicContact CZ-OE2 3.64Å; R171-E224 IonicContact NH1-OE2 3.49Å; R171-E224 PolarHBondContact NH1-OE2 2.75Å; R171-E224 VanDerWaalsContact NH1-OE2 3.15Å; R171-E224 IonicContact NH2-OE2 3.32Å; R171-E224 PolarHBondContact NH2-OE2 3.05Å; S220-E224 WeakPolarHBondContact O-CG 3.38Å; S220-E224 PolarHBondContact O-N 2.9Å; V221-E224 PolarHBondContact O-N 3.37Å; K222-E224 PolarHBondContact O-N 3.05Å; E224-G226 VanDerWaalsContact C-N 3.28Å; E224-G226 PolarHBondContact O-N 3.19Å
225G97.1Very high98.5Very high56 Ų5638 Ų3858%0.57722%0.215SC*.THydrogen-bonded Turntrans75.212.2-177.400000114.7V221 K222 S223V221-G225 PolarHBondContact O-N 3.3Å; K222-G225 PolarHBondContact O-N 3.05Å; S223-G225 VanDerWaalsContact C-N 3.29Å
226G97.6Very high98.5Very high6 Ų635.2 Ų35.26%0.06220%0.203CC..  trans-76.8160.2169.600000112R171 V221 E224 P228R171-G226 CarbonylContact O-C 3.56Å; R171-G226 WeakPolarHBondContact O-CA 3.47Å; V221-G226 WeakPolarHBondContact O-CA 3.12Å; V221-G226 PolarHBondContact O-N 2.63Å; E224-G226 VanDerWaalsContact C-N 3.28Å; E224-G226 PolarHBondContact O-N 3.19Å; G226-P228 WeakPolarHBondContact O-CD 3.15Å
227V98.3Very high98.5Very high43 Ų4328.8 Ų28.826%0.26117%0.172SC..EExtended strand (participates in β ladder)trans-114.3100.3177.6178.30000109.9F158 P170 R171 L172 A173 F229F158-V227 HydrophobicContact CE2-CG1 4.12Å; F158-V227 HydrophobicContact CZ-CG1 4.11Å; P170-V227 HydrophobicContact CB-CG2 4.13Å; P170-V227 HydrophobicContact CG-CB 4.15Å; P170-V227 HydrophobicContact CG-CG2 3.42Å; P170-V227 VanDerWaalsContact CG-CG2 3.42Å; R171-V227 PolarHBondContact O-N 2.82Å; L172-V227 CarbonylContact C-O 3.48Å; L172-V227 WeakPolarHBondContact CA-O 3.31Å; L172-V227 HydrophobicContact CD2-CB 4.25Å; L172-V227 HydrophobicContact CD2-CG1 4.39Å; A173-V227 PolarHBondContact N-O 2.99Å; V227-F229 PolarHBondContact O-N 3.29Å
228P98.6Very high98.5Very high12 Ų1228.6 Ų28.68%0.07818%0.175CC..EExtended strand (participates in β ladder)trans-53.7130.2161.7-28.139.7000110.2F175 I218 V221 K222 G226 L258F175-P228 HydrophobicContact CE2-CB 3.64Å; F175-P228 HydrophobicContact CE2-CG 4.05Å; F175-P228 HydrophobicContact CZ-CB 4.18Å; F175-P228 HydrophobicContact CZ-CG 4.08Å; I218-P228 HydrophobicContact CG2-CB 4.38Å; I218-P228 HydrophobicContact CG2-CG 4.12Å; V221-P228 HydrophobicContact CB-CG 4.22Å; V221-P228 HydrophobicContact CG1-CG 3.91Å; K222-P228 HydrophobicContact CG-CG 3.86Å; G226-P228 WeakPolarHBondContact O-CD 3.15Å; P228-L258 HydrophobicContact CB-CD1 4.25Å; P228-L258 HydrophobicContact CB-CD2 3.59Å; P228-L258 VanDerWaalsContact O-CD2 3.3Å; P228-L258 WeakPolarHBondContact O-CD2 3.44Å
229F98.4Very high98.4Very high0 Ų029.8 Ų29.80%018%0.182CC..EExtended strand (participates in β ladder)trans-136.7-18.7176.680.4-80000114.3L150 A153 R154 H157 L172 A173 V174 I193 V227 W259L150-F229 HydrophobicContact CD1-CE2 4.19Å; L150-F229 HydrophobicContact CD1-CZ 3.64Å; A153-F229 HydrophobicContact CB-CD2 3.85Å; A153-F229 HydrophobicContact CB-CE2 3.76Å; R154-F229 HydrophobicContact CB-CE2 3.88Å; R154-F229 HydrophobicContact CB-CZ 4.4Å; H157-F229 PolarHBondContact CE1-O 3.23Å; L172-F229 HydrophobicContact CB-CD1 3.74Å; L172-F229 HydrophobicContact CB-CE1 3.69Å; L172-F229 HydrophobicContact CD1-CD1 4.45Å; L172-F229 HydrophobicContact CD1-CE1 4.29Å; L172-F229 HydrophobicContact CD2-CD1 4.42Å; L172-F229 HydrophobicContact CG-CD1 4.43Å; A173-F229 WeakPolarHBondContact O-CD1 3.44Å; A173-F229 PolarHBondContact O-N 2.89Å; A173-F229 VanDerWaalsContact O-N 3.15Å; V174-F229 HydrophobicContact CG2-CD1 4.43Å; V174-F229 HydrophobicContact CG2-CE1 3.4Å; V174-F229 VanDerWaalsContact CG2-CE1 3.4Å; V174-F229 HydrophobicContact CG2-CZ 3.59Å; I193-F229 HydrophobicContact CD1-CZ 4.06Å; V227-F229 PolarHBondContact O-N 3.29Å; F229-W259 WeakPolarHBondContact O-CB 3.23Å; F229-W259 PolarHBondContact O-N 3.11Å
230M98.8Very high98.4Very high0 Ų026.1 Ų26.10%017%0.165CC..EExtended strand (participates in β ladder)trans-148.4138.4-177.1-176.8-172.917800112.1A149 L150 A153 V174 F175 W259 H261A149-M230 HydrophobicContact CB-CE 3.79Å; L150-M230 HydrophobicContact CB-SD 4.11Å; L150-M230 HydrophobicContact CD1-SD 3.55Å; L150-M230 VanDerWaalsContact CD1-SD 3.55Å; L150-M230 HydrophobicContact CG-SD 4.44Å; A153-M230 HydrophobicContact CB-CB 4.07Å; A153-M230 HydrophobicContact CB-CG 4.12Å; A153-M230 HydrophobicContact CB-SD 4.03Å; V174-M230 WeakPolarHBondContact CA-O 3.26Å; V174-M230 HydrophobicContact CG1-CB 4.4Å; V174-M230 HydrophobicContact CG1-CG 4.47Å; V174-M230 HydrophobicContact CG1-SD 4.32Å; F175-M230 PolarHBondContact N-O 3.33Å; M230-W259 CarbonylContact C-O 3.54Å; M230-W259 VanDerWaalsContact CA-O 3.32Å; M230-W259 WeakPolarHBondContact CA-O 3.35Å; M230-W259 HydrophobicContact CB-CB 4.39Å; M230-W259 HydrophobicContact CG-CB 4.4Å; M230-H261 HydrophobicContact CE-CB 3.34Å
231V98.9Very high98.4Very high0 Ų023.3 Ų23.30%015%0.146CC..EExtended strand (participates in β ladder)trans-114.4131.3164.1-176.20000108.8F175 M209 L214 I249 C253 L258 W259 L260 H261F175-V231 HydrophobicContact CB-CG1 4.47Å; F175-V231 HydrophobicContact CB-CG2 4.24Å; F175-V231 HydrophobicContact CD2-CG2 4.39Å; F175-V231 CarbonylContact O-C 3.52Å; F175-V231 WeakPolarHBondContact O-CA 3.28Å; M209-V231 HydrophobicContact CE-CG1 4.45Å; L214-V231 HydrophobicContact CD1-CG1 4.1Å; L214-V231 HydrophobicContact CD1-CG2 4.04Å; L214-V231 HydrophobicContact CD2-CG1 3.98Å; L214-V231 HydrophobicContact CD2-CG2 4.38Å; V231-I249 HydrophobicContact CG1-CG2 3.86Å; V231-C253 VanDerWaalsContact CG2-SG 3.51Å; V231-L258 HydrophobicContact CG2-CB 4.47Å; V231-L258 HydrophobicContact CG2-CD1 3.84Å; V231-W259 PolarHBondContact N-O 3.44Å; V231-L260 HydrophobicContact CB-CD1 4.23Å; V231-L260 HydrophobicContact CG1-CD1 4.34Å; V231-H261 PolarHBondContact O-N 3.34Å
232N98.9Very high98.5Very high0 Ų023.4 Ų23.40%015%0.146CC..EExtended strand (participates in β ladder)trans-102.7108.1168171.875.5000109.5F175 T176 I184 M209 H261F175-N232 PolarHBondContact O-N 2.97Å; T176-N232 PolarHBondContact OG1-ND2 2.9Å; I184-N232 HydrophobicContact CD1-CB 4.05Å; I184-N232 HydrophobicContact CG1-CB 4.33Å; M209-N232 WeakPolarHBondContact CE-O 3.37Å; N232-H261 WeakPolarHBondContact CA-O 3.3Å; N232-H261 PolarHBondContact OD1-CD2 2.83Å; N232-H261 VanDerWaalsContact OD1-CD2 3.26Å
233A98.9Very high98.5Very high0 Ų019.7 Ų19.70%013%0.13CC..EExtended strand (participates in β ladder)trans-88.8142.616600000109.6D244 I249 L260 H261 V262 D263A233-D244 HydrophobicContact CB-CB 4.19Å; A233-I249 HydrophobicContact CB-CD1 3.92Å; A233-L260 HydrophobicContact CB-CD1 4.22Å; A233-H261 PolarHBondContact N-O 2.89Å; A233-V262 HydrophobicContact CB-CG2 4.26Å; A233-V262 CarbonylContact O-C 3.57Å; A233-V262 WeakPolarHBondContact O-CA 3.09Å; A233-D263 PolarHBondContact O-N 2.81Å
234T98.9Very high98.5Very high4 Ų415 Ų153%0.02510%0.097CC..EExtended strand (participates in β ladder)trans-107.1126.9179.4-51.70000110.2T237 D244T234-T237 HydrophobicContact CG2-CG2 3.7Å; T234-D244 PolarHBondContact N-OD2 3.3Å; T234-D244 WeakPolarHBondContact O-CB 3.28Å; T234-D244 PolarHBondContact O-N 2.85Å
235A98.8Very high98.6Very high0 Ų011.2 Ų11.20%08%0.082CC..BIsolated β-bridgetrans-113.1101.3175.700000110.3F243 I246 V262 D263 A264 G267 M280A235-F243 HydrophobicContact CB-CD1 3.77Å; A235-F243 HydrophobicContact CB-CE1 4.03Å; A235-I246 HydrophobicContact CB-CD1 4.34Å; A235-V262 HydrophobicContact CB-CG1 3.7Å; A235-D263 PolarHBondContact N-O 2.76Å; A235-A264 HydrophobicContact CB-CB 4.4Å; A235-G267 WeakPolarHBondContact O-CA 3.1Å; A235-G267 PolarHBondContact O-N 3Å; A235-M280 HydrophobicContact CB-CE 3.3Å; A235-M280 HydrophobicContact CB-SD 3.28Å; A235-M280 WeakPolarHBondContact CB-SD 3.47Å
236G98.6Very high98.7Very high4 Ų48.7 Ų8.74%0.0416%0.055CC..SBendtrans85.179.8-168.700000111A242G236-A242 CarbonylContact C-O 3.5Å; G236-A242 WeakPolarHBondContact CA-O 3.42Å; G236-A242 PolarHBondContact N-O 3.12Å
237T98.8Very high98.7Very high0 Ų010.2 Ų10.20%06%0.062CC..  trans-63.3151.7176.860.50000111.4E179 T234 V239 G241 A242E179-T237 HydrophobicContact CB-CG2 3.51Å; T234-T237 HydrophobicContact CG2-CG2 3.7Å; T237-V239 VanDerWaalsContact C-N 3.32Å; T237-V239 PolarHBondContact O-N 3.47Å; T237-G241 VanDerWaalsContact O-CA 3.26Å; T237-G241 WeakPolarHBondContact O-CA 2.96Å; T237-G241 PolarHBondContact O-N 3.11Å; T237-G241 PolarHBondContact OG1-N 3.3Å; T237-A242 HydrophobicContact CG2-CB 4.2Å; T237-A242 PolarHBondContact N-O 3.25Å; T237-A242 PolarHBondContact OG1-N 3.15Å
238T98.3Very high98.7Very high41 Ų4113.4 Ų13.425%0.2527%0.074SC..THydrogen-bonded Turntrans-65-36.1-169.8-690000112.6L82 N401 R456L82-T238 HydrophobicContact CD1-CG2 4Å; T238-N401 PolarHBondContact O-ND2 3.49Å; T238-N401 VanDerWaalsContact O-ND2 3.14Å; T238-R456 VanDerWaalsContact CG2-NH1 3.34Å; T238-R456 WeakPolarHBondContact O-CD 3.41Å; T238-R456 PolarHBondContact O-NH1 2.82Å
239V98.5Very high98.8Very high25 Ų2512.9 Ų12.915%0.1527%0.07CC..THydrogen-bonded Turntrans-90-66.1-177.2179.20000110.2T237 N401 C403 Q446 F454 R456T237-V239 VanDerWaalsContact C-N 3.32Å; T237-V239 PolarHBondContact O-N 3.47Å; V239-N401 WeakPolarHBondContact O-CB 3.33Å; V239-N401 PolarHBondContact O-ND2 3.44Å; V239-C403 PolarHBondContact O-SG 3.43Å; V239-Q446 HydrophobicContact CG1-CG 4.29Å; V239-Q446 HydrophobicContact CG2-CG 4.27Å; V239-F454 HydrophobicContact CG1-CE2 3.85Å; V239-F454 HydrophobicContact CG1-CZ 3.89Å; V239-R456 WeakPolarHBondContact O-CD 3.26Å; V239-R456 WeakPolarHBondContact O-CG 3.14Å
240L98.5Very high98.8Very high11 Ų1112.9 Ų12.96%0.0587%0.071CC..THydrogen-bonded Turntrans-83.6-17-170.4-56.4176.3000113.8A242 M395L240-A242 VanDerWaalsContact C-N 3.25Å; L240-A242 HydrophobicContact CB-CB 4.45Å; L240-A242 PolarHBondContact O-N 3.3Å; L240-M395 HydrophobicContact CB-SD 4.28Å; L240-M395 HydrophobicContact CD1-SD 4.03Å; L240-M395 HydrophobicContact CD2-SD 3.91Å; L240-M395 HydrophobicContact CG-SD 4.29Å
241G98.6Very high98.8Very high0 Ų017.1 Ų17.10%09%0.093CC..  trans69.124.4-173.200000113.2T237 F243 Y399T237-G241 VanDerWaalsContact O-CA 3.26Å; T237-G241 WeakPolarHBondContact O-CA 2.96Å; T237-G241 PolarHBondContact O-N 3.11Å; T237-G241 PolarHBondContact OG1-N 3.3Å; G241-F243 WeakPolarHBondContact O-CD2 3.27Å; G241-Y399 WeakPolarHBondContact O-CB 2.92Å
242A98.7Very high98.8Very high1 Ų117.8 Ų17.81%0.00810%0.097CC..  trans-74.7153-178.600000112R206 G207 K208 G236 T237 L240 E398R206-A242 VanDerWaalsContact O-CB 3.24Å; R206-A242 WeakPolarHBondContact O-CB 3.2Å; G207-A242 WeakPolarHBondContact O-CB 3.16Å; K208-A242 HydrophobicContact CG-CB 4.42Å; G236-A242 CarbonylContact C-O 3.5Å; G236-A242 WeakPolarHBondContact CA-O 3.42Å; G236-A242 PolarHBondContact N-O 3.12Å; T237-A242 HydrophobicContact CG2-CB 4.2Å; T237-A242 PolarHBondContact N-O 3.25Å; T237-A242 PolarHBondContact OG1-N 3.15Å; L240-A242 VanDerWaalsContact C-N 3.25Å; L240-A242 HydrophobicContact CB-CB 4.45Å; L240-A242 PolarHBondContact O-N 3.3Å; A242-E398 WeakPolarHBondContact CA-OE2 3.44Å
243F98.9Very high98.8Very high2 Ų218 Ų181%0.00910%0.098CC..BIsolated β-bridgetrans-117.1116.6175.8-73.2-108.9000110.8K208 A235 G241 V270 L279 M280 E398 Y399K208-F243 VanDerWaalsContact CG-O 3.32Å; K208-F243 WeakPolarHBondContact CG-O 3.43Å; K208-F243 PolarHBondContact NZ-O 3.07Å; A235-F243 HydrophobicContact CB-CD1 3.77Å; A235-F243 HydrophobicContact CB-CE1 4.03Å; G241-F243 WeakPolarHBondContact O-CD2 3.27Å; F243-V270 HydrophobicContact CE1-CG2 4Å; F243-V270 HydrophobicContact CZ-CG1 3.99Å; F243-V270 HydrophobicContact CZ-CG2 4.27Å; F243-L279 HydrophobicContact CD1-CB 3.83Å; F243-L279 WeakPolarHBondContact CD1-O 3.44Å; F243-L279 HydrophobicContact CD2-CB 4.33Å; F243-L279 HydrophobicContact CD2-CD1 4.39Å; F243-L279 HydrophobicContact CD2-CD2 4.4Å; F243-L279 HydrophobicContact CE1-CB 3.88Å; F243-L279 HydrophobicContact CE2-CB 4.4Å; F243-L279 HydrophobicContact CE2-CD1 3.98Å; F243-L279 HydrophobicContact CG-CB 4.06Å; F243-L279 HydrophobicContact CZ-CB 4.19Å; F243-L279 HydrophobicContact CZ-CD1 4.11Å; F243-M280 HydrophobicContact CD1-CG 4.47Å; F243-M280 HydrophobicContact CD1-SD 4.27Å; F243-M280 HydrophobicContact CE1-CE 3.92Å; F243-M280 HydrophobicContact CE1-CG 4.18Å; F243-M280 HydrophobicContact CE1-SD 4.15Å; F243-E398 HydrophobicContact CD2-CG 4.14Å; F243-E398 PolarHBondContact N-OE2 2.82Å; F243-Y399 HydrophobicContact CE2-CD1 4.29Å; F243-Y399 HydrophobicContact CE2-CD2 4.19Å; F243-Y399 AromaticContact CE2-CG 3.88Å; F243-Y399 HydrophobicContact CE2-CG 3.88Å; F243-Y399 HydrophobicContact CZ-CD1 4.45Å; F243-Y399 HydrophobicContact CZ-CD2 4.26Å; F243-Y399 HydrophobicContact CZ-CG 4.24Å
244D98.9Very high98.8Very high2 Ų223.2 Ų23.21%0.01112%0.122CC..  trans-59.5148.3172.9-70.5-18.6000110.8M209 A233 T234 I246 I249M209-D244 HydrophobicContact CB-CB 4.21Å; M209-D244 WeakPolarHBondContact CB-OD1 3.18Å; M209-D244 PolarHBondContact N-OD1 2.93Å; A233-D244 HydrophobicContact CB-CB 4.19Å; T234-D244 PolarHBondContact N-OD2 3.3Å; T234-D244 WeakPolarHBondContact O-CB 3.28Å; T234-D244 PolarHBondContact O-N 2.85Å; D244-I246 VanDerWaalsContact C-N 3.31Å; D244-I246 PolarHBondContact O-N 3.25Å; D244-I249 HydrophobicContact CB-CD1 3.9Å
245P98.8Very high98.7Very high29 Ų2929.9 Ų29.919%0.18815%0.151CC..  trans-75.579.5-179.532.1-36.5000111.2M209 P211 D247 E248 I249M209-P245 WeakPolarHBondContact O-CD 3.27Å; P211-P245 HydrophobicContact CG-CG 3.61Å; P245-D247 VanDerWaalsContact C-N 3.28Å; P245-D247 PolarHBondContact O-N 2.84Å; P245-E248 HydrophobicContact CB-CB 4.36Å; P245-E248 HydrophobicContact CB-CG 4.49Å; P245-E248 PolarHBondContact O-N 3.38Å; P245-I249 HydrophobicContact CG-CD1 4.31Å; P245-I249 HydrophobicContact CG-CG1 4.47Å; P245-I249 WeakPolarHBondContact O-CG1 3.31Å; P245-I249 PolarHBondContact O-N 3.03Å
246I98.9Very high98.7Very high2 Ų231 Ų311%0.0116%0.157CC..Hα-helixtrans-55.3-41.1-172.1-58.4164.7000112.2A235 D244 I249 A250 V262 M280 I283 V286A235-I246 HydrophobicContact CB-CD1 4.34Å; D244-I246 VanDerWaalsContact C-N 3.31Å; D244-I246 PolarHBondContact O-N 3.25Å; I246-I249 PolarHBondContact O-N 3.24Å; I246-A250 VanDerWaalsContact O-CB 3.3Å; I246-A250 WeakPolarHBondContact O-CB 3.48Å; I246-A250 PolarHBondContact O-N 2.94Å; I246-V262 HydrophobicContact CD1-CG1 4.07Å; I246-V262 HydrophobicContact CD1-CG2 4.1Å; I246-V262 HydrophobicContact CG1-CG2 4.16Å; I246-V262 HydrophobicContact CG2-CG2 3.99Å; I246-M280 HydrophobicContact CD1-SD 3.88Å; I246-I283 HydrophobicContact CD1-CB 4.45Å; I246-I283 HydrophobicContact CD1-CD1 4.13Å; I246-V286 HydrophobicContact CG2-CG1 3.69Å
247D98.8Very high98.7Very high39 Ų3939.2 Ų39.221%0.20919%0.192CC..Hα-helixtrans-62.1-43.8-178.6-156.834000112.4P245 A250 D251 K281 R285P245-D247 VanDerWaalsContact C-N 3.28Å; P245-D247 PolarHBondContact O-N 2.84Å; D247-A250 WeakPolarHBondContact O-CB 3.37Å; D247-A250 PolarHBondContact O-N 3.27Å; D247-D251 PolarHBondContact O-N 3.45Å; D247-K281 PolarHBondContact N-O 3Å; D247-K281 WeakPolarHBondContact OD2-CE 3.32Å; D247-K281 IonicContact OD2-NZ 2.67Å; D247-K281 PolarHBondContact OD2-NZ 3.16Å; D247-R285 PolarHBondContact O-NH1 2.77Å; D247-R285 VanDerWaalsContact O-NH1 3.08Å; D247-R285 IonicContact OD1-CZ 2.71Å; D247-R285 IonicContact OD1-NH1 2.74Å; D247-R285 PolarHBondContact OD1-NH1 3.5Å
248E98.8Very high98.7Very high110 Ų11039.8 Ų39.851%0.51420%0.195SC..Hα-helixtrans-71.2-38.3177.1-65174.5-119.600111.6P211 P245 A250 D251 I252P211-E248 HydrophobicContact CB-CB 4.31Å; P211-E248 HydrophobicContact CG-CB 3.95Å; P245-E248 HydrophobicContact CB-CB 4.36Å; P245-E248 HydrophobicContact CB-CG 4.49Å; P245-E248 PolarHBondContact O-N 3.38Å; E248-A250 VanDerWaalsContact C-N 3.28Å; E248-A250 PolarHBondContact O-N 3.22Å; E248-D251 PolarHBondContact O-N 3.04Å; E248-I252 PolarHBondContact O-N 3.21Å
249I98.9Very high98.7Very high0 Ų038 Ų380%018%0.183CC..Hα-helixtrans-65-36.3175.1-65.9166.3000110.5M209 L214 V231 A233 D244 P245 I246 I252 C253 L260M209-I249 HydrophobicContact CB-CD1 4.3Å; M209-I249 HydrophobicContact CG-CD1 4.44Å; M209-I249 HydrophobicContact SD-CD1 3.66Å; M209-I249 HydrophobicContact SD-CG1 4.19Å; L214-I249 HydrophobicContact CD2-CG1 4.29Å; L214-I249 HydrophobicContact CD2-CG2 3.9Å; V231-I249 HydrophobicContact CG1-CG2 3.86Å; A233-I249 HydrophobicContact CB-CD1 3.92Å; D244-I249 HydrophobicContact CB-CD1 3.9Å; P245-I249 HydrophobicContact CG-CD1 4.31Å; P245-I249 HydrophobicContact CG-CG1 4.47Å; P245-I249 WeakPolarHBondContact O-CG1 3.31Å; P245-I249 PolarHBondContact O-N 3.03Å; I246-I249 PolarHBondContact O-N 3.24Å; I249-I252 PolarHBondContact O-N 3.2Å; I249-C253 PolarHBondContact O-N 2.82Å; I249-C253 PolarHBondContact O-SG 2.97Å; I249-C253 VanDerWaalsContact O-SG 3.34Å; I249-L260 HydrophobicContact CG2-CD1 3.68Å; I249-L260 HydrophobicContact CG2-CD2 4.25Å
250A98.9Very high98.7Very high1 Ų137 Ų371%0.00818%0.177CC..Hα-helixtrans-62.8-41.7176.200000112I246 D247 E248 I252 C253 E254 L260 R285I246-A250 VanDerWaalsContact O-CB 3.3Å; I246-A250 WeakPolarHBondContact O-CB 3.48Å; I246-A250 PolarHBondContact O-N 2.94Å; D247-A250 WeakPolarHBondContact O-CB 3.37Å; D247-A250 PolarHBondContact O-N 3.27Å; E248-A250 VanDerWaalsContact C-N 3.28Å; E248-A250 PolarHBondContact O-N 3.22Å; A250-I252 VanDerWaalsContact C-N 3.29Å; A250-I252 PolarHBondContact O-N 3.15Å; A250-C253 PolarHBondContact O-N 3Å; A250-E254 WeakPolarHBondContact O-CB 3.46Å; A250-E254 VanDerWaalsContact O-CG 3.31Å; A250-E254 WeakPolarHBondContact O-CG 3.49Å; A250-E254 PolarHBondContact O-N 3.03Å; A250-L260 HydrophobicContact CB-CD2 3.72Å; A250-R285 HydrophobicContact CB-CB 4.08Å
251D98.9Very high98.8Very high88 Ų8836.4 Ų36.447%0.47117%0.174SC..Hα-helixtrans-56.4-44.3174.1-65.7-22.1000111.5D247 E248 K255 R285D247-D251 PolarHBondContact O-N 3.45Å; E248-D251 PolarHBondContact O-N 3.04Å; D251-K255 WeakPolarHBondContact O-CB 3.19Å; D251-K255 PolarHBondContact O-N 2.76Å; D251-R285 IonicContact OD1-CZ 2.72Å; D251-R285 IonicContact OD1-NH1 3.38Å; D251-R285 PolarHBondContact OD1-NH1 2.88Å; D251-R285 IonicContact OD1-NH2 2.64Å; D251-R285 PolarHBondContact OD1-NH2 3.26Å
252I98.9Very high98.8Very high15 Ų1536.4 Ų36.48%0.07717%0.174CC..Hα-helixtrans-65.9-45.8178.1-62.8168.3000110.9P211 L214 E215 I218 E248 I249 A250 K255 N256P211-I252 HydrophobicContact CB-CD1 3.72Å; P211-I252 VanDerWaalsContact O-CD1 3.26Å; P211-I252 WeakPolarHBondContact O-CD1 3.41Å; L214-I252 HydrophobicContact CD2-CB 4.48Å; L214-I252 HydrophobicContact CD2-CD1 4.14Å; L214-I252 HydrophobicContact CD2-CG2 4.17Å; L214-I252 HydrophobicContact CG-CG2 4.34Å; E215-I252 HydrophobicContact CB-CD1 4.4Å; I218-I252 HydrophobicContact CD1-CG2 3.66Å; E248-I252 PolarHBondContact O-N 3.21Å; I249-I252 PolarHBondContact O-N 3.2Å; A250-I252 VanDerWaalsContact C-N 3.29Å; A250-I252 PolarHBondContact O-N 3.15Å; I252-K255 PolarHBondContact O-N 3.2Å; I252-N256 WeakPolarHBondContact O-CB 3.23Å; I252-N256 PolarHBondContact O-N 3.08Å; I252-N256 VanDerWaalsContact O-N 3.07Å; I252-N256 PolarHBondContact O-ND2 2.89Å
253C98.9Very high98.8Very high3 Ų336.8 Ų36.82%0.0218%0.176CC..Hα-helixtrans-63.1-42.8179.3-72.40000112V231 I249 A250 N256 K257 L258 L260V231-C253 VanDerWaalsContact CG2-SG 3.51Å; I249-C253 PolarHBondContact O-N 2.82Å; I249-C253 PolarHBondContact O-SG 2.97Å; I249-C253 VanDerWaalsContact O-SG 3.34Å; A250-C253 PolarHBondContact O-N 3Å; C253-N256 CarbonylContact O-C 3.47Å; C253-N256 PolarHBondContact O-N 3.15Å; C253-K257 CarbonylContact O-C 3.59Å; C253-K257 WeakPolarHBondContact O-CA 3.07Å; C253-K257 PolarHBondContact O-N 3.09Å; C253-L258 HydrophobicContact CB-CB 4.26Å; C253-L258 PolarHBondContact O-N 2.92Å; C253-L260 HydrophobicContact CB-CB 4.09Å
254E98.8Very high98.8Very high111 Ų11136.7 Ų36.752%0.51918%0.176SC..Hα-helixtrans-63.7-46.3177.9-73.7169.9-165.600111.3A250 N256 K257 R285A250-E254 WeakPolarHBondContact O-CB 3.46Å; A250-E254 VanDerWaalsContact O-CG 3.31Å; A250-E254 WeakPolarHBondContact O-CG 3.49Å; A250-E254 PolarHBondContact O-N 3.03Å; E254-N256 PolarHBondContact O-N 2.8Å; E254-K257 PolarHBondContact O-N 3.22Å; E254-R285 IonicContact OE1-CZ 2.67Å; E254-R285 IonicContact OE1-NE 3.39Å; E254-R285 PolarHBondContact OE1-NE 2.95Å; E254-R285 IonicContact OE1-NH2 2.91Å; E254-R285 PolarHBondContact OE1-NH2 3.46Å; E254-R285 IonicContact OE2-CZ 3.21Å; E254-R285 IonicContact OE2-NH2 2.84Å; E254-R285 PolarHBondContact OE2-NH2 3.48Å
255K98.5Very high98.8Very high144 Ų14436.9 Ų36.963%0.62618%0.177SC*.Hα-helixtrans-56-39.8174.6176.9-178173.1-172.50112.2E215 D251 I252E215-K255 IonicContact OE1-NZ 3.05Å; E215-K255 PolarHBondContact OE1-NZ 2.87Å; D251-K255 WeakPolarHBondContact O-CB 3.19Å; D251-K255 PolarHBondContact O-N 2.76Å; I252-K255 PolarHBondContact O-N 3.2Å
256N98.4Very high98.8Very high23 Ų2335.7 Ų35.712%0.12317%0.168CC..Hα-helixtrans-97.91.6-174.3-69.1-71000114.1K222 I252 C253 E254 L258K222-N256 PolarHBondContact NZ-OD1 3.38Å; I252-N256 WeakPolarHBondContact O-CB 3.23Å; I252-N256 PolarHBondContact O-N 3.08Å; I252-N256 VanDerWaalsContact O-N 3.07Å; I252-N256 PolarHBondContact O-ND2 2.89Å; C253-N256 CarbonylContact O-C 3.47Å; C253-N256 PolarHBondContact O-N 3.15Å; E254-N256 PolarHBondContact O-N 2.8Å; N256-L258 VanDerWaalsContact C-N 3.28Å; N256-L258 HydrophobicContact CB-CD1 3.87Å; N256-L258 HydrophobicContact CB-CD2 4.21Å; N256-L258 HydrophobicContact CB-CG 3.66Å; N256-L258 WeakPolarHBondContact O-CD2 3.48Å; N256-L258 PolarHBondContact O-N 3.38Å
257K98.1Very high98.8Very high177 Ų17735.6 Ų35.677%0.7717%0.168SC*.THydrogen-bonded Turntrans5440.5-176-54.6179.2-177.6177.50113.3H157 C253 E254H157-K257 PolarHBondContact NE2-O 3.13Å; C253-K257 CarbonylContact O-C 3.59Å; C253-K257 WeakPolarHBondContact O-CA 3.07Å; C253-K257 PolarHBondContact O-N 3.09Å; E254-K257 PolarHBondContact O-N 3.22Å
258L98.8Very high98.8Very high12 Ų1233.7 Ų33.76%0.06316%0.158CC..  trans-94.2147.3-179.8-50.9-178.6000110.8I218 P228 V231 C253 N256 L260I218-L258 HydrophobicContact CD1-CD1 3.56Å; I218-L258 HydrophobicContact CG1-CD1 4.07Å; P228-L258 HydrophobicContact CB-CD1 4.25Å; P228-L258 HydrophobicContact CB-CD2 3.59Å; P228-L258 VanDerWaalsContact O-CD2 3.3Å; P228-L258 WeakPolarHBondContact O-CD2 3.44Å; V231-L258 HydrophobicContact CG2-CB 4.47Å; V231-L258 HydrophobicContact CG2-CD1 3.84Å; C253-L258 HydrophobicContact CB-CB 4.26Å; C253-L258 PolarHBondContact O-N 2.92Å; N256-L258 VanDerWaalsContact C-N 3.28Å; N256-L258 HydrophobicContact CB-CD1 3.87Å; N256-L258 HydrophobicContact CB-CD2 4.21Å; N256-L258 HydrophobicContact CB-CG 3.66Å; N256-L258 WeakPolarHBondContact O-CD2 3.48Å; N256-L258 PolarHBondContact O-N 3.38Å; L258-L260 PolarHBondContact O-N 3.38Å
259W98.9Very high98.8Very high2 Ų228.5 Ų28.51%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-67.1123.7168.2-175.6-73.4000109.9L152 A153 R156 F229 M230 V231 D287 S288 V308 L314L152-W259 HydrophobicContact CB-CH2 4.12Å; L152-W259 HydrophobicContact CB-CZ2 4.31Å; L152-W259 HydrophobicContact CD2-CH2 4.42Å; A153-W259 HydrophobicContact CB-CB 3.63Å; A153-W259 HydrophobicContact CB-CD2 3.74Å; A153-W259 HydrophobicContact CB-CE3 4.21Å; A153-W259 HydrophobicContact CB-CG 3.46Å; A153-W259 VanDerWaalsContact CB-CG 3.46Å; R156-W259 HydrophobicContact CB-CE3 4.49Å; R156-W259 HydrophobicContact CB-CZ3 4.32Å; R156-W259 VanDerWaalsContact CD-CZ3 3.46Å; F229-W259 WeakPolarHBondContact O-CB 3.23Å; F229-W259 PolarHBondContact O-N 3.11Å; M230-W259 CarbonylContact C-O 3.54Å; M230-W259 VanDerWaalsContact CA-O 3.32Å; M230-W259 WeakPolarHBondContact CA-O 3.35Å; M230-W259 HydrophobicContact CB-CB 4.39Å; M230-W259 HydrophobicContact CG-CB 4.4Å; V231-W259 PolarHBondContact N-O 3.44Å; W259-D287 WeakPolarHBondContact CA-OD2 3.13Å; W259-D287 HydrophobicContact CD2-CB 3.53Å; W259-D287 HydrophobicContact CE3-CB 3.96Å; W259-D287 HydrophobicContact CG-CB 4.01Å; W259-D287 HydrophobicContact CH2-CB 4.06Å; W259-D287 HydrophobicContact CZ2-CB 3.63Å; W259-D287 HydrophobicContact CZ3-CB 4.21Å; W259-S288 PolarHBondContact NE1-OG 3.38Å; W259-V308 HydrophobicContact CH2-CG2 3.68Å; W259-V308 HydrophobicContact CZ2-CG2 3.93Å; W259-L314 HydrophobicContact CH2-CD2 3.77Å; W259-L314 HydrophobicContact CZ3-CD2 3.75Å
260L98.9Very high98.7Very high4 Ų428.5 Ų28.52%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-100114.8171.9-178.251.7000110.4V231 A233 I249 A250 C253 L258 V286 D287 S288V231-L260 HydrophobicContact CB-CD1 4.23Å; V231-L260 HydrophobicContact CG1-CD1 4.34Å; A233-L260 HydrophobicContact CB-CD1 4.22Å; I249-L260 HydrophobicContact CG2-CD1 3.68Å; I249-L260 HydrophobicContact CG2-CD2 4.25Å; A250-L260 HydrophobicContact CB-CD2 3.72Å; C253-L260 HydrophobicContact CB-CB 4.09Å; L258-L260 PolarHBondContact O-N 3.38Å; L260-V286 HydrophobicContact CB-CB 4.32Å; L260-V286 HydrophobicContact CD2-CB 4.26Å; L260-V286 HydrophobicContact CD2-CG1 3.62Å; L260-V286 HydrophobicContact CG-CB 3.96Å; L260-V286 HydrophobicContact CG-CG1 3.77Å; L260-D287 PolarHBondContact N-OD2 3.33Å; L260-D287 PolarHBondContact O-N 3.46Å; L260-S288 PolarHBondContact O-N 3.42Å
261H98.9Very high98.7Very high0 Ų029.5 Ų29.50%014%0.139CC..EExtended strand (participates in β ladder)trans-104.5138.9169.4178.855.1000110.6N146 A149 M230 V231 N232 A233 S288 S290N146-H261 PolarHBondContact OD1-NE2 3.16Å; A149-H261 HydrophobicContact CB-CB 4.16Å; A149-H261 VanDerWaalsContact CB-CG 3.49Å; A149-H261 WeakPolarHBondContact CB-ND1 3.1Å; M230-H261 HydrophobicContact CE-CB 3.34Å; V231-H261 PolarHBondContact O-N 3.34Å; N232-H261 WeakPolarHBondContact CA-O 3.3Å; N232-H261 PolarHBondContact OD1-CD2 2.83Å; N232-H261 VanDerWaalsContact OD1-CD2 3.26Å; A233-H261 PolarHBondContact N-O 2.89Å; H261-S288 WeakPolarHBondContact CA-O 3.18Å; H261-S288 PolarHBondContact ND1-O 2.94Å; H261-S288 PolarHBondContact ND1-OG 3.44Å; H261-S290 PolarHBondContact CE1-N 2.9Å; H261-S290 PolarHBondContact CE1-OG 3.26Å; H261-S290 PolarHBondContact NE2-OG 3.45Å
262V98.9Very high98.7Very high0 Ų025.6 Ų25.60%012%0.118CC..EExtended strand (participates in β ladder)trans-110.5115.3167.7178.30000110.5A233 A235 I246 A264 I283 V286 S288 V289 S290A233-V262 HydrophobicContact CB-CG2 4.26Å; A233-V262 CarbonylContact O-C 3.57Å; A233-V262 WeakPolarHBondContact O-CA 3.09Å; A235-V262 HydrophobicContact CB-CG1 3.7Å; I246-V262 HydrophobicContact CD1-CG1 4.07Å; I246-V262 HydrophobicContact CD1-CG2 4.1Å; I246-V262 HydrophobicContact CG1-CG2 4.16Å; I246-V262 HydrophobicContact CG2-CG2 3.99Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 HydrophobicContact CG1-CB 4.16Å; V262-A264 PolarHBondContact O-N 3.31Å; V262-I283 HydrophobicContact CB-CD1 3.56Å; V262-I283 HydrophobicContact CG1-CD1 3.64Å; V262-I283 HydrophobicContact CG2-CD1 3.64Å; V262-V286 HydrophobicContact CG2-CB 4.24Å; V262-V286 HydrophobicContact CG2-CG1 3.69Å; V262-V286 HydrophobicContact CG2-CG2 4.16Å; V262-S288 PolarHBondContact N-O 2.97Å; V262-V289 WeakPolarHBondContact O-CA 3.39Å; V262-S290 PolarHBondContact O-N 3.03Å
263D98.9Very high98.6Very high8 Ų824.9 Ų24.94%0.04311%0.114CC..EExtended strand (participates in β ladder)trans-74.890.8164-175.9-6.8000108.9N146 A233 A235 C265N146-D263 PolarHBondContact ND2-OD2 3.4Å; A233-D263 PolarHBondContact O-N 2.81Å; A235-D263 PolarHBondContact N-O 2.76Å; D263-C265 WeakPolarHBondContact OD1-CB 3.44Å; D263-C265 PolarHBondContact OD1-N 3.37Å; D263-C265 PolarHBondContact OD1-SG 3.4Å
264A98.9Very high98.6Very high1 Ų129.5 Ų29.51%0.00814%0.139CC..  trans-9923.317300000111.4A235 V262 W266 G268 M280 V289 S290A235-A264 HydrophobicContact CB-CB 4.4Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 HydrophobicContact CG1-CB 4.16Å; V262-A264 PolarHBondContact O-N 3.31Å; A264-W266 PolarHBondContact O-N 2.69Å; A264-W266 VanDerWaalsContact O-N 3.09Å; A264-G268 VanDerWaalsContact O-CA 3.32Å; A264-G268 WeakPolarHBondContact O-CA 3.2Å; A264-G268 PolarHBondContact O-N 2.86Å; A264-M280 HydrophobicContact CB-CE 3.61Å; A264-V289 HydrophobicContact CB-CG1 3.75Å; A264-S290 CarbonylContact C-O 3.48Å; A264-S290 WeakPolarHBondContact CA-O 3.26Å; A264-S290 VanDerWaalsContact CB-O 3.29Å; A264-S290 WeakPolarHBondContact CB-O 3.47Å; A264-S290 PolarHBondContact N-O 2.86Å
265C98.9Very high98.6Very high5 Ų529.9 Ų29.93%0.03414%0.139CC..THydrogen-bonded Turntrans-53.7-40.2-175.2-750000110.9G142 D263 S290 N292 K295G142-C265 VanDerWaalsContact CA-SG 3.57Å; D263-C265 WeakPolarHBondContact OD1-CB 3.44Å; D263-C265 PolarHBondContact OD1-N 3.37Å; D263-C265 PolarHBondContact OD1-SG 3.4Å; C265-S290 PolarHBondContact N-O 3.23Å; C265-S290 VanDerWaalsContact SG-CB 3.59Å; C265-N292 HydrophobicContact CB-CB 4.44Å; C265-N292 VanDerWaalsContact O-CB 3.26Å; C265-N292 WeakPolarHBondContact O-CB 3.5Å; C265-N292 PolarHBondContact O-N 2.97Å; C265-N292 PolarHBondContact SG-OD1 3.35Å; C265-K295 WeakPolarHBondContact O-CD 3.33Å
266W98.9Very high98.6Very high4 Ų423.6 Ų23.62%0.01511%0.112CC..THydrogen-bonded Turntrans-96.1-52.8178.3176.7-137000113.3L82 A264 G268 K295 M296 Y399 A400 N401 V458 I460L82-W266 HydrophobicContact CB-CD2 4.44Å; L82-W266 HydrophobicContact CB-CE3 4.21Å; L82-W266 HydrophobicContact CB-CZ3 4.39Å; L82-W266 HydrophobicContact CD1-CB 4.36Å; L82-W266 HydrophobicContact CD1-CD2 4.36Å; L82-W266 HydrophobicContact CD1-CG 4.14Å; L82-W266 HydrophobicContact CD2-CD2 3.99Å; L82-W266 HydrophobicContact CD2-CE3 4.49Å; L82-W266 HydrophobicContact CD2-CG 4.37Å; L82-W266 HydrophobicContact CD2-CH2 4.48Å; L82-W266 HydrophobicContact CD2-CZ2 4.01Å; A264-W266 PolarHBondContact O-N 2.69Å; A264-W266 VanDerWaalsContact O-N 3.09Å; W266-G268 VanDerWaalsContact C-N 3.32Å; W266-G268 PolarHBondContact O-N 2.85Å; W266-K295 HydrophobicContact CB-CD 4.14Å; W266-K295 HydrophobicContact CE3-CB 3.62Å; W266-K295 HydrophobicContact CE3-CD 3.88Å; W266-K295 HydrophobicContact CE3-CG 4.38Å; W266-K295 HydrophobicContact CZ3-CB 3.85Å; W266-M296 HydrophobicContact CE3-CB 4.23Å; W266-M296 HydrophobicContact CH2-CB 4.28Å; W266-M296 HydrophobicContact CH2-CE 3.48Å; W266-M296 VanDerWaalsContact CH2-CE 3.48Å; W266-M296 HydrophobicContact CH2-SD 4.32Å; W266-M296 HydrophobicContact CZ2-CE 3.89Å; W266-M296 HydrophobicContact CZ3-CB 3.67Å; W266-M296 HydrophobicContact CZ3-CE 4.09Å; W266-Y399 AromaticContact CD1-CD1 3.83Å; W266-Y399 AromaticContact CD1-CE1 3.77Å; W266-Y399 HydrophobicContact CD2-CD1 4.42Å; W266-Y399 AromaticContact CD2-CE1 3.73Å; W266-Y399 HydrophobicContact CD2-CE1 3.73Å; W266-Y399 AromaticContact CE2-CD1 3.69Å; W266-Y399 AromaticContact CE2-CE1 3.34Å; W266-Y399 HydrophobicContact CE3-CE1 4.42Å; W266-Y399 HydrophobicContact CG-CD1 4.48Å; W266-Y399 AromaticContact CG-CE1 3.98Å; W266-Y399 HydrophobicContact CG-CE1 3.98Å; W266-Y399 HydrophobicContact CH2-CE1 4.46Å; W266-Y399 HydrophobicContact CZ2-CD1 4.1Å; W266-Y399 AromaticContact CZ2-CE1 3.74Å; W266-Y399 HydrophobicContact CZ2-CE1 3.74Å; W266-Y399 AromaticContact NE1-CD1 3.3Å; W266-Y399 VanDerWaalsContact NE1-CD1 3.3Å; W266-Y399 AromaticContact NE1-CE1 3.38Å; W266-Y399 PolarHBondContact O-OH 2.95Å; W266-A400 HydrophobicContact CZ2-CB 4.1Å; W266-N401 PolarHBondContact NE1-OD1 3.05Å; W266-V458 HydrophobicContact CH2-CG1 3.62Å; W266-V458 HydrophobicContact CZ2-CG1 3.53Å; W266-I460 HydrophobicContact CH2-CD1 3.79Å; W266-I460 HydrophobicContact CH2-CG1 3.62Å; W266-I460 HydrophobicContact CZ3-CD1 3.93Å; W266-I460 HydrophobicContact CZ3-CG1 4.1Å
267G98.7Very high98.6Very high0 Ų026.8 Ų26.80%012%0.124CC..G310 helixtrans-75-13.6-175.100000115.1A235 A269 V270 M280A235-G267 WeakPolarHBondContact O-CA 3.1Å; A235-G267 PolarHBondContact O-N 3Å; G267-A269 PolarHBondContact O-N 2.88Å; G267-V270 WeakPolarHBondContact O-CG2 3.02Å; G267-V270 PolarHBondContact O-N 2.93Å; G267-M280 VanDerWaalsContact C-CE 3.45Å; G267-M280 WeakPolarHBondContact O-CE 3.31Å
268G98.7Very high98.6Very high0 Ų024.8 Ų24.80%012%0.121CC..G310 helixtrans-51.6-31.5-17500000114.7A264 W266 V270 L271 W291A264-G268 VanDerWaalsContact O-CA 3.32Å; A264-G268 WeakPolarHBondContact O-CA 3.2Å; A264-G268 PolarHBondContact O-N 2.86Å; W266-G268 VanDerWaalsContact C-N 3.32Å; W266-G268 PolarHBondContact O-N 2.85Å; G268-V270 PolarHBondContact O-N 3.2Å; G268-V270 VanDerWaalsContact O-N 3.16Å; G268-L271 WeakPolarHBondContact O-CB 3.42Å; G268-L271 WeakPolarHBondContact O-CG 3.32Å; G268-L271 PolarHBondContact O-N 3.35Å; G268-L271 VanDerWaalsContact O-N 3.09Å; G268-W291 VanDerWaalsContact C-CZ2 3.49Å; G268-W291 WeakPolarHBondContact O-CZ2 3.33Å
269A98.3Very high98.6Very high1 Ų126.2 Ų26.21%0.00813%0.129CC..G310 helixtrans-61.1-23178.700000114.4G267 L271 M272 M296 L297 V371G267-A269 PolarHBondContact O-N 2.88Å; A269-L271 PolarHBondContact O-N 3.5Å; A269-L271 VanDerWaalsContact O-N 3.16Å; A269-M272 WeakPolarHBondContact O-CB 3.33Å; A269-M272 PolarHBondContact O-N 2.82Å; A269-M296 HydrophobicContact CB-CB 3.51Å; A269-M296 HydrophobicContact CB-CG 3.45Å; A269-M296 VanDerWaalsContact CB-CG 3.45Å; A269-L297 HydrophobicContact CB-CD2 3.81Å; A269-L297 HydrophobicContact CB-CG 4.01Å; A269-V371 HydrophobicContact CB-CG2 3.98Å
270V98.6Very high98.5Very high0 Ų026.2 Ų26.20%013%0.129CC..G310 helixtrans-63-21175.5-56.90000112.8F243 G267 G268 M272 S273 H276 K277 L279 M280 Y399F243-V270 HydrophobicContact CE1-CG2 4Å; F243-V270 HydrophobicContact CZ-CG1 3.99Å; F243-V270 HydrophobicContact CZ-CG2 4.27Å; G267-V270 WeakPolarHBondContact O-CG2 3.02Å; G267-V270 PolarHBondContact O-N 2.93Å; G268-V270 PolarHBondContact O-N 3.2Å; G268-V270 VanDerWaalsContact O-N 3.16Å; V270-M272 PolarHBondContact O-N 2.96Å; V270-S273 PolarHBondContact O-N 3.43Å; V270-H276 HydrophobicContact CB-CB 4.29Å; V270-H276 HydrophobicContact CG1-CB 4.49Å; V270-K277 WeakPolarHBondContact O-CA 3.34Å; V270-K277 PolarHBondContact O-N 3.03Å; V270-L279 HydrophobicContact CG1-CD1 4.14Å; V270-L279 HydrophobicContact CG2-CB 4.34Å; V270-M280 HydrophobicContact CG2-CE 4.23Å; V270-M280 HydrophobicContact CG2-CG 3.46Å; V270-M280 VanDerWaalsContact CG2-CG 3.46Å; V270-Y399 HydrophobicContact CG1-CD2 3.82Å; V270-Y399 HydrophobicContact CG1-CE2 3.2Å
271L98.6Very high98.5Very high22 Ų2232.3 Ų32.312%0.11516%0.155CC..G310 helixtrans-66.8-19174.8-63.3174.3000112.8T127 V128 G268 A269 S273 M280 I283 W291T127-L271 HydrophobicContact CG2-CB 3.64Å; V128-L271 HydrophobicContact CG2-CD1 4.12Å; G268-L271 WeakPolarHBondContact O-CB 3.42Å; G268-L271 WeakPolarHBondContact O-CG 3.32Å; G268-L271 PolarHBondContact O-N 3.35Å; G268-L271 VanDerWaalsContact O-N 3.09Å; A269-L271 PolarHBondContact O-N 3.5Å; A269-L271 VanDerWaalsContact O-N 3.16Å; L271-S273 VanDerWaalsContact C-N 3.29Å; L271-M280 HydrophobicContact CD2-CB 3.6Å; L271-M280 HydrophobicContact CD2-CG 3.83Å; L271-M280 HydrophobicContact CG-CB 4.46Å; L271-M280 HydrophobicContact CG-CG 4.18Å; L271-I283 HydrophobicContact CD2-CG2 4.12Å; L271-W291 HydrophobicContact CB-CH2 4.28Å; L271-W291 HydrophobicContact CD1-CZ3 4.12Å
272M97.6Very high98.5Very high6 Ų632.4 Ų32.43%0.0316%0.157CC..G310 helixtrans-73.6-23.3170.7-58.6-59.8-17300112.1L124 T127 A269 V270 W291 L297 F355 W359 E368L124-M272 HydrophobicContact CD2-CE 4.46Å; T127-M272 HydrophobicContact CG2-SD 4.31Å; A269-M272 WeakPolarHBondContact O-CB 3.33Å; A269-M272 PolarHBondContact O-N 2.82Å; V270-M272 PolarHBondContact O-N 2.96Å; M272-W291 HydrophobicContact CE-CH2 3.51Å; M272-W291 HydrophobicContact CE-CZ2 3.71Å; M272-W291 HydrophobicContact CG-CH2 4.42Å; M272-W291 HydrophobicContact CG-CZ2 4.36Å; M272-W291 HydrophobicContact SD-CH2 4.23Å; M272-L297 HydrophobicContact CE-CD1 3.95Å; M272-L297 HydrophobicContact CG-CD2 4.44Å; M272-F355 HydrophobicContact CE-CZ 4.18Å; M272-W359 HydrophobicContact CE-CH2 3.38Å; M272-W359 HydrophobicContact CE-CZ2 3.56Å; M272-W359 HydrophobicContact CE-CZ3 4.01Å; M272-W359 HydrophobicContact SD-CH2 4.28Å; M272-W359 HydrophobicContact SD-CZ2 3.98Å; M272-E368 VanDerWaalsContact O-CB 3.31Å; M272-E368 WeakPolarHBondContact O-CB 3.37Å
273S98.4Very high98.5Very high0 Ų032.9 Ų32.90%016%0.159CC..  trans-97.4120-173.71680000112.2V270 L271 K275 H276 K277 D372V270-S273 PolarHBondContact O-N 3.43Å; L271-S273 VanDerWaalsContact C-N 3.29Å; S273-K275 PolarHBondContact O-N 3.33Å; S273-K275 PolarHBondContact OG-N 3.27Å; S273-H276 PolarHBondContact O-N 2.87Å; S273-H276 PolarHBondContact OG-CD2 2.83Å; S273-H276 PolarHBondContact OG-N 2.87Å; S273-K277 WeakPolarHBondContact O-CB 3.45Å; S273-K277 WeakPolarHBondContact O-CG 3.41Å; S273-K277 PolarHBondContact O-N 3.2Å; S273-D372 WeakPolarHBondContact CB-OD1 3.29Å; S273-D372 PolarHBondContact OG-OD1 3.33Å
274N98.1Very high98.5Very high99 Ų9936.9 Ų36.953%0.52918%0.177SC..THydrogen-bonded Turntrans-64-28.8173.7-71.7-61.1000112.7K277 E368N274-K277 PolarHBondContact OD1-NZ 3Å; N274-E368 VanDerWaalsContact CB-OE1 3.27Å; N274-E368 WeakPolarHBondContact CB-OE1 3.47Å; N274-E368 PolarHBondContact N-OE1 3.29Å; N274-E368 PolarHBondContact ND2-OE1 2.98Å; N274-E368 PolarHBondContact ND2-OE2 2.84Å
275K98.2Very high98.5Very high120 Ų12039.1 Ų39.152%0.52219%0.185SC..THydrogen-bonded Turntrans-74.1-33.7178.6-175.4177.6177.2-1770112.7S273S273-K275 PolarHBondContact O-N 3.33Å; S273-K275 PolarHBondContact OG-N 3.27Å
276H98.6Very high98.5Very high12 Ų1238.9 Ų38.96%0.05618%0.184CC..THydrogen-bonded Turntrans-115.1-11-169.3-62.9-67.9000114.9V270 S273 L278 L279 D372 L375V270-H276 HydrophobicContact CB-CB 4.29Å; V270-H276 HydrophobicContact CG1-CB 4.49Å; S273-H276 PolarHBondContact O-N 2.87Å; S273-H276 PolarHBondContact OG-CD2 2.83Å; S273-H276 PolarHBondContact OG-N 2.87Å; H276-L278 PolarHBondContact O-N 3.08Å; H276-L279 HydrophobicContact CB-CD1 4.4Å; H276-L279 WeakPolarHBondContact O-CB 3.31Å; H276-L279 WeakPolarHBondContact O-CG 3.4Å; H276-L279 PolarHBondContact O-N 3.39Å; H276-D372 IonicContact CD2-OD1 3.87Å; H276-D372 PolarHBondContact CD2-OD1 3.18Å; H276-D372 VanDerWaalsContact CD2-OD1 3.31Å; H276-L375 HydrophobicContact CB-CD2 4.01Å; H276-L375 VanDerWaalsContact CG-CD2 3.45Å
277K98.1Very high98.5Very high90 Ų9040.3 Ų40.339%0.39119%0.192SC..G310 helixtrans-55.4-22.2-179.664.1-175.7-180-1700115.2V270 S273 N274 L279 M280V270-K277 WeakPolarHBondContact O-CA 3.34Å; V270-K277 PolarHBondContact O-N 3.03Å; S273-K277 WeakPolarHBondContact O-CB 3.45Å; S273-K277 WeakPolarHBondContact O-CG 3.41Å; S273-K277 PolarHBondContact O-N 3.2Å; N274-K277 PolarHBondContact OD1-NZ 3Å; K277-L279 PolarHBondContact O-N 2.84Å; K277-M280 WeakPolarHBondContact O-CB 3.21Å; K277-M280 PolarHBondContact O-N 3.33Å
278L98.2Very high98.5Very high134 Ų13440.3 Ų40.370%0.70219%0.192SC*.G310 helixtrans-66.7-16.2176.1-67.4-179000113.7H276 M280 K281H276-L278 PolarHBondContact O-N 3.08Å; L278-M280 PolarHBondContact O-N 3.26Å; L278-M280 VanDerWaalsContact O-N 3.15Å; L278-K281 WeakPolarHBondContact O-CB 3.48Å; L278-K281 PolarHBondContact O-N 3.4Å; L278-K281 VanDerWaalsContact O-N 3.08Å
279L98.6Very high98.5Very high42 Ų4240.3 Ų40.322%0.2219%0.192CC..G310 helixtrans-58.7-21.5166.8-68.7172.3000112.3F243 V270 H276 K277 E398F243-L279 HydrophobicContact CD1-CB 3.83Å; F243-L279 WeakPolarHBondContact CD1-O 3.44Å; F243-L279 HydrophobicContact CD2-CB 4.33Å; F243-L279 HydrophobicContact CD2-CD1 4.39Å; F243-L279 HydrophobicContact CD2-CD2 4.4Å; F243-L279 HydrophobicContact CE1-CB 3.88Å; F243-L279 HydrophobicContact CE2-CB 4.4Å; F243-L279 HydrophobicContact CE2-CD1 3.98Å; F243-L279 HydrophobicContact CG-CB 4.06Å; F243-L279 HydrophobicContact CZ-CB 4.19Å; F243-L279 HydrophobicContact CZ-CD1 4.11Å; V270-L279 HydrophobicContact CG1-CD1 4.14Å; V270-L279 HydrophobicContact CG2-CB 4.34Å; H276-L279 HydrophobicContact CB-CD1 4.4Å; H276-L279 WeakPolarHBondContact O-CB 3.31Å; H276-L279 WeakPolarHBondContact O-CG 3.4Å; H276-L279 PolarHBondContact O-N 3.39Å; K277-L279 PolarHBondContact O-N 2.84Å; L279-E398 HydrophobicContact CD2-CG 3.72Å
280M98.4Very high98.5Very high3 Ų340.2 Ų40.22%0.01519%0.191CC..G310 helixtrans-105.423.1177.9-68.9-79.1-15800112.7A235 F243 I246 A264 G267 V270 L271 K277 L278 G282 I283A235-M280 HydrophobicContact CB-CE 3.3Å; A235-M280 HydrophobicContact CB-SD 3.28Å; A235-M280 WeakPolarHBondContact CB-SD 3.47Å; F243-M280 HydrophobicContact CD1-CG 4.47Å; F243-M280 HydrophobicContact CD1-SD 4.27Å; F243-M280 HydrophobicContact CE1-CE 3.92Å; F243-M280 HydrophobicContact CE1-CG 4.18Å; F243-M280 HydrophobicContact CE1-SD 4.15Å; I246-M280 HydrophobicContact CD1-SD 3.88Å; A264-M280 HydrophobicContact CB-CE 3.61Å; G267-M280 VanDerWaalsContact C-CE 3.45Å; G267-M280 WeakPolarHBondContact O-CE 3.31Å; V270-M280 HydrophobicContact CG2-CE 4.23Å; V270-M280 HydrophobicContact CG2-CG 3.46Å; V270-M280 VanDerWaalsContact CG2-CG 3.46Å; L271-M280 HydrophobicContact CD2-CB 3.6Å; L271-M280 HydrophobicContact CD2-CG 3.83Å; L271-M280 HydrophobicContact CG-CB 4.46Å; L271-M280 HydrophobicContact CG-CG 4.18Å; K277-M280 WeakPolarHBondContact O-CB 3.21Å; K277-M280 PolarHBondContact O-N 3.33Å; L278-M280 PolarHBondContact O-N 3.26Å; L278-M280 VanDerWaalsContact O-N 3.15Å; M280-G282 PolarHBondContact O-N 2.84Å; M280-I283 HydrophobicContact CB-CB 4.22Å; M280-I283 HydrophobicContact CB-CG2 4.13Å; M280-I283 VanDerWaalsContact O-CB 3.27Å; M280-I283 WeakPolarHBondContact O-CB 3.47Å; M280-I283 VanDerWaalsContact O-CG2 3.24Å; M280-I283 WeakPolarHBondContact O-CG2 3.05Å; M280-I283 PolarHBondContact O-N 3.24Å; M280-I283 HydrophobicContact SD-CD1 4.43Å
281K98.6Very high98.5Very high131 Ų13140.3 Ų40.357%0.5719%0.191SC*.THydrogen-bonded Turntrans-52.8126.9178.1-172.9-168.7-178.2-1270110.2D247 L278D247-K281 PolarHBondContact N-O 3Å; D247-K281 WeakPolarHBondContact OD2-CE 3.32Å; D247-K281 IonicContact OD2-NZ 2.67Å; D247-K281 PolarHBondContact OD2-NZ 3.16Å; L278-K281 WeakPolarHBondContact O-CB 3.48Å; L278-K281 PolarHBondContact O-N 3.4Å; L278-K281 VanDerWaalsContact O-N 3.08Å
282G98.6Very high98.6Very high3 Ų339.6 Ų39.63%0.03119%0.188CC..THydrogen-bonded Turntrans97.2-10.1-177.600000115.1M280 H284 R285M280-G282 PolarHBondContact O-N 2.84Å; G282-H284 PolarHBondContact O-N 3Å; G282-H284 VanDerWaalsContact O-N 3.08Å; G282-R285 WeakPolarHBondContact O-CB 3.22Å; G282-R285 PolarHBondContact O-N 3.48Å
283I98.8Very high98.6Very high9 Ų939.3 Ų39.35%0.04619%0.186CC..G310 helixtrans-56-31.3-175.7-169.265000114.6V128 I246 V262 L271 M280 R285 V286 V289V128-I283 HydrophobicContact CG1-CG1 4.15Å; I246-I283 HydrophobicContact CD1-CB 4.45Å; I246-I283 HydrophobicContact CD1-CD1 4.13Å; V262-I283 HydrophobicContact CB-CD1 3.56Å; V262-I283 HydrophobicContact CG1-CD1 3.64Å; V262-I283 HydrophobicContact CG2-CD1 3.64Å; L271-I283 HydrophobicContact CD2-CG2 4.12Å; M280-I283 HydrophobicContact CB-CB 4.22Å; M280-I283 HydrophobicContact CB-CG2 4.13Å; M280-I283 VanDerWaalsContact O-CB 3.27Å; M280-I283 WeakPolarHBondContact O-CB 3.47Å; M280-I283 VanDerWaalsContact O-CG2 3.24Å; M280-I283 WeakPolarHBondContact O-CG2 3.05Å; M280-I283 PolarHBondContact O-N 3.24Å; M280-I283 HydrophobicContact SD-CD1 4.43Å; I283-R285 PolarHBondContact O-N 2.71Å; I283-R285 VanDerWaalsContact O-N 3.17Å; I283-V286 HydrophobicContact CD1-CG2 4.13Å; I283-V286 VanDerWaalsContact O-CG2 3.3Å; I283-V286 WeakPolarHBondContact O-CG2 3.2Å; I283-V286 PolarHBondContact O-N 3.47Å; I283-V289 HydrophobicContact CD1-CG2 3.8Å; I283-V289 HydrophobicContact CG1-CG2 4.28Å
284H98.6Very high98.6Very high93 Ų9340 Ų4043%0.43119%0.19SC..G310 helixtrans-66-16.1178.665.4-80.3000113.5W130 G282 R309W130-H284 PolarHBondContact NE1-O 3.25Å; G282-H284 PolarHBondContact O-N 3Å; G282-H284 VanDerWaalsContact O-N 3.08Å; H284-R309 PolarHBondContact O-NH1 3.4Å
285R98.6Very high98.7Very high47 Ų4736.5 Ų36.518%0.17717%0.17CC..G310 helixtrans-82.2-19.2-179.1-60.8172.964.4-178.52113.3D247 A250 D251 E254 G282 I283 R309D247-R285 PolarHBondContact O-NH1 2.77Å; D247-R285 VanDerWaalsContact O-NH1 3.08Å; D247-R285 IonicContact OD1-CZ 2.71Å; D247-R285 IonicContact OD1-NH1 2.74Å; D247-R285 PolarHBondContact OD1-NH1 3.5Å; A250-R285 HydrophobicContact CB-CB 4.08Å; D251-R285 IonicContact OD1-CZ 2.72Å; D251-R285 IonicContact OD1-NH1 3.38Å; D251-R285 PolarHBondContact OD1-NH1 2.88Å; D251-R285 IonicContact OD1-NH2 2.64Å; D251-R285 PolarHBondContact OD1-NH2 3.26Å; E254-R285 IonicContact OE1-CZ 2.67Å; E254-R285 IonicContact OE1-NE 3.39Å; E254-R285 PolarHBondContact OE1-NE 2.95Å; E254-R285 IonicContact OE1-NH2 2.91Å; E254-R285 PolarHBondContact OE1-NH2 3.46Å; E254-R285 IonicContact OE2-CZ 3.21Å; E254-R285 IonicContact OE2-NH2 2.84Å; E254-R285 PolarHBondContact OE2-NH2 3.48Å; G282-R285 WeakPolarHBondContact O-CB 3.22Å; G282-R285 PolarHBondContact O-N 3.48Å; I283-R285 PolarHBondContact O-N 2.71Å; I283-R285 VanDerWaalsContact O-N 3.17Å; R285-R309 PolarHBondContact O-NH1 2.59Å
286V98.8Very high98.7Very high0 Ų031.1 Ų31.10%015%0.146CC..  trans-79.1160.7-166.7-42.90000112.8W130 I246 L260 V262 I283 V289W130-V286 HydrophobicContact CZ2-CG2 3.93Å; W130-V286 VanDerWaalsContact CZ2-O 3.27Å; W130-V286 WeakPolarHBondContact CZ2-O 3.22Å; I246-V286 HydrophobicContact CG2-CG1 3.69Å; L260-V286 HydrophobicContact CB-CB 4.32Å; L260-V286 HydrophobicContact CD2-CB 4.26Å; L260-V286 HydrophobicContact CD2-CG1 3.62Å; L260-V286 HydrophobicContact CG-CB 3.96Å; L260-V286 HydrophobicContact CG-CG1 3.77Å; V262-V286 HydrophobicContact CG2-CB 4.24Å; V262-V286 HydrophobicContact CG2-CG1 3.69Å; V262-V286 HydrophobicContact CG2-CG2 4.16Å; I283-V286 HydrophobicContact CD1-CG2 4.13Å; I283-V286 VanDerWaalsContact O-CG2 3.3Å; I283-V286 WeakPolarHBondContact O-CG2 3.2Å; I283-V286 PolarHBondContact O-N 3.47Å; V286-V289 HydrophobicContact CG2-CG2 3.65Å
287D98.9Very high98.7Very high34 Ų3430.9 Ų30.918%0.18215%0.145CC..SBendtrans-82.7-34.6-178.9-65.8-80.5000112.5R156 W259 L260 V308 R309R156-D287 IonicContact CZ-OD1 2.69Å; R156-D287 IonicContact NH1-OD1 3.83Å; R156-D287 PolarHBondContact NH1-OD1 3.4Å; W259-D287 WeakPolarHBondContact CA-OD2 3.13Å; W259-D287 HydrophobicContact CD2-CB 3.53Å; W259-D287 HydrophobicContact CE3-CB 3.96Å; W259-D287 HydrophobicContact CG-CB 4.01Å; W259-D287 HydrophobicContact CH2-CB 4.06Å; W259-D287 HydrophobicContact CZ2-CB 3.63Å; W259-D287 HydrophobicContact CZ3-CB 4.21Å; L260-D287 PolarHBondContact N-OD2 3.33Å; L260-D287 PolarHBondContact O-N 3.46Å; D287-V308 WeakPolarHBondContact O-CA 3.32Å; D287-V308 WeakPolarHBondContact O-CG2 3.39Å; D287-R309 PolarHBondContact O-N 2.97Å
288S98.9Very high98.6Very high0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans-150.3155.9176.859.60000114.8W259 L260 H261 V262 L307W259-S288 PolarHBondContact NE1-OG 3.38Å; L260-S288 PolarHBondContact O-N 3.42Å; H261-S288 WeakPolarHBondContact CA-O 3.18Å; H261-S288 PolarHBondContact ND1-O 2.94Å; H261-S288 PolarHBondContact ND1-OG 3.44Å; V262-S288 PolarHBondContact N-O 2.97Å; S288-L307 CarbonylContact C-O 3.52Å; S288-L307 WeakPolarHBondContact CA-O 3.11Å; S288-L307 WeakPolarHBondContact CB-O 3.46Å
289V98.9Very high98.6Very high0 Ų021 Ų210%010%0.098CC..EExtended strand (participates in β ladder)trans-134132.7179.8-1780000110.1V128 W130 V262 A264 I283 V286 L307V128-V289 HydrophobicContact CG1-CG2 4.23Å; V128-V289 HydrophobicContact CG2-CG2 4.37Å; W130-V289 HydrophobicContact CH2-CG2 3.93Å; W130-V289 HydrophobicContact CZ2-CG2 4.06Å; V262-V289 WeakPolarHBondContact O-CA 3.39Å; A264-V289 HydrophobicContact CB-CG1 3.75Å; I283-V289 HydrophobicContact CD1-CG2 3.8Å; I283-V289 HydrophobicContact CG1-CG2 4.28Å; V286-V289 HydrophobicContact CG2-CG2 3.65Å; V289-L307 HydrophobicContact CB-CB 4.42Å; V289-L307 PolarHBondContact N-O 3.49Å; V289-L307 PolarHBondContact O-N 3.12Å
290S98.9Very high98.6Very high0 Ų020.5 Ų20.50%010%0.097CC..EExtended strand (participates in β ladder)trans-98.8131.2165.2-65.20000108.8S145 N146 H261 V262 A264 C265S145-S290 WeakPolarHBondContact CB-OG 3.43Å; N146-S290 PolarHBondContact N-OG 3.09Å; N146-S290 VanDerWaalsContact OD1-CB 3.23Å; N146-S290 WeakPolarHBondContact OD1-CB 3.38Å; N146-S290 PolarHBondContact OD1-OG 3.27Å; H261-S290 PolarHBondContact CE1-N 2.9Å; H261-S290 PolarHBondContact CE1-OG 3.26Å; H261-S290 PolarHBondContact NE2-OG 3.45Å; V262-S290 PolarHBondContact O-N 3.03Å; A264-S290 CarbonylContact C-O 3.48Å; A264-S290 WeakPolarHBondContact CA-O 3.26Å; A264-S290 VanDerWaalsContact CB-O 3.29Å; A264-S290 WeakPolarHBondContact CB-O 3.47Å; A264-S290 PolarHBondContact N-O 2.86Å; C265-S290 PolarHBondContact N-O 3.23Å; C265-S290 VanDerWaalsContact SG-CB 3.59Å
291W98.9Very high98.6Very high1 Ų124.4 Ų24.40%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-142.6128.5179.1-178.46.4000111L124 T127 G268 L271 M272 P293 L297 A305L124-W291 HydrophobicContact CD2-CD2 4.23Å; L124-W291 HydrophobicContact CD2-CE3 3.62Å; L124-W291 HydrophobicContact CD2-CH2 3.73Å; L124-W291 HydrophobicContact CD2-CZ2 4.31Å; L124-W291 HydrophobicContact CD2-CZ3 3.36Å; T127-W291 HydrophobicContact CG2-CH2 3.94Å; T127-W291 HydrophobicContact CG2-CZ3 4.03Å; G268-W291 VanDerWaalsContact C-CZ2 3.49Å; G268-W291 WeakPolarHBondContact O-CZ2 3.33Å; L271-W291 HydrophobicContact CB-CH2 4.28Å; L271-W291 HydrophobicContact CD1-CZ3 4.12Å; M272-W291 HydrophobicContact CE-CH2 3.51Å; M272-W291 HydrophobicContact CE-CZ2 3.71Å; M272-W291 HydrophobicContact CG-CH2 4.42Å; M272-W291 HydrophobicContact CG-CZ2 4.36Å; M272-W291 HydrophobicContact SD-CH2 4.23Å; W291-P293 WeakPolarHBondContact O-CD 3.46Å; W291-L297 HydrophobicContact CZ2-CD1 4.08Å; W291-A305 PolarHBondContact N-O 2.83Å; W291-A305 PolarHBondContact O-N 2.68Å
292N98.9Very high98.5Very high7 Ų722.2 Ų22.24%0.03711%0.11CC..  trans-106.195.9178.4-57.66.7000112.2G142 C265 H294 K295 C303 S304G142-N292 WeakPolarHBondContact CA-OD1 3.38Å; C265-N292 HydrophobicContact CB-CB 4.44Å; C265-N292 VanDerWaalsContact O-CB 3.26Å; C265-N292 WeakPolarHBondContact O-CB 3.5Å; C265-N292 PolarHBondContact O-N 2.97Å; C265-N292 PolarHBondContact SG-OD1 3.35Å; N292-H294 VanDerWaalsContact CB-CE1 3.47Å; N292-H294 WeakPolarHBondContact CB-CE1 3.5Å; N292-H294 VanDerWaalsContact CG-CE1 3.42Å; N292-H294 PolarHBondContact ND2-CE1 3.38Å; N292-H294 PolarHBondContact ND2-NE2 2.94Å; N292-H294 VanDerWaalsContact ND2-NE2 3.12Å; N292-H294 PolarHBondContact O-N 3Å; N292-H294 VanDerWaalsContact O-N 3.09Å; N292-K295 HydrophobicContact CB-CD 4.21Å; N292-K295 HydrophobicContact CB-CG 3.91Å; N292-K295 PolarHBondContact O-N 3.24Å; N292-K295 VanDerWaalsContact O-N 3.08Å; N292-C303 WeakPolarHBondContact CA-O 3.44Å; N292-S304 PolarHBondContact OD1-OG 3.25Å
293P98.8Very high98.5Very high0 Ų022.1 Ų22.10%011%0.108CC..THydrogen-bonded Turntrans-54-24.3166.5-28.934.1000114.1W291 K295 L297 M298 A299 C303 F355W291-P293 WeakPolarHBondContact O-CD 3.46Å; P293-K295 PolarHBondContact O-N 3Å; P293-K295 VanDerWaalsContact O-N 3.15Å; P293-L297 HydrophobicContact CB-CD1 4.45Å; P293-L297 CarbonylContact O-C 3.5Å; P293-L297 WeakPolarHBondContact O-CB 3.36Å; P293-M298 PolarHBondContact O-N 2.99Å; P293-A299 HydrophobicContact CB-CB 4.1Å; P293-A299 PolarHBondContact O-N 3.05Å; P293-A299 VanDerWaalsContact O-N 3.15Å; P293-C303 VanDerWaalsContact CD-O 3.3Å; P293-C303 WeakPolarHBondContact CD-O 3.5Å; P293-F355 HydrophobicContact CB-CB 4.46Å; P293-F355 HydrophobicContact CB-CD1 3.9Å; P293-F355 HydrophobicContact CB-CD2 3.85Å; P293-F355 HydrophobicContact CB-CE1 4.06Å; P293-F355 HydrophobicContact CB-CE2 4.02Å; P293-F355 HydrophobicContact CB-CG 3.81Å; P293-F355 HydrophobicContact CB-CZ 4.12Å; P293-F355 HydrophobicContact CG-CD1 3.67Å; P293-F355 HydrophobicContact CG-CD2 4.48Å; P293-F355 HydrophobicContact CG-CE1 3.66Å; P293-F355 HydrophobicContact CG-CE2 4.48Å; P293-F355 HydrophobicContact CG-CG 4.11Å; P293-F355 HydrophobicContact CG-CZ 4.09Å
294H98.8Very high98.5Very high15 Ų1521.7 Ų21.77%0.06911%0.106CC..THydrogen-bonded Turntrans-70.7-3.7177.567.3-110.7000115.7Y83 N292 A299 L301 C303Y83-H294 WeakPolarHBondContact CB-O 3.37Å; N292-H294 VanDerWaalsContact CB-CE1 3.47Å; N292-H294 WeakPolarHBondContact CB-CE1 3.5Å; N292-H294 VanDerWaalsContact CG-CE1 3.42Å; N292-H294 PolarHBondContact ND2-CE1 3.38Å; N292-H294 PolarHBondContact ND2-NE2 2.94Å; N292-H294 VanDerWaalsContact ND2-NE2 3.12Å; N292-H294 PolarHBondContact O-N 3Å; N292-H294 VanDerWaalsContact O-N 3.09Å; H294-A299 WeakPolarHBondContact CA-O 3.36Å; H294-A299 WeakPolarHBondContact CB-O 3.44Å; H294-L301 HydrophobicContact CB-CD2 4.09Å; H294-L301 HydrophobicContact CB-CG 4.4Å; H294-L301 WeakPolarHBondContact CD2-CD2 3.5Å; H294-C303 HydrophobicContact CB-CB 3.85Å; H294-C303 PolarHBondContact N-O 3.13Å; H294-C303 PolarHBondContact ND1-N 3.4Å; H294-C303 PolarHBondContact ND1-O 3.02Å
295K98.8Very high98.5Very high25 Ų2517.2 Ų17.211%0.1099%0.086CC..SBendtrans-93.7-103.3176.2-66.4-169-179.5175.70110.3L82 C265 W266 N292 P293 L297 M298L82-K295 HydrophobicContact CB-CD 3.94Å; L82-K295 HydrophobicContact CB-CG 4.42Å; L82-K295 HydrophobicContact CD1-CD 4.4Å; L82-K295 WeakPolarHBondContact O-CA 3.29Å; L82-K295 WeakPolarHBondContact O-CB 3.16Å; L82-K295 VanDerWaalsContact O-CG 3.23Å; L82-K295 WeakPolarHBondContact O-CG 3.13Å; C265-K295 WeakPolarHBondContact O-CD 3.33Å; W266-K295 HydrophobicContact CB-CD 4.14Å; W266-K295 HydrophobicContact CE3-CB 3.62Å; W266-K295 HydrophobicContact CE3-CD 3.88Å; W266-K295 HydrophobicContact CE3-CG 4.38Å; W266-K295 HydrophobicContact CZ3-CB 3.85Å; N292-K295 HydrophobicContact CB-CD 4.21Å; N292-K295 HydrophobicContact CB-CG 3.91Å; N292-K295 PolarHBondContact O-N 3.24Å; N292-K295 VanDerWaalsContact O-N 3.08Å; P293-K295 PolarHBondContact O-N 3Å; P293-K295 VanDerWaalsContact O-N 3.15Å; K295-L297 PolarHBondContact O-N 3.15Å; K295-M298 PolarHBondContact O-N 3.43Å
296M98.6Very high98.6Very high7 Ų715 Ų153%0.0348%0.077CC..THydrogen-bonded Turntrans-60.6-32.4-174.3179.261.480.900113W266 A269 M298 V371 A374 L375 Y399 A400 I460W266-M296 HydrophobicContact CE3-CB 4.23Å; W266-M296 HydrophobicContact CH2-CB 4.28Å; W266-M296 HydrophobicContact CH2-CE 3.48Å; W266-M296 VanDerWaalsContact CH2-CE 3.48Å; W266-M296 HydrophobicContact CH2-SD 4.32Å; W266-M296 HydrophobicContact CZ2-CE 3.89Å; W266-M296 HydrophobicContact CZ3-CB 3.67Å; W266-M296 HydrophobicContact CZ3-CE 4.09Å; A269-M296 HydrophobicContact CB-CB 3.51Å; A269-M296 HydrophobicContact CB-CG 3.45Å; A269-M296 VanDerWaalsContact CB-CG 3.45Å; M296-M298 VanDerWaalsContact C-N 3.32Å; M296-V371 HydrophobicContact CG-CG2 4.03Å; M296-A374 HydrophobicContact CE-CB 4.31Å; M296-A374 HydrophobicContact SD-CB 3.93Å; M296-L375 HydrophobicContact CE-CD1 4.17Å; M296-Y399 HydrophobicContact CE-CE1 4.1Å; M296-Y399 HydrophobicContact CE-CE2 4Å; M296-Y399 WeakPolarHBondContact CE-OH 3.34Å; M296-A400 HydrophobicContact CE-CB 3.54Å; M296-I460 HydrophobicContact SD-CG1 4.48Å
297L98.3Very high98.6Very high7 Ų715 Ų154%0.0378%0.077CC..THydrogen-bonded Turntrans-87.8-0.2-178.9-53.4179.9000113.3A269 M272 W291 P293 K295 A299 F355 M358 L367 V371A269-L297 HydrophobicContact CB-CD2 3.81Å; A269-L297 HydrophobicContact CB-CG 4.01Å; M272-L297 HydrophobicContact CE-CD1 3.95Å; M272-L297 HydrophobicContact CG-CD2 4.44Å; W291-L297 HydrophobicContact CZ2-CD1 4.08Å; P293-L297 HydrophobicContact CB-CD1 4.45Å; P293-L297 CarbonylContact O-C 3.5Å; P293-L297 WeakPolarHBondContact O-CB 3.36Å; K295-L297 PolarHBondContact O-N 3.15Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 2.96Å; L297-F355 HydrophobicContact CD1-CE2 3.82Å; L297-F355 HydrophobicContact CD1-CZ 3.83Å; L297-M358 HydrophobicContact CB-CE 3.89Å; L297-M358 WeakPolarHBondContact O-CE 3.26Å; L297-M358 VanDerWaalsContact O-SD 3.36Å; L297-L367 HydrophobicContact CD2-CD2 4.49Å; L297-V371 HydrophobicContact CD2-CG2 3.92Å
298M97.8Very high98.6Very high14 Ų1413.4 Ų13.47%0.0697%0.069CC..  trans62.519.6172.7-55.4169.755.100116.5E87 P293 K295 M296 I460 P462E87-M298 HydrophobicContact CB-CB 4.13Å; E87-M298 HydrophobicContact CB-CE 4.49Å; E87-M298 WeakPolarHBondContact CB-O 3.34Å; P293-M298 PolarHBondContact O-N 2.99Å; K295-M298 PolarHBondContact O-N 3.43Å; M296-M298 VanDerWaalsContact C-N 3.32Å; M298-I460 HydrophobicContact CG-CG2 3.59Å; M298-I460 HydrophobicContact SD-CG2 4.23Å; M298-P462 WeakPolarHBondContact SD-CD 3.36Å; M298-P462 HydrophobicContact SD-CG 4.17Å
299A98.3Very high98.5Very high3 Ų318.8 Ų18.83%0.0259%0.089CC..PPolyproline II helixtrans-58.9144.216900000110.2S90 P293 H294 L297 L301 C303 F355 M358S90-A299 WeakPolarHBondContact OG-CA 3.47Å; P293-A299 HydrophobicContact CB-CB 4.1Å; P293-A299 PolarHBondContact O-N 3.05Å; P293-A299 VanDerWaalsContact O-N 3.15Å; H294-A299 WeakPolarHBondContact CA-O 3.36Å; H294-A299 WeakPolarHBondContact CB-O 3.44Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-A299 PolarHBondContact O-N 2.96Å; A299-L301 PolarHBondContact O-N 3.35Å; A299-C303 HydrophobicContact CB-CB 3.95Å; A299-F355 HydrophobicContact CB-CB 4.36Å; A299-M358 HydrophobicContact CB-SD 4.43Å
300C97.6Very high98.5Very high31 Ų3120.1 Ų20.121%0.20910%0.096CC..PPolyproline II helixtrans-61139.9-179.5-67.50000111.6S90 Q302 K354S90-C300 PolarHBondContact OG-N 3.01Å; C300-Q302 CarbonylContact O-C 3.57Å; C300-K354 HydrophobicContact CB-CD 3.92Å; C300-K354 VanDerWaalsContact O-CD 3.3Å; C300-K354 WeakPolarHBondContact O-CD 3.2Å; C300-K354 WeakPolarHBondContact O-CE 3.46Å; C300-K354 PolarHBondContact O-NZ 2.8Å
301L97.6Very high98.3Very high85 Ų8525.4 Ų25.445%0.44512%0.119SC..SBendtrans-59.6140.3176.3-81.2164.2000111.1Y83 H294 A299 K354Y83-L301 HydrophobicContact CD1-CD1 3.94Å; Y83-L301 HydrophobicContact CD2-CD1 3.78Å; Y83-L301 HydrophobicContact CE1-CD1 3.84Å; Y83-L301 HydrophobicContact CE2-CD1 3.68Å; Y83-L301 HydrophobicContact CG-CD1 3.91Å; H294-L301 HydrophobicContact CB-CD2 4.09Å; H294-L301 HydrophobicContact CB-CG 4.4Å; H294-L301 WeakPolarHBondContact CD2-CD2 3.5Å; A299-L301 PolarHBondContact O-N 3.35Å; L301-K354 PolarHBondContact O-NZ 3.34Å
302Q97.6Very high98.2Very high86 Ų8629 Ų2940%0.40214%0.141SC..PPolyproline II helixcis-89.6148.6-14-62.5-179.8-5700110.9A140 C300 D351 K354A140-Q302 VanDerWaalsContact C-CD 3.47Å; A140-Q302 VanDerWaalsContact C-OE1 3.3Å; A140-Q302 VanDerWaalsContact CA-OE1 3.23Å; A140-Q302 PolarHBondContact O-NE2 3.48Å; A140-Q302 PolarHBondContact O-OE1 2.95Å; C300-Q302 CarbonylContact O-C 3.57Å; Q302-D351 WeakPolarHBondContact O-CB 3.48Å; Q302-K354 WeakPolarHBondContact O-CE 3.23Å; Q302-K354 PolarHBondContact O-NZ 3.17Å
303C98.7Very high98.1Very high0 Ų033.7 Ų33.70%016%0.163CC..  trans-150.894.3172.3-166.50000108.9F138 N292 P293 H294 A299 D351F138-C303 VanDerWaalsContact CE1-SG 3.58Å; N292-C303 WeakPolarHBondContact CA-O 3.44Å; P293-C303 VanDerWaalsContact CD-O 3.3Å; P293-C303 WeakPolarHBondContact CD-O 3.5Å; H294-C303 HydrophobicContact CB-CB 3.85Å; H294-C303 PolarHBondContact N-O 3.13Å; H294-C303 PolarHBondContact ND1-N 3.4Å; H294-C303 PolarHBondContact ND1-O 3.02Å; A299-C303 HydrophobicContact CB-CB 3.95Å; C303-D351 PolarHBondContact SG-O 3.03Å
304S98.8Very high98Very high0 Ų033.9 Ų33.90%016%0.164CC..EExtended strand (participates in β ladder)trans-132114.4-171.5-173.10000109.6F138 N139 G142 S145 N292F138-S304 CarbonylContact C-O 3.58Å; F138-S304 WeakPolarHBondContact CA-O 3.34Å; N139-S304 PolarHBondContact N-O 2.93Å; N139-S304 WeakPolarHBondContact O-CB 3.46Å; G142-S304 VanDerWaalsContact CA-OG 3.23Å; G142-S304 WeakPolarHBondContact CA-OG 3.14Å; G142-S304 PolarHBondContact N-OG 3.42Å; G142-S304 VanDerWaalsContact N-OG 3.09Å; S145-S304 PolarHBondContact OG-OG 3.41Å; N292-S304 PolarHBondContact OD1-OG 3.25Å
305A98.9Very high98Very high0 Ų033.1 Ų33.10%016%0.16CC..EExtended strand (participates in β ladder)trans-91.5134.2175.800000110L124 F138 W291 L307L124-A305 HydrophobicContact CD1-CB 3.75Å; F138-A305 HydrophobicContact CD1-CB 4.44Å; F138-A305 HydrophobicContact CE1-CB 4.02Å; F138-A305 HydrophobicContact CE2-CB 4.29Å; F138-A305 HydrophobicContact CZ-CB 3.93Å; W291-A305 PolarHBondContact N-O 2.83Å; W291-A305 PolarHBondContact O-N 2.68Å; A305-L307 HydrophobicContact CB-CD2 4.19Å
306F98.9Very high98Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-107.7122.9162.2176.6-111.3000108.3G136 L137 N139 S145 Y148 A149 L152 V308 L315G136-F306 CarbonylContact C-O 3.59Å; G136-F306 WeakPolarHBondContact CA-O 3.29Å; L137-F306 PolarHBondContact N-O 2.95Å; L137-F306 PolarHBondContact O-N 3.39Å; N139-F306 WeakPolarHBondContact OD1-CB 3.44Å; S145-F306 WeakPolarHBondContact O-CD2 3.3Å; Y148-F306 HydrophobicContact CD1-CD1 4.24Å; Y148-F306 HydrophobicContact CG-CD1 4.46Å; A149-F306 HydrophobicContact CB-CE2 3.65Å; A149-F306 HydrophobicContact CB-CZ 4.21Å; L152-F306 HydrophobicContact CD1-CE1 4.23Å; L152-F306 HydrophobicContact CD2-CE1 3.98Å; L152-F306 HydrophobicContact CD2-CZ 4.27Å; F306-V308 HydrophobicContact CE1-CB 4.36Å; F306-L315 HydrophobicContact CD1-CD2 4.21Å; F306-L315 HydrophobicContact CE1-CD2 3.98Å
307L98.9Very high97.9Very high0 Ų040.7 Ų40.70%019%0.191CC..EExtended strand (participates in β ladder)trans-115139.5-178.6-47.2175.4000108.5L121 L124 I125 V128 W130 S288 V289 A305L121-L307 HydrophobicContact CD2-CD2 3.67Å; L124-L307 HydrophobicContact CB-CD1 3.87Å; L124-L307 HydrophobicContact CB-CD2 4.17Å; I125-L307 HydrophobicContact CG1-CD2 4.28Å; V128-L307 HydrophobicContact CG2-CD1 3.9Å; W130-L307 HydrophobicContact CH2-CB 4.25Å; W130-L307 HydrophobicContact CZ3-CB 3.77Å; S288-L307 CarbonylContact C-O 3.52Å; S288-L307 WeakPolarHBondContact CA-O 3.11Å; S288-L307 WeakPolarHBondContact CB-O 3.46Å; V289-L307 HydrophobicContact CB-CB 4.42Å; V289-L307 PolarHBondContact N-O 3.49Å; V289-L307 PolarHBondContact O-N 3.12Å; A305-L307 HydrophobicContact CB-CD2 4.19Å
308V98.8Very high97.9Very high1 Ų140.7 Ų40.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-131.5137.2175.265.30000109.1W130 G134 D135 L152 W259 D287 F306 D310 L315W130-V308 VanDerWaalsContact CZ3-C 3.49Å; G134-V308 CarbonylContact C-O 3.59Å; G134-V308 WeakPolarHBondContact CA-O 3.31Å; D135-V308 HydrophobicContact CB-CG1 3.78Å; D135-V308 PolarHBondContact N-O 3.24Å; D135-V308 PolarHBondContact O-N 3.12Å; D135-V308 VanDerWaalsContact O-O 3.12Å; L152-V308 HydrophobicContact CD2-CB 4.49Å; L152-V308 HydrophobicContact CD2-CG2 4.1Å; W259-V308 HydrophobicContact CH2-CG2 3.68Å; W259-V308 HydrophobicContact CZ2-CG2 3.93Å; D287-V308 WeakPolarHBondContact O-CA 3.32Å; D287-V308 WeakPolarHBondContact O-CG2 3.39Å; F306-V308 HydrophobicContact CE1-CB 4.36Å; V308-D310 HydrophobicContact CG1-CB 4.43Å; V308-D310 HydrophobicContact CG2-CB 3.85Å; V308-D310 PolarHBondContact O-N 2.86Å; V308-L315 HydrophobicContact CG1-CD1 3.77Å; V308-L315 HydrophobicContact CG1-CG 4.1Å
309R98.4Very high97.9Very high113 Ų11341.2 Ų41.243%0.42619%0.194SC..  trans-71-18.1179.8-167.2177176.4-173.3-1.8112.7W130 H284 R285 D287W130-R309 HydrophobicContact CD2-CB 3.94Å; W130-R309 HydrophobicContact CD2-CG 3.91Å; W130-R309 HydrophobicContact CE3-CB 4.16Å; W130-R309 HydrophobicContact CE3-CG 4.48Å; W130-R309 HydrophobicContact CG-CG 3.97Å; W130-R309 HydrophobicContact CH2-CB 4.15Å; W130-R309 HydrophobicContact CZ2-CB 3.91Å; W130-R309 HydrophobicContact CZ3-CB 4.26Å; H284-R309 PolarHBondContact O-NH1 3.4Å; R285-R309 PolarHBondContact O-NH1 2.59Å; D287-R309 PolarHBondContact O-N 2.97Å
310D97.9Very high97.8Very high28 Ų2841.6 Ų41.615%0.1520%0.196CC..  trans-56.8141.3179.5178.9-99.8000112.7D135 V308 T312 H313 L314D135-D310 PolarHBondContact N-O 3.49Å; V308-D310 HydrophobicContact CG1-CB 4.43Å; V308-D310 HydrophobicContact CG2-CB 3.85Å; V308-D310 PolarHBondContact O-N 2.86Å; D310-T312 VanDerWaalsContact CG-N 3.31Å; D310-T312 VanDerWaalsContact CG-OG1 3.32Å; D310-T312 WeakPolarHBondContact OD1-CA 3.48Å; D310-T312 PolarHBondContact OD1-N 2.98Å; D310-T312 PolarHBondContact OD1-OG1 3.1Å; D310-T312 WeakPolarHBondContact OD2-CB 3.16Å; D310-T312 PolarHBondContact OD2-N 3.34Å; D310-T312 PolarHBondContact OD2-OG1 3.09Å; D310-H313 PolarHBondContact OD1-N 3.07Å; D310-L314 HydrophobicContact CB-CB 3.95Å; D310-L314 HydrophobicContact CB-CD2 4.22Å; D310-L314 WeakPolarHBondContact OD1-CB 3.48Å; D310-L314 PolarHBondContact OD1-N 2.91Å
311K95.4Very high97.7Very high110 Ų11044.1 Ų44.148%0.47822%0.219SC..  trans-12311.5177-58.3177.3-63-170.90111.9E132E132-K311 VanDerWaalsContact CB-NZ 3.32Å; E132-K311 VanDerWaalsContact O-CD 3.25Å; E132-K311 WeakPolarHBondContact O-CD 3.08Å; E132-K311 IonicContact OE2-NZ 2.84Å; E132-K311 PolarHBondContact OE2-NZ 3.39Å
312T96.2Very high97.3Very high77 Ų7749.9 Ų49.947%0.47224%0.235SC..SBendtrans-103.621.3-175.673.70000112.5D310 L314 R317D310-T312 VanDerWaalsContact CG-N 3.31Å; D310-T312 VanDerWaalsContact CG-OG1 3.32Å; D310-T312 WeakPolarHBondContact OD1-CA 3.48Å; D310-T312 PolarHBondContact OD1-N 2.98Å; D310-T312 PolarHBondContact OD1-OG1 3.1Å; D310-T312 WeakPolarHBondContact OD2-CB 3.16Å; D310-T312 PolarHBondContact OD2-N 3.34Å; D310-T312 PolarHBondContact OD2-OG1 3.09Å; T312-L314 PolarHBondContact O-N 2.92Å; T312-R317 PolarHBondContact O-NE 3.39Å; T312-R317 VanDerWaalsContact O-NE 3.16Å; T312-R317 PolarHBondContact OG1-NH2 2.73Å
313H96.4Very high97.1Very high105 Ų10547 Ų4749%0.48623%0.226SC..  trans57.134.8-175.3-53.4-82.8000113D310 L315 Q316 R317D310-H313 PolarHBondContact OD1-N 3.07Å; H313-L315 VanDerWaalsContact C-N 3.28Å; H313-L315 PolarHBondContact O-N 2.74Å; H313-Q316 HydrophobicContact CB-CB 4.26Å; H313-Q316 PolarHBondContact O-N 3.13Å; H313-Q316 VanDerWaalsContact O-N 3.08Å; H313-R317 WeakPolarHBondContact O-CG 3.32Å; H313-R317 PolarHBondContact O-N 3.39Å
314L98.3Very high96.7Very high4 Ų451.8 Ų51.82%0.02126%0.259CS..Hα-helixtrans-56.1-41.2-177.8179.863.4000112.5L152 Y155 R156 W259 D310 T312 Q316 R317 C318L152-L314 HydrophobicContact CD2-CD2 4.06Å; L152-L314 HydrophobicContact CD2-CG 4.11Å; L152-L314 HydrophobicContact CG-CG 4.41Å; Y155-L314 HydrophobicContact CD1-CD1 3.73Å; Y155-L314 HydrophobicContact CE1-CD1 4.01Å; R156-L314 HydrophobicContact CB-CD1 4.5Å; R156-L314 HydrophobicContact CB-CD2 4.48Å; W259-L314 HydrophobicContact CH2-CD2 3.77Å; W259-L314 HydrophobicContact CZ3-CD2 3.75Å; D310-L314 HydrophobicContact CB-CB 3.95Å; D310-L314 HydrophobicContact CB-CD2 4.22Å; D310-L314 WeakPolarHBondContact OD1-CB 3.48Å; D310-L314 PolarHBondContact OD1-N 2.91Å; T312-L314 PolarHBondContact O-N 2.92Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-Q316 PolarHBondContact O-N 3.27Å; L314-R317 PolarHBondContact O-N 2.94Å; L314-C318 WeakPolarHBondContact O-CB 3.3Å; L314-C318 PolarHBondContact O-N 2.94Å
315L98.3Very high96.3Very high0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-54.8-49.6174.7-87.7167.6000111.9D135 L137 Y148 L152 F306 V308 H313 H319 K342D135-L315 HydrophobicContact CB-CD1 4.12Å; L137-L315 HydrophobicContact CD2-CD1 4.08Å; L137-L315 HydrophobicContact CD2-CD2 3.78Å; Y148-L315 HydrophobicContact CD1-CD2 4.03Å; Y148-L315 HydrophobicContact CE1-CD2 4.48Å; L152-L315 HydrophobicContact CD1-CD2 3.85Å; L152-L315 HydrophobicContact CD2-CD2 3.87Å; L152-L315 HydrophobicContact CD2-CG 3.94Å; L152-L315 HydrophobicContact CG-CD2 4.45Å; F306-L315 HydrophobicContact CD1-CD2 4.21Å; F306-L315 HydrophobicContact CE1-CD2 3.98Å; V308-L315 HydrophobicContact CG1-CD1 3.77Å; V308-L315 HydrophobicContact CG1-CG 4.1Å; H313-L315 VanDerWaalsContact C-N 3.28Å; H313-L315 PolarHBondContact O-N 2.74Å; L315-H319 PolarHBondContact O-N 2.77Å; L315-H319 PolarHBondContact O-ND1 2.84Å; L315-K342 HydrophobicContact CB-CB 4.07Å; L315-K342 HydrophobicContact CB-CG 4.26Å
316Q97.4Very high95.9Very high73 Ų7360.7 Ų60.734%0.34130%0.296SS..Hα-helixtrans-67-46.3179.9-169.6176.4-0.300111.3H313 L314 C318 H319 S320 D341 K342H313-Q316 HydrophobicContact CB-CB 4.26Å; H313-Q316 PolarHBondContact O-N 3.13Å; H313-Q316 VanDerWaalsContact O-N 3.08Å; L314-Q316 VanDerWaalsContact C-N 3.34Å; L314-Q316 PolarHBondContact O-N 3.27Å; Q316-C318 VanDerWaalsContact C-N 3.28Å; Q316-C318 PolarHBondContact O-N 3Å; Q316-H319 PolarHBondContact O-N 3.27Å; Q316-S320 WeakPolarHBondContact O-CA 3.49Å; Q316-S320 WeakPolarHBondContact O-CB 3.06Å; Q316-S320 PolarHBondContact O-N 3.49Å; Q316-D341 HydrophobicContact CG-CB 4.22Å; Q316-K342 HydrophobicContact CB-CG 4.17Å
317R97.8Very high95.6Very high118 Ų11861.8 Ų61.845%0.44530%0.3SS..Hα-helixtrans-60.5-40.5178.7-67-169.8-67.4129.3-4.6111.8Y155 K162 T312 H313 L314Y155-R317 HydrophobicContact CE1-CB 3.97Å; Y155-R317 PolarHBondContact OH-O 3.42Å; K162-R317 PolarHBondContact NZ-O 3.42Å; T312-R317 PolarHBondContact O-NE 3.39Å; T312-R317 VanDerWaalsContact O-NE 3.16Å; T312-R317 PolarHBondContact OG1-NH2 2.73Å; H313-R317 WeakPolarHBondContact O-CG 3.32Å; H313-R317 PolarHBondContact O-N 3.39Å; L314-R317 PolarHBondContact O-N 2.94Å
318C98.3Very high95.3Very high7 Ų764.9 Ų64.95%0.04732%0.315CS..Hα-helixtrans-65.1-46.7178.7-171.40000112.4N151 Y155 K162 L314 Q316N151-C318 PolarHBondContact ND2-SG 2.89Å; Y155-C318 WeakPolarHBondContact CB-SG 3.47Å; Y155-C318 HydrophobicContact CD1-CB 3.6Å; Y155-C318 HydrophobicContact CD2-CB 4.48Å; Y155-C318 HydrophobicContact CE1-CB 4.04Å; Y155-C318 HydrophobicContact CG-CB 3.86Å; K162-C318 WeakPolarHBondContact CD-O 3.37Å; K162-C318 VanDerWaalsContact CE-O 3.26Å; K162-C318 WeakPolarHBondContact CE-O 3.21Å; L314-C318 WeakPolarHBondContact O-CB 3.3Å; L314-C318 PolarHBondContact O-N 2.94Å; Q316-C318 VanDerWaalsContact C-N 3.28Å; Q316-C318 PolarHBondContact O-N 3Å
319H98.1Very high95.1Very high24 Ų2472.1 Ų72.111%0.11135%0.349CS..Hα-helixtrans-105.3-14.4-168.3-58.2142.4000115.6Y148 N151 L152 L315 Q316 A321 D341 K342Y148-H319 AromaticContact CD1-CE1 3.36Å; Y148-H319 WeakPolarHBondContact CD1-CE1 3.18Å; Y148-H319 AromaticContact CE1-CE1 3.43Å; Y148-H319 VanDerWaalsContact CE1-CE1 3.43Å; Y148-H319 WeakPolarHBondContact CE1-CE1 3.41Å; Y148-H319 AromaticContact CE1-ND1 3.66Å; N151-H319 PolarHBondContact ND2-CD2 2.84Å; N151-H319 PolarHBondContact ND2-NE2 3.15Å; L152-H319 VanDerWaalsContact CD1-CE1 3.47Å; L152-H319 WeakPolarHBondContact CD1-CE1 3.37Å; L315-H319 PolarHBondContact O-N 2.77Å; L315-H319 PolarHBondContact O-ND1 2.84Å; Q316-H319 PolarHBondContact O-N 3.27Å; H319-A321 PolarHBondContact O-N 3.12Å; H319-D341 CarbonylContact C-O 3.56Å; H319-K342 PolarHBondContact ND1-O 3.4Å
320S96.1Very high94.9Very high12 Ų1273.6 Ų73.68%0.08437%0.365CS..  trans-61131.7-174.8171.40000111.7K162 Q316 R322 D341K162-S320 PolarHBondContact NZ-O 3.14Å; Q316-S320 WeakPolarHBondContact O-CA 3.49Å; Q316-S320 WeakPolarHBondContact O-CB 3.06Å; Q316-S320 PolarHBondContact O-N 3.49Å; S320-R322 WeakPolarHBondContact OG-CG 3.36Å; S320-R322 PolarHBondContact OG-N 3.18Å; S320-D341 WeakPolarHBondContact CA-O 3.36Å; S320-D341 WeakPolarHBondContact CA-OD1 2.95Å; S320-D341 WeakPolarHBondContact CB-OD2 3.45Å; S320-D341 PolarHBondContact N-O 3.07Å; S320-D341 PolarHBondContact OG-OD2 2.98Å
321A94.3Very high94.8Very high83 Ų8373.8 Ų73.869%0.68637%0.365SS*.  trans-109.7-6170.100000112.1H319 A323 D341H319-A321 PolarHBondContact O-N 3.12Å; A321-A323 VanDerWaalsContact C-N 3.25Å; A321-A323 PolarHBondContact O-N 2.87Å; A321-D341 PolarHBondContact N-OD1 3.28Å; A321-D341 VanDerWaalsContact N-OD1 3.14Å
322R90.7Very high94.8Very high207 Ų20777.9 Ų77.978%0.78138%0.383SS*.  trans51.242.4178.4-56.1-175.2178178.9-1.7113.1S320 S324 D341S320-R322 WeakPolarHBondContact OG-CG 3.36Å; S320-R322 PolarHBondContact OG-N 3.18Å; R322-S324 PolarHBondContact O-N 2.84Å; R322-S324 VanDerWaalsContact O-N 3.11Å; R322-D341 PolarHBondContact N-OD1 2.89Å
323A92.3Very high94.9Very high25 Ų2576 Ų7621%0.20737%0.368CS..  trans-63.4113-179.500000111.1A321 Y325 L326 F327A321-A323 VanDerWaalsContact C-N 3.25Å; A321-A323 PolarHBondContact O-N 2.87Å; A323-Y325 HydrophobicContact CB-CD1 4.05Å; A323-Y325 HydrophobicContact CB-CE1 3.71Å; A323-Y325 PolarHBondContact O-N 2.81Å; A323-L326 PolarHBondContact O-N 3.11Å; A323-L326 VanDerWaalsContact O-N 3.1Å; A323-F327 HydrophobicContact CB-CD2 4.3Å; A323-F327 PolarHBondContact O-N 3Å
324S91.6Very high94.9Very high101 Ų10175.4 Ų75.471%0.70637%0.368SS*.THydrogen-bonded Turntrans-63.5-24.7-17354.80000114.3R322 L326R322-S324 PolarHBondContact O-N 2.84Å; R322-S324 VanDerWaalsContact O-N 3.11Å; S324-L326 VanDerWaalsContact C-N 3.28Å; S324-L326 PolarHBondContact O-N 3.47Å
325Y89.5Confident94.8Very high163 Ų16377.3 Ų77.364%0.63938%0.378SS*.THydrogen-bonded Turntrans-75.9-14.1178.373.5-96.7000113.7A323 Q328A323-Y325 HydrophobicContact CB-CD1 4.05Å; A323-Y325 HydrophobicContact CB-CE1 3.71Å; A323-Y325 PolarHBondContact O-N 2.81Å; Y325-Q328 PolarHBondContact O-NE2 3.13Å
326L91.1Very high94.6Very high23 Ų2381 Ų8112%0.1240%0.403CS..THydrogen-bonded Turntrans-123.2-36.6-172.2-164.859.6000113.3Y105 T106 A323 S324 Q328 K331Y105-L326 HydrophobicContact CD2-CD1 3.5Å; Y105-L326 VanDerWaalsContact CD2-CD1 3.5Å; Y105-L326 HydrophobicContact CD2-CD2 4.45Å; Y105-L326 HydrophobicContact CD2-CG 4.17Å; Y105-L326 HydrophobicContact CE2-CD1 3.66Å; Y105-L326 HydrophobicContact CG-CD1 4.06Å; Y105-L326 HydrophobicContact CG-CD2 4.26Å; Y105-L326 HydrophobicContact CG-CG 4.48Å; T106-L326 WeakPolarHBondContact CG2-O 3.15Å; A323-L326 PolarHBondContact O-N 3.11Å; A323-L326 VanDerWaalsContact O-N 3.1Å; S324-L326 VanDerWaalsContact C-N 3.28Å; S324-L326 PolarHBondContact O-N 3.47Å; L326-Q328 VanDerWaalsContact C-OE1 3.22Å; L326-Q328 PolarHBondContact O-OE1 2.98Å; L326-K331 PolarHBondContact O-NZ 3.28Å; L326-K331 VanDerWaalsContact O-NZ 3.17Å
327F92.1Very high94.6Very high23 Ų2381.6 Ų81.610%0.10140%0.403CS..  trans-114.857.7-175.8-52.3-64.8000111.1T106 A323 Q329 D338 D341T106-F327 HydrophobicContact CG2-CD1 4.42Å; T106-F327 HydrophobicContact CG2-CE1 4.45Å; A323-F327 HydrophobicContact CB-CD2 4.3Å; A323-F327 PolarHBondContact O-N 3Å; F327-Q329 PolarHBondContact O-N 3.24Å; F327-Q329 PolarHBondContact O-NE2 3.22Å; F327-D338 HydrophobicContact CD1-CB 4.5Å; F327-D341 HydrophobicContact CD2-CB 4.49Å; F327-D341 HydrophobicContact CE2-CB 4.24Å; F327-D341 VanDerWaalsContact CE2-OD1 3.3Å; F327-D341 WeakPolarHBondContact CE2-OD1 3.25Å; F327-D341 HydrophobicContact CZ-CB 4.26Å
328Q93.5Very high94.5Very high66 Ų6676.7 Ų76.731%0.30839%0.386SS..  trans-58.2132.7173.6-60.384.7-8.100110.2Y325 L326 D330 K331Y325-Q328 PolarHBondContact O-NE2 3.13Å; L326-Q328 VanDerWaalsContact C-OE1 3.22Å; L326-Q328 PolarHBondContact O-OE1 2.98Å; Q328-D330 WeakPolarHBondContact CB-OD1 3.39Å; Q328-K331 HydrophobicContact CB-CG 3.97Å
329Q93.4Very high94.4Very high152 Ų15276.6 Ų76.671%0.7139%0.385SS*.THydrogen-bonded Turntrans-88.1-7.2-175.6-61.2-58.7-67.300113.4F327 L335F327-Q329 PolarHBondContact O-N 3.24Å; F327-Q329 PolarHBondContact O-NE2 3.22Å; Q329-L335 HydrophobicContact CB-CD1 4.45Å; Q329-L335 WeakPolarHBondContact O-CD1 3.33Å
330D93.9Very high94.4Very high145 Ų14575.8 Ų75.878%0.77538%0.383SS*.THydrogen-bonded Turntrans-108.717.8-175.159.3-29.9000112.8Q328Q328-D330 WeakPolarHBondContact CB-OD1 3.39Å
331K95.6Very high94.4Very high31 Ų3175.9 Ų75.914%0.13538%0.383CS..  trans-65.1153.2174.4-56.7-175.5-172.4176.60111.2T106 E108 L326 Q328 Y333 L335 D338T106-K331 VanDerWaalsContact CG2-NZ 3.27Å; E108-K331 IonicContact OE2-NZ 2.86Å; L326-K331 PolarHBondContact O-NZ 3.28Å; L326-K331 VanDerWaalsContact O-NZ 3.17Å; Q328-K331 HydrophobicContact CB-CG 3.97Å; K331-Y333 HydrophobicContact CB-CD1 4.02Å; K331-Y333 HydrophobicContact CB-CE1 3.84Å; K331-Y333 HydrophobicContact CD-CD1 4.47Å; K331-Y333 HydrophobicContact CD-CE1 3.48Å; K331-Y333 VanDerWaalsContact CD-CE1 3.48Å; K331-Y333 VanDerWaalsContact CD-OH 3.25Å; K331-Y333 WeakPolarHBondContact CD-OH 3.49Å; K331-Y333 HydrophobicContact CG-CE1 4.26Å; K331-Y333 PolarHBondContact NZ-OH 3.22Å; K331-Y333 PolarHBondContact O-N 3.3Å; K331-L335 HydrophobicContact CB-CD2 3.75Å; K331-L335 HydrophobicContact CD-CD2 3.74Å; K331-L335 HydrophobicContact CG-CD2 3.92Å; K331-D338 IonicContact NZ-OD2 3.89Å; K331-D338 PolarHBondContact NZ-OD2 3.47Å
332F96.6Very high94.5Very high196 Ų19673.1 Ų73.186%0.8636%0.355SS*.SBendtrans-81.815.3-175.562.2-90.6000114.5
333Y97.3Very high94.8Very high39 Ų3963.6 Ų63.615%0.15332%0.32CS..SBendtrans-137.3168.5179.567.5-96.3000111Y107 E108 K331 L335 D338Y107-Y333 HydrophobicContact CD1-CD2 4.06Å; Y107-Y333 HydrophobicContact CD1-CE2 4.25Å; Y107-Y333 HydrophobicContact CD1-CG 4.37Å; Y107-Y333 HydrophobicContact CG-CD2 4.47Å; Y107-Y333 HydrophobicContact CG-CE2 4.37Å; E108-Y333 HydrophobicContact CB-CE1 3.94Å; K331-Y333 HydrophobicContact CB-CD1 4.02Å; K331-Y333 HydrophobicContact CB-CE1 3.84Å; K331-Y333 HydrophobicContact CD-CD1 4.47Å; K331-Y333 HydrophobicContact CD-CE1 3.48Å; K331-Y333 VanDerWaalsContact CD-CE1 3.48Å; K331-Y333 VanDerWaalsContact CD-OH 3.25Å; K331-Y333 WeakPolarHBondContact CD-OH 3.49Å; K331-Y333 HydrophobicContact CG-CE1 4.26Å; K331-Y333 PolarHBondContact NZ-OH 3.22Å; K331-Y333 PolarHBondContact O-N 3.3Å; Y333-L335 HydrophobicContact CE2-CD2 4.24Å; Y333-L335 PolarHBondContact O-N 2.82Å; Y333-L335 VanDerWaalsContact O-N 3.12Å; Y333-D338 WeakPolarHBondContact CE2-OD1 3.18Å; Y333-D338 PolarHBondContact OH-OD1 3.44Å; Y333-D338 PolarHBondContact OH-OD2 2.86Å
334D97.2Very high95.1Very high92 Ų9266.2 Ų66.249%0.49233%0.333SS..  trans-65.5109.5178.1178.73.4000111.7S336 Y337D334-S336 PolarHBondContact O-N 2.98Å; D334-S336 VanDerWaalsContact O-N 3.16Å; D334-S336 WeakPolarHBondContact OD1-CB 3.42Å; D334-S336 PolarHBondContact OD1-N 3.32Å; D334-S336 PolarHBondContact OD1-OG 3.36Å; D334-S336 PolarHBondContact OD2-OG 3.14Å; D334-Y337 HydrophobicContact CB-CD2 3.94Å; D334-Y337 HydrophobicContact CB-CE2 4.06Å; D334-Y337 WeakPolarHBondContact O-CD2 3.2Å; D334-Y337 PolarHBondContact O-N 3.24Å; D334-Y337 WeakPolarHBondContact OD2-CE2 2.98Å
335L94.9Very high95.4Very high43 Ų4363.9 Ų63.923%0.22531%0.311CS..G310 helixtrans-67.1-12.2-178.1-64.3177.4000113.8Q329 K331 Y333 Y337 D338Q329-L335 HydrophobicContact CB-CD1 4.45Å; Q329-L335 WeakPolarHBondContact O-CD1 3.33Å; K331-L335 HydrophobicContact CB-CD2 3.75Å; K331-L335 HydrophobicContact CD-CD2 3.74Å; K331-L335 HydrophobicContact CG-CD2 3.92Å; Y333-L335 HydrophobicContact CE2-CD2 4.24Å; Y333-L335 PolarHBondContact O-N 2.82Å; Y333-L335 VanDerWaalsContact O-N 3.12Å; L335-Y337 PolarHBondContact O-N 3.17Å; L335-Y337 VanDerWaalsContact O-N 3.11Å; L335-D338 WeakPolarHBondContact O-CB 3.5Å; L335-D338 PolarHBondContact O-N 3.21Å
336S94.4Very high95.7Very high77 Ų7759.5 Ų59.554%0.53830%0.304SS..G310 helixtrans-62-17.4175.175.50000113.2D334D334-S336 PolarHBondContact O-N 2.98Å; D334-S336 VanDerWaalsContact O-N 3.16Å; D334-S336 WeakPolarHBondContact OD1-CB 3.42Å; D334-S336 PolarHBondContact OD1-N 3.32Å; D334-S336 PolarHBondContact OD1-OG 3.36Å; D334-S336 PolarHBondContact OD2-OG 3.14Å
337Y97Very high95.9Very high86 Ų8662.5 Ų62.534%0.33733%0.327SS..G310 helixtrans-83.6-11.2173.6-67.8-85.9000114.1Y107 T114 L115 D334 L335 T339Y107-Y337 HydrophobicContact CD2-CD1 4.45Å; Y107-Y337 HydrophobicContact CD2-CG 4.32Å; T114-Y337 HydrophobicContact CG2-CD1 4.35Å; T114-Y337 VanDerWaalsContact CG2-O 3.27Å; T114-Y337 WeakPolarHBondContact CG2-O 3.42Å; L115-Y337 HydrophobicContact CD2-CD1 3.95Å; L115-Y337 HydrophobicContact CD2-CE1 3.6Å; D334-Y337 HydrophobicContact CB-CD2 3.94Å; D334-Y337 HydrophobicContact CB-CE2 4.06Å; D334-Y337 WeakPolarHBondContact O-CD2 3.2Å; D334-Y337 PolarHBondContact O-N 3.24Å; D334-Y337 WeakPolarHBondContact OD2-CE2 2.98Å; L335-Y337 PolarHBondContact O-N 3.17Å; L335-Y337 VanDerWaalsContact O-N 3.11Å; Y337-T339 PolarHBondContact O-N 3.14Å
338D97.4Very high96.2Very high15 Ų1562 Ų628%0.0832%0.324CS..  trans-79.2110.7173-72.8-2.2000109.2T106 Y107 F327 K331 Y333 L335T106-D338 WeakPolarHBondContact CA-OD1 3.39Å; T106-D338 VanDerWaalsContact CB-OD1 3.31Å; T106-D338 WeakPolarHBondContact CB-OD1 3.27Å; T106-D338 HydrophobicContact CG2-CB 4.35Å; T106-D338 WeakPolarHBondContact CG2-OD2 3.35Å; Y107-D338 PolarHBondContact N-OD1 2.87Å; F327-D338 HydrophobicContact CD1-CB 4.5Å; K331-D338 IonicContact NZ-OD2 3.89Å; K331-D338 PolarHBondContact NZ-OD2 3.47Å; Y333-D338 WeakPolarHBondContact CE2-OD1 3.18Å; Y333-D338 PolarHBondContact OH-OD1 3.44Å; Y333-D338 PolarHBondContact OH-OD2 2.86Å; L335-D338 WeakPolarHBondContact O-CB 3.5Å; L335-D338 PolarHBondContact O-N 3.21Å
339T96.5Very high96.4Very high6 Ų664 Ų644%0.03733%0.332CS..  trans-101.3-6-171.558.20000114Y105 Y337 D341 K342 R348Y105-T339 PolarHBondContact O-N 2.8Å; Y105-T339 VanDerWaalsContact O-N 3.14Å; Y337-T339 PolarHBondContact O-N 3.14Å; T339-D341 VanDerWaalsContact C-N 3.31Å; T339-D341 PolarHBondContact O-N 3.46Å; T339-K342 VanDerWaalsContact O-CB 3.29Å; T339-K342 WeakPolarHBondContact O-CB 3.47Å; T339-K342 PolarHBondContact O-N 3.08Å; T339-R348 PolarHBondContact OG1-NH2 2.72Å; T339-R348 VanDerWaalsContact OG1-NH2 3.14Å
340G96.4Very high96.6Very high6 Ų656.8 Ų56.86%0.06230%0.298CS..G310 helixtrans-58.2-40.2-173.500000113.6Y105 K342 S343Y105-G340 PolarHBondContact O-N 3.44Å; G340-K342 PolarHBondContact O-N 3.34Å; G340-K342 VanDerWaalsContact O-N 3.14Å; G340-S343 PolarHBondContact O-N 3.37Å
341D95.8Very high96.8Very high15 Ų1550.8 Ų50.88%0.0827%0.266CS..G310 helixtrans-71.9-4.6179.9-110.4-1.9000113.8Q316 H319 S320 A321 R322 F327 T339Q316-D341 HydrophobicContact CG-CB 4.22Å; H319-D341 CarbonylContact C-O 3.56Å; S320-D341 WeakPolarHBondContact CA-O 3.36Å; S320-D341 WeakPolarHBondContact CA-OD1 2.95Å; S320-D341 WeakPolarHBondContact CB-OD2 3.45Å; S320-D341 PolarHBondContact N-O 3.07Å; S320-D341 PolarHBondContact OG-OD2 2.98Å; A321-D341 PolarHBondContact N-OD1 3.28Å; A321-D341 VanDerWaalsContact N-OD1 3.14Å; R322-D341 PolarHBondContact N-OD1 2.89Å; F327-D341 HydrophobicContact CD2-CB 4.49Å; F327-D341 HydrophobicContact CE2-CB 4.24Å; F327-D341 VanDerWaalsContact CE2-OD1 3.3Å; F327-D341 WeakPolarHBondContact CE2-OD1 3.25Å; F327-D341 HydrophobicContact CZ-CB 4.26Å; T339-D341 VanDerWaalsContact C-N 3.31Å; T339-D341 PolarHBondContact O-N 3.46Å
342K97.7Very high96.9Very high24 Ų2449.3 Ų49.310%0.10426%0.26CS..G310 helixtrans-83.4-14.1168.6-60.6-175.4-178.8-170.60112.6D135 L137 L315 Q316 H319 T339 G340D135-K342 VanDerWaalsContact CG-NZ 3.28Å; D135-K342 IonicContact OD1-NZ 3.14Å; D135-K342 PolarHBondContact OD1-NZ 3.38Å; D135-K342 WeakPolarHBondContact OD2-CE 3.43Å; D135-K342 IonicContact OD2-NZ 2.7Å; D135-K342 PolarHBondContact OD2-NZ 2.91Å; L137-K342 HydrophobicContact CD2-CB 3.99Å; L137-K342 WeakPolarHBondContact CD2-O 3.43Å; L315-K342 HydrophobicContact CB-CB 4.07Å; L315-K342 HydrophobicContact CB-CG 4.26Å; Q316-K342 HydrophobicContact CB-CG 4.17Å; H319-K342 PolarHBondContact ND1-O 3.4Å; T339-K342 VanDerWaalsContact O-CB 3.29Å; T339-K342 WeakPolarHBondContact O-CB 3.47Å; T339-K342 PolarHBondContact O-N 3.08Å; G340-K342 PolarHBondContact O-N 3.34Å; G340-K342 VanDerWaalsContact O-N 3.14Å
343S97.4Very high97Very high8 Ų840.7 Ų40.76%0.05622%0.222CC..SBendtrans-115.1143.6-168.7161.60000111.2Y148 G340 Q345Y148-S343 VanDerWaalsContact OH-CA 3.29Å; Y148-S343 WeakPolarHBondContact OH-CA 3.47Å; Y148-S343 PolarHBondContact OH-OG 3.34Å; G340-S343 PolarHBondContact O-N 3.37Å; S343-Q345 WeakPolarHBondContact OG-CA 3.15Å; S343-Q345 WeakPolarHBondContact OG-CB 3.33Å; S343-Q345 PolarHBondContact OG-N 3.26Å; S343-Q345 PolarHBondContact OG-O 2.99Å
344V97.2Very high97.1Very high79 Ų7939.2 Ų39.248%0.47922%0.217SC..SBendtrans-74.3-14.8167.7-500000112.5M144 Y148M144-V344 HydrophobicContact CE-CG2 4.07Å; Y148-V344 HydrophobicContact CE2-CG1 4.25Å; Y148-V344 HydrophobicContact CE2-CG2 3.69Å; Y148-V344 WeakPolarHBondContact OH-CG2 3.49Å; Y148-V344 PolarHBondContact OH-N 2.74Å
345Q97.6Very high97.2Very high53 Ų5334.9 Ų34.925%0.24819%0.193CC..  trans-87.7138.8171.7-57.1177.1-11100110S343S343-Q345 WeakPolarHBondContact OG-CA 3.15Å; S343-Q345 WeakPolarHBondContact OG-CB 3.33Å; S343-Q345 PolarHBondContact OG-N 3.26Å; S343-Q345 PolarHBondContact OG-O 2.99Å
346C96.2Very high97.4Very high71 Ų7135.8 Ų35.848%0.4819%0.194SC..SBendtrans-77.8-71168.5177.90000110.9
347S96.6Very high97.6Very high86 Ų8634.2 Ų34.260%0.60118%0.179SC*.SBendtrans-79.8138.5172.957.30000110.9S103S103-S347 WeakPolarHBondContact OG-CA 3.49Å
348R97.6Very high97.6Very high11 Ų1130.1 Ų30.14%0.04216%0.163CC..  trans-147.1128.8-173.8-167.3167.464.787.4-2.9111S103 L104 E117 F138 T339S103-R348 CarbonylContact C-O 3.58Å; S103-R348 WeakPolarHBondContact CA-O 3.39Å; S103-R348 PolarHBondContact OG-N 3.03Å; L104-R348 HydrophobicContact CB-CB 4.34Å; L104-R348 PolarHBondContact N-O 3.48Å; L104-R348 PolarHBondContact O-NE 3.4Å; E117-R348 VanDerWaalsContact CD-NH1 3.34Å; E117-R348 IonicContact OE1-CZ 3.07Å; E117-R348 IonicContact OE1-NH1 3.44Å; E117-R348 PolarHBondContact OE1-NH1 2.9Å; E117-R348 VanDerWaalsContact OE1-NH1 3.14Å; E117-R348 IonicContact OE1-NH2 3.91Å; E117-R348 PolarHBondContact OE1-NH2 3.05Å; E117-R348 IonicContact OE2-CZ 3.4Å; E117-R348 IonicContact OE2-NH1 3.9Å; E117-R348 PolarHBondContact OE2-NH1 3.13Å; E117-R348 IonicContact OE2-NH2 3.67Å; F138-R348 PolarHBondContact O-NH1 3.1Å; T339-R348 PolarHBondContact OG1-NH2 2.72Å; T339-R348 VanDerWaalsContact OG1-NH2 3.14Å
349K97.4Very high97.7Very high109 Ų10930.6 Ų30.647%0.47416%0.163SC..  trans-71.1147.5176.7-76.8-163.3175-162.50110.8D98 D351D98-K349 IonicContact OD1-NZ 2.83Å; D98-K349 PolarHBondContact OD1-NZ 2.89Å; K349-D351 PolarHBondContact O-N 2.64Å
350P97.9Very high97.8Very high1 Ų137.1 Ų37.11%0.00619%0.191CC..  trans-78.161.8174.135.8-39.3000112.7T97 P102 L104 F113 A352 F353T97-P350 HydrophobicContact CG2-CG 3.61Å; P102-P350 HydrophobicContact CG-CG 3.53Å; L104-P350 VanDerWaalsContact CD1-CA 3.45Å; L104-P350 HydrophobicContact CD1-CB 3.78Å; L104-P350 HydrophobicContact CG-CB 3.92Å; F113-P350 HydrophobicContact CB-CB 3.59Å; F113-P350 HydrophobicContact CB-CG 4.39Å; F113-P350 HydrophobicContact CD1-CB 4.02Å; F113-P350 HydrophobicContact CD1-CG 4.25Å; F113-P350 HydrophobicContact CD2-CB 4.33Å; F113-P350 HydrophobicContact CD2-CG 4.23Å; F113-P350 HydrophobicContact CG-CB 3.72Å; F113-P350 HydrophobicContact CG-CG 4.03Å; P350-A352 PolarHBondContact O-N 2.86Å; P350-A352 VanDerWaalsContact O-N 3.1Å; P350-F353 WeakPolarHBondContact O-CB 3.47Å; P350-F353 PolarHBondContact O-N 2.81Å
351D98.2Very high97.9Very high18 Ų1839.1 Ų39.110%0.09621%0.207CC..Hα-helixtrans-64.5-17.5-176-75.8-42.2000113.7F138 Q302 C303 K349 F353 K354F138-D351 HydrophobicContact CD1-CB 4.49Å; Q302-D351 WeakPolarHBondContact O-CB 3.48Å; C303-D351 PolarHBondContact SG-O 3.03Å; K349-D351 PolarHBondContact O-N 2.64Å; D351-F353 VanDerWaalsContact C-N 3.28Å; D351-F353 PolarHBondContact O-N 2.96Å; D351-K354 WeakPolarHBondContact O-CE 3.33Å; D351-K354 VanDerWaalsContact O-CG 3.28Å; D351-K354 WeakPolarHBondContact O-CG 3.38Å; D351-K354 VanDerWaalsContact OD1-CE 3.31Å; D351-K354 WeakPolarHBondContact OD1-CE 3.33Å; D351-K354 IonicContact OD1-NZ 2.81Å; D351-K354 PolarHBondContact OD1-NZ 3.5Å
352A98.6Very high98Very high1 Ų139.8 Ų39.81%0.00821%0.211CC..Hα-helixtrans-65.9-28.3172.300000112.9E117 F138 P350 K354 F355 W356E117-A352 HydrophobicContact CB-CB 3.78Å; E117-A352 HydrophobicContact CG-CB 3.95Å; F138-A352 HydrophobicContact CD1-CB 4.44Å; F138-A352 HydrophobicContact CD2-CB 3.65Å; F138-A352 HydrophobicContact CE1-CB 4.34Å; F138-A352 HydrophobicContact CE2-CB 3.5Å; F138-A352 HydrophobicContact CG-CB 4.13Å; F138-A352 HydrophobicContact CZ-CB 3.89Å; P350-A352 PolarHBondContact O-N 2.86Å; P350-A352 VanDerWaalsContact O-N 3.1Å; A352-K354 PolarHBondContact O-N 3.27Å; A352-F355 PolarHBondContact O-N 2.9Å; A352-W356 WeakPolarHBondContact O-CB 3.33Å; A352-W356 PolarHBondContact O-N 2.71Å
353F98.8Very high98Very high14 Ų1440 Ų406%0.06122%0.219CC..Hα-helixtrans-63.3-44.9-173.1172.5-129.6000112.9A93 I96 T97 F113 M116 P350 D351 F355 W356 L357A93-F353 HydrophobicContact CB-CD1 3.71Å; A93-F353 HydrophobicContact CB-CE1 3.58Å; A93-F353 HydrophobicContact CB-CG 4.37Å; A93-F353 HydrophobicContact CB-CZ 4.13Å; I96-F353 HydrophobicContact CB-CE1 4Å; I96-F353 HydrophobicContact CD1-CE1 4.46Å; I96-F353 HydrophobicContact CD1-CZ 4.38Å; I96-F353 HydrophobicContact CG2-CE1 3.84Å; I96-F353 HydrophobicContact CG2-CZ 4.31Å; T97-F353 WeakPolarHBondContact OG1-CD1 3.39Å; F113-F353 HydrophobicContact CD1-CB 3.92Å; F113-F353 HydrophobicContact CD1-CD1 4.35Å; F113-F353 HydrophobicContact CD1-CD2 4.4Å; F113-F353 AromaticContact CD1-CG 3.96Å; F113-F353 HydrophobicContact CD1-CG 3.96Å; F113-F353 HydrophobicContact CE1-CB 4.16Å; F113-F353 AromaticContact CE1-CD1 3.73Å; F113-F353 HydrophobicContact CE1-CD1 3.73Å; F113-F353 HydrophobicContact CE1-CD2 4.22Å; F113-F353 HydrophobicContact CE1-CE1 4.12Å; F113-F353 AromaticContact CE1-CG 3.76Å; F113-F353 HydrophobicContact CE1-CG 3.76Å; M116-F353 HydrophobicContact CE-CD2 4.11Å; M116-F353 HydrophobicContact CE-CE2 3.93Å; M116-F353 HydrophobicContact SD-CD2 3.29Å; M116-F353 WeakPolarHBondContact SD-CD2 3.42Å; M116-F353 HydrophobicContact SD-CE2 3.74Å; M116-F353 HydrophobicContact SD-CG 4.22Å; P350-F353 WeakPolarHBondContact O-CB 3.47Å; P350-F353 PolarHBondContact O-N 2.81Å; D351-F353 VanDerWaalsContact C-N 3.28Å; D351-F353 PolarHBondContact O-N 2.96Å; F353-F355 PolarHBondContact O-N 2.84Å; F353-W356 HydrophobicContact CD2-CE3 4.17Å; F353-W356 HydrophobicContact CE2-CE3 4.11Å; F353-W356 HydrophobicContact CE2-CZ3 4.38Å; F353-W356 WeakPolarHBondContact O-CB 3.36Å; F353-W356 PolarHBondContact O-N 3.14Å; F353-W356 VanDerWaalsContact O-N 3.14Å; F353-L357 HydrophobicContact CE2-CB 4.3Å; F353-L357 HydrophobicContact CZ-CD2 4.42Å; F353-L357 PolarHBondContact O-N 3.16Å
354K98.4Very high98.1Very high9 Ų942.1 Ų42.14%0.03923%0.232CC..Hα-helixtrans-65.6-26.4178.662.6-176.9154.9-163.40113.9S90 A93 C300 L301 Q302 D351 A352 M358S90-K354 WeakPolarHBondContact OG-CB 3.26Å; S90-K354 PolarHBondContact OG-O 3.26Å; A93-K354 HydrophobicContact CB-CB 3.65Å; C300-K354 HydrophobicContact CB-CD 3.92Å; C300-K354 VanDerWaalsContact O-CD 3.3Å; C300-K354 WeakPolarHBondContact O-CD 3.2Å; C300-K354 WeakPolarHBondContact O-CE 3.46Å; C300-K354 PolarHBondContact O-NZ 2.8Å; L301-K354 PolarHBondContact O-NZ 3.34Å; Q302-K354 WeakPolarHBondContact O-CE 3.23Å; Q302-K354 PolarHBondContact O-NZ 3.17Å; D351-K354 WeakPolarHBondContact O-CE 3.33Å; D351-K354 VanDerWaalsContact O-CG 3.28Å; D351-K354 WeakPolarHBondContact O-CG 3.38Å; D351-K354 VanDerWaalsContact OD1-CE 3.31Å; D351-K354 WeakPolarHBondContact OD1-CE 3.33Å; D351-K354 IonicContact OD1-NZ 2.81Å; D351-K354 PolarHBondContact OD1-NZ 3.5Å; A352-K354 PolarHBondContact O-N 3.27Å; K354-M358 WeakPolarHBondContact O-CB 3.49Å
355F98.7Very high98.2Very high0 Ų042.1 Ų42.10%024%0.236CC..Hα-helixtrans-81.8-39.1171-177.9-138000111.5V120 L124 M272 P293 L297 A299 A352 F353 L357 M358 W359V120-F355 HydrophobicContact CG1-CD1 3.59Å; V120-F355 HydrophobicContact CG1-CE1 3.9Å; L124-F355 HydrophobicContact CD1-CE1 4.33Å; L124-F355 HydrophobicContact CD2-CE1 4.03Å; L124-F355 HydrophobicContact CG-CE1 4.44Å; M272-F355 HydrophobicContact CE-CZ 4.18Å; P293-F355 HydrophobicContact CB-CB 4.46Å; P293-F355 HydrophobicContact CB-CD1 3.9Å; P293-F355 HydrophobicContact CB-CD2 3.85Å; P293-F355 HydrophobicContact CB-CE1 4.06Å; P293-F355 HydrophobicContact CB-CE2 4.02Å; P293-F355 HydrophobicContact CB-CG 3.81Å; P293-F355 HydrophobicContact CB-CZ 4.12Å; P293-F355 HydrophobicContact CG-CD1 3.67Å; P293-F355 HydrophobicContact CG-CD2 4.48Å; P293-F355 HydrophobicContact CG-CE1 3.66Å; P293-F355 HydrophobicContact CG-CE2 4.48Å; P293-F355 HydrophobicContact CG-CG 4.11Å; P293-F355 HydrophobicContact CG-CZ 4.09Å; L297-F355 HydrophobicContact CD1-CE2 3.82Å; L297-F355 HydrophobicContact CD1-CZ 3.83Å; A299-F355 HydrophobicContact CB-CB 4.36Å; A352-F355 PolarHBondContact O-N 2.9Å; F353-F355 PolarHBondContact O-N 2.84Å; F355-L357 PolarHBondContact O-N 3.13Å; F355-M358 HydrophobicContact CD2-CE 3.4Å; F355-M358 HydrophobicContact CD2-SD 4.42Å; F355-M358 HydrophobicContact CE2-CE 3.49Å; F355-M358 VanDerWaalsContact CE2-CE 3.49Å; F355-M358 PolarHBondContact O-N 3.16Å; F355-W359 HydrophobicContact CD1-CE3 4.18Å; F355-W359 HydrophobicContact CD1-CZ3 4.43Å; F355-W359 AromaticContact CE1-CE3 3.42Å; F355-W359 HydrophobicContact CE1-CE3 3.42Å; F355-W359 VanDerWaalsContact CE1-CE3 3.42Å; F355-W359 AromaticContact CE1-CZ3 3.38Å; F355-W359 HydrophobicContact CE1-CZ3 3.38Å; F355-W359 HydrophobicContact CE2-CD2 4.46Å; F355-W359 AromaticContact CE2-CE3 3.91Å; F355-W359 HydrophobicContact CE2-CE3 3.91Å; F355-W359 HydrophobicContact CE2-CZ3 4.44Å; F355-W359 HydrophobicContact CZ-CD2 4.11Å; F355-W359 AromaticContact CZ-CE3 3.25Å; F355-W359 HydrophobicContact CZ-CE3 3.25Å; F355-W359 HydrophobicContact CZ-CH2 4.29Å; F355-W359 AromaticContact CZ-CZ3 3.38Å; F355-W359 HydrophobicContact CZ-CZ3 3.38Å; F355-W359 VanDerWaalsContact O-CB 3.31Å; F355-W359 WeakPolarHBondContact O-CB 3.22Å; F355-W359 PolarHBondContact O-N 3.1Å
356W98.9Very high98.2Very high63 Ų6342.6 Ų42.624%0.23924%0.238CC..Hα-helixtrans-57.1-48.4174.5-179.594.2000112.1M116 V120 A352 F353 W359 K360M116-W356 HydrophobicContact CB-CB 4.48Å; M116-W356 HydrophobicContact CB-CD2 4.49Å; M116-W356 HydrophobicContact CB-CG 4.13Å; M116-W356 HydrophobicContact CE-CD2 4.31Å; M116-W356 HydrophobicContact CE-CE3 3.9Å; M116-W356 HydrophobicContact CE-CH2 3.84Å; M116-W356 HydrophobicContact CE-CZ2 4.19Å; M116-W356 HydrophobicContact CE-CZ3 3.68Å; M116-W356 HydrophobicContact CG-CD2 3.98Å; M116-W356 HydrophobicContact CG-CE3 4.44Å; M116-W356 HydrophobicContact CG-CG 4.14Å; M116-W356 HydrophobicContact SD-CD2 4.27Å; M116-W356 HydrophobicContact SD-CE3 4.15Å; V120-W356 HydrophobicContact CG2-CB 3.61Å; V120-W356 HydrophobicContact CG2-CG 4.16Å; A352-W356 WeakPolarHBondContact O-CB 3.33Å; A352-W356 PolarHBondContact O-N 2.71Å; F353-W356 HydrophobicContact CD2-CE3 4.17Å; F353-W356 HydrophobicContact CE2-CE3 4.11Å; F353-W356 HydrophobicContact CE2-CZ3 4.38Å; F353-W356 WeakPolarHBondContact O-CB 3.36Å; F353-W356 PolarHBondContact O-N 3.14Å; F353-W356 VanDerWaalsContact O-N 3.14Å; W356-W359 PolarHBondContact O-N 3.33Å; W356-K360 HydrophobicContact CD2-CG 4.04Å; W356-K360 HydrophobicContact CE3-CG 4.19Å; W356-K360 HydrophobicContact CH2-CG 3.91Å; W356-K360 HydrophobicContact CZ2-CD 4.22Å; W356-K360 HydrophobicContact CZ2-CG 3.78Å; W356-K360 HydrophobicContact CZ3-CG 4.11Å; W356-K360 WeakPolarHBondContact O-CB 3.46Å; W356-K360 WeakPolarHBondContact O-CG 3.47Å; W356-K360 PolarHBondContact O-N 3.27Å
357L98.8Very high98.3Very high43 Ų4339.3 Ų39.323%0.22522%0.215CC..Hα-helixtrans-66.7-43.5-178-17762.6000111.2A93 F353 F355 K360 A361A93-L357 HydrophobicContact CB-CB 4.21Å; A93-L357 HydrophobicContact CB-CD2 3.85Å; F353-L357 HydrophobicContact CE2-CB 4.3Å; F353-L357 HydrophobicContact CZ-CD2 4.42Å; F353-L357 PolarHBondContact O-N 3.16Å; F355-L357 PolarHBondContact O-N 3.13Å; L357-K360 WeakPolarHBondContact O-CB 3.45Å; L357-K360 PolarHBondContact O-N 2.82Å; L357-A361 WeakPolarHBondContact O-CB 3.44Å; L357-A361 PolarHBondContact O-N 3Å
358M98.3Very high98.4Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-58.6-46.9173.2178.7-172.1105.300111.7E87 L297 A299 K354 F355 K360 A361 L362 L367E87-M358 HydrophobicContact CB-SD 4.5Å; E87-M358 HydrophobicContact CG-CB 4.46Å; E87-M358 HydrophobicContact CG-CG 3.63Å; E87-M358 HydrophobicContact CG-SD 3.54Å; E87-M358 VanDerWaalsContact CG-SD 3.54Å; L297-M358 HydrophobicContact CB-CE 3.89Å; L297-M358 WeakPolarHBondContact O-CE 3.26Å; L297-M358 VanDerWaalsContact O-SD 3.36Å; A299-M358 HydrophobicContact CB-SD 4.43Å; K354-M358 WeakPolarHBondContact O-CB 3.49Å; F355-M358 HydrophobicContact CD2-CE 3.4Å; F355-M358 HydrophobicContact CD2-SD 4.42Å; F355-M358 HydrophobicContact CE2-CE 3.49Å; F355-M358 VanDerWaalsContact CE2-CE 3.49Å; F355-M358 PolarHBondContact O-N 3.16Å; M358-K360 VanDerWaalsContact C-N 3.32Å; M358-K360 PolarHBondContact O-N 3.31Å; M358-A361 PolarHBondContact O-N 2.98Å; M358-L362 HydrophobicContact CG-CD1 3.72Å; M358-L362 HydrophobicContact CG-CG 4.44Å; M358-L362 WeakPolarHBondContact O-CB 3.34Å; M358-L362 WeakPolarHBondContact O-CG 3.31Å; M358-L362 PolarHBondContact O-N 3.36Å; M358-L367 HydrophobicContact CE-CD2 3.73Å
359W98.7Very high98.4Very high25 Ų2542 Ų4210%0.09522%0.219CC..Hα-helixtrans-65.6-35.7178-156.7-19.7000111.7K123 L124 M272 F355 W356 G363 T364 L367K123-W359 HydrophobicContact CB-CH2 4.06Å; K123-W359 HydrophobicContact CB-CZ3 4.27Å; K123-W359 HydrophobicContact CD-CZ2 4.47Å; K123-W359 HydrophobicContact CG-CH2 3.37Å; K123-W359 HydrophobicContact CG-CZ2 3.49Å; K123-W359 VanDerWaalsContact CG-CZ2 3.49Å; K123-W359 HydrophobicContact CG-CZ3 3.99Å; L124-W359 HydrophobicContact CD2-CH2 4.03Å; L124-W359 HydrophobicContact CD2-CZ3 3.86Å; L124-W359 HydrophobicContact CG-CZ3 4.22Å; M272-W359 HydrophobicContact CE-CH2 3.38Å; M272-W359 HydrophobicContact CE-CZ2 3.56Å; M272-W359 HydrophobicContact CE-CZ3 4.01Å; M272-W359 HydrophobicContact SD-CH2 4.28Å; M272-W359 HydrophobicContact SD-CZ2 3.98Å; F355-W359 HydrophobicContact CD1-CE3 4.18Å; F355-W359 HydrophobicContact CD1-CZ3 4.43Å; F355-W359 AromaticContact CE1-CE3 3.42Å; F355-W359 HydrophobicContact CE1-CE3 3.42Å; F355-W359 VanDerWaalsContact CE1-CE3 3.42Å; F355-W359 AromaticContact CE1-CZ3 3.38Å; F355-W359 HydrophobicContact CE1-CZ3 3.38Å; F355-W359 HydrophobicContact CE2-CD2 4.46Å; F355-W359 AromaticContact CE2-CE3 3.91Å; F355-W359 HydrophobicContact CE2-CE3 3.91Å; F355-W359 HydrophobicContact CE2-CZ3 4.44Å; F355-W359 HydrophobicContact CZ-CD2 4.11Å; F355-W359 AromaticContact CZ-CE3 3.25Å; F355-W359 HydrophobicContact CZ-CE3 3.25Å; F355-W359 HydrophobicContact CZ-CH2 4.29Å; F355-W359 AromaticContact CZ-CZ3 3.38Å; F355-W359 HydrophobicContact CZ-CZ3 3.38Å; F355-W359 VanDerWaalsContact O-CB 3.31Å; F355-W359 WeakPolarHBondContact O-CB 3.22Å; F355-W359 PolarHBondContact O-N 3.1Å; W356-W359 PolarHBondContact O-N 3.33Å; W359-G363 VanDerWaalsContact O-CA 3.27Å; W359-G363 WeakPolarHBondContact O-CA 3.43Å; W359-G363 PolarHBondContact O-N 2.95Å; W359-T364 PolarHBondContact NE1-OG1 3.41Å; W359-L367 HydrophobicContact CB-CD1 4.46Å; W359-L367 HydrophobicContact CD2-CD1 4.06Å; W359-L367 HydrophobicContact CG-CD1 3.83Å
360K98.6Very high98.5Very high144 Ų14438.9 Ų38.963%0.62621%0.205SC*.Hα-helixtrans-64-39.7172.7-79.4-70.3-174.1178.80112.9W356 L357 M358W356-K360 HydrophobicContact CD2-CG 4.04Å; W356-K360 HydrophobicContact CE3-CG 4.19Å; W356-K360 HydrophobicContact CH2-CG 3.91Å; W356-K360 HydrophobicContact CZ2-CD 4.22Å; W356-K360 HydrophobicContact CZ2-CG 3.78Å; W356-K360 HydrophobicContact CZ3-CG 4.11Å; W356-K360 WeakPolarHBondContact O-CB 3.46Å; W356-K360 WeakPolarHBondContact O-CG 3.47Å; W356-K360 PolarHBondContact O-N 3.27Å; L357-K360 WeakPolarHBondContact O-CB 3.45Å; L357-K360 PolarHBondContact O-N 2.82Å; M358-K360 VanDerWaalsContact C-N 3.32Å; M358-K360 PolarHBondContact O-N 3.31Å
361A98.6Very high98.5Very high47 Ų4738.9 Ų38.939%0.38820%0.204SC..Hα-helixtrans-74.6-40-178.600000112.9Y89 L357 M358Y89-A361 HydrophobicContact CD1-CB 3.69Å; Y89-A361 HydrophobicContact CD2-CB 3.39Å; Y89-A361 HydrophobicContact CE1-CB 3.8Å; Y89-A361 HydrophobicContact CE2-CB 3.53Å; Y89-A361 HydrophobicContact CG-CB 3.51Å; L357-A361 WeakPolarHBondContact O-CB 3.44Å; L357-A361 PolarHBondContact O-N 3Å; M358-A361 PolarHBondContact O-N 2.98Å
362L98.2Very high98.5Very high30 Ų3039.8 Ų39.816%0.15721%0.209CC..Hα-helixtrans-92.1-35.9-174.6-59.2179.4000112.6Y89 M358 E366 L367 R370Y89-L362 HydrophobicContact CD2-CD2 4.13Å; Y89-L362 HydrophobicContact CD2-CG 4.33Å; Y89-L362 HydrophobicContact CE2-CD2 3.8Å; Y89-L362 HydrophobicContact CE2-CG 4.44Å; M358-L362 HydrophobicContact CG-CD1 3.72Å; M358-L362 HydrophobicContact CG-CG 4.44Å; M358-L362 WeakPolarHBondContact O-CB 3.34Å; M358-L362 WeakPolarHBondContact O-CG 3.31Å; M358-L362 PolarHBondContact O-N 3.36Å; L362-E366 HydrophobicContact CB-CB 3.99Å; L362-E366 HydrophobicContact CB-CG 3.91Å; L362-E366 HydrophobicContact CD2-CG 3.92Å; L362-E366 HydrophobicContact CG-CG 4.34Å; L362-E366 WeakPolarHBondContact O-CB 3.49Å; L362-L367 HydrophobicContact CB-CG 4.49Å; L362-L367 HydrophobicContact CD1-CD2 3.81Å; L362-R370 VanDerWaalsContact CD2-NH2 3.29Å
363G98.5Very high98.5Very high28 Ų2845 Ų4529%0.28923%0.229SC..Hα-helixtrans71.1169-167.200000112.9W359 S365 L367W359-G363 VanDerWaalsContact O-CA 3.27Å; W359-G363 WeakPolarHBondContact O-CA 3.43Å; W359-G363 PolarHBondContact O-N 2.95Å; G363-S365 VanDerWaalsContact C-N 3.31Å; G363-S365 PolarHBondContact O-N 3.25Å; G363-L367 WeakPolarHBondContact O-CG 3.44Å; G363-L367 PolarHBondContact O-N 3.45Å
364T98.5Very high98.5Very high52 Ų5244.5 Ų44.532%0.31923%0.227SC..Hα-helixtrans-64.8-36-179.7-61.70000112.1W359 E366 L367 E368W359-T364 PolarHBondContact NE1-OG1 3.41Å; T364-E366 PolarHBondContact O-N 3.11Å; T364-L367 PolarHBondContact O-N 2.95Å; T364-E368 WeakPolarHBondContact O-CB 3.38Å; T364-E368 PolarHBondContact O-N 3.48Å
365S98.4Very high98.5Very high80 Ų8044.2 Ų44.256%0.55923%0.226SC*.Hα-helixtrans-64.9-37.5-176.7-55.40000113.4G363 Q369G363-S365 VanDerWaalsContact C-N 3.31Å; G363-S365 PolarHBondContact O-N 3.25Å; S365-Q369 WeakPolarHBondContact O-CG 3.3Å; S365-Q369 PolarHBondContact O-N 2.95Å; S365-Q369 VanDerWaalsContact O-N 3.1Å; S365-Q369 PolarHBondContact O-NE2 2.98Å
366E98.3Very high98.4Very high63 Ų6347 Ų4729%0.29424%0.243SC..Hα-helixtrans-74.3-38.2174.9176.155.6-154.600111.3L362 T364 E368 Q369 R370L362-E366 HydrophobicContact CB-CB 3.99Å; L362-E366 HydrophobicContact CB-CG 3.91Å; L362-E366 HydrophobicContact CD2-CG 3.92Å; L362-E366 HydrophobicContact CG-CG 4.34Å; L362-E366 WeakPolarHBondContact O-CB 3.49Å; T364-E366 PolarHBondContact O-N 3.11Å; E366-E368 VanDerWaalsContact C-N 3.3Å; E366-E368 PolarHBondContact O-N 2.81Å; E366-Q369 PolarHBondContact O-N 3.33Å; E366-R370 VanDerWaalsContact O-CG 3.31Å; E366-R370 WeakPolarHBondContact O-CG 3.42Å; E366-R370 PolarHBondContact O-N 3.35Å; E366-R370 WeakPolarHBondContact OE1-CG 3.37Å; E366-R370 IonicContact OE1-CZ 3.68Å; E366-R370 IonicContact OE1-NE 2.88Å; E366-R370 PolarHBondContact OE1-NE 2.64Å; E366-R370 IonicContact OE1-NH2 3.72Å
367L98.4Very high98.4Very high1 Ų144.8 Ų44.81%0.00524%0.236CC..Hα-helixtrans-59.9-41.4173.3-66175.5000111.7L297 M358 W359 L362 G363 T364 R370 V371L297-L367 HydrophobicContact CD2-CD2 4.49Å; M358-L367 HydrophobicContact CE-CD2 3.73Å; W359-L367 HydrophobicContact CB-CD1 4.46Å; W359-L367 HydrophobicContact CD2-CD1 4.06Å; W359-L367 HydrophobicContact CG-CD1 3.83Å; L362-L367 HydrophobicContact CB-CG 4.49Å; L362-L367 HydrophobicContact CD1-CD2 3.81Å; G363-L367 WeakPolarHBondContact O-CG 3.44Å; G363-L367 PolarHBondContact O-N 3.45Å; T364-L367 PolarHBondContact O-N 2.95Å; L367-R370 PolarHBondContact O-N 2.79Å; L367-V371 WeakPolarHBondContact O-CG2 3.14Å; L367-V371 PolarHBondContact O-N 3.24Å
368E98.7Very high98.4Very high36 Ų3642.7 Ų42.717%0.16823%0.225CC..Hα-helixtrans-57.2-53.4171.6169.5163.6-144.700111.5M272 N274 T364 E366 R370 V371 D372M272-E368 VanDerWaalsContact O-CB 3.31Å; M272-E368 WeakPolarHBondContact O-CB 3.37Å; N274-E368 VanDerWaalsContact CB-OE1 3.27Å; N274-E368 WeakPolarHBondContact CB-OE1 3.47Å; N274-E368 PolarHBondContact N-OE1 3.29Å; N274-E368 PolarHBondContact ND2-OE1 2.98Å; N274-E368 PolarHBondContact ND2-OE2 2.84Å; T364-E368 WeakPolarHBondContact O-CB 3.38Å; T364-E368 PolarHBondContact O-N 3.48Å; E366-E368 VanDerWaalsContact C-N 3.3Å; E366-E368 PolarHBondContact O-N 2.81Å; E368-R370 VanDerWaalsContact C-N 3.27Å; E368-R370 PolarHBondContact O-N 3.45Å; E368-V371 PolarHBondContact O-N 2.91Å; E368-D372 PolarHBondContact O-N 2.89Å
369Q98.4Very high98.4Very high119 Ų11948.4 Ų48.456%0.55625%0.246SC*.Hα-helixtrans-59-37.2-179.5-74.7174.750.100112.8S365 E366 D372 R373S365-Q369 WeakPolarHBondContact O-CG 3.3Å; S365-Q369 PolarHBondContact O-N 2.95Å; S365-Q369 VanDerWaalsContact O-N 3.1Å; S365-Q369 PolarHBondContact O-NE2 2.98Å; E366-Q369 PolarHBondContact O-N 3.33Å; Q369-D372 PolarHBondContact O-N 3.15Å; Q369-R373 VanDerWaalsContact O-CB 3.27Å; Q369-R373 WeakPolarHBondContact O-CB 2.98Å; Q369-R373 PolarHBondContact O-N 2.79Å
370R98Very high98.4Very high43 Ų4349.2 Ų49.216%0.16225%0.25CC..Hα-helixtrans-66.1-43.5177.3-71.1178.9179.7-159.23.3112.3E87 L362 E366 L367 E368 R373 A374 P462E87-R370 IonicContact OE2-CZ 2.64Å; E87-R370 IonicContact OE2-NH1 3.6Å; E87-R370 PolarHBondContact OE2-NH1 2.9Å; E87-R370 IonicContact OE2-NH2 3.11Å; E87-R370 PolarHBondContact OE2-NH2 3.33Å; L362-R370 VanDerWaalsContact CD2-NH2 3.29Å; E366-R370 VanDerWaalsContact O-CG 3.31Å; E366-R370 WeakPolarHBondContact O-CG 3.42Å; E366-R370 PolarHBondContact O-N 3.35Å; E366-R370 WeakPolarHBondContact OE1-CG 3.37Å; E366-R370 IonicContact OE1-CZ 3.68Å; E366-R370 IonicContact OE1-NE 2.88Å; E366-R370 PolarHBondContact OE1-NE 2.64Å; E366-R370 IonicContact OE1-NH2 3.72Å; L367-R370 PolarHBondContact O-N 2.79Å; E368-R370 VanDerWaalsContact C-N 3.27Å; E368-R370 PolarHBondContact O-N 3.45Å; R370-R373 PolarHBondContact O-N 3.44Å; R370-A374 PolarHBondContact O-N 2.85Å; R370-P462 HydrophobicContact CG-CB 4.11Å; R370-P462 HydrophobicContact CG-CG 4.47Å
371V98.6Very high98.4Very high1 Ų142.4 Ų42.41%0.00622%0.22CC..Hα-helixtrans-61.7-48.6174.3174.60000110.1A269 M296 L297 L367 E368 R373 A374 L375A269-V371 HydrophobicContact CB-CG2 3.98Å; M296-V371 HydrophobicContact CG-CG2 4.03Å; L297-V371 HydrophobicContact CD2-CG2 3.92Å; L367-V371 WeakPolarHBondContact O-CG2 3.14Å; L367-V371 PolarHBondContact O-N 3.24Å; E368-V371 PolarHBondContact O-N 2.91Å; V371-R373 VanDerWaalsContact C-N 3.3Å; V371-R373 PolarHBondContact O-N 3.02Å; V371-A374 PolarHBondContact O-N 3Å; V371-L375 HydrophobicContact CG1-CD1 4.21Å; V371-L375 VanDerWaalsContact O-CD1 3.29Å; V371-L375 WeakPolarHBondContact O-CD1 3.39Å; V371-L375 PolarHBondContact O-N 3.1Å; V371-L375 VanDerWaalsContact O-N 3.07Å
372D98.6Very high98.4Very high37 Ų3740.2 Ų40.220%0.19820%0.202CC..Hα-helixtrans-59.9-40.3179.3-76.75.8000112.4S273 H276 E368 Q369 L375 T376S273-D372 WeakPolarHBondContact CB-OD1 3.29Å; S273-D372 PolarHBondContact OG-OD1 3.33Å; H276-D372 IonicContact CD2-OD1 3.87Å; H276-D372 PolarHBondContact CD2-OD1 3.18Å; H276-D372 VanDerWaalsContact CD2-OD1 3.31Å; E368-D372 PolarHBondContact O-N 2.89Å; Q369-D372 PolarHBondContact O-N 3.15Å; D372-L375 PolarHBondContact O-N 2.82Å; D372-T376 WeakPolarHBondContact O-CB 3.08Å; D372-T376 PolarHBondContact O-N 2.73Å; D372-T376 PolarHBondContact O-OG1 3.14Å
373R98.1Very high98.4Very high109 Ų10942.8 Ų42.841%0.41122%0.216SC..Hα-helixtrans-64.8-45.7176.1179.9175.9173.7173.9-5.1111.5Q369 R370 V371 L375 T376 M377 P462 V464Q369-R373 VanDerWaalsContact O-CB 3.27Å; Q369-R373 WeakPolarHBondContact O-CB 2.98Å; Q369-R373 PolarHBondContact O-N 2.79Å; R370-R373 PolarHBondContact O-N 3.44Å; V371-R373 VanDerWaalsContact C-N 3.3Å; V371-R373 PolarHBondContact O-N 3.02Å; R373-L375 VanDerWaalsContact C-N 3.3Å; R373-L375 PolarHBondContact O-N 3.1Å; R373-T376 WeakPolarHBondContact O-CB 3.3Å; R373-T376 PolarHBondContact O-N 2.72Å; R373-M377 HydrophobicContact CG-CG 4.42Å; R373-M377 WeakPolarHBondContact O-CG 3.4Å; R373-M377 PolarHBondContact O-N 3.14Å; R373-P462 PolarHBondContact NH1-O 3.32Å; R373-P462 PolarHBondContact NH2-O 3.32Å; R373-V464 PolarHBondContact NH2-O 3.03Å
374A98.3Very high98.4Very high4 Ų443 Ų433%0.03321%0.209CC..Hα-helixtrans-58.3-44.1178.100000111.3M296 R370 V371 M377 A378 V459M296-A374 HydrophobicContact CE-CB 4.31Å; M296-A374 HydrophobicContact SD-CB 3.93Å; R370-A374 PolarHBondContact O-N 2.85Å; V371-A374 PolarHBondContact O-N 3Å; A374-M377 PolarHBondContact O-N 3.43Å; A374-A378 PolarHBondContact O-N 3Å; A374-V459 HydrophobicContact CB-CG1 4.22Å
375L98.4Very high98.4Very high3 Ų340.5 Ų40.52%0.01619%0.194CC..Hα-helixtrans-70.4-33.2178.7-8661.8000112H276 M296 V371 D372 R373 R379 Y399 A400H276-L375 HydrophobicContact CB-CD2 4.01Å; H276-L375 VanDerWaalsContact CG-CD2 3.45Å; M296-L375 HydrophobicContact CE-CD1 4.17Å; V371-L375 HydrophobicContact CG1-CD1 4.21Å; V371-L375 VanDerWaalsContact O-CD1 3.29Å; V371-L375 WeakPolarHBondContact O-CD1 3.39Å; V371-L375 PolarHBondContact O-N 3.1Å; V371-L375 VanDerWaalsContact O-N 3.07Å; D372-L375 PolarHBondContact O-N 2.82Å; R373-L375 VanDerWaalsContact C-N 3.3Å; R373-L375 PolarHBondContact O-N 3.1Å; L375-R379 WeakPolarHBondContact O-CG 3.5Å; L375-R379 PolarHBondContact O-N 3.28Å; L375-R379 VanDerWaalsContact O-N 3.12Å; L375-Y399 HydrophobicContact CD1-CD2 3.77Å; L375-Y399 HydrophobicContact CD1-CE2 3.62Å; L375-Y399 HydrophobicContact CD2-CD2 4Å; L375-Y399 HydrophobicContact CD2-CE2 4.23Å; L375-Y399 HydrophobicContact CG-CD2 4.07Å; L375-Y399 HydrophobicContact CG-CE2 4.35Å; L375-A400 HydrophobicContact CD1-CB 4.2Å
376T98Very high98.4Very high58 Ų5841.1 Ų41.136%0.35620%0.195SC..Hα-helixtrans-66-42173.1-60.40000111.6D372 R373 R379 Y380D372-T376 WeakPolarHBondContact O-CB 3.08Å; D372-T376 PolarHBondContact O-N 2.73Å; D372-T376 PolarHBondContact O-OG1 3.14Å; R373-T376 WeakPolarHBondContact O-CB 3.3Å; R373-T376 PolarHBondContact O-N 2.72Å; T376-R379 PolarHBondContact O-N 3.02Å; T376-Y380 PolarHBondContact O-N 3.36Å
377M98.3Very high98.4Very high17 Ų1744.7 Ų44.78%0.08421%0.209CC..Hα-helixtrans-69.3-35.8176.3-70.8-58.595.200112.3R373 A374 R379 Y380 L381 V459 R466R373-M377 HydrophobicContact CG-CG 4.42Å; R373-M377 WeakPolarHBondContact O-CG 3.4Å; R373-M377 PolarHBondContact O-N 3.14Å; A374-M377 PolarHBondContact O-N 3.43Å; M377-R379 VanDerWaalsContact C-N 3.34Å; M377-R379 PolarHBondContact O-N 3.14Å; M377-Y380 WeakPolarHBondContact O-CB 3.25Å; M377-Y380 PolarHBondContact O-N 3.36Å; M377-L381 PolarHBondContact O-N 3.35Å; M377-V459 HydrophobicContact CB-CG1 3.86Å; M377-R466 HydrophobicContact CE-CG 4.06Å; M377-R466 HydrophobicContact SD-CG 3.96Å
378A98.4Very high98.4Very high0 Ų047.6 Ų47.60%022%0.22CC..Hα-helixtrans-62.1-41.9173.600000111.8A374 L381 A382 V402 V459A374-A378 PolarHBondContact O-N 3Å; A378-L381 PolarHBondContact O-N 3.02Å; A378-A382 PolarHBondContact O-N 3.48Å; A378-V402 HydrophobicContact CB-CG2 3.86Å; A378-V402 WeakPolarHBondContact O-CG2 3.41Å; A378-V459 HydrophobicContact CB-CG2 3.99Å
379R98.3Very high98.3Very high120 Ų12052.6 Ų52.645%0.45324%0.243SC..Hα-helixtrans-65-44.8173.2-71.1172.2-175-174.9-2.1112.3L375 T376 M377 L381 A382 D383L375-R379 WeakPolarHBondContact O-CG 3.5Å; L375-R379 PolarHBondContact O-N 3.28Å; L375-R379 VanDerWaalsContact O-N 3.12Å; T376-R379 PolarHBondContact O-N 3.02Å; M377-R379 VanDerWaalsContact C-N 3.34Å; M377-R379 PolarHBondContact O-N 3.14Å; R379-L381 VanDerWaalsContact C-N 3.32Å; R379-L381 PolarHBondContact O-N 3.18Å; R379-A382 PolarHBondContact O-N 2.81Å; R379-A382 VanDerWaalsContact O-N 3.15Å; R379-D383 VanDerWaalsContact O-CG 3.3Å; R379-D383 PolarHBondContact O-N 2.91Å
380Y98.6Very high98.3Very high42 Ų4247.4 Ų47.417%0.16522%0.222CC..Hα-helixtrans-54.9-47.6174.8172.6-95.1000111.8T376 M377 A382 D383 E384 R466 M469 D470T376-Y380 PolarHBondContact O-N 3.36Å; M377-Y380 WeakPolarHBondContact O-CB 3.25Å; M377-Y380 PolarHBondContact O-N 3.36Å; Y380-A382 VanDerWaalsContact C-N 3.35Å; Y380-A382 PolarHBondContact O-N 2.83Å; Y380-D383 PolarHBondContact O-N 3.17Å; Y380-E384 HydrophobicContact CD1-CG 4.32Å; Y380-E384 HydrophobicContact CD2-CG 4.45Å; Y380-E384 HydrophobicContact CE1-CG 3.79Å; Y380-E384 HydrophobicContact CE2-CG 3.95Å; Y380-E384 WeakPolarHBondContact O-CG 3.34Å; Y380-E384 PolarHBondContact O-N 3.49Å; Y380-R466 HydrophobicContact CD1-CB 4.37Å; Y380-R466 HydrophobicContact CD1-CG 4.04Å; Y380-R466 HydrophobicContact CD2-CG 4.19Å; Y380-R466 HydrophobicContact CE1-CB 3.79Å; Y380-R466 HydrophobicContact CE1-CG 3.9Å; Y380-R466 HydrophobicContact CE2-CB 4.42Å; Y380-R466 HydrophobicContact CE2-CG 4.04Å; Y380-R466 HydrophobicContact CG-CG 4.19Å; Y380-M469 HydrophobicContact CD1-CB 4Å; Y380-M469 HydrophobicContact CD1-CG 4.25Å; Y380-M469 HydrophobicContact CE1-CB 3.95Å; Y380-D470 WeakPolarHBondContact CE1-OD1 3.41Å; Y380-D470 PolarHBondContact OH-OD1 2.82Å; Y380-D470 PolarHBondContact OH-OD2 3.33Å
381L98.6Very high98.3Very high1 Ų146.3 Ų46.31%0.00522%0.219CC..Hα-helixtrans-62.2-42177.8178.266.3000112M377 A378 R379 E384 I385 V402 M457 M469 L473M377-L381 PolarHBondContact O-N 3.35Å; A378-L381 PolarHBondContact O-N 3.02Å; R379-L381 VanDerWaalsContact C-N 3.32Å; R379-L381 PolarHBondContact O-N 3.18Å; L381-E384 PolarHBondContact O-N 3.09Å; L381-I385 HydrophobicContact CD1-CD1 4.37Å; L381-I385 HydrophobicContact CG-CD1 4.02Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.39Å; L381-I385 PolarHBondContact O-N 3.41Å; L381-V402 HydrophobicContact CD2-CB 4.03Å; L381-V402 HydrophobicContact CD2-CG1 4.16Å; L381-V402 HydrophobicContact CD2-CG2 4.13Å; L381-V402 HydrophobicContact CG-CG1 4.31Å; L381-M457 HydrophobicContact CD2-CB 3.98Å; L381-M457 HydrophobicContact CD2-CG 3.29Å; L381-M469 HydrophobicContact CB-SD 4.27Å; L381-M469 HydrophobicContact CD1-CB 4.21Å; L381-M469 HydrophobicContact CD2-SD 4.23Å; L381-L473 HydrophobicContact CD1-CD1 3.9Å; L381-L473 HydrophobicContact CD1-CD2 3.89Å; L381-L473 HydrophobicContact CD1-CG 3.8Å
382A98.6Very high98.3Very high1 Ų149.6 Ų49.61%0.00823%0.231CC..Hα-helixtrans-61.3-45.117600000111.6A378 R379 Y380 E384 I385 T386 L393 P397 V402A378-A382 PolarHBondContact O-N 3.48Å; R379-A382 PolarHBondContact O-N 2.81Å; R379-A382 VanDerWaalsContact O-N 3.15Å; Y380-A382 VanDerWaalsContact C-N 3.35Å; Y380-A382 PolarHBondContact O-N 2.83Å; A382-E384 PolarHBondContact O-N 3.37Å; A382-I385 WeakPolarHBondContact O-CB 3.47Å; A382-I385 PolarHBondContact O-N 2.64Å; A382-T386 WeakPolarHBondContact O-CG2 3.31Å; A382-T386 PolarHBondContact O-N 2.96Å; A382-L393 HydrophobicContact CB-CD1 4.15Å; A382-L393 HydrophobicContact CB-CD2 4.22Å; A382-P397 HydrophobicContact CB-CG 3.88Å; A382-V402 HydrophobicContact CB-CG1 4.3Å
383D98.5Very high98.3Very high83 Ų8349.1 Ų49.144%0.44423%0.228SC..Hα-helixtrans-59.7-44.8175.7-66.1-23.4000111.2R379 Y380 I385 T386 K387R379-D383 VanDerWaalsContact O-CG 3.3Å; R379-D383 PolarHBondContact O-N 2.91Å; Y380-D383 PolarHBondContact O-N 3.17Å; D383-I385 PolarHBondContact O-N 3.21Å; D383-T386 PolarHBondContact O-N 3.11Å; D383-T386 PolarHBondContact O-OG1 3.32Å; D383-K387 WeakPolarHBondContact O-CG 3.28Å
384E98.7Very high98.3Very high33 Ų3345.3 Ų45.315%0.15422%0.217CC..Hα-helixtrans-66.4-35.1178.1-71.6-53.3120.100113.1Y380 L381 A382 T386 K387 R388 L473Y380-E384 HydrophobicContact CD1-CG 4.32Å; Y380-E384 HydrophobicContact CD2-CG 4.45Å; Y380-E384 HydrophobicContact CE1-CG 3.79Å; Y380-E384 HydrophobicContact CE2-CG 3.95Å; Y380-E384 WeakPolarHBondContact O-CG 3.34Å; Y380-E384 PolarHBondContact O-N 3.49Å; L381-E384 PolarHBondContact O-N 3.09Å; A382-E384 PolarHBondContact O-N 3.37Å; E384-T386 VanDerWaalsContact C-N 3.3Å; E384-T386 PolarHBondContact O-N 3.14Å; E384-K387 PolarHBondContact O-N 3.35Å; E384-K387 IonicContact OE1-NZ 2.67Å; E384-K387 PolarHBondContact OE1-NZ 3.16Å; E384-R388 WeakPolarHBondContact O-CG 3.36Å; E384-L473 HydrophobicContact CB-CD1 3.86Å
385I98.6Very high98.3Very high0 Ų046.7 Ų46.70%022%0.223CC..Hα-helixtrans-58.5-43.8173.5-78.3162.9000110.7L381 A382 D383 K387 R388 F391 L393 V402 F404 L473L381-I385 HydrophobicContact CD1-CD1 4.37Å; L381-I385 HydrophobicContact CG-CD1 4.02Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.39Å; L381-I385 PolarHBondContact O-N 3.41Å; A382-I385 WeakPolarHBondContact O-CB 3.47Å; A382-I385 PolarHBondContact O-N 2.64Å; D383-I385 PolarHBondContact O-N 3.21Å; I385-K387 PolarHBondContact O-N 2.92Å; I385-R388 PolarHBondContact O-N 3.12Å; I385-F391 HydrophobicContact CB-CB 4.49Å; I385-F391 HydrophobicContact CG2-CB 3.85Å; I385-L393 HydrophobicContact CB-CD2 4.23Å; I385-L393 HydrophobicContact CB-CG 4.43Å; I385-L393 HydrophobicContact CD1-CD2 3.9Å; I385-L393 HydrophobicContact CG2-CD2 3.82Å; I385-L393 HydrophobicContact CG2-CG 3.71Å; I385-V402 HydrophobicContact CD1-CG1 3.74Å; I385-F404 HydrophobicContact CD1-CB 3.98Å; I385-F404 HydrophobicContact CD1-CD1 3.51Å; I385-F404 HydrophobicContact CD1-CD2 4.24Å; I385-F404 HydrophobicContact CD1-CE1 3.98Å; I385-F404 HydrophobicContact CD1-CG 3.65Å; I385-F404 HydrophobicContact CG2-CB 4.5Å; I385-L473 HydrophobicContact CD1-CD2 4.32Å; I385-L473 HydrophobicContact CG1-CD1 4.11Å; I385-L473 HydrophobicContact CG1-CD2 3.7Å
386T97.8Very high98.2Very high93 Ų9351.4 Ų51.457%0.57125%0.245SC*.Hα-helixtrans-66.8-18.1-178.667.30000113.9A382 D383 E384 L393A382-T386 WeakPolarHBondContact O-CG2 3.31Å; A382-T386 PolarHBondContact O-N 2.96Å; D383-T386 PolarHBondContact O-N 3.11Å; D383-T386 PolarHBondContact O-OG1 3.32Å; E384-T386 VanDerWaalsContact C-N 3.3Å; E384-T386 PolarHBondContact O-N 3.14Å; T386-L393 HydrophobicContact CG2-CD1 3.82Å
387K98.1Very high98.2Very high138 Ų13849.6 Ų49.660%0.623%0.234SC*.THydrogen-bonded Turntrans-91-10.4-179.4-62.6169.6-163.4169.10113.1D383 E384 I385D383-K387 WeakPolarHBondContact O-CG 3.28Å; E384-K387 PolarHBondContact O-N 3.35Å; E384-K387 IonicContact OE1-NZ 2.67Å; E384-K387 PolarHBondContact OE1-NZ 3.16Å; I385-K387 PolarHBondContact O-N 2.92Å
388R97.8Very high98.2Very high62 Ų6250.8 Ų50.823%0.23424%0.24CC..SBendtrans-111.1128.7-172.2-66.6-175.6-171.8-145.63.1111.6E384 I385 F391 L473 D474E384-R388 WeakPolarHBondContact O-CG 3.36Å; I385-R388 PolarHBondContact O-N 3.12Å; R388-F391 HydrophobicContact CB-CD2 3.82Å; R388-F391 HydrophobicContact CB-CE2 4.46Å; R388-F391 PolarHBondContact O-N 3.44Å; R388-L473 VanDerWaalsContact NH1-CB 3.31Å; R388-D474 IonicContact CZ-OD1 2.95Å; R388-D474 IonicContact NH1-OD1 3.56Å; R388-D474 PolarHBondContact NH1-OD1 2.85Å; R388-D474 IonicContact NH2-OD1 2.78Å
389E97.6Very high98.2Very high140 Ų14051 Ų5165%0.65424%0.24SC*.THydrogen-bonded Turntrans-62.7140.6173.7-162-162.5159.700111F391 R412E389-F391 VanDerWaalsContact C-N 3.3Å; E389-R412 WeakPolarHBondContact OE1-CD 3.42Å; E389-R412 IonicContact OE1-CZ 3.72Å; E389-R412 IonicContact OE1-NE 3.81Å; E389-R412 IonicContact OE1-NH1 2.79Å; E389-R412 PolarHBondContact OE1-NH1 2.72Å; E389-R412 IonicContact OE2-NH1 2.79Å; E389-R412 PolarHBondContact OE2-NH1 3.17Å; E389-R412 VanDerWaalsContact OE2-NH1 3.11Å
390G97.9Very high98.1Very high11 Ų1145.3 Ų45.311%0.11322%0.219CC..THydrogen-bonded Turntrans79.48-178.800000114.1Y406 I407G390-Y406 CarbonylContact O-C 3.47Å; G390-Y406 VanDerWaalsContact O-CA 3.32Å; G390-Y406 WeakPolarHBondContact O-CA 3.29Å; G390-Y406 VanDerWaalsContact O-CD2 3.3Å; G390-Y406 WeakPolarHBondContact O-CD2 3.13Å; G390-I407 WeakPolarHBondContact CA-O 3.5Å; G390-I407 PolarHBondContact O-N 3.26Å
391F98.7Very high98.1Very high20 Ų2043.4 Ų43.49%0.08821%0.212CC..EExtended strand (participates in β ladder)trans-117.5137.4167.6-65.7-95.9000110.4I385 R388 E389 F404 W405 Y406 L473 I476 H477I385-F391 HydrophobicContact CB-CB 4.49Å; I385-F391 HydrophobicContact CG2-CB 3.85Å; R388-F391 HydrophobicContact CB-CD2 3.82Å; R388-F391 HydrophobicContact CB-CE2 4.46Å; R388-F391 PolarHBondContact O-N 3.44Å; E389-F391 VanDerWaalsContact C-N 3.3Å; F391-F404 AromaticContact CD1-CD2 3.88Å; F391-F404 HydrophobicContact CD1-CD2 3.88Å; F391-F404 AromaticContact CD1-CE2 3.89Å; F391-F404 HydrophobicContact CD1-CE2 3.89Å; F391-F404 HydrophobicContact CE1-CD2 4.48Å; F391-F404 HydrophobicContact CE1-CE2 4.05Å; F391-W405 WeakPolarHBondContact CA-O 3.26Å; F391-Y406 HydrophobicContact CD1-CD2 4.1Å; F391-Y406 HydrophobicContact CD2-CD2 4.2Å; F391-Y406 AromaticContact CE1-CD2 3.66Å; F391-Y406 HydrophobicContact CE1-CD2 3.66Å; F391-Y406 HydrophobicContact CE1-CG 4.39Å; F391-Y406 AromaticContact CE2-CD2 3.76Å; F391-Y406 HydrophobicContact CE2-CD2 3.76Å; F391-Y406 AromaticContact CE2-CE2 3.9Å; F391-Y406 HydrophobicContact CE2-CE2 3.9Å; F391-Y406 HydrophobicContact CG-CD2 4.35Å; F391-Y406 AromaticContact CZ-CD2 3.46Å; F391-Y406 HydrophobicContact CZ-CD2 3.46Å; F391-Y406 VanDerWaalsContact CZ-CD2 3.46Å; F391-Y406 AromaticContact CZ-CE2 3.87Å; F391-Y406 HydrophobicContact CZ-CE2 3.87Å; F391-L473 HydrophobicContact CD1-CD2 3.94Å; F391-L473 HydrophobicContact CE1-CD2 3.77Å; F391-L473 HydrophobicContact CZ-CB 4.28Å; F391-L473 HydrophobicContact CZ-CD2 4.34Å; F391-L473 VanDerWaalsContact CZ-O 3.28Å; F391-L473 WeakPolarHBondContact CZ-O 3.45Å; F391-I476 HydrophobicContact CE1-CB 4.09Å; F391-I476 HydrophobicContact CE1-CG2 3.69Å; F391-I476 HydrophobicContact CZ-CB 4.22Å; F391-I476 HydrophobicContact CZ-CG2 3.98Å; F391-H477 HydrophobicContact CE2-CB 4.23Å; F391-H477 HydrophobicContact CZ-CB 4.16Å
392R98.6Very high98.2Very high69 Ų6943.4 Ų43.426%0.2621%0.212SC..EExtended strand (participates in β ladder)trans-137.1119.6179.9-175.7167.371.5-179.21.1110.6F404 W405 I407 D416 F420R392-F404 CarbonylContact O-C 2.93Å; R392-F404 WeakPolarHBondContact O-CA 3.5Å; R392-F404 WeakPolarHBondContact O-CB 3.29Å; R392-W405 HydrophobicContact CB-CE3 4.38Å; R392-W405 HydrophobicContact CG-CE3 4.3Å; R392-W405 PolarHBondContact N-O 3.23Å; R392-W405 PolarHBondContact O-N 3.5Å; R392-I407 HydrophobicContact CB-CD1 4.01Å; R392-D416 IonicContact CZ-OD1 3.38Å; R392-D416 VanDerWaalsContact NH1-CG 3.29Å; R392-D416 IonicContact NH1-OD1 3.14Å; R392-D416 PolarHBondContact NH1-OD1 3.23Å; R392-D416 IonicContact NH1-OD2 2.73Å; R392-D416 PolarHBondContact NH1-OD2 3.32Å; R392-D416 IonicContact NH2-OD1 2.72Å; R392-D416 PolarHBondContact NH2-OD1 3.08Å; R392-F420 VanDerWaalsContact NH2-CE1 3.34Å
393L98.6Very high98.2Very high28 Ų2843.5 Ų43.515%0.14721%0.212CC..EExtended strand (participates in β ladder)trans-61.5138.9171.6-71.3175.4000110.3A382 I385 T386 V402 F404A382-L393 HydrophobicContact CB-CD1 4.15Å; A382-L393 HydrophobicContact CB-CD2 4.22Å; I385-L393 HydrophobicContact CB-CD2 4.23Å; I385-L393 HydrophobicContact CB-CG 4.43Å; I385-L393 HydrophobicContact CD1-CD2 3.9Å; I385-L393 HydrophobicContact CG2-CD2 3.82Å; I385-L393 HydrophobicContact CG2-CG 3.71Å; T386-L393 HydrophobicContact CG2-CD1 3.82Å; L393-V402 HydrophobicContact CD2-CG1 3.93Å; L393-F404 HydrophobicContact CD2-CB 4.35Å
394V98.3Very high98.2Very high29 Ų2939.5 Ų39.518%0.17619%0.191CC..SBendtrans-68.5-42.8166176.80000109.2C403 W405 F454V394-C403 HydrophobicContact CB-CB 3.8Å; V394-C403 HydrophobicContact CG2-CB 3.78Å; V394-C403 PolarHBondContact N-O 3.35Å; V394-W405 HydrophobicContact CB-CH2 4.17Å; V394-W405 HydrophobicContact CB-CZ3 4.14Å; V394-W405 HydrophobicContact CG1-CH2 4.17Å; V394-W405 HydrophobicContact CG2-CD2 4.28Å; V394-W405 HydrophobicContact CG2-CE3 3.95Å; V394-W405 HydrophobicContact CG2-CH2 3.64Å; V394-W405 HydrophobicContact CG2-CZ2 3.92Å; V394-W405 HydrophobicContact CG2-CZ3 3.66Å; V394-F454 HydrophobicContact CG2-CB 3.94Å; V394-F454 HydrophobicContact CG2-CD1 3.95Å; V394-F454 HydrophobicContact CG2-CD2 3.85Å; V394-F454 HydrophobicContact CG2-CE1 4.37Å; V394-F454 HydrophobicContact CG2-CE2 4.27Å; V394-F454 HydrophobicContact CG2-CG 3.67Å
395M97.3Very high98.2Very high32 Ų3238.8 Ų38.816%0.15819%0.187CC..SBendtrans-168.1159.917757.1-175.7-68.800110.3R206 L240R206-M395 HydrophobicContact CB-CE 4.14Å; R206-M395 VanDerWaalsContact NH1-CE 3.27Å; L240-M395 HydrophobicContact CB-SD 4.28Å; L240-M395 HydrophobicContact CD1-SD 4.03Å; L240-M395 HydrophobicContact CD2-SD 3.91Å; L240-M395 HydrophobicContact CG-SD 4.29Å
396E97.8Very high98.2Very high103 Ų10338.9 Ų38.948%0.48119%0.187SC..  trans-57.3129.9170.2-70.6-56.2139.300111.1R206R206-E396 PolarHBondContact NH1-O 3.48Å; R206-E396 PolarHBondContact NH2-O 2.76Å
397P97.6Very high98.3Very high19 Ų1935.3 Ų35.312%0.12317%0.165CC..  trans-72.6131.9-176.430.3-36.2000111.8A382 N401 V402A382-P397 HydrophobicContact CB-CG 3.88Å; P397-N401 VanDerWaalsContact CB-O 3.24Å; P397-N401 WeakPolarHBondContact CB-O 3.47Å; P397-V402 HydrophobicContact CB-CG2 4.4Å; P397-V402 HydrophobicContact CG-CG2 4.42Å
398E96.9Very high98.3Very high42 Ų4228.8 Ų28.820%0.19614%0.136CC..SBendtrans-84.4-23.7170.7-174.2165.1-141.500112.1K208 A242 F243 L279K208-E398 VanDerWaalsContact CE-OE1 3.29Å; K208-E398 WeakPolarHBondContact CE-OE1 3.38Å; K208-E398 VanDerWaalsContact CE-OE2 3.22Å; K208-E398 WeakPolarHBondContact CE-OE2 3.29Å; K208-E398 VanDerWaalsContact NZ-CD 3.29Å; K208-E398 IonicContact NZ-OE1 3.46Å; K208-E398 PolarHBondContact NZ-OE1 2.86Å; K208-E398 IonicContact NZ-OE2 2.86Å; K208-E398 PolarHBondContact NZ-OE2 3.46Å; K208-E398 VanDerWaalsContact NZ-OE2 3.12Å; A242-E398 WeakPolarHBondContact CA-OE2 3.44Å; F243-E398 HydrophobicContact CD2-CG 4.14Å; F243-E398 PolarHBondContact N-OE2 2.82Å; L279-E398 HydrophobicContact CD2-CG 3.72Å
399Y98.5Very high98.3Very high5 Ų528.4 Ų28.42%0.0214%0.142CC..SBendtrans-136.3-151.5-176.4-161.8-144.4000111.7G241 F243 W266 V270 M296 L375 N401G241-Y399 WeakPolarHBondContact O-CB 2.92Å; F243-Y399 HydrophobicContact CE2-CD1 4.29Å; F243-Y399 HydrophobicContact CE2-CD2 4.19Å; F243-Y399 AromaticContact CE2-CG 3.88Å; F243-Y399 HydrophobicContact CE2-CG 3.88Å; F243-Y399 HydrophobicContact CZ-CD1 4.45Å; F243-Y399 HydrophobicContact CZ-CD2 4.26Å; F243-Y399 HydrophobicContact CZ-CG 4.24Å; W266-Y399 AromaticContact CD1-CD1 3.83Å; W266-Y399 AromaticContact CD1-CE1 3.77Å; W266-Y399 HydrophobicContact CD2-CD1 4.42Å; W266-Y399 AromaticContact CD2-CE1 3.73Å; W266-Y399 HydrophobicContact CD2-CE1 3.73Å; W266-Y399 AromaticContact CE2-CD1 3.69Å; W266-Y399 AromaticContact CE2-CE1 3.34Å; W266-Y399 HydrophobicContact CE3-CE1 4.42Å; W266-Y399 HydrophobicContact CG-CD1 4.48Å; W266-Y399 AromaticContact CG-CE1 3.98Å; W266-Y399 HydrophobicContact CG-CE1 3.98Å; W266-Y399 HydrophobicContact CH2-CE1 4.46Å; W266-Y399 HydrophobicContact CZ2-CD1 4.1Å; W266-Y399 AromaticContact CZ2-CE1 3.74Å; W266-Y399 HydrophobicContact CZ2-CE1 3.74Å; W266-Y399 AromaticContact NE1-CD1 3.3Å; W266-Y399 VanDerWaalsContact NE1-CD1 3.3Å; W266-Y399 AromaticContact NE1-CE1 3.38Å; W266-Y399 PolarHBondContact O-OH 2.95Å; V270-Y399 HydrophobicContact CG1-CD2 3.82Å; V270-Y399 HydrophobicContact CG1-CE2 3.2Å; M296-Y399 HydrophobicContact CE-CE1 4.1Å; M296-Y399 HydrophobicContact CE-CE2 4Å; M296-Y399 WeakPolarHBondContact CE-OH 3.34Å; L375-Y399 HydrophobicContact CD1-CD2 3.77Å; L375-Y399 HydrophobicContact CD1-CE2 3.62Å; L375-Y399 HydrophobicContact CD2-CD2 4Å; L375-Y399 HydrophobicContact CD2-CE2 4.23Å; L375-Y399 HydrophobicContact CG-CD2 4.07Å; L375-Y399 HydrophobicContact CG-CE2 4.35Å; Y399-N401 PolarHBondContact O-N 3.02Å
400A97.9Very high98.3Very high0 Ų024.9 Ų24.90%013%0.133CC..SBendtrans-82.58.8179.400000114.6W266 M296 L375 V458 V459W266-A400 HydrophobicContact CZ2-CB 4.1Å; M296-A400 HydrophobicContact CE-CB 3.54Å; L375-A400 HydrophobicContact CD1-CB 4.2Å; A400-V458 WeakPolarHBondContact O-CA 3.15Å; A400-V459 HydrophobicContact CB-CB 4.43Å; A400-V459 VanDerWaalsContact CB-O 3.28Å; A400-V459 WeakPolarHBondContact CB-O 3.43Å; A400-V459 PolarHBondContact O-N 3.28Å
401N98.7Very high98.3Very high2 Ų224.9 Ų24.91%0.01113%0.13CC..EExtended strand (participates in β ladder)trans-94.5112.8176.6-64.468.2000109.5T238 V239 W266 P397 Y399 M457T238-N401 PolarHBondContact O-ND2 3.49Å; T238-N401 VanDerWaalsContact O-ND2 3.14Å; V239-N401 WeakPolarHBondContact O-CB 3.33Å; V239-N401 PolarHBondContact O-ND2 3.44Å; W266-N401 PolarHBondContact NE1-OD1 3.05Å; P397-N401 VanDerWaalsContact CB-O 3.24Å; P397-N401 WeakPolarHBondContact CB-O 3.47Å; Y399-N401 PolarHBondContact O-N 3.02Å; N401-M457 CarbonylContact C-O 3.5Å; N401-M457 WeakPolarHBondContact CA-O 3.43Å
402V98.8Very high98.2Very high1 Ų127.1 Ų27.11%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-107.6111.4173.9-171.70000108.1A378 L381 A382 I385 L393 P397 F404 M457A378-V402 HydrophobicContact CB-CG2 3.86Å; A378-V402 WeakPolarHBondContact O-CG2 3.41Å; L381-V402 HydrophobicContact CD2-CB 4.03Å; L381-V402 HydrophobicContact CD2-CG1 4.16Å; L381-V402 HydrophobicContact CD2-CG2 4.13Å; L381-V402 HydrophobicContact CG-CG1 4.31Å; A382-V402 HydrophobicContact CB-CG1 4.3Å; I385-V402 HydrophobicContact CD1-CG1 3.74Å; L393-V402 HydrophobicContact CD2-CG1 3.93Å; P397-V402 HydrophobicContact CB-CG2 4.4Å; P397-V402 HydrophobicContact CG-CG2 4.42Å; V402-F404 HydrophobicContact CG1-CD1 4.2Å; V402-M457 HydrophobicContact CB-CB 4.34Å; V402-M457 PolarHBondContact N-O 3Å; V402-M457 PolarHBondContact O-N 3.03Å
403C98.9Very high98.1Very high3 Ų331.5 Ų31.52%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-103.7125.1-177.4-63.70000110V239 V394 F454 F455V239-C403 PolarHBondContact O-SG 3.43Å; V394-C403 HydrophobicContact CB-CB 3.8Å; V394-C403 HydrophobicContact CG2-CB 3.78Å; V394-C403 PolarHBondContact N-O 3.35Å; C403-F454 HydrophobicContact CB-CD2 3.83Å; C403-F454 HydrophobicContact CB-CE2 3.74Å; C403-F455 VanDerWaalsContact CA-O 3.29Å; C403-F455 WeakPolarHBondContact CA-O 3.41Å
404F98.9Very high98Very high0 Ų032.6 Ų32.60%017%0.172CC..EExtended strand (participates in β ladder)trans-155.9153-176.363.5-85.4000113I385 F391 R392 L393 V402 F454 F455 M457 L473 I476I385-F404 HydrophobicContact CD1-CB 3.98Å; I385-F404 HydrophobicContact CD1-CD1 3.51Å; I385-F404 HydrophobicContact CD1-CD2 4.24Å; I385-F404 HydrophobicContact CD1-CE1 3.98Å; I385-F404 HydrophobicContact CD1-CG 3.65Å; I385-F404 HydrophobicContact CG2-CB 4.5Å; F391-F404 AromaticContact CD1-CD2 3.88Å; F391-F404 HydrophobicContact CD1-CD2 3.88Å; F391-F404 AromaticContact CD1-CE2 3.89Å; F391-F404 HydrophobicContact CD1-CE2 3.89Å; F391-F404 HydrophobicContact CE1-CD2 4.48Å; F391-F404 HydrophobicContact CE1-CE2 4.05Å; R392-F404 CarbonylContact O-C 2.93Å; R392-F404 WeakPolarHBondContact O-CA 3.5Å; R392-F404 WeakPolarHBondContact O-CB 3.29Å; L393-F404 HydrophobicContact CD2-CB 4.35Å; V402-F404 HydrophobicContact CG1-CD1 4.2Å; F404-F454 WeakPolarHBondContact O-CB 3.31Å; F404-F455 HydrophobicContact CD1-CB 4.44Å; F404-F455 HydrophobicContact CD2-CB 4.42Å; F404-F455 HydrophobicContact CD2-CD2 4.43Å; F404-F455 HydrophobicContact CE1-CB 4.08Å; F404-F455 HydrophobicContact CE2-CB 4.05Å; F404-F455 AromaticContact CE2-CD2 3.99Å; F404-F455 HydrophobicContact CE2-CD2 3.99Å; F404-F455 HydrophobicContact CE2-CG 4.35Å; F404-F455 HydrophobicContact CZ-CB 3.87Å; F404-F455 HydrophobicContact CZ-CG 4.43Å; F404-F455 PolarHBondContact N-O 2.99Å; F404-F455 PolarHBondContact O-N 3.15Å; F404-M457 HydrophobicContact CE1-CB 3.91Å; F404-L473 HydrophobicContact CE2-CD2 4.4Å; F404-L473 HydrophobicContact CZ-CD2 4.4Å; F404-I476 HydrophobicContact CE2-CD1 3.73Å; F404-I476 HydrophobicContact CZ-CD1 3.69Å
405W98.9Very high97.8Very high18 Ų1836.2 Ų36.27%0.06820%0.196CC..EExtended strand (participates in β ladder)trans-93150.5165.9-63.3-82.5000110.9F391 R392 V394 I407 L424 Q451 A452 N453 F454F391-W405 WeakPolarHBondContact CA-O 3.26Å; R392-W405 HydrophobicContact CB-CE3 4.38Å; R392-W405 HydrophobicContact CG-CE3 4.3Å; R392-W405 PolarHBondContact N-O 3.23Å; R392-W405 PolarHBondContact O-N 3.5Å; V394-W405 HydrophobicContact CB-CH2 4.17Å; V394-W405 HydrophobicContact CB-CZ3 4.14Å; V394-W405 HydrophobicContact CG1-CH2 4.17Å; V394-W405 HydrophobicContact CG2-CD2 4.28Å; V394-W405 HydrophobicContact CG2-CE3 3.95Å; V394-W405 HydrophobicContact CG2-CH2 3.64Å; V394-W405 HydrophobicContact CG2-CZ2 3.92Å; V394-W405 HydrophobicContact CG2-CZ3 3.66Å; W405-I407 HydrophobicContact CB-CG1 4.46Å; W405-L424 HydrophobicContact CB-CD1 4.27Å; W405-L424 HydrophobicContact CB-CD2 4.16Å; W405-L424 HydrophobicContact CD2-CD2 4.23Å; W405-L424 HydrophobicContact CG-CD2 3.72Å; W405-L424 HydrophobicContact CG-CG 4.31Å; W405-Q451 HydrophobicContact CZ2-CB 3.95Å; W405-Q451 HydrophobicContact CZ2-CG 4.5Å; W405-Q451 VanDerWaalsContact CZ2-OE1 3.23Å; W405-A452 PolarHBondContact NE1-O 3.28Å; W405-A452 VanDerWaalsContact NE1-O 3.07Å; W405-N453 PolarHBondContact NE1-O 3.45Å; W405-F454 HydrophobicContact CD2-CB 4.16Å; W405-F454 HydrophobicContact CG-CB 4.06Å; W405-F454 HydrophobicContact CZ2-CB 4.43Å; W405-F454 AromaticContact CZ2-CD1 3.96Å; W405-F454 HydrophobicContact CZ2-CD1 3.96Å
406Y98.9Very high97.6Very high2 Ų240 Ų401%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-102128.7156.6176.2-105.1000108.4G390 F391 P408 L424 V427 I476 H477 G480 K481G390-Y406 CarbonylContact O-C 3.47Å; G390-Y406 VanDerWaalsContact O-CA 3.32Å; G390-Y406 WeakPolarHBondContact O-CA 3.29Å; G390-Y406 VanDerWaalsContact O-CD2 3.3Å; G390-Y406 WeakPolarHBondContact O-CD2 3.13Å; F391-Y406 HydrophobicContact CD1-CD2 4.1Å; F391-Y406 HydrophobicContact CD2-CD2 4.2Å; F391-Y406 AromaticContact CE1-CD2 3.66Å; F391-Y406 HydrophobicContact CE1-CD2 3.66Å; F391-Y406 HydrophobicContact CE1-CG 4.39Å; F391-Y406 AromaticContact CE2-CD2 3.76Å; F391-Y406 HydrophobicContact CE2-CD2 3.76Å; F391-Y406 AromaticContact CE2-CE2 3.9Å; F391-Y406 HydrophobicContact CE2-CE2 3.9Å; F391-Y406 HydrophobicContact CG-CD2 4.35Å; F391-Y406 AromaticContact CZ-CD2 3.46Å; F391-Y406 HydrophobicContact CZ-CD2 3.46Å; F391-Y406 VanDerWaalsContact CZ-CD2 3.46Å; F391-Y406 AromaticContact CZ-CE2 3.87Å; F391-Y406 HydrophobicContact CZ-CE2 3.87Å; Y406-P408 HydrophobicContact CE1-CB 4Å; Y406-L424 WeakPolarHBondContact O-CD1 3.35Å; Y406-V427 HydrophobicContact CD1-CG1 3.95Å; Y406-V427 WeakPolarHBondContact O-CG1 3.41Å; Y406-I476 HydrophobicContact CD1-CG2 4.23Å; Y406-I476 HydrophobicContact CD2-CG2 3.87Å; Y406-I476 HydrophobicContact CG-CG2 3.62Å; Y406-H477 HydrophobicContact CE2-CB 4.06Å; Y406-H477 AromaticContact CE2-ND1 3.73Å; Y406-H477 AromaticContact CZ-ND1 3.73Å; Y406-H477 PolarHBondContact OH-ND1 3.46Å; Y406-H477 PolarHBondContact OH-O 3.47Å; Y406-G480 WeakPolarHBondContact CE1-O 3.47Å; Y406-K481 WeakPolarHBondContact OH-CA 3.43Å; Y406-K481 PolarHBondContact OH-N 3.27Å
407I98.8Very high97.5Very high18 Ų1836.3 Ų36.39%0.09221%0.207CC..  trans-112.2103.1-178.3-53.6170.9000106.7G390 R392 W405 L411 R412 F420 L424G390-I407 WeakPolarHBondContact CA-O 3.5Å; G390-I407 PolarHBondContact O-N 3.26Å; R392-I407 HydrophobicContact CB-CD1 4.01Å; W405-I407 HydrophobicContact CB-CG1 4.46Å; I407-L411 HydrophobicContact CG2-CB 3.95Å; I407-R412 HydrophobicContact CG2-CG 4.09Å; I407-R412 PolarHBondContact O-NE 3.28Å; I407-F420 HydrophobicContact CD1-CZ 4.05Å; I407-F420 HydrophobicContact CG1-CZ 4.25Å; I407-F420 HydrophobicContact CG2-CE2 3.96Å; I407-F420 HydrophobicContact CG2-CZ 4.23Å; I407-L424 HydrophobicContact CG1-CD1 4.14Å
408P98.6Very high97.4Very high0 Ų041 Ų410%024%0.237CC..  trans-66.6158.3-178.431.7-37.1000110.7Y406 S410 L411 R412 V427 G480 L483Y406-P408 HydrophobicContact CE1-CB 4Å; P408-S410 PolarHBondContact O-N 2.96Å; P408-S410 VanDerWaalsContact O-N 3.08Å; P408-L411 HydrophobicContact CG-CB 4.39Å; P408-L411 HydrophobicContact CG-CD1 3.97Å; P408-L411 HydrophobicContact CG-CG 3.92Å; P408-L411 PolarHBondContact O-N 3.45Å; P408-R412 WeakPolarHBondContact O-CG 3.38Å; P408-V427 HydrophobicContact CG-CG2 3.95Å; P408-G480 WeakPolarHBondContact CB-O 3.47Å; P408-L483 HydrophobicContact CB-CB 3.88Å; P408-L483 HydrophobicContact CG-CB 4.09Å
409P98.6Very high97.4Very high54 Ų5444.2 Ų44.235%0.35125%0.252SS..G310 helixtrans-48.1-39.2-178.2-29.436.4000114.4L411 R412 K481P409-L411 PolarHBondContact O-N 3.3Å; P409-L411 VanDerWaalsContact O-N 3.15Å; P409-R412 PolarHBondContact O-N 3.02Å; P409-K481 WeakPolarHBondContact CD-O 3.24Å; P409-K481 WeakPolarHBondContact CG-O 3.47Å
410S98Very high97.4Very high67 Ų6744.3 Ų44.347%0.46925%0.253SS..G310 helixtrans-61.6-20.1-179.962.30000115.1P408 L483P408-S410 PolarHBondContact O-N 2.96Å; P408-S410 VanDerWaalsContact O-N 3.08Å; S410-L483 VanDerWaalsContact CB-O 3.25Å; S410-L483 WeakPolarHBondContact CB-O 3.2Å; S410-L483 VanDerWaalsContact OG-C 3.29Å; S410-L483 PolarHBondContact OG-O 3.41Å; S410-L483 PolarHBondContact OG-OXT 2.89Å
411L98.3Very high97.3Very high11 Ų1147 Ų476%0.05827%0.265CS..G310 helixtrans-108.2-4.7-177.5-57.3-174.2000113.7I407 P408 P409 D413 L414 F420 K423 V427I407-L411 HydrophobicContact CG2-CB 3.95Å; P408-L411 HydrophobicContact CG-CB 4.39Å; P408-L411 HydrophobicContact CG-CD1 3.97Å; P408-L411 HydrophobicContact CG-CG 3.92Å; P408-L411 PolarHBondContact O-N 3.45Å; P409-L411 PolarHBondContact O-N 3.3Å; P409-L411 VanDerWaalsContact O-N 3.15Å; L411-D413 PolarHBondContact O-N 2.8Å; L411-L414 HydrophobicContact CD2-CD1 3.59Å; L411-L414 PolarHBondContact O-N 3.46Å; L411-F420 HydrophobicContact CB-CD2 4.33Å; L411-F420 HydrophobicContact CB-CE2 4.1Å; L411-F420 WeakPolarHBondContact O-CE2 3.4Å; L411-K423 HydrophobicContact CD1-CB 3.89Å; L411-K423 HydrophobicContact CD2-CB 3.7Å; L411-K423 HydrophobicContact CD2-CD 3.59Å; L411-K423 HydrophobicContact CD2-CG 4.28Å; L411-V427 HydrophobicContact CD1-CG2 4.01Å
412R96.3Very high97.3Very high67 Ų6753.5 Ų53.525%0.25330%0.296SS..THydrogen-bonded Turntrans-69.7-32-170.4-63.3-177.7-173.2170.1-2113.8E389 I407 P408 P409E389-R412 WeakPolarHBondContact OE1-CD 3.42Å; E389-R412 IonicContact OE1-CZ 3.72Å; E389-R412 IonicContact OE1-NE 3.81Å; E389-R412 IonicContact OE1-NH1 2.79Å; E389-R412 PolarHBondContact OE1-NH1 2.72Å; E389-R412 IonicContact OE2-NH1 2.79Å; E389-R412 PolarHBondContact OE2-NH1 3.17Å; E389-R412 VanDerWaalsContact OE2-NH1 3.11Å; I407-R412 HydrophobicContact CG2-CG 4.09Å; I407-R412 PolarHBondContact O-NE 3.28Å; P408-R412 WeakPolarHBondContact O-CG 3.38Å; P409-R412 PolarHBondContact O-N 3.02Å
413D95.8Very high97.2Very high160 Ų16057.5 Ų57.586%0.85631%0.313SS*.THydrogen-bonded Turntrans-90.3-3.3179.3-61.6-41.7000113L411L411-D413 PolarHBondContact O-N 2.8Å
414L96Very high97.2Very high51 Ų5157.4 Ų57.427%0.26731%0.312SS..SBendtrans-78.6133.1176.2-69.4177.2000110.1L411 F420 K423L411-L414 HydrophobicContact CD2-CD1 3.59Å; L411-L414 PolarHBondContact O-N 3.46Å; L414-F420 HydrophobicContact CB-CD2 4.08Å; L414-K423 HydrophobicContact CD1-CD 4.04Å
415P95.1Very high97.2Very high106 Ų10660.8 Ų60.869%0.68833%0.328SS*.  trans-66146.2176.727.9-33.8000110.9G417 F420P415-G417 PolarHBondContact O-N 3.14Å; P415-F420 WeakPolarHBondContact O-CB 3.27Å
416D93.3Very high97.2Very high110 Ų11064.4 Ų64.459%0.58835%0.349SS*.SBendtrans-59.5109.1173.2-86.6-44.3000109.7R392 F420R392-D416 IonicContact CZ-OD1 3.38Å; R392-D416 VanDerWaalsContact NH1-CG 3.29Å; R392-D416 IonicContact NH1-OD1 3.14Å; R392-D416 PolarHBondContact NH1-OD1 3.23Å; R392-D416 IonicContact NH1-OD2 2.73Å; R392-D416 PolarHBondContact NH1-OD2 3.32Å; R392-D416 IonicContact NH2-OD1 2.72Å; R392-D416 PolarHBondContact NH2-OD1 3.08Å; D416-F420 WeakPolarHBondContact OD1-CD1 3.13Å; D416-F420 VanDerWaalsContact OD1-CE1 3.22Å; D416-F420 WeakPolarHBondContact OD1-CE1 3.49Å
417G95Very high97.2Very high26 Ų2664.7 Ų64.727%0.26835%0.351SS..SBendtrans-166.9-177.6-177.800000112P415 E419 F420 Q421P415-G417 PolarHBondContact O-N 3.14Å; G417-E419 VanDerWaalsContact C-N 3.33Å; G417-E419 PolarHBondContact O-N 3.34Å; G417-F420 PolarHBondContact O-N 2.93Å; G417-F420 VanDerWaalsContact O-N 3.16Å; G417-Q421 WeakPolarHBondContact O-CG 3.41Å; G417-Q421 PolarHBondContact O-N 2.94Å
418P95.8Very high97.2Very high117 Ų11764 Ų6476%0.7635%0.348SS*.Hα-helixtrans-55.6-43.7-176-27.435.6000113.8Q421 E422P418-Q421 PolarHBondContact O-N 2.94Å; P418-E422 WeakPolarHBondContact O-CB 3.37Å; P418-E422 PolarHBondContact O-N 3.24Å
419E96.8Very high97.2Very high110 Ų11065.6 Ų65.651%0.51436%0.358SS..Hα-helixtrans-62.4-44.4177.7-176.8-176.3175.400111.9G417 Q421 E422 K423G417-E419 VanDerWaalsContact C-N 3.33Å; G417-E419 PolarHBondContact O-N 3.34Å; E419-Q421 PolarHBondContact O-N 2.68Å; E419-E422 PolarHBondContact O-N 3.4Å; E419-K423 HydrophobicContact CG-CD 4.35Å; E419-K423 WeakPolarHBondContact O-CG 3.3Å; E419-K423 PolarHBondContact O-N 3.17Å; E419-K423 VanDerWaalsContact OE1-CE 3.27Å; E419-K423 WeakPolarHBondContact OE1-CE 3.35Å; E419-K423 IonicContact OE1-NZ 2.94Å; E419-K423 PolarHBondContact OE1-NZ 3.14Å
420F97.4Very high97.2Very high7 Ų765.3 Ų65.33%0.03136%0.355CS..Hα-helixtrans-61.7-44.5176.3172-90.8000111.2R392 I407 L411 L414 P415 D416 G417 K423 L424R392-F420 VanDerWaalsContact NH2-CE1 3.34Å; I407-F420 HydrophobicContact CD1-CZ 4.05Å; I407-F420 HydrophobicContact CG1-CZ 4.25Å; I407-F420 HydrophobicContact CG2-CE2 3.96Å; I407-F420 HydrophobicContact CG2-CZ 4.23Å; L411-F420 HydrophobicContact CB-CD2 4.33Å; L411-F420 HydrophobicContact CB-CE2 4.1Å; L411-F420 WeakPolarHBondContact O-CE2 3.4Å; L414-F420 HydrophobicContact CB-CD2 4.08Å; P415-F420 WeakPolarHBondContact O-CB 3.27Å; D416-F420 WeakPolarHBondContact OD1-CD1 3.13Å; D416-F420 VanDerWaalsContact OD1-CE1 3.22Å; D416-F420 WeakPolarHBondContact OD1-CE1 3.49Å; G417-F420 PolarHBondContact O-N 2.93Å; G417-F420 VanDerWaalsContact O-N 3.16Å; F420-K423 PolarHBondContact O-N 3.2Å; F420-L424 HydrophobicContact CD1-CD2 4.45Å; F420-L424 HydrophobicContact CE1-CB 4.35Å; F420-L424 HydrophobicContact CE1-CD2 3.54Å; F420-L424 HydrophobicContact CE1-CG 4.5Å; F420-L424 HydrophobicContact CZ-CD2 3.8Å; F420-L424 WeakPolarHBondContact O-CB 3.2Å; F420-L424 PolarHBondContact O-N 2.78Å
421Q97.3Very high97.2Very high57 Ų5762.1 Ų62.127%0.26633%0.333SS..Hα-helixtrans-64.9-41.1179.1-67.4-64.5-37.300112.2G417 P418 E419 L424 H425 A452G417-Q421 WeakPolarHBondContact O-CG 3.41Å; G417-Q421 PolarHBondContact O-N 2.94Å; P418-Q421 PolarHBondContact O-N 2.94Å; E419-Q421 PolarHBondContact O-N 2.68Å; Q421-L424 PolarHBondContact O-N 3.25Å; Q421-H425 WeakPolarHBondContact O-CB 3.35Å; Q421-H425 PolarHBondContact O-N 3.19Å; Q421-A452 WeakPolarHBondContact O-CB 3.38Å
422E97.1Very high97.3Very high139 Ų13962.7 Ų62.765%0.6534%0.335SS*.Hα-helixtrans-63-46.7176.6-174.2-179.3176.600111.5P418 E419 H425 N426P418-E422 WeakPolarHBondContact O-CB 3.37Å; P418-E422 PolarHBondContact O-N 3.24Å; E419-E422 PolarHBondContact O-N 3.4Å; E422-H425 WeakPolarHBondContact O-CB 3.42Å; E422-H425 PolarHBondContact O-N 2.88Å; E422-N426 PolarHBondContact O-ND2 3.48Å
423K98.3Very high97.4Very high84 Ų8464.2 Ų64.237%0.36535%0.345SS..Hα-helixtrans-65.7-44.7176.5-69.6-178.5-173.31730111.7L411 L414 E419 F420 H425 N426L411-K423 HydrophobicContact CD1-CB 3.89Å; L411-K423 HydrophobicContact CD2-CB 3.7Å; L411-K423 HydrophobicContact CD2-CD 3.59Å; L411-K423 HydrophobicContact CD2-CG 4.28Å; L414-K423 HydrophobicContact CD1-CD 4.04Å; E419-K423 HydrophobicContact CG-CD 4.35Å; E419-K423 WeakPolarHBondContact O-CG 3.3Å; E419-K423 PolarHBondContact O-N 3.17Å; E419-K423 VanDerWaalsContact OE1-CE 3.27Å; E419-K423 WeakPolarHBondContact OE1-CE 3.35Å; E419-K423 IonicContact OE1-NZ 2.94Å; E419-K423 PolarHBondContact OE1-NZ 3.14Å; F420-K423 PolarHBondContact O-N 3.2Å; K423-H425 PolarHBondContact O-N 2.69Å; K423-N426 PolarHBondContact O-N 2.84Å; K423-N426 VanDerWaalsContact O-N 3.14Å
424L98.6Very high97.5Very high1 Ų160.4 Ų60.41%0.00532%0.318CS..Hα-helixtrans-60.8-34.5178.4-174.563000112.1W405 Y406 I407 F420 Q421 N426 V427 A452W405-L424 HydrophobicContact CB-CD1 4.27Å; W405-L424 HydrophobicContact CB-CD2 4.16Å; W405-L424 HydrophobicContact CD2-CD2 4.23Å; W405-L424 HydrophobicContact CG-CD2 3.72Å; W405-L424 HydrophobicContact CG-CG 4.31Å; Y406-L424 WeakPolarHBondContact O-CD1 3.35Å; I407-L424 HydrophobicContact CG1-CD1 4.14Å; F420-L424 HydrophobicContact CD1-CD2 4.45Å; F420-L424 HydrophobicContact CE1-CB 4.35Å; F420-L424 HydrophobicContact CE1-CD2 3.54Å; F420-L424 HydrophobicContact CE1-CG 4.5Å; F420-L424 HydrophobicContact CZ-CD2 3.8Å; F420-L424 WeakPolarHBondContact O-CB 3.2Å; F420-L424 PolarHBondContact O-N 2.78Å; Q421-L424 PolarHBondContact O-N 3.25Å; L424-N426 PolarHBondContact O-N 3.32Å; L424-N426 VanDerWaalsContact O-N 3.16Å; L424-V427 HydrophobicContact CD1-CG2 4.26Å; L424-V427 WeakPolarHBondContact O-CB 3.21Å; L424-V427 PolarHBondContact O-N 3.36Å; L424-V427 VanDerWaalsContact O-N 3.09Å; L424-A452 HydrophobicContact CB-CB 4.27Å; L424-A452 HydrophobicContact CD2-CB 4.36Å; L424-A452 HydrophobicContact CG-CB 4.29Å
425H98.6Very high97.7Very high71 Ų7158 Ų5833%0.32931%0.306SS..Hα-helixtrans-57.3-30.6177.8-170.593.3000112.6Q421 E422 K423 P429 A452 N453Q421-H425 WeakPolarHBondContact O-CB 3.35Å; Q421-H425 PolarHBondContact O-N 3.19Å; E422-H425 WeakPolarHBondContact O-CB 3.42Å; E422-H425 PolarHBondContact O-N 2.88Å; K423-H425 PolarHBondContact O-N 2.69Å; H425-P429 VanDerWaalsContact O-CD 3.31Å; H425-P429 WeakPolarHBondContact O-CD 3.31Å; H425-A452 HydrophobicContact CB-CB 4Å; H425-N453 PolarHBondContact CD2-ND2 3Å; H425-N453 VanDerWaalsContact CE1-CG 3.48Å; H425-N453 PolarHBondContact CE1-ND2 3.42Å; H425-N453 VanDerWaalsContact CE1-ND2 3.29Å; H425-N453 PolarHBondContact CE1-OD1 2.84Å; H425-N453 PolarHBondContact ND1-N 2.96Å; H425-N453 PolarHBondContact NE2-ND2 3.27Å; H425-N453 WeakPolarHBondContact O-CB 3.41Å; H425-N453 PolarHBondContact O-ND2 3.02Å
426N98.6Very high97.8Very high94 Ų9454.7 Ų54.750%0.50328%0.282SS..Hα-helixtrans-85.8-13.3-178.5-63.5-45.9000113.7E422 K423 L424 P429 V430E422-N426 PolarHBondContact O-ND2 3.48Å; K423-N426 PolarHBondContact O-N 2.84Å; K423-N426 VanDerWaalsContact O-N 3.14Å; L424-N426 PolarHBondContact O-N 3.32Å; L424-N426 VanDerWaalsContact O-N 3.16Å; N426-P429 WeakPolarHBondContact O-CD 3.41Å; N426-V430 WeakPolarHBondContact O-CG2 3.3Å
427V98.8Very high98.1Very high9 Ų955.3 Ų55.36%0.05528%0.279CS..Hα-helixtrans-67.9-55.1-175.91760000112Y406 P408 L411 L424 V430 V431 L483Y406-V427 HydrophobicContact CD1-CG1 3.95Å; Y406-V427 WeakPolarHBondContact O-CG1 3.41Å; P408-V427 HydrophobicContact CG-CG2 3.95Å; L411-V427 HydrophobicContact CD1-CG2 4.01Å; L424-V427 HydrophobicContact CD1-CG2 4.26Å; L424-V427 WeakPolarHBondContact O-CB 3.21Å; L424-V427 PolarHBondContact O-N 3.36Å; L424-V427 VanDerWaalsContact O-N 3.09Å; V427-V430 PolarHBondContact O-N 3.32Å; V427-V431 HydrophobicContact CG1-CG2 4.24Å; V427-V431 WeakPolarHBondContact O-CG2 3.13Å; V427-V431 PolarHBondContact O-N 2.78Å; V427-L483 HydrophobicContact CG1-CD1 3.98Å
428A98.8Very high98.2Very high3 Ų359 Ų593%0.02529%0.288CS..Hα-helixtrans-60.1-41.4-175.200000113.7V430 K432 Y445 N453 F455A428-V430 PolarHBondContact O-N 2.95Å; A428-K432 VanDerWaalsContact O-CB 3.28Å; A428-K432 WeakPolarHBondContact O-CB 3.4Å; A428-K432 PolarHBondContact O-N 2.88Å; A428-Y445 HydrophobicContact CB-CD2 4.27Å; A428-Y445 HydrophobicContact CB-CG 4.04Å; A428-N453 HydrophobicContact CB-CB 4.09Å; A428-F455 HydrophobicContact CB-CD2 4.48Å; A428-F455 HydrophobicContact CB-CE1 4.08Å; A428-F455 HydrophobicContact CB-CE2 4Å; A428-F455 HydrophobicContact CB-CZ 3.79Å
429P98.8Very high98.4Very high33 Ų3353.5 Ų53.521%0.21425%0.252CS..Hα-helixtrans-54.9-47.4171.5-26.232.4000114.2H425 N426 K432 E433 Y445H425-P429 VanDerWaalsContact O-CD 3.31Å; H425-P429 WeakPolarHBondContact O-CD 3.31Å; N426-P429 WeakPolarHBondContact O-CD 3.41Å; P429-K432 PolarHBondContact O-N 3.23Å; P429-E433 PolarHBondContact O-N 3.44Å; P429-Y445 HydrophobicContact CB-CE2 4.29Å; P429-Y445 HydrophobicContact CG-CD2 4.42Å; P429-Y445 HydrophobicContact CG-CE2 3.68Å
430V98.8Very high98.4Very high49 Ų4949.1 Ų49.130%0.29723%0.234SC..Hα-helixtrans-67.4-44.4-177.6177.40000111N426 V427 A428 K432 E433 R434 L483N426-V430 WeakPolarHBondContact O-CG2 3.3Å; V427-V430 PolarHBondContact O-N 3.32Å; A428-V430 PolarHBondContact O-N 2.95Å; V430-K432 VanDerWaalsContact C-N 3.29Å; V430-K432 PolarHBondContact O-N 3.37Å; V430-E433 PolarHBondContact O-N 3.24Å; V430-R434 WeakPolarHBondContact O-CG 3.46Å; V430-R434 PolarHBondContact O-N 2.69Å; V430-L483 HydrophobicContact CB-CD1 4.35Å; V430-L483 HydrophobicContact CB-CD2 4.37Å; V430-L483 HydrophobicContact CG1-CD1 4.28Å; V430-L483 HydrophobicContact CG1-CD2 3.62Å
431V98.9Very high98.5Very high0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-62.9-37.3175.6173.70000111V427 R434 M435 F455 I476 L479 L483V427-V431 HydrophobicContact CG1-CG2 4.24Å; V427-V431 WeakPolarHBondContact O-CG2 3.13Å; V427-V431 PolarHBondContact O-N 2.78Å; V431-R434 PolarHBondContact O-N 3.4Å; V431-M435 HydrophobicContact CG1-CE 3.85Å; V431-M435 PolarHBondContact O-N 3.27Å; V431-F455 HydrophobicContact CB-CZ 3.89Å; V431-F455 HydrophobicContact CG1-CZ 3.74Å; V431-I476 HydrophobicContact CG1-CG2 4.31Å; V431-L479 HydrophobicContact CG1-CB 4.1Å; V431-L483 HydrophobicContact CG2-CD1 3.68Å
432K98.8Very high98.5Very high23 Ų2346.7 Ų46.710%0.122%0.223CC..Hα-helixtrans-64.3-42.9173.9178.653.4170.5-750112.6N80 A428 P429 V430 R434 M435 M436 V443 Y445N80-K432 PolarHBondContact OD1-NZ 2.61Å; A428-K432 VanDerWaalsContact O-CB 3.28Å; A428-K432 WeakPolarHBondContact O-CB 3.4Å; A428-K432 PolarHBondContact O-N 2.88Å; P429-K432 PolarHBondContact O-N 3.23Å; V430-K432 VanDerWaalsContact C-N 3.29Å; V430-K432 PolarHBondContact O-N 3.37Å; K432-R434 VanDerWaalsContact C-N 3.33Å; K432-R434 PolarHBondContact O-N 2.78Å; K432-M435 HydrophobicContact CD-CE 4.36Å; K432-M435 HydrophobicContact CD-CG 3.75Å; K432-M435 HydrophobicContact CD-SD 3.43Å; K432-M435 WeakPolarHBondContact CD-SD 3.22Å; K432-M435 WeakPolarHBondContact O-CG 3.31Å; K432-M435 PolarHBondContact O-N 2.92Å; K432-M436 HydrophobicContact CD-CG 4.02Å; K432-M436 HydrophobicContact CD-SD 4.07Å; K432-M436 WeakPolarHBondContact CE-SD 3.33Å; K432-M436 HydrophobicContact CG-SD 4.31Å; K432-M436 WeakPolarHBondContact O-CG 3.12Å; K432-M436 PolarHBondContact O-N 3.12Å; K432-M436 VanDerWaalsContact O-N 3.09Å; K432-V443 PolarHBondContact NZ-O 3.17Å; K432-Y445 HydrophobicContact CB-CD1 3.64Å; K432-Y445 HydrophobicContact CB-CE1 3.52Å; K432-Y445 HydrophobicContact CG-CD1 3.84Å; K432-Y445 HydrophobicContact CG-CE1 3.61Å
433E98.8Very high98.6Very high99 Ų9940.1 Ų40.146%0.46319%0.192SC..Hα-helixtrans-59.9-47.1175.2-172.7-171.3165.300110.9P429 V430 M435 M436 K437P429-E433 PolarHBondContact O-N 3.44Å; V430-E433 PolarHBondContact O-N 3.24Å; E433-M435 PolarHBondContact O-N 3.48Å; E433-M436 PolarHBondContact O-N 3.03Å; E433-K437 HydrophobicContact CG-CD 4.23Å; E433-K437 PolarHBondContact O-N 3.49Å; E433-K437 WeakPolarHBondContact OE1-CE 3.4Å; E433-K437 IonicContact OE1-NZ 3.22Å; E433-K437 PolarHBondContact OE1-NZ 3.02Å
434R98.8Very high98.6Very high79 Ų7936.4 Ų36.430%0.29818%0.177SC..Hα-helixtrans-63.1-42.3179.8-66.9172.7174.3-155.1-3.6112.3V430 V431 K432 M436 K437 K438 L479 D482V430-R434 WeakPolarHBondContact O-CG 3.46Å; V430-R434 PolarHBondContact O-N 2.69Å; V431-R434 PolarHBondContact O-N 3.4Å; K432-R434 VanDerWaalsContact C-N 3.33Å; K432-R434 PolarHBondContact O-N 2.78Å; R434-M436 VanDerWaalsContact C-N 3.35Å; R434-M436 PolarHBondContact O-N 3.34Å; R434-K437 PolarHBondContact O-N 2.87Å; R434-K438 VanDerWaalsContact O-CB 3.32Å; R434-K438 WeakPolarHBondContact O-CB 3.25Å; R434-K438 PolarHBondContact O-N 3.49Å; R434-L479 HydrophobicContact CB-CB 4.39Å; R434-L479 HydrophobicContact CB-CD2 3.97Å; R434-L479 WeakPolarHBondContact CD-O 3.39Å; R434-L479 PolarHBondContact NH1-O 3.16Å; R434-D482 IonicContact CZ-OD1 3.68Å; R434-D482 IonicContact CZ-OD2 3.77Å; R434-D482 IonicContact NH1-OD1 3.97Å; R434-D482 PolarHBondContact NH1-OD1 3.15Å; R434-D482 IonicContact NH1-OD2 3.2Å; R434-D482 PolarHBondContact NH1-OD2 3.01Å; R434-D482 IonicContact NH2-OD1 2.72Å; R434-D482 IonicContact NH2-OD2 2.85Å; R434-D482 PolarHBondContact NH2-OD2 3.1Å
435M98.6Very high98.6Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-65.1-36.6176.370.1-178.765.700112.4V431 K432 E433 G439 S440 M441 V443 F455 L479V431-M435 HydrophobicContact CG1-CE 3.85Å; V431-M435 PolarHBondContact O-N 3.27Å; K432-M435 HydrophobicContact CD-CE 4.36Å; K432-M435 HydrophobicContact CD-CG 3.75Å; K432-M435 HydrophobicContact CD-SD 3.43Å; K432-M435 WeakPolarHBondContact CD-SD 3.22Å; K432-M435 WeakPolarHBondContact O-CG 3.31Å; K432-M435 PolarHBondContact O-N 2.92Å; E433-M435 PolarHBondContact O-N 3.48Å; M435-G439 WeakPolarHBondContact O-CA 3.35Å; M435-G439 PolarHBondContact O-N 3.27Å; M435-S440 PolarHBondContact O-N 3.44Å; M435-M441 HydrophobicContact CB-CE 4.37Å; M435-M441 HydrophobicContact CB-CG 4.07Å; M435-M441 HydrophobicContact CE-CE 3.79Å; M435-M441 HydrophobicContact SD-CE 4.4Å; M435-M441 HydrophobicContact SD-CG 4.21Å; M435-V443 HydrophobicContact SD-CB 4.43Å; M435-F455 HydrophobicContact CE-CE1 3.97Å; M435-F455 HydrophobicContact CE-CZ 4.46Å; M435-L479 HydrophobicContact CB-CD1 3.61Å
436M98.5Very high98.6Very high37 Ų3738.5 Ų38.518%0.18219%0.185CC..Hα-helixtrans-70.4-42.7178-73.6-176.165.200112.2C33 W35 K432 E433 R434 G439 M442C33-M436 PolarHBondContact SG-O 2.85Å; W35-M436 WeakPolarHBondContact CB-O 3.47Å; W35-M436 HydrophobicContact CD2-CE 4.13Å; W35-M436 HydrophobicContact CE3-CE 3.35Å; W35-M436 HydrophobicContact CH2-CE 4.24Å; W35-M436 HydrophobicContact CZ3-CE 3.41Å; W35-M436 VanDerWaalsContact CZ3-CE 3.41Å; K432-M436 HydrophobicContact CD-CG 4.02Å; K432-M436 HydrophobicContact CD-SD 4.07Å; K432-M436 WeakPolarHBondContact CE-SD 3.33Å; K432-M436 HydrophobicContact CG-SD 4.31Å; K432-M436 WeakPolarHBondContact O-CG 3.12Å; K432-M436 PolarHBondContact O-N 3.12Å; K432-M436 VanDerWaalsContact O-N 3.09Å; E433-M436 PolarHBondContact O-N 3.03Å; R434-M436 VanDerWaalsContact C-N 3.35Å; R434-M436 PolarHBondContact O-N 3.34Å; M436-G439 PolarHBondContact O-N 3.37Å; M436-M442 HydrophobicContact CE-CE 4.22Å; M436-M442 HydrophobicContact CG-CE 4.42Å; M436-M442 HydrophobicContact SD-CE 4.34Å
437K98.6Very high98.6Very high124 Ų12437.5 Ų37.554%0.53918%0.183SC..Hα-helixtrans-64.8-39.2175.6-75.4178.8170.3173.60112.2E433 R434 G439E433-K437 HydrophobicContact CG-CD 4.23Å; E433-K437 PolarHBondContact O-N 3.49Å; E433-K437 WeakPolarHBondContact OE1-CE 3.4Å; E433-K437 IonicContact OE1-NZ 3.22Å; E433-K437 PolarHBondContact OE1-NZ 3.02Å; R434-K437 PolarHBondContact O-N 2.87Å; K437-G439 VanDerWaalsContact C-N 3.35Å
438K98.6Very high98.5Very high103 Ų10338.4 Ų38.445%0.44819%0.186SC..Hα-helixtrans-70-34.1174.2-172171.5169.4-168.60111.8R434 S440 E475 L479R434-K438 VanDerWaalsContact O-CB 3.32Å; R434-K438 WeakPolarHBondContact O-CB 3.25Å; R434-K438 PolarHBondContact O-N 3.49Å; K438-S440 VanDerWaalsContact C-N 3.31Å; K438-E475 VanDerWaalsContact CD-OE1 3.22Å; K438-E475 WeakPolarHBondContact CD-OE1 3.31Å; K438-E475 VanDerWaalsContact CE-OE1 3.22Å; K438-E475 WeakPolarHBondContact CE-OE1 3.31Å; K438-E475 IonicContact NZ-OE1 3.72Å; K438-E475 PolarHBondContact NZ-OE1 3.33Å; K438-E475 IonicContact NZ-OE2 2.65Å; K438-E475 PolarHBondContact NZ-OE2 3.44Å; K438-L479 HydrophobicContact CD-CD2 4.14Å
439G98.4Very high98Very high1 Ų142.7 Ų42.71%0.0120%0.202CC..THydrogen-bonded Turntrans74.819.1-176.400000113.4K31 V32 C33 M435 M436 K437K31-G439 CarbonylContact C-O 3.59Å; K31-G439 VanDerWaalsContact CA-O 3.31Å; K31-G439 WeakPolarHBondContact CA-O 3.19Å; V32-G439 PolarHBondContact N-O 2.94Å; C33-G439 WeakPolarHBondContact O-CA 3.24Å; M435-G439 WeakPolarHBondContact O-CA 3.35Å; M435-G439 PolarHBondContact O-N 3.27Å; M436-G439 PolarHBondContact O-N 3.37Å; K437-G439 VanDerWaalsContact C-N 3.35Å
440S98.2Very high97.6Very high19 Ų1945.2 Ų45.213%0.13323%0.234CC..SBendtrans-81.1-35.1-174.648.30000113.7M435 K438 E475M435-S440 PolarHBondContact O-N 3.44Å; K438-S440 VanDerWaalsContact C-N 3.31Å; S440-E475 WeakPolarHBondContact CB-OE1 3.2Å; S440-E475 PolarHBondContact OG-OE1 3.18Å
441M98.1Very high97.4Very high0 Ų046 Ų460%024%0.235CC..  trans-159.7168.6177.264.5177.7176.300111.1H77 M435 V443 F471 V472 E475 I476 L479H77-M441 HydrophobicContact CB-CB 3.98Å; H77-M441 WeakPolarHBondContact O-CA 3.34Å; M435-M441 HydrophobicContact CB-CE 4.37Å; M435-M441 HydrophobicContact CB-CG 4.07Å; M435-M441 HydrophobicContact CE-CE 3.79Å; M435-M441 HydrophobicContact SD-CE 4.4Å; M435-M441 HydrophobicContact SD-CG 4.21Å; M441-V443 HydrophobicContact SD-CG2 4.24Å; M441-F471 HydrophobicContact CB-CE1 4.4Å; M441-V472 HydrophobicContact SD-CB 4.49Å; M441-V472 HydrophobicContact SD-CG1 4.4Å; M441-V472 HydrophobicContact SD-CG2 4.26Å; M441-E475 HydrophobicContact CE-CB 3.78Å; M441-E475 HydrophobicContact CE-CG 3.48Å; M441-E475 VanDerWaalsContact CE-CG 3.48Å; M441-E475 HydrophobicContact CG-CG 4.27Å; M441-E475 HydrophobicContact SD-CB 4.08Å; M441-E475 HydrophobicContact SD-CG 3.93Å; M441-I476 HydrophobicContact CE-CB 4.44Å; M441-I476 HydrophobicContact CE-CD1 4.43Å; M441-I476 HydrophobicContact CE-CG1 3.46Å; M441-I476 VanDerWaalsContact CE-CG1 3.46Å; M441-L479 HydrophobicContact CE-CD1 4.19Å
442M98.7Very high97.4Very high13 Ų1346.2 Ų46.26%0.06424%0.237CC..EExtended strand (participates in β ladder)trans-136.4116.9168-64.8-17672.200111.1V32 C33 V71 H77 F78 F79 N80 M436V32-M442 HydrophobicContact CG1-CB 4.36Å; V32-M442 HydrophobicContact CG1-CG 3.82Å; V32-M442 HydrophobicContact CG1-SD 4.03Å; C33-M442 HydrophobicContact CB-SD 4.28Å; V71-M442 HydrophobicContact CG1-SD 3.58Å; V71-M442 VanDerWaalsContact CG1-SD 3.58Å; V71-M442 HydrophobicContact CG2-SD 4.18Å; H77-M442 PolarHBondContact O-N 2.91Å; H77-M442 VanDerWaalsContact O-N 3.13Å; F78-M442 HydrophobicContact CD2-CB 4.11Å; F78-M442 HydrophobicContact CD2-SD 4.16Å; F78-M442 HydrophobicContact CE2-CB 4.49Å; F78-M442 HydrophobicContact CE2-SD 4.18Å; F79-M442 CarbonylContact C-O 3.49Å; F79-M442 VanDerWaalsContact C-O 3.26Å; F79-M442 WeakPolarHBondContact CA-O 3.5Å; F79-M442 PolarHBondContact N-O 2.97Å; N80-M442 HydrophobicContact CB-CB 3.97Å; N80-M442 PolarHBondContact N-O 3.35Å; M436-M442 HydrophobicContact CE-CE 4.22Å; M436-M442 HydrophobicContact CG-CE 4.42Å; M436-M442 HydrophobicContact SD-CE 4.34Å
443V98.4Very high97.4Very high0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-119.9141.1173.9-173.50000109.4F79 K432 M435 M441 F455 M457 V472F79-V443 HydrophobicContact CB-CG2 4.26Å; F79-V443 HydrophobicContact CD2-CG2 4.31Å; K432-V443 PolarHBondContact NZ-O 3.17Å; M435-V443 HydrophobicContact SD-CB 4.43Å; M441-V443 HydrophobicContact SD-CG2 4.24Å; V443-F455 HydrophobicContact CB-CD1 4.38Å; V443-F455 HydrophobicContact CG1-CB 4.23Å; V443-F455 HydrophobicContact CG1-CD1 4.13Å; V443-M457 HydrophobicContact CG1-CB 4.37Å; V443-V472 HydrophobicContact CG2-CG1 4.41Å
444G98.4Very high97.4Very high6 Ų640.9 Ų40.96%0.06221%0.213CC..EExtended strand (participates in β ladder)trans-74.6151.3176.400000112F455 R456G444-F455 CarbonylContact O-C 3.26Å; G444-F455 WeakPolarHBondContact O-CA 3.32Å; G444-R456 PolarHBondContact O-N 3.44Å
445Y98.8Very high97.4Very high85 Ų8537.1 Ų37.133%0.33320%0.198SC..EExtended strand (participates in β ladder)trans-139.5154.3167.275.2-94.6000109.9A428 P429 K432 N453 F454A428-Y445 HydrophobicContact CB-CD2 4.27Å; A428-Y445 HydrophobicContact CB-CG 4.04Å; P429-Y445 HydrophobicContact CB-CE2 4.29Å; P429-Y445 HydrophobicContact CG-CD2 4.42Å; P429-Y445 HydrophobicContact CG-CE2 3.68Å; K432-Y445 HydrophobicContact CB-CD1 3.64Å; K432-Y445 HydrophobicContact CB-CE1 3.52Å; K432-Y445 HydrophobicContact CG-CD1 3.84Å; K432-Y445 HydrophobicContact CG-CE1 3.61Å; Y445-N453 HydrophobicContact CD2-CB 4Å; Y445-F454 WeakPolarHBondContact CA-O 3.25Å; Y445-F454 VanDerWaalsContact CB-O 3.3Å; Y445-F454 WeakPolarHBondContact CB-O 3.35Å
446Q98.6Very high97.4Very high32 Ų3238 Ų3815%0.1520%0.202CC..EExtended strand (participates in β ladder)trans-163.5158.1175.866-67.3-45.100110.5V239 F454V239-Q446 HydrophobicContact CG1-CG 4.29Å; V239-Q446 HydrophobicContact CG2-CG 4.27Å; Q446-F454 PolarHBondContact N-O 2.86Å; Q446-F454 VanDerWaalsContact N-O 3.11Å; Q446-F454 PolarHBondContact O-N 3.47Å; Q446-F454 VanDerWaalsContact O-N 3.14Å
447P97.9Very high97.3Very high72 Ų7236.3 Ų36.347%0.46819%0.193SC..EExtended strand (participates in β ladder)trans-80.3160163.934.2-30.3000109.7N453P447-N453 WeakPolarHBondContact CD-OD1 3.48Å; P447-N453 VanDerWaalsContact N-OD1 3.08Å
448H96.2Very high97.3Very high28 Ų2830.4 Ų30.413%0.1317%0.168CC..EExtended strand (participates in β ladder)trans-157.3133.1177.3-174.860.1000111.5E179 G450 Q451 F454E179-H448 IonicContact OE1-CE1 3.12Å; E179-H448 PolarHBondContact OE1-CE1 3.03Å; E179-H448 IonicContact OE1-NE2 3.21Å; E179-H448 PolarHBondContact OE1-NE2 3.1Å; E179-H448 IonicContact OE2-CE1 2.88Å; E179-H448 PolarHBondContact OE2-CE1 2.99Å; E179-H448 IonicContact OE2-ND1 2.68Å; E179-H448 IonicContact OE2-NE2 3.53Å; E179-H448 PolarHBondContact OE2-NE2 3.45Å; E179-H448 VanDerWaalsContact OE2-NE2 3.14Å; H448-G450 VanDerWaalsContact C-N 3.26Å; H448-G450 PolarHBondContact O-N 3.36Å; H448-Q451 WeakPolarHBondContact O-CB 3.47Å; H448-Q451 VanDerWaalsContact O-CG 3.31Å; H448-Q451 WeakPolarHBondContact O-CG 3.44Å; H448-Q451 PolarHBondContact O-N 3.39Å; H448-F454 HydrophobicContact CB-CE1 3.51Å; H448-F454 HydrophobicContact CB-CZ 3.44Å; H448-F454 VanDerWaalsContact CB-CZ 3.44Å
449R89.4Confident97.2Very high93 Ų9325.6 Ų25.635%0.35115%0.147SC..THydrogen-bonded Turntrans47.144179.4-71.3178.7-179.8-138-10.8114.3Q178 E179 S203 D204 Q451Q178-R449 VanDerWaalsContact OE1-NH2 3.13Å; E179-R449 IonicContact OE1-CZ 3.72Å; E179-R449 IonicContact OE1-NE 2.87Å; E179-R449 PolarHBondContact OE1-NE 3.19Å; E179-R449 IonicContact OE1-NH2 3.84Å; E179-R449 PolarHBondContact OE1-NH2 3.13Å; S203-R449 PolarHBondContact O-NH1 3.11Å; S203-R449 PolarHBondContact OG-NH2 3.26Å; D204-R449 PolarHBondContact O-NH1 3.29Å; R449-Q451 PolarHBondContact O-N 3.46Å
450G89.9Confident97.2Very high87 Ų8725.8 Ų25.890%0.89715%0.147SC*.THydrogen-bonded Turntrans75.1-0.6-179.300000115.1H448H448-G450 VanDerWaalsContact C-N 3.26Å; H448-G450 PolarHBondContact O-N 3.36Å
451Q95Very high96.7Very high65 Ų6525.2 Ų25.230%0.30414%0.144SC..EExtended strand (participates in β ladder)trans-76.9148.7173.2-53.5178.313.500111.4W405 H448 R449W405-Q451 HydrophobicContact CZ2-CB 3.95Å; W405-Q451 HydrophobicContact CZ2-CG 4.5Å; W405-Q451 VanDerWaalsContact CZ2-OE1 3.23Å; H448-Q451 WeakPolarHBondContact O-CB 3.47Å; H448-Q451 VanDerWaalsContact O-CG 3.31Å; H448-Q451 WeakPolarHBondContact O-CG 3.44Å; H448-Q451 PolarHBondContact O-N 3.39Å; R449-Q451 PolarHBondContact O-N 3.46Å
452A97.9Very high96.4Very high5 Ų526.5 Ų26.54%0.04115%0.152CC..EExtended strand (participates in β ladder)trans-55.7156.817300000112.5W405 Q421 L424 H425 F454W405-A452 PolarHBondContact NE1-O 3.28Å; W405-A452 VanDerWaalsContact NE1-O 3.07Å; Q421-A452 WeakPolarHBondContact O-CB 3.38Å; L424-A452 HydrophobicContact CB-CB 4.27Å; L424-A452 HydrophobicContact CD2-CB 4.36Å; L424-A452 HydrophobicContact CG-CB 4.29Å; H425-A452 HydrophobicContact CB-CB 4Å; A452-F454 WeakPolarHBondContact O-CD1 3.22Å; A452-F454 PolarHBondContact O-N 3.08Å
453N98.8Very high95.8Very high10 Ų1030 Ų305%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-51.6123.8176.9-71.9-37.6000111.6W405 H425 A428 Y445 P447W405-N453 PolarHBondContact NE1-O 3.45Å; H425-N453 PolarHBondContact CD2-ND2 3Å; H425-N453 VanDerWaalsContact CE1-CG 3.48Å; H425-N453 PolarHBondContact CE1-ND2 3.42Å; H425-N453 VanDerWaalsContact CE1-ND2 3.29Å; H425-N453 PolarHBondContact CE1-OD1 2.84Å; H425-N453 PolarHBondContact ND1-N 2.96Å; H425-N453 PolarHBondContact NE2-ND2 3.27Å; H425-N453 WeakPolarHBondContact O-CB 3.41Å; H425-N453 PolarHBondContact O-ND2 3.02Å; A428-N453 HydrophobicContact CB-CB 4.09Å; Y445-N453 HydrophobicContact CD2-CB 4Å; P447-N453 WeakPolarHBondContact CD-OD1 3.48Å; P447-N453 VanDerWaalsContact N-OD1 3.08Å
454F98.9Very high95.5Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-121.9158.317251.9-94000110.8V239 V394 C403 F404 W405 Y445 Q446 H448 A452V239-F454 HydrophobicContact CG1-CE2 3.85Å; V239-F454 HydrophobicContact CG1-CZ 3.89Å; V394-F454 HydrophobicContact CG2-CB 3.94Å; V394-F454 HydrophobicContact CG2-CD1 3.95Å; V394-F454 HydrophobicContact CG2-CD2 3.85Å; V394-F454 HydrophobicContact CG2-CE1 4.37Å; V394-F454 HydrophobicContact CG2-CE2 4.27Å; V394-F454 HydrophobicContact CG2-CG 3.67Å; C403-F454 HydrophobicContact CB-CD2 3.83Å; C403-F454 HydrophobicContact CB-CE2 3.74Å; F404-F454 WeakPolarHBondContact O-CB 3.31Å; W405-F454 HydrophobicContact CD2-CB 4.16Å; W405-F454 HydrophobicContact CG-CB 4.06Å; W405-F454 HydrophobicContact CZ2-CB 4.43Å; W405-F454 AromaticContact CZ2-CD1 3.96Å; W405-F454 HydrophobicContact CZ2-CD1 3.96Å; Y445-F454 WeakPolarHBondContact CA-O 3.25Å; Y445-F454 VanDerWaalsContact CB-O 3.3Å; Y445-F454 WeakPolarHBondContact CB-O 3.35Å; Q446-F454 PolarHBondContact N-O 2.86Å; Q446-F454 VanDerWaalsContact N-O 3.11Å; Q446-F454 PolarHBondContact O-N 3.47Å; Q446-F454 VanDerWaalsContact O-N 3.14Å; H448-F454 HydrophobicContact CB-CE1 3.51Å; H448-F454 HydrophobicContact CB-CZ 3.44Å; H448-F454 VanDerWaalsContact CB-CZ 3.44Å; A452-F454 WeakPolarHBondContact O-CD1 3.22Å; A452-F454 PolarHBondContact O-N 3.08Å
455F98.9Very high95.3Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-74139.7171-66.5-71.7000110.7C403 F404 A428 V431 M435 V443 G444 I476C403-F455 VanDerWaalsContact CA-O 3.29Å; C403-F455 WeakPolarHBondContact CA-O 3.41Å; F404-F455 HydrophobicContact CD1-CB 4.44Å; F404-F455 HydrophobicContact CD2-CB 4.42Å; F404-F455 HydrophobicContact CD2-CD2 4.43Å; F404-F455 HydrophobicContact CE1-CB 4.08Å; F404-F455 HydrophobicContact CE2-CB 4.05Å; F404-F455 AromaticContact CE2-CD2 3.99Å; F404-F455 HydrophobicContact CE2-CD2 3.99Å; F404-F455 HydrophobicContact CE2-CG 4.35Å; F404-F455 HydrophobicContact CZ-CB 3.87Å; F404-F455 HydrophobicContact CZ-CG 4.43Å; F404-F455 PolarHBondContact N-O 2.99Å; F404-F455 PolarHBondContact O-N 3.15Å; A428-F455 HydrophobicContact CB-CD2 4.48Å; A428-F455 HydrophobicContact CB-CE1 4.08Å; A428-F455 HydrophobicContact CB-CE2 4Å; A428-F455 HydrophobicContact CB-CZ 3.79Å; V431-F455 HydrophobicContact CB-CZ 3.89Å; V431-F455 HydrophobicContact CG1-CZ 3.74Å; M435-F455 HydrophobicContact CE-CE1 3.97Å; M435-F455 HydrophobicContact CE-CZ 4.46Å; V443-F455 HydrophobicContact CB-CD1 4.38Å; V443-F455 HydrophobicContact CG1-CB 4.23Å; V443-F455 HydrophobicContact CG1-CD1 4.13Å; G444-F455 CarbonylContact O-C 3.26Å; G444-F455 WeakPolarHBondContact O-CA 3.32Å; F455-I476 HydrophobicContact CD2-CD1 4.25Å; F455-I476 HydrophobicContact CE2-CD1 4.38Å; F455-I476 HydrophobicContact CE2-CG2 4.17Å; F455-I476 HydrophobicContact CG-CD1 4.44Å
456R98.7Very high95.2Very high19 Ų1934.3 Ų34.37%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-116.4101.3166.6-178.9-160.272.7-173.2-7.9108.6N80 T238 V239 G444 V458N80-R456 PolarHBondContact O-NH2 2.97Å; T238-R456 VanDerWaalsContact CG2-NH1 3.34Å; T238-R456 WeakPolarHBondContact O-CD 3.41Å; T238-R456 PolarHBondContact O-NH1 2.82Å; V239-R456 WeakPolarHBondContact O-CD 3.26Å; V239-R456 WeakPolarHBondContact O-CG 3.14Å; G444-R456 PolarHBondContact O-N 3.44Å; R456-V458 HydrophobicContact CG-CG2 4.22Å
457M97.8Very high95.2Very high0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans-83134.6172172.640.8-149.100109.8F79 L381 N401 V402 F404 V443 V459 M469F79-M457 HydrophobicContact CB-CE 4.18Å; F79-M457 HydrophobicContact CB-SD 3.28Å; F79-M457 WeakPolarHBondContact CB-SD 3.15Å; F79-M457 HydrophobicContact CD1-CE 3.25Å; F79-M457 HydrophobicContact CD1-SD 3.53Å; F79-M457 VanDerWaalsContact CD1-SD 3.53Å; F79-M457 HydrophobicContact CD2-CE 4.46Å; F79-M457 HydrophobicContact CD2-SD 3.91Å; F79-M457 HydrophobicContact CE1-CE 3.58Å; F79-M457 HydrophobicContact CE1-SD 4.26Å; F79-M457 HydrophobicContact CG-CE 3.73Å; F79-M457 HydrophobicContact CG-SD 3.3Å; F79-M457 WeakPolarHBondContact CG-SD 3.37Å; F79-M457 HydrophobicContact CZ-CE 4.31Å; L381-M457 HydrophobicContact CD2-CB 3.98Å; L381-M457 HydrophobicContact CD2-CG 3.29Å; N401-M457 CarbonylContact C-O 3.5Å; N401-M457 WeakPolarHBondContact CA-O 3.43Å; V402-M457 HydrophobicContact CB-CB 4.34Å; V402-M457 PolarHBondContact N-O 3Å; V402-M457 PolarHBondContact O-N 3.03Å; F404-M457 HydrophobicContact CE1-CB 3.91Å; V443-M457 HydrophobicContact CG1-CB 4.37Å; M457-V459 HydrophobicContact CE-CB 4.04Å; M457-V459 HydrophobicContact CE-CG2 3.35Å; M457-M469 HydrophobicContact CE-CE 3.98Å; M457-M469 HydrophobicContact CE-SD 4.14Å
458V98.1Very high95.1Very high1 Ų137.6 Ų37.61%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-125.4113-178.6-173.90000109.4L82 W266 A400 R456 I460L82-V458 HydrophobicContact CD2-CB 4.47Å; L82-V458 HydrophobicContact CD2-CG1 3.79Å; L82-V458 HydrophobicContact CD2-CG2 3.84Å; W266-V458 HydrophobicContact CH2-CG1 3.62Å; W266-V458 HydrophobicContact CZ2-CG1 3.53Å; A400-V458 WeakPolarHBondContact O-CA 3.15Å; R456-V458 HydrophobicContact CG-CG2 4.22Å; V458-I460 HydrophobicContact CG1-CD1 3.92Å; V458-I460 HydrophobicContact CG1-CG1 4.01Å
459V97.3Very high95.1Very high1 Ų136.3 Ų36.31%0.00619%0.191CC..  trans-90124.7179.1-169.10000110.3A374 M377 A378 A400 M457 M469A374-V459 HydrophobicContact CB-CG1 4.22Å; M377-V459 HydrophobicContact CB-CG1 3.86Å; A378-V459 HydrophobicContact CB-CG2 3.99Å; A400-V459 HydrophobicContact CB-CB 4.43Å; A400-V459 VanDerWaalsContact CB-O 3.28Å; A400-V459 WeakPolarHBondContact CB-O 3.43Å; A400-V459 PolarHBondContact O-N 3.28Å; M457-V459 HydrophobicContact CE-CB 4.04Å; M457-V459 HydrophobicContact CE-CG2 3.35Å; V459-M469 HydrophobicContact CG2-SD 4.19Å
460I96.9Very high95.5Very high5 Ų533.7 Ų33.73%0.02618%0.184CC..  trans-136.4-61.3180-64.4170.3000110.9L82 Y83 A84 W266 M296 M298 V458L82-I460 WeakPolarHBondContact O-CD1 3.05Å; Y83-I460 VanDerWaalsContact CA-CD1 3.49Å; A84-I460 HydrophobicContact CB-CB 4.43Å; W266-I460 HydrophobicContact CH2-CD1 3.79Å; W266-I460 HydrophobicContact CH2-CG1 3.62Å; W266-I460 HydrophobicContact CZ3-CD1 3.93Å; W266-I460 HydrophobicContact CZ3-CG1 4.1Å; M296-I460 HydrophobicContact SD-CG1 4.48Å; M298-I460 HydrophobicContact CG-CG2 3.59Å; M298-I460 HydrophobicContact SD-CG2 4.23Å; V458-I460 HydrophobicContact CG1-CD1 3.92Å; V458-I460 HydrophobicContact CG1-CG1 4.01Å
461S89Confident95.9Very high8 Ų832.4 Ų32.46%0.05615%0.154CC..  trans-62.8130.8-166.7175.30000111.8Q463 V464S461-Q463 PolarHBondContact O-N 2.93Å; S461-Q463 VanDerWaalsContact O-N 3.15Å; S461-Q463 WeakPolarHBondContact OG-CB 3.47Å; S461-Q463 PolarHBondContact OG-N 2.89Å; S461-V464 WeakPolarHBondContact O-CB 3.33Å; S461-V464 WeakPolarHBondContact O-CG2 3.22Å; S461-V464 PolarHBondContact O-N 2.95Å; S461-V464 VanDerWaalsContact O-N 3.13Å
462P89.9Confident96Very high26 Ų2629.3 Ų29.317%0.16914%0.139CC..THydrogen-bonded Turntrans-70.5-6174.832.4-37000112.2M298 R370 R373 V464M298-P462 WeakPolarHBondContact SD-CD 3.36Å; M298-P462 HydrophobicContact SD-CG 4.17Å; R370-P462 HydrophobicContact CG-CB 4.11Å; R370-P462 HydrophobicContact CG-CG 4.47Å; R373-P462 PolarHBondContact NH1-O 3.32Å; R373-P462 PolarHBondContact NH2-O 3.32Å; P462-V464 VanDerWaalsContact C-N 3.3Å
463Q87.8Confident96.1Very high87 Ų8729 Ų2941%0.40714%0.137SC..THydrogen-bonded Turntrans-78-18.6172.7-61.7179.2-15.900112.2S461 S465S461-Q463 PolarHBondContact O-N 2.93Å; S461-Q463 VanDerWaalsContact O-N 3.15Å; S461-Q463 WeakPolarHBondContact OG-CB 3.47Å; S461-Q463 PolarHBondContact OG-N 2.89Å; Q463-S465 PolarHBondContact O-N 2.87Å
464V91.6Very high96.1Very high2 Ų232.7 Ų32.71%0.01216%0.157CC..  trans-68.2128.5-179.6177.10000110.2F79 R373 S461 P462 D468 M469F79-V464 HydrophobicContact CE1-CG1 4.36Å; F79-V464 HydrophobicContact CE1-CG2 3.81Å; F79-V464 HydrophobicContact CZ-CG1 4.42Å; F79-V464 HydrophobicContact CZ-CG2 4.26Å; R373-V464 PolarHBondContact NH2-O 3.03Å; S461-V464 WeakPolarHBondContact O-CB 3.33Å; S461-V464 WeakPolarHBondContact O-CG2 3.22Å; S461-V464 PolarHBondContact O-N 2.95Å; S461-V464 VanDerWaalsContact O-N 3.13Å; P462-V464 VanDerWaalsContact C-N 3.3Å; V464-D468 HydrophobicContact CG1-CB 4.13Å; V464-M469 HydrophobicContact CG1-CE 3.34Å; V464-M469 HydrophobicContact CG1-CG 4.37Å; V464-M469 HydrophobicContact CG1-SD 4.1Å
465S94.4Very high96.1Very high34 Ų3433.3 Ų33.324%0.23816%0.159CC..  trans-108.3174177.173.90000111.4Q463 Q467 D468 M469Q463-S465 PolarHBondContact O-N 2.87Å; S465-Q467 VanDerWaalsContact C-N 3.28Å; S465-Q467 PolarHBondContact O-N 2.96Å; S465-Q467 PolarHBondContact OG-N 3.25Å; S465-D468 WeakPolarHBondContact CB-OD2 3.31Å; S465-D468 PolarHBondContact N-OD2 3.29Å; S465-D468 PolarHBondContact O-N 2.84Å; S465-D468 PolarHBondContact OG-N 2.82Å; S465-D468 PolarHBondContact OG-OD2 3.39Å; S465-M469 PolarHBondContact O-N 3.41Å
466R97Very high96.1Very high146 Ų14633.3 Ų33.355%0.55116%0.159SC*.Hα-helixtrans-61.8-38.2171.6-69.7-178.2-178.1173.10.9112M377 Y380 D468 M469 D470M377-R466 HydrophobicContact CE-CG 4.06Å; M377-R466 HydrophobicContact SD-CG 3.96Å; Y380-R466 HydrophobicContact CD1-CB 4.37Å; Y380-R466 HydrophobicContact CD1-CG 4.04Å; Y380-R466 HydrophobicContact CD2-CG 4.19Å; Y380-R466 HydrophobicContact CE1-CB 3.79Å; Y380-R466 HydrophobicContact CE1-CG 3.9Å; Y380-R466 HydrophobicContact CE2-CB 4.42Å; Y380-R466 HydrophobicContact CE2-CG 4.04Å; Y380-R466 HydrophobicContact CG-CG 4.19Å; R466-D468 PolarHBondContact O-N 2.93Å; R466-M469 WeakPolarHBondContact O-CA 3.41Å; R466-M469 WeakPolarHBondContact O-CB 3.19Å; R466-M469 PolarHBondContact O-N 3.19Å; R466-D470 PolarHBondContact O-N 2.97Å
467Q97Very high96.1Very high155 Ų15535.7 Ų35.772%0.72417%0.171SC*.Hα-helixtrans-60.6-35.5177.5-65.7173.8-10.500111.7S465 M469 D470 F471S465-Q467 VanDerWaalsContact C-N 3.28Å; S465-Q467 PolarHBondContact O-N 2.96Å; S465-Q467 PolarHBondContact OG-N 3.25Å; Q467-M469 VanDerWaalsContact C-N 3.34Å; Q467-D470 PolarHBondContact O-N 3.2Å; Q467-F471 VanDerWaalsContact O-CB 3.27Å; Q467-F471 WeakPolarHBondContact O-CB 3.47Å; Q467-F471 PolarHBondContact O-N 2.72Å
468D96.3Very high96.1Very high18 Ų1838.2 Ų38.210%0.09619%0.189CC..Hα-helixtrans-68.8-34.2175.1-58.2-60.6000112H77 V464 S465 R466 V472H77-D468 IonicContact CD2-OD1 3Å; H77-D468 PolarHBondContact CD2-OD1 3.3Å; H77-D468 IonicContact CE1-OD1 3.31Å; H77-D468 IonicContact NE2-OD1 2.75Å; H77-D468 PolarHBondContact NE2-OD1 3.15Å; V464-D468 HydrophobicContact CG1-CB 4.13Å; S465-D468 WeakPolarHBondContact CB-OD2 3.31Å; S465-D468 PolarHBondContact N-OD2 3.29Å; S465-D468 PolarHBondContact O-N 2.84Å; S465-D468 PolarHBondContact OG-N 2.82Å; S465-D468 PolarHBondContact OG-OD2 3.39Å; R466-D468 PolarHBondContact O-N 2.93Å; D468-V472 WeakPolarHBondContact O-CG2 3.42Å; D468-V472 PolarHBondContact O-N 3.45Å; D468-V472 VanDerWaalsContact O-N 3.14Å
469M97.2Very high96.1Very high1 Ų139 Ų391%0.00519%0.193CC..Hα-helixtrans-70.6-41.6174.7-60.5-64.482.400111.6F79 Y380 L381 M457 V459 V464 S465 R466 Q467 F471 V472 L473F79-M469 HydrophobicContact CE1-CE 3.81Å; F79-M469 HydrophobicContact CE2-CE 4.15Å; F79-M469 HydrophobicContact CZ-CE 3.42Å; F79-M469 VanDerWaalsContact CZ-CE 3.42Å; Y380-M469 HydrophobicContact CD1-CB 4Å; Y380-M469 HydrophobicContact CD1-CG 4.25Å; Y380-M469 HydrophobicContact CE1-CB 3.95Å; L381-M469 HydrophobicContact CB-SD 4.27Å; L381-M469 HydrophobicContact CD1-CB 4.21Å; L381-M469 HydrophobicContact CD2-SD 4.23Å; M457-M469 HydrophobicContact CE-CE 3.98Å; M457-M469 HydrophobicContact CE-SD 4.14Å; V459-M469 HydrophobicContact CG2-SD 4.19Å; V464-M469 HydrophobicContact CG1-CE 3.34Å; V464-M469 HydrophobicContact CG1-CG 4.37Å; V464-M469 HydrophobicContact CG1-SD 4.1Å; S465-M469 PolarHBondContact O-N 3.41Å; R466-M469 WeakPolarHBondContact O-CA 3.41Å; R466-M469 WeakPolarHBondContact O-CB 3.19Å; R466-M469 PolarHBondContact O-N 3.19Å; Q467-M469 VanDerWaalsContact C-N 3.34Å; M469-F471 VanDerWaalsContact C-N 3.34Å; M469-V472 PolarHBondContact O-N 3.05Å; M469-L473 PolarHBondContact O-N 3.25Å
470D98.1Very high96.2Very high37 Ų3739 Ų3920%0.19819%0.193CC..Hα-helixtrans-62.3-44.7175.3-57.7-31.3000110.4Y380 R466 Q467 V472 L473 D474Y380-D470 WeakPolarHBondContact CE1-OD1 3.41Å; Y380-D470 PolarHBondContact OH-OD1 2.82Å; Y380-D470 PolarHBondContact OH-OD2 3.33Å; R466-D470 PolarHBondContact O-N 2.97Å; Q467-D470 PolarHBondContact O-N 3.2Å; D470-V472 VanDerWaalsContact C-N 3.31Å; D470-V472 PolarHBondContact O-N 3.49Å; D470-L473 PolarHBondContact O-N 2.65Å; D470-L473 VanDerWaalsContact O-N 3.14Å; D470-D474 PolarHBondContact O-N 3.27Å
471F98.2Very high96.3Very high60 Ų6044.2 Ų44.226%0.26322%0.216SC..Hα-helixtrans-56-42.1175.1170.5-99.8000112.4H77 M441 Q467 M469 L473 D474 E475H77-F471 HydrophobicContact CB-CE1 4.44Å; H77-F471 AromaticContact CE1-CD1 3.47Å; H77-F471 VanDerWaalsContact CE1-CD1 3.47Å; H77-F471 WeakPolarHBondContact CE1-CD1 3.36Å; H77-F471 AromaticContact CE1-CE1 3.55Å; H77-F471 AromaticContact CG-CD1 3.95Å; H77-F471 AromaticContact CG-CE1 3.82Å; H77-F471 AromaticContact ND1-CD1 3.63Å; H77-F471 AromaticContact ND1-CE1 3.28Å; H77-F471 VanDerWaalsContact ND1-CE1 3.28Å; H77-F471 WeakPolarHBondContact ND1-CE1 3.45Å; H77-F471 AromaticContact NE2-CD1 3.75Å; M441-F471 HydrophobicContact CB-CE1 4.4Å; Q467-F471 VanDerWaalsContact O-CB 3.27Å; Q467-F471 WeakPolarHBondContact O-CB 3.47Å; Q467-F471 PolarHBondContact O-N 2.72Å; M469-F471 VanDerWaalsContact C-N 3.34Å; F471-L473 VanDerWaalsContact C-N 3.31Å; F471-L473 PolarHBondContact O-N 3.3Å; F471-D474 PolarHBondContact O-N 3.48Å; F471-E475 HydrophobicContact CE1-CB 4.35Å; F471-E475 HydrophobicContact CE1-CG 4.5Å; F471-E475 HydrophobicContact CE2-CB 4.25Å; F471-E475 HydrophobicContact CZ-CB 4.12Å; F471-E475 HydrophobicContact CZ-CG 4.11Å; F471-E475 WeakPolarHBondContact O-CB 3.46Å; F471-E475 PolarHBondContact O-N 2.91Å
472V97.5Very high96.7Very high0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-58-45.3177.6166.80000111.2F79 M441 V443 D468 M469 D470 I476F79-V472 HydrophobicContact CD2-CG2 3.86Å; F79-V472 HydrophobicContact CE2-CG2 3.38Å; F79-V472 HydrophobicContact CZ-CG2 4.28Å; M441-V472 HydrophobicContact SD-CB 4.49Å; M441-V472 HydrophobicContact SD-CG1 4.4Å; M441-V472 HydrophobicContact SD-CG2 4.26Å; V443-V472 HydrophobicContact CG2-CG1 4.41Å; D468-V472 WeakPolarHBondContact O-CG2 3.42Å; D468-V472 PolarHBondContact O-N 3.45Å; D468-V472 VanDerWaalsContact O-N 3.14Å; M469-V472 PolarHBondContact O-N 3.05Å; D470-V472 VanDerWaalsContact C-N 3.31Å; D470-V472 PolarHBondContact O-N 3.49Å; V472-I476 HydrophobicContact CG1-CD1 3.96Å; V472-I476 WeakPolarHBondContact O-CB 3.41Å; V472-I476 VanDerWaalsContact O-CG1 3.26Å; V472-I476 WeakPolarHBondContact O-CG1 3.27Å; V472-I476 PolarHBondContact O-N 3.06Å
473L98.6Very high97Very high0 Ų050.8 Ų50.80%025%0.248CC..Hα-helixtrans-69.6-42.7179.7-60.9-178.4000111.4L381 E384 I385 R388 F391 F404 M469 D470 F471 E475 I476 H477L381-L473 HydrophobicContact CD1-CD1 3.9Å; L381-L473 HydrophobicContact CD1-CD2 3.89Å; L381-L473 HydrophobicContact CD1-CG 3.8Å; E384-L473 HydrophobicContact CB-CD1 3.86Å; I385-L473 HydrophobicContact CD1-CD2 4.32Å; I385-L473 HydrophobicContact CG1-CD1 4.11Å; I385-L473 HydrophobicContact CG1-CD2 3.7Å; R388-L473 VanDerWaalsContact NH1-CB 3.31Å; F391-L473 HydrophobicContact CD1-CD2 3.94Å; F391-L473 HydrophobicContact CE1-CD2 3.77Å; F391-L473 HydrophobicContact CZ-CB 4.28Å; F391-L473 HydrophobicContact CZ-CD2 4.34Å; F391-L473 VanDerWaalsContact CZ-O 3.28Å; F391-L473 WeakPolarHBondContact CZ-O 3.45Å; F404-L473 HydrophobicContact CE2-CD2 4.4Å; F404-L473 HydrophobicContact CZ-CD2 4.4Å; M469-L473 PolarHBondContact O-N 3.25Å; D470-L473 PolarHBondContact O-N 2.65Å; D470-L473 VanDerWaalsContact O-N 3.14Å; F471-L473 VanDerWaalsContact C-N 3.31Å; F471-L473 PolarHBondContact O-N 3.3Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-E475 PolarHBondContact O-N 3.09Å; L473-I476 PolarHBondContact O-N 2.9Å; L473-H477 WeakPolarHBondContact O-CB 3.42Å; L473-H477 PolarHBondContact O-N 3.08Å
474D98.7Very high97.5Very high87 Ų8749 Ų4947%0.46524%0.241SC..Hα-helixtrans-61.2-43.3176.8-68.6-25000111.8R388 D470 F471 H477 S478R388-D474 IonicContact CZ-OD1 2.95Å; R388-D474 IonicContact NH1-OD1 3.56Å; R388-D474 PolarHBondContact NH1-OD1 2.85Å; R388-D474 IonicContact NH2-OD1 2.78Å; D470-D474 PolarHBondContact O-N 3.27Å; F471-D474 PolarHBondContact O-N 3.48Å; D474-H477 PolarHBondContact O-N 3.15Å; D474-S478 WeakPolarHBondContact O-CB 3.34Å; D474-S478 PolarHBondContact O-N 2.67Å
475E98.7Very high97.8Very high12 Ų1251.5 Ų51.56%0.05625%0.253CS..Hα-helixtrans-71.1-42.6-178.9-176.568.7178.200111.1K438 S440 M441 F471 L473 H477 S478 L479K438-E475 VanDerWaalsContact CD-OE1 3.22Å; K438-E475 WeakPolarHBondContact CD-OE1 3.31Å; K438-E475 VanDerWaalsContact CE-OE1 3.22Å; K438-E475 WeakPolarHBondContact CE-OE1 3.31Å; K438-E475 IonicContact NZ-OE1 3.72Å; K438-E475 PolarHBondContact NZ-OE1 3.33Å; K438-E475 IonicContact NZ-OE2 2.65Å; K438-E475 PolarHBondContact NZ-OE2 3.44Å; S440-E475 WeakPolarHBondContact CB-OE1 3.2Å; S440-E475 PolarHBondContact OG-OE1 3.18Å; M441-E475 HydrophobicContact CE-CB 3.78Å; M441-E475 HydrophobicContact CE-CG 3.48Å; M441-E475 VanDerWaalsContact CE-CG 3.48Å; M441-E475 HydrophobicContact CG-CG 4.27Å; M441-E475 HydrophobicContact SD-CB 4.08Å; M441-E475 HydrophobicContact SD-CG 3.93Å; F471-E475 HydrophobicContact CE1-CB 4.35Å; F471-E475 HydrophobicContact CE1-CG 4.5Å; F471-E475 HydrophobicContact CE2-CB 4.25Å; F471-E475 HydrophobicContact CZ-CB 4.12Å; F471-E475 HydrophobicContact CZ-CG 4.11Å; F471-E475 WeakPolarHBondContact O-CB 3.46Å; F471-E475 PolarHBondContact O-N 2.91Å; L473-E475 VanDerWaalsContact C-N 3.34Å; L473-E475 PolarHBondContact O-N 3.09Å; E475-H477 VanDerWaalsContact C-N 3.3Å; E475-H477 PolarHBondContact O-N 3.16Å; E475-S478 PolarHBondContact O-N 2.86Å; E475-L479 HydrophobicContact CG-CD1 3.84Å; E475-L479 HydrophobicContact CG-CG 4.32Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.27Å
476I98.8Very high98Very high0 Ų052.4 Ų52.40%025%0.253CS..Hα-helixtrans-58.7-45.6173.4-73.2174.3000110.2F391 F404 Y406 V431 M441 F455 V472 L473 L479 G480F391-I476 HydrophobicContact CE1-CB 4.09Å; F391-I476 HydrophobicContact CE1-CG2 3.69Å; F391-I476 HydrophobicContact CZ-CB 4.22Å; F391-I476 HydrophobicContact CZ-CG2 3.98Å; F404-I476 HydrophobicContact CE2-CD1 3.73Å; F404-I476 HydrophobicContact CZ-CD1 3.69Å; Y406-I476 HydrophobicContact CD1-CG2 4.23Å; Y406-I476 HydrophobicContact CD2-CG2 3.87Å; Y406-I476 HydrophobicContact CG-CG2 3.62Å; V431-I476 HydrophobicContact CG1-CG2 4.31Å; M441-I476 HydrophobicContact CE-CB 4.44Å; M441-I476 HydrophobicContact CE-CD1 4.43Å; M441-I476 HydrophobicContact CE-CG1 3.46Å; M441-I476 VanDerWaalsContact CE-CG1 3.46Å; F455-I476 HydrophobicContact CD2-CD1 4.25Å; F455-I476 HydrophobicContact CE2-CD1 4.38Å; F455-I476 HydrophobicContact CE2-CG2 4.17Å; F455-I476 HydrophobicContact CG-CD1 4.44Å; V472-I476 HydrophobicContact CG1-CD1 3.96Å; V472-I476 WeakPolarHBondContact O-CB 3.41Å; V472-I476 VanDerWaalsContact O-CG1 3.26Å; V472-I476 WeakPolarHBondContact O-CG1 3.27Å; V472-I476 PolarHBondContact O-N 3.06Å; L473-I476 PolarHBondContact O-N 2.9Å; I476-L479 PolarHBondContact O-N 2.9Å; I476-G480 PolarHBondContact O-N 3.28Å
477H98.7Very high98.1Very high69 Ų6946.9 Ų46.932%0.31924%0.236SC..Hα-helixtrans-61.4-49176.6176.658.6000111.4F391 Y406 L473 D474 E475 L479 G480 K481F391-H477 HydrophobicContact CE2-CB 4.23Å; F391-H477 HydrophobicContact CZ-CB 4.16Å; Y406-H477 HydrophobicContact CE2-CB 4.06Å; Y406-H477 AromaticContact CE2-ND1 3.73Å; Y406-H477 AromaticContact CZ-ND1 3.73Å; Y406-H477 PolarHBondContact OH-ND1 3.46Å; Y406-H477 PolarHBondContact OH-O 3.47Å; L473-H477 WeakPolarHBondContact O-CB 3.42Å; L473-H477 PolarHBondContact O-N 3.08Å; D474-H477 PolarHBondContact O-N 3.15Å; E475-H477 VanDerWaalsContact C-N 3.3Å; E475-H477 PolarHBondContact O-N 3.16Å; H477-L479 PolarHBondContact O-N 3.41Å; H477-G480 PolarHBondContact O-N 2.78Å; H477-G480 VanDerWaalsContact O-N 3.11Å; H477-K481 VanDerWaalsContact O-CB 3.28Å; H477-K481 WeakPolarHBondContact O-CB 3.43Å; H477-K481 PolarHBondContact O-N 3.35Å
478S98.7Very high98.1Very high54 Ų5440.2 Ų40.238%0.37821%0.205SC..Hα-helixtrans-59.6-35.7179.5-175.40000112.9D474 E475D474-S478 WeakPolarHBondContact O-CB 3.34Å; D474-S478 PolarHBondContact O-N 2.67Å; E475-S478 PolarHBondContact O-N 2.86Å
479L98.8Very high98.3Very high17 Ų1741.7 Ų41.79%0.08921%0.213CC..Hα-helixtrans-82.7-13.7-179.6-65.6172.7000113.3V431 R434 M435 K438 M441 E475 I476 H477V431-L479 HydrophobicContact CG1-CB 4.1Å; R434-L479 HydrophobicContact CB-CB 4.39Å; R434-L479 HydrophobicContact CB-CD2 3.97Å; R434-L479 WeakPolarHBondContact CD-O 3.39Å; R434-L479 PolarHBondContact NH1-O 3.16Å; M435-L479 HydrophobicContact CB-CD1 3.61Å; K438-L479 HydrophobicContact CD-CD2 4.14Å; M441-L479 HydrophobicContact CE-CD1 4.19Å; E475-L479 HydrophobicContact CG-CD1 3.84Å; E475-L479 HydrophobicContact CG-CG 4.32Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.27Å; I476-L479 PolarHBondContact O-N 2.9Å; H477-L479 PolarHBondContact O-N 3.41Å
480G98.5Very high98.3Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-122.5-6-175.900000115.6Y406 P408 I476 H477 D482 L483Y406-G480 WeakPolarHBondContact CE1-O 3.47Å; P408-G480 WeakPolarHBondContact CB-O 3.47Å; I476-G480 PolarHBondContact O-N 3.28Å; H477-G480 PolarHBondContact O-N 2.78Å; H477-G480 VanDerWaalsContact O-N 3.11Å; G480-D482 PolarHBondContact O-N 3.15Å; G480-L483 WeakPolarHBondContact O-CB 3.35Å; G480-L483 WeakPolarHBondContact O-CG 3.48Å; G480-L483 PolarHBondContact O-N 3.36Å; G480-L483 VanDerWaalsContact O-N 3.17Å
481K98.3Very high98.4Very high116 Ų11645.2 Ų45.250%0.50423%0.23SC..THydrogen-bonded Turntrans-64.4-20.5-173.763.8179.6-179-178.70115.3Y406 P409 H477Y406-K481 WeakPolarHBondContact OH-CA 3.43Å; Y406-K481 PolarHBondContact OH-N 3.27Å; P409-K481 WeakPolarHBondContact CD-O 3.24Å; P409-K481 WeakPolarHBondContact CG-O 3.47Å; H477-K481 VanDerWaalsContact O-CB 3.28Å; H477-K481 WeakPolarHBondContact O-CB 3.43Å; H477-K481 PolarHBondContact O-N 3.35Å
482D98.1Very high98.4Very high101 Ų10143.9 Ų43.954%0.5423%0.227SC..THydrogen-bonded Turntrans-99.26.717963.2-50.4000113.2R434 G480R434-D482 IonicContact CZ-OD1 3.68Å; R434-D482 IonicContact CZ-OD2 3.77Å; R434-D482 IonicContact NH1-OD1 3.97Å; R434-D482 PolarHBondContact NH1-OD1 3.15Å; R434-D482 IonicContact NH1-OD2 3.2Å; R434-D482 PolarHBondContact NH1-OD2 3.01Å; R434-D482 IonicContact NH2-OD1 2.72Å; R434-D482 IonicContact NH2-OD2 2.85Å; R434-D482 PolarHBondContact NH2-OD2 3.1Å; G480-D482 PolarHBondContact O-N 3.15Å
483L97.1Very high98.4Very high71 Ų7147.9 Ų47.937%0.37225%0.248SC..  trans-79.30177.3-61.5179.4000113.2P408 S410 V427 V430 V431 G480P408-L483 HydrophobicContact CB-CB 3.88Å; P408-L483 HydrophobicContact CG-CB 4.09Å; S410-L483 VanDerWaalsContact CB-O 3.25Å; S410-L483 WeakPolarHBondContact CB-O 3.2Å; S410-L483 VanDerWaalsContact OG-C 3.29Å; S410-L483 PolarHBondContact OG-O 3.41Å; S410-L483 PolarHBondContact OG-OXT 2.89Å; V427-L483 HydrophobicContact CG1-CD1 3.98Å; V430-L483 HydrophobicContact CB-CD1 4.35Å; V430-L483 HydrophobicContact CB-CD2 4.37Å; V430-L483 HydrophobicContact CG1-CD1 4.28Å; V430-L483 HydrophobicContact CG1-CD2 3.62Å; V431-L483 HydrophobicContact CG2-CD1 3.68Å; G480-L483 WeakPolarHBondContact O-CB 3.35Å; G480-L483 WeakPolarHBondContact O-CG 3.48Å; G480-L483 PolarHBondContact O-N 3.36Å; G480-L483 VanDerWaalsContact O-N 3.17Å

Retrieved 483 of 483 residues in 947.6 ms (Link to these results)

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