A0A060YEN9_ONCMY Loading...

Phospholipid/glycerol acyltransferase domain-containing protein

AlphaFold DB , UniProt , Accession A0A060YEN9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 377 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
1M61.6Low86.7Confident204 Ų20487.4 Ų87.4100%1.00547%0.47SS*.  0132.30-76.7-176.7-79.300107.9
2G85.9Confident86.7Confident51 Ų5188.8 Ų88.853%0.52648%0.476SS..  trans-70.516017600000112.3I4 A5 Y6G2-I4 VanDerWaalsContact C-N 3.28Å; G2-I4 PolarHBondContact O-N 3.4Å; G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 2.7Å; G2-Y6 PolarHBondContact O-N 3.46Å
3L90.3Very high87.1Confident130 Ų13084.2 Ų84.268%0.68145%0.453SS*.Hα-helixtrans-51.6-43.9-178.1179.262.7000112.9A5 Y6 I7L3-A5 PolarHBondContact O-N 2.62Å; L3-Y6 WeakPolarHBondContact O-CB 3.45Å; L3-Y6 PolarHBondContact O-N 2.84Å; L3-I7 HydrophobicContact CD1-CD1 4.24Å; L3-I7 HydrophobicContact CD1-CG1 4.47Å; L3-I7 HydrophobicContact CG-CD1 4.03Å; L3-I7 WeakPolarHBondContact O-CG1 3.4Å; L3-I7 PolarHBondContact O-N 3.21Å
4I89.6Confident87.3Confident119 Ų11980.4 Ų80.461%0.6143%0.431SS*.Hα-helixtrans-62.6-43.1178.3-63.6173.1000111.3G2 Y6 I7 K8G2-I4 VanDerWaalsContact C-N 3.28Å; G2-I4 PolarHBondContact O-N 3.4Å; I4-Y6 VanDerWaalsContact C-N 3.3Å; I4-Y6 PolarHBondContact O-N 3.28Å; I4-I7 PolarHBondContact O-N 2.79Å; I4-K8 HydrophobicContact CG2-CD 4.19Å; I4-K8 HydrophobicContact CG2-CG 4.49Å; I4-K8 WeakPolarHBondContact O-CG 3.28Å; I4-K8 PolarHBondContact O-N 2.98Å
5A89.3Confident87.3Confident45 Ų4578 Ų7837%0.37242%0.418SS..Hα-helixtrans-65.6-36.8179.100000111.5G2 L3 S9G2-A5 WeakPolarHBondContact O-CB 3.42Å; G2-A5 PolarHBondContact O-N 2.7Å; L3-A5 PolarHBondContact O-N 2.62Å; A5-S9 PolarHBondContact O-N 3.41Å
6Y89.9Confident87.6Confident130 Ų13076.4 Ų76.451%0.5141%0.409SS..Hα-helixtrans-64-46.4172.6175.8-104.8000111.8G2 L3 I4 K8 S9 L10G2-Y6 PolarHBondContact O-N 3.46Å; L3-Y6 WeakPolarHBondContact O-CB 3.45Å; L3-Y6 PolarHBondContact O-N 2.84Å; I4-Y6 VanDerWaalsContact C-N 3.3Å; I4-Y6 PolarHBondContact O-N 3.28Å; Y6-K8 VanDerWaalsContact C-N 3.31Å; Y6-K8 PolarHBondContact O-N 2.85Å; Y6-S9 PolarHBondContact O-N 3.23Å; Y6-S9 VanDerWaalsContact O-N 3.12Å; Y6-S9 PolarHBondContact O-OG 2.85Å; Y6-L10 HydrophobicContact CE1-CD1 4.44Å; Y6-L10 HydrophobicContact CE1-CD2 3.99Å; Y6-L10 HydrophobicContact CE1-CG 4.48Å; Y6-L10 HydrophobicContact CE2-CD2 4.22Å; Y6-L10 WeakPolarHBondContact O-CG 2.69Å; Y6-L10 PolarHBondContact O-N 3.06Å
7I92.1Very high88Confident73 Ų7372.9 Ų72.937%0.37439%0.391SS..Hα-helixtrans-59.2-42.7177.6-68.6167000111.3L3 I4 S9 L10 V13L3-I7 HydrophobicContact CD1-CD1 4.24Å; L3-I7 HydrophobicContact CD1-CG1 4.47Å; L3-I7 HydrophobicContact CG-CD1 4.03Å; L3-I7 WeakPolarHBondContact O-CG1 3.4Å; L3-I7 PolarHBondContact O-N 3.21Å; I4-I7 PolarHBondContact O-N 2.79Å; I7-S9 VanDerWaalsContact C-N 3.26Å; I7-S9 PolarHBondContact O-N 2.86Å; I7-L10 WeakPolarHBondContact O-CB 3.33Å; I7-L10 PolarHBondContact O-N 3.02Å; I7-L10 VanDerWaalsContact O-N 3.15Å; I7-V13 HydrophobicContact CG2-CG2 4.19Å
8K91.2Very high88.2Confident42 Ų4270.5 Ų70.518%0.18339%0.386CS..Hα-helixtrans-66.8-24.6178.9-67.3-179.1177.9175.20113.6I4 Y6 Q14 W68I4-K8 HydrophobicContact CG2-CD 4.19Å; I4-K8 HydrophobicContact CG2-CG 4.49Å; I4-K8 WeakPolarHBondContact O-CG 3.28Å; I4-K8 PolarHBondContact O-N 2.98Å; Y6-K8 VanDerWaalsContact C-N 3.31Å; Y6-K8 PolarHBondContact O-N 2.85Å; K8-Q14 PolarHBondContact O-NE2 3.29Å; K8-W68 HydrophobicContact CB-CZ2 3.8Å; K8-W68 HydrophobicContact CD-CD2 4.33Å; K8-W68 HydrophobicContact CD-CZ2 4.32Å; K8-W68 WeakPolarHBondContact CE-O 3.33Å; K8-W68 HydrophobicContact CG-CD2 4.39Å; K8-W68 HydrophobicContact CG-CH2 3.9Å; K8-W68 HydrophobicContact CG-CZ2 3.52Å; K8-W68 HydrophobicContact CG-CZ3 4.49Å; K8-W68 PolarHBondContact NZ-O 2.59Å
9S87.9Confident88.4Confident51 Ų5170.5 Ų70.536%0.35738%0.382SS..Hα-helixtrans-85.5-8.4175.872.60000113.4A5 Y6 I7 F11A5-S9 PolarHBondContact O-N 3.41Å; Y6-S9 PolarHBondContact O-N 3.23Å; Y6-S9 VanDerWaalsContact O-N 3.12Å; Y6-S9 PolarHBondContact O-OG 2.85Å; I7-S9 VanDerWaalsContact C-N 3.26Å; I7-S9 PolarHBondContact O-N 2.86Å; S9-F11 PolarHBondContact O-N 3.37Å
10L89.5Confident88.8Confident56 Ų5667 Ų6729%0.29336%0.363SS..  trans-67.5122177-64.3178.8000110.6Y6 I7 I12 V13 Q14Y6-L10 HydrophobicContact CE1-CD1 4.44Å; Y6-L10 HydrophobicContact CE1-CD2 3.99Å; Y6-L10 HydrophobicContact CE1-CG 4.48Å; Y6-L10 HydrophobicContact CE2-CD2 4.22Å; Y6-L10 WeakPolarHBondContact O-CG 2.69Å; Y6-L10 PolarHBondContact O-N 3.06Å; I7-L10 WeakPolarHBondContact O-CB 3.33Å; I7-L10 PolarHBondContact O-N 3.02Å; I7-L10 VanDerWaalsContact O-N 3.15Å; L10-I12 HydrophobicContact CB-CG2 4.2Å; L10-I12 PolarHBondContact O-N 3.3Å; L10-I12 VanDerWaalsContact O-N 3.15Å; L10-V13 HydrophobicContact CB-CB 4.37Å; L10-V13 HydrophobicContact CB-CG2 3.97Å; L10-V13 HydrophobicContact CD1-CG2 4.42Å; L10-V13 WeakPolarHBondContact O-CB 3.46Å; L10-V13 PolarHBondContact O-N 2.91Å; L10-Q14 PolarHBondContact O-N 3.1Å
11F85.8Confident89.1Confident60 Ų6065.4 Ų65.426%0.26335%0.353SS..Hα-helixtrans-55.3-35.6179.5-178.3-110000113S9 V13 Q14 L15 S349 R353S9-F11 PolarHBondContact O-N 3.37Å; F11-V13 VanDerWaalsContact C-N 3.33Å; F11-V13 PolarHBondContact O-N 3.47Å; F11-Q14 PolarHBondContact O-N 2.99Å; F11-L15 HydrophobicContact CD1-CD1 3.79Å; F11-L15 HydrophobicContact CD1-CG 4.11Å; F11-L15 HydrophobicContact CE1-CD1 3.37Å; F11-L15 HydrophobicContact CE1-CD2 4.12Å; F11-L15 HydrophobicContact CE1-CG 3.72Å; F11-L15 HydrophobicContact CE2-CD2 4.41Å; F11-L15 HydrophobicContact CE2-CG 4.34Å; F11-L15 HydrophobicContact CZ-CD1 3.97Å; F11-L15 HydrophobicContact CZ-CD2 3.82Å; F11-L15 HydrophobicContact CZ-CG 3.84Å; F11-L15 WeakPolarHBondContact O-CG 3.37Å; F11-L15 PolarHBondContact O-N 3.24Å; F11-S349 WeakPolarHBondContact CE1-OG 3.5Å; F11-R353 HydrophobicContact CE2-CG 4.37Å; F11-R353 HydrophobicContact CZ-CG 3.9Å
12I87.3Confident90.7Very high104 Ų10458.8 Ų58.853%0.53332%0.324SS..Hα-helixtrans-63.6-38.4177.1-171.460.3000112.3L10 L15 L16L10-I12 HydrophobicContact CB-CG2 4.2Å; L10-I12 PolarHBondContact O-N 3.3Å; L10-I12 VanDerWaalsContact O-N 3.15Å; I12-L15 HydrophobicContact CD1-CD1 4.46Å; I12-L15 WeakPolarHBondContact O-CB 3.32Å; I12-L15 PolarHBondContact O-N 3.2Å; I12-L16 WeakPolarHBondContact O-CG 3.45Å; I12-L16 PolarHBondContact O-N 2.68Å
13V91.3Very high91.2Very high30 Ų3058.2 Ų58.218%0.18231%0.31CS..Hα-helixtrans-67.7-42.3177.7175.90000109.9I7 L10 F11 L15 L16 V17 W68I7-V13 HydrophobicContact CG2-CG2 4.19Å; L10-V13 HydrophobicContact CB-CB 4.37Å; L10-V13 HydrophobicContact CB-CG2 3.97Å; L10-V13 HydrophobicContact CD1-CG2 4.42Å; L10-V13 WeakPolarHBondContact O-CB 3.46Å; L10-V13 PolarHBondContact O-N 2.91Å; F11-V13 VanDerWaalsContact C-N 3.33Å; F11-V13 PolarHBondContact O-N 3.47Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.06Å; V13-L16 PolarHBondContact O-N 3.38Å; V13-V17 WeakPolarHBondContact O-CG2 3.29Å; V13-V17 PolarHBondContact O-N 2.76Å; V13-W68 HydrophobicContact CG1-CH2 3.46Å; V13-W68 VanDerWaalsContact CG1-CH2 3.46Å; V13-W68 HydrophobicContact CG1-CZ2 3.84Å
14Q90.1Very high91.5Very high30 Ų3052 Ų5214%0.1428%0.277CS..Hα-helixtrans-62.9-38.5175.5-59.3175.6-9.700111.9K8 L10 F11 V17 G18 V244 S245K8-Q14 PolarHBondContact O-NE2 3.29Å; L10-Q14 PolarHBondContact O-N 3.1Å; F11-Q14 PolarHBondContact O-N 2.99Å; Q14-V17 PolarHBondContact O-N 2.73Å; Q14-G18 PolarHBondContact O-N 3.21Å; Q14-V244 HydrophobicContact CB-CG1 3.88Å; Q14-V244 HydrophobicContact CG-CG1 3.59Å; Q14-S245 PolarHBondContact NE2-OG 3.03Å
15L87.4Confident91.9Very high45 Ų4546.3 Ų46.324%0.23625%0.248CC..Hα-helixtrans-62.7-43.1173-79.4179.4000112.2F11 I12 V13 G18 F19 V352F11-L15 HydrophobicContact CD1-CD1 3.79Å; F11-L15 HydrophobicContact CD1-CG 4.11Å; F11-L15 HydrophobicContact CE1-CD1 3.37Å; F11-L15 HydrophobicContact CE1-CD2 4.12Å; F11-L15 HydrophobicContact CE1-CG 3.72Å; F11-L15 HydrophobicContact CE2-CD2 4.41Å; F11-L15 HydrophobicContact CE2-CG 4.34Å; F11-L15 HydrophobicContact CZ-CD1 3.97Å; F11-L15 HydrophobicContact CZ-CD2 3.82Å; F11-L15 HydrophobicContact CZ-CG 3.84Å; F11-L15 WeakPolarHBondContact O-CG 3.37Å; F11-L15 PolarHBondContact O-N 3.24Å; I12-L15 HydrophobicContact CD1-CD1 4.46Å; I12-L15 WeakPolarHBondContact O-CB 3.32Å; I12-L15 PolarHBondContact O-N 3.2Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.06Å; L15-G18 PolarHBondContact O-N 2.71Å; L15-F19 WeakPolarHBondContact O-CB 3.38Å; L15-F19 PolarHBondContact O-N 3.28Å; L15-V352 HydrophobicContact CD2-CB 4.22Å; L15-V352 HydrophobicContact CD2-CG1 3.84Å; L15-V352 HydrophobicContact CD2-CG2 4.33Å
16L92.3Very high92.3Very high52 Ų5248.2 Ų48.227%0.27225%0.252SS..Hα-helixtrans-64.8-42177.9-67.4172.7000111.6I12 V13 F19 V20 L319 L322I12-L16 WeakPolarHBondContact O-CG 3.45Å; I12-L16 PolarHBondContact O-N 2.68Å; V13-L16 PolarHBondContact O-N 3.38Å; L16-F19 WeakPolarHBondContact O-CB 3.32Å; L16-F19 PolarHBondContact O-N 3.05Å; L16-V20 WeakPolarHBondContact O-CG2 3.37Å; L16-V20 PolarHBondContact O-N 3.32Å; L16-L319 HydrophobicContact CB-CD2 4.37Å; L16-L319 HydrophobicContact CD2-CD2 4.01Å; L16-L322 HydrophobicContact CD2-CD2 4.18Å
17V93.8Very high92.7Very high17 Ų1745.2 Ų45.210%0.10324%0.244CC..Hα-helixtrans-60.3-47172.9169.50000110.9V13 Q14 F19 V20 F21 L64 F311V13-V17 WeakPolarHBondContact O-CG2 3.29Å; V13-V17 PolarHBondContact O-N 2.76Å; Q14-V17 PolarHBondContact O-N 2.73Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 3.36Å; V17-V20 PolarHBondContact O-N 3.06Å; V17-F21 PolarHBondContact O-N 3.27Å; V17-F21 VanDerWaalsContact O-N 3.07Å; V17-L64 HydrophobicContact CG1-CD1 3.98Å; V17-L64 HydrophobicContact CG1-CD2 3.65Å; V17-L64 HydrophobicContact CG1-CG 4.36Å; V17-F311 HydrophobicContact CG2-CZ 4.28Å
18G91.7Very high93Very high30 Ų3041.8 Ų41.831%0.30923%0.226SC..Hα-helixtrans-61.8-39.7176.700000112.6Q14 L15 F21 V22Q14-G18 PolarHBondContact O-N 3.21Å; L15-G18 PolarHBondContact O-N 2.71Å; G18-F21 PolarHBondContact O-N 3.08Å; G18-V22 WeakPolarHBondContact O-CB 3.38Å; G18-V22 VanDerWaalsContact O-CG2 3.28Å; G18-V22 WeakPolarHBondContact O-CG2 3.45Å; G18-V22 PolarHBondContact O-N 3.33Å
19F92.6Very high93.3Very high70 Ų7040 Ų4031%0.30722%0.219SC..Hα-helixtrans-60.1-47.7174.7171.8-93000111.4L15 L16 V17 F21 V22 V23 L318 L319 L322L15-F19 WeakPolarHBondContact O-CB 3.38Å; L15-F19 PolarHBondContact O-N 3.28Å; L16-F19 WeakPolarHBondContact O-CB 3.32Å; L16-F19 PolarHBondContact O-N 3.05Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 3.36Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 PolarHBondContact O-N 3Å; F19-V22 PolarHBondContact O-N 3.1Å; F19-V23 HydrophobicContact CD2-CG2 3.81Å; F19-V23 HydrophobicContact CE1-CG2 4.35Å; F19-V23 HydrophobicContact CE2-CG2 3.54Å; F19-V23 HydrophobicContact CG-CG2 4.33Å; F19-V23 HydrophobicContact CZ-CG2 3.84Å; F19-V23 WeakPolarHBondContact O-CB 3.41Å; F19-V23 WeakPolarHBondContact O-CG2 3.45Å; F19-V23 PolarHBondContact O-N 2.96Å; F19-L318 HydrophobicContact CE1-CB 4.06Å; F19-L319 HydrophobicContact CD1-CD2 3.79Å; F19-L319 HydrophobicContact CE1-CD2 4.18Å; F19-L322 HydrophobicContact CD1-CD2 4Å; F19-L322 HydrophobicContact CE1-CD2 3.75Å; F19-L322 HydrophobicContact CE2-CD2 4.4Å; F19-L322 HydrophobicContact CG-CD2 4.43Å; F19-L322 HydrophobicContact CZ-CD2 3.97Å
20V96.6Very high93.8Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-57.5-48.6176.5173.20000110.5L16 V17 S24 F311 W314 A315 L318 L319L16-V20 WeakPolarHBondContact O-CG2 3.37Å; L16-V20 PolarHBondContact O-N 3.32Å; V17-V20 PolarHBondContact O-N 3.06Å; V20-S24 WeakPolarHBondContact O-CB 3.39Å; V20-S24 PolarHBondContact O-N 3.4Å; V20-S24 PolarHBondContact O-OG 3.38Å; V20-F311 HydrophobicContact CB-CE2 4.29Å; V20-F311 HydrophobicContact CG1-CD2 4.24Å; V20-F311 HydrophobicContact CG1-CE2 3.89Å; V20-W314 HydrophobicContact CG1-CB 3.8Å; V20-A315 HydrophobicContact CG2-CB 4.28Å; V20-L318 HydrophobicContact CG1-CD1 4.42Å; V20-L319 HydrophobicContact CG2-CD1 3.96Å; V20-L319 HydrophobicContact CG2-CD2 3.8Å; V20-L319 HydrophobicContact CG2-CG 3.72Å
21F95.9Very high94.3Very high34 Ų3444.9 Ų44.915%0.14923%0.234CC..Hα-helixtrans-61.7-46.1179179.2-101.2000112.6V17 G18 F19 S24 G25 L57 Q60 L61 L131V17-F21 PolarHBondContact O-N 3.27Å; V17-F21 VanDerWaalsContact O-N 3.07Å; G18-F21 PolarHBondContact O-N 3.08Å; F19-F21 VanDerWaalsContact C-N 3.34Å; F19-F21 PolarHBondContact O-N 3Å; F21-S24 PolarHBondContact O-OG 2.89Å; F21-G25 PolarHBondContact O-N 2.88Å; F21-L57 HydrophobicContact CD2-CD1 3.92Å; F21-L57 HydrophobicContact CE2-CD1 3.44Å; F21-L57 VanDerWaalsContact CE2-CD1 3.44Å; F21-L57 HydrophobicContact CE2-CG 4.04Å; F21-L57 HydrophobicContact CZ-CD1 3.91Å; F21-L57 HydrophobicContact CZ-CG 4.37Å; F21-Q60 HydrophobicContact CD2-CB 4.16Å; F21-L61 HydrophobicContact CD2-CD2 4.26Å; F21-L61 HydrophobicContact CD2-CG 4.37Å; F21-L61 HydrophobicContact CE2-CD1 3.97Å; F21-L61 HydrophobicContact CE2-CD2 3.93Å; F21-L61 HydrophobicContact CE2-CG 3.73Å; F21-L61 HydrophobicContact CZ-CD1 4.01Å; F21-L61 HydrophobicContact CZ-CD2 4.23Å; F21-L61 HydrophobicContact CZ-CG 4.21Å; F21-L131 HydrophobicContact CE1-CD1 4.34Å
22V93.8Very high94.9Very high65 Ų6542 Ų4239%0.39422%0.221SC..Hα-helixtrans-67.1-50.4-177.2168.70000111.5G18 F19 G25 L26 L131G18-V22 WeakPolarHBondContact O-CB 3.38Å; G18-V22 VanDerWaalsContact O-CG2 3.28Å; G18-V22 WeakPolarHBondContact O-CG2 3.45Å; G18-V22 PolarHBondContact O-N 3.33Å; F19-V22 PolarHBondContact O-N 3.1Å; V22-G25 PolarHBondContact O-N 3.4Å; V22-L26 HydrophobicContact CG1-CD1 4.34Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 3.48Å; V22-L131 HydrophobicContact CB-CD1 4.18Å; V22-L131 HydrophobicContact CG1-CD1 4.22Å; V22-L131 HydrophobicContact CG2-CD1 4.03Å
23V95.9Very high95.4Very high39 Ų3941.9 Ų41.924%0.23622%0.221CC..Hα-helixtrans-71-41.9-175.31780000111.1F19 G25 L26 I27 L318F19-V23 HydrophobicContact CD2-CG2 3.81Å; F19-V23 HydrophobicContact CE1-CG2 4.35Å; F19-V23 HydrophobicContact CE2-CG2 3.54Å; F19-V23 HydrophobicContact CG-CG2 4.33Å; F19-V23 HydrophobicContact CZ-CG2 3.84Å; F19-V23 WeakPolarHBondContact O-CB 3.41Å; F19-V23 WeakPolarHBondContact O-CG2 3.45Å; F19-V23 PolarHBondContact O-N 2.96Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 2.91Å; V23-L26 PolarHBondContact O-N 2.92Å; V23-I27 HydrophobicContact CG1-CD1 4.15Å; V23-I27 WeakPolarHBondContact O-CG1 3.33Å; V23-I27 PolarHBondContact O-N 3.14Å; V23-I27 VanDerWaalsContact O-N 3.07Å; V23-L318 HydrophobicContact CB-CD1 4.07Å; V23-L318 HydrophobicContact CG1-CD1 4.14Å; V23-L318 HydrophobicContact CG1-CD2 3.81Å
24S98.2Very high95.7Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-61.8-40.9172.662.80000111.6V20 F21 L26 I27 I28 Q60 W314V20-S24 WeakPolarHBondContact O-CB 3.39Å; V20-S24 PolarHBondContact O-N 3.4Å; V20-S24 PolarHBondContact O-OG 3.38Å; F21-S24 PolarHBondContact O-OG 2.89Å; S24-L26 PolarHBondContact O-N 2.91Å; S24-I27 PolarHBondContact O-N 3.48Å; S24-I28 WeakPolarHBondContact O-CB 3.46Å; S24-I28 VanDerWaalsContact O-CG1 3.23Å; S24-I28 WeakPolarHBondContact O-CG1 3.3Å; S24-I28 PolarHBondContact O-N 3.02Å; S24-Q60 PolarHBondContact OG-NE2 2.98Å; S24-Q60 PolarHBondContact OG-OE1 2.88Å; S24-W314 VanDerWaalsContact CB-CD2 3.4Å; S24-W314 VanDerWaalsContact CB-CE3 3.47Å
25G97.4Very high96.1Very high0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-60.3-40.7175.300000113.3F21 V22 V23 I28 N29F21-G25 PolarHBondContact O-N 2.88Å; V22-G25 PolarHBondContact O-N 3.4Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 2.91Å; G25-I28 PolarHBondContact O-N 3.25Å; G25-N29 WeakPolarHBondContact O-CB 3.23Å; G25-N29 PolarHBondContact O-N 2.98Å
26L97.3Very high96.6Very high84 Ų8442.9 Ų42.944%0.4424%0.235SC..Hα-helixtrans-64.8-44.1175.8-72.6172.4000111.5V22 V23 S24 N29 F30 L131 W134V22-L26 HydrophobicContact CG1-CD1 4.34Å; V22-L26 WeakPolarHBondContact O-CG 3.48Å; V22-L26 PolarHBondContact O-N 3.48Å; V23-L26 PolarHBondContact O-N 2.92Å; S24-L26 PolarHBondContact O-N 2.91Å; L26-N29 PolarHBondContact O-N 2.92Å; L26-F30 WeakPolarHBondContact O-CB 3.5Å; L26-F30 PolarHBondContact O-N 3.49Å; L26-L131 HydrophobicContact CB-CD2 4.38Å; L26-L131 HydrophobicContact CD2-CD2 3.5Å; L26-L131 VanDerWaalsContact CD2-CD2 3.5Å; L26-L131 HydrophobicContact CG-CD2 3.63Å; L26-W134 HydrophobicContact CD2-CZ3 4.31Å
27I98.3Very high96.8Very high67 Ų6745.2 Ų45.234%0.34425%0.251SS..Hα-helixtrans-61-47175.6-66.6165.8000109.9V23 S24 F30 I31 W314 L318V23-I27 HydrophobicContact CG1-CD1 4.15Å; V23-I27 WeakPolarHBondContact O-CG1 3.33Å; V23-I27 PolarHBondContact O-N 3.14Å; V23-I27 VanDerWaalsContact O-N 3.07Å; S24-I27 PolarHBondContact O-N 3.48Å; I27-F30 WeakPolarHBondContact O-CB 3.47Å; I27-F30 PolarHBondContact O-N 2.69Å; I27-I31 HydrophobicContact CG2-CD1 4.05Å; I27-I31 WeakPolarHBondContact O-CG1 3.46Å; I27-I31 PolarHBondContact O-N 3.48Å; I27-W314 HydrophobicContact CB-CH2 4.39Å; I27-W314 HydrophobicContact CD1-CZ3 4.06Å; I27-W314 HydrophobicContact CG2-CH2 3.99Å; I27-W314 HydrophobicContact CG2-CZ3 4.36Å; I27-L318 HydrophobicContact CD1-CD2 4.05Å
28I98.6Very high97Very high1 Ų146.6 Ų46.61%0.00526%0.258CS..Hα-helixtrans-59.7-49.4178.2-72.5166.2000110.4S24 G25 F30 I31 Q32 L53 L57 W314S24-I28 WeakPolarHBondContact O-CB 3.46Å; S24-I28 VanDerWaalsContact O-CG1 3.23Å; S24-I28 WeakPolarHBondContact O-CG1 3.3Å; S24-I28 PolarHBondContact O-N 3.02Å; G25-I28 PolarHBondContact O-N 3.25Å; I28-F30 VanDerWaalsContact C-N 3.29Å; I28-F30 PolarHBondContact O-N 3.32Å; I28-I31 WeakPolarHBondContact O-CB 3.29Å; I28-I31 PolarHBondContact O-N 3.39Å; I28-I31 VanDerWaalsContact O-N 3.11Å; I28-Q32 HydrophobicContact CG2-CG 4.28Å; I28-Q32 WeakPolarHBondContact O-CG 3.35Å; I28-Q32 PolarHBondContact O-N 3.12Å; I28-L53 HydrophobicContact CG2-CB 4.01Å; I28-L57 HydrophobicContact CD1-CB 4.12Å; I28-W314 HydrophobicContact CD1-CZ2 3.96Å; I28-W314 HydrophobicContact CG1-CH2 4.4Å; I28-W314 HydrophobicContact CG1-CZ2 3.92Å
29N98.4Very high97.2Very high6 Ų649.1 Ų49.13%0.03226%0.258CS..Hα-helixtrans-63-35.3178.7-76171.8000113.1G25 L26 I31 Q32 L33 L131 W134 T135G25-N29 WeakPolarHBondContact O-CB 3.23Å; G25-N29 PolarHBondContact O-N 2.98Å; L26-N29 PolarHBondContact O-N 2.92Å; N29-I31 VanDerWaalsContact C-N 3.34Å; N29-Q32 PolarHBondContact ND2-OE1 2.9Å; N29-Q32 PolarHBondContact O-N 3.29Å; N29-L33 WeakPolarHBondContact O-CB 3.2Å; N29-L33 PolarHBondContact O-N 3.24Å; N29-L131 WeakPolarHBondContact OD1-CA 3.36Å; N29-L131 PolarHBondContact OD1-O 2.93Å; N29-W134 HydrophobicContact CB-CE3 4.25Å; N29-T135 PolarHBondContact ND2-OG1 3.16Å
30F98.3Very high97.4Very high137 Ų13750.9 Ų50.960%0.60128%0.277SS*.Hα-helixtrans-61.6-45.1172.8178.6-102.8000111L26 I27 I28 Q32 L33 C34L26-F30 WeakPolarHBondContact O-CB 3.5Å; L26-F30 PolarHBondContact O-N 3.49Å; I27-F30 WeakPolarHBondContact O-CB 3.47Å; I27-F30 PolarHBondContact O-N 2.69Å; I28-F30 VanDerWaalsContact C-N 3.29Å; I28-F30 PolarHBondContact O-N 3.32Å; F30-Q32 PolarHBondContact O-N 3.19Å; F30-L33 WeakPolarHBondContact O-CB 3.19Å; F30-L33 PolarHBondContact O-N 3.27Å; F30-C34 PolarHBondContact O-N 3.37Å; F30-C34 PolarHBondContact O-SG 3.48Å; F30-C34 VanDerWaalsContact O-SG 3.32Å
31I98.5Very high97.4Very high71 Ų7157.6 Ų57.636%0.36431%0.311SS..Hα-helixtrans-62.2-43.8174.8-61.5164.5000110.6I27 I28 N29 L33 C34 T35 L53I27-I31 HydrophobicContact CG2-CD1 4.05Å; I27-I31 WeakPolarHBondContact O-CG1 3.46Å; I27-I31 PolarHBondContact O-N 3.48Å; I28-I31 WeakPolarHBondContact O-CB 3.29Å; I28-I31 PolarHBondContact O-N 3.39Å; I28-I31 VanDerWaalsContact O-N 3.11Å; N29-I31 VanDerWaalsContact C-N 3.34Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 2.85Å; I31-C34 WeakPolarHBondContact O-CA 3.24Å; I31-C34 WeakPolarHBondContact O-CB 3.25Å; I31-C34 PolarHBondContact O-N 3.35Å; I31-C34 VanDerWaalsContact O-N 3.07Å; I31-T35 WeakPolarHBondContact O-CG2 3.28Å; I31-T35 PolarHBondContact O-N 2.75Å; I31-L53 HydrophobicContact CB-CD1 4.39Å; I31-L53 HydrophobicContact CB-CD2 4.45Å; I31-L53 HydrophobicContact CG2-CD1 3.79Å; I31-L53 HydrophobicContact CG2-CD2 4.03Å
32Q98.6Very high97.5Very high0 Ų059.3 Ų59.30%032%0.322CS..Hα-helixtrans-60.2-40176.6-66.9-176.1-74.400112I28 N29 F30 C34 T35 N50 L53 F138I28-Q32 HydrophobicContact CG2-CG 4.28Å; I28-Q32 WeakPolarHBondContact O-CG 3.35Å; I28-Q32 PolarHBondContact O-N 3.12Å; N29-Q32 PolarHBondContact ND2-OE1 2.9Å; N29-Q32 PolarHBondContact O-N 3.29Å; F30-Q32 PolarHBondContact O-N 3.19Å; Q32-C34 VanDerWaalsContact C-N 3.31Å; Q32-C34 PolarHBondContact O-N 2.66Å; Q32-T35 WeakPolarHBondContact O-CB 3.19Å; Q32-T35 PolarHBondContact O-N 3Å; Q32-T35 PolarHBondContact O-OG1 2.99Å; Q32-N50 WeakPolarHBondContact CB-OD1 3.46Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.26Å; Q32-N50 PolarHBondContact NE2-OD1 2.99Å; Q32-L53 HydrophobicContact CB-CD1 4.46Å; Q32-L53 HydrophobicContact CG-CB 4Å; Q32-L53 HydrophobicContact CG-CD1 3.55Å; Q32-L53 HydrophobicContact CG-CG 4.39Å; Q32-F138 HydrophobicContact CB-CB 4.19Å; Q32-F138 HydrophobicContact CB-CD1 4.31Å; Q32-F138 HydrophobicContact CB-CD2 3.34Å; Q32-F138 HydrophobicContact CB-CE2 3.66Å; Q32-F138 HydrophobicContact CB-CG 3.71Å; Q32-F138 HydrophobicContact CB-CZ 4.26Å; Q32-F138 HydrophobicContact CG-CD2 4.14Å
33L98.3Very high97.6Very high101 Ų10160.8 Ų60.853%0.52932%0.32SS..Hα-helixtrans-59.6-43.2173179.963.9000111.2N29 F30 I31 T35 C36 F138N29-L33 WeakPolarHBondContact O-CB 3.2Å; N29-L33 PolarHBondContact O-N 3.24Å; F30-L33 WeakPolarHBondContact O-CB 3.19Å; F30-L33 PolarHBondContact O-N 3.27Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 2.85Å; L33-T35 PolarHBondContact O-N 3.31Å; L33-C36 VanDerWaalsContact O-CB 3.27Å; L33-C36 WeakPolarHBondContact O-CB 3.49Å; L33-C36 PolarHBondContact O-N 3.33Å; L33-C36 VanDerWaalsContact O-N 3.14Å; L33-C36 PolarHBondContact O-SG 3.27Å; L33-C36 VanDerWaalsContact O-SG 3.41Å; L33-F138 HydrophobicContact CB-CZ 3.96Å; L33-F138 HydrophobicContact CD1-CE1 4.48Å; L33-F138 HydrophobicContact CD1-CZ 4.26Å
34C98.3Very high97.7Very high66 Ų6661.5 Ų61.545%0.44632%0.321SS..Hα-helixtrans-61.5-31.8174-62.20000112.3F30 I31 Q32 C36 V37F30-C34 PolarHBondContact O-N 3.37Å; F30-C34 PolarHBondContact O-SG 3.48Å; F30-C34 VanDerWaalsContact O-SG 3.32Å; I31-C34 WeakPolarHBondContact O-CA 3.24Å; I31-C34 WeakPolarHBondContact O-CB 3.25Å; I31-C34 PolarHBondContact O-N 3.35Å; I31-C34 VanDerWaalsContact O-N 3.07Å; Q32-C34 VanDerWaalsContact C-N 3.31Å; Q32-C34 PolarHBondContact O-N 2.66Å; C34-C36 PolarHBondContact O-N 2.73Å; C34-V37 WeakPolarHBondContact O-CG2 3.5Å
35T98.1Very high97.7Very high11 Ų1164.9 Ų64.97%0.06734%0.339CS..Hα-helixtrans-65.9-17177.271.20000113.7I31 Q32 L33 V37 L38 Y46 I49 N50 L53I31-T35 WeakPolarHBondContact O-CG2 3.28Å; I31-T35 PolarHBondContact O-N 2.75Å; Q32-T35 WeakPolarHBondContact O-CB 3.19Å; Q32-T35 PolarHBondContact O-N 3Å; Q32-T35 PolarHBondContact O-OG1 2.99Å; L33-T35 PolarHBondContact O-N 3.31Å; T35-V37 PolarHBondContact O-N 3.24Å; T35-L38 WeakPolarHBondContact O-CA 3.26Å; T35-L38 VanDerWaalsContact O-CB 3.25Å; T35-L38 WeakPolarHBondContact O-CB 3.28Å; T35-L38 PolarHBondContact O-N 3.08Å; T35-Y46 VanDerWaalsContact O-CD2 3.31Å; T35-Y46 WeakPolarHBondContact O-CD2 3.33Å; T35-Y46 WeakPolarHBondContact OG1-CD2 3.24Å; T35-Y46 VanDerWaalsContact OG1-CE2 3.23Å; T35-Y46 WeakPolarHBondContact OG1-CE2 3.4Å; T35-I49 HydrophobicContact CG2-CG2 3.72Å; T35-N50 PolarHBondContact OG1-ND2 2.97Å; T35-L53 HydrophobicContact CG2-CD1 4.22Å
36C97.5Very high97.8Very high49 Ų4965.4 Ų65.433%0.33134%0.341SS..G310 helixtrans-55.8-26.3179.6-70.30000113.7L33 C34 L38 W39 P40L33-C36 VanDerWaalsContact O-CB 3.27Å; L33-C36 WeakPolarHBondContact O-CB 3.49Å; L33-C36 PolarHBondContact O-N 3.33Å; L33-C36 VanDerWaalsContact O-N 3.14Å; L33-C36 PolarHBondContact O-SG 3.27Å; L33-C36 VanDerWaalsContact O-SG 3.41Å; C34-C36 PolarHBondContact O-N 2.73Å; C36-L38 PolarHBondContact O-N 3.07Å; C36-W39 VanDerWaalsContact O-CB 3.31Å; C36-W39 WeakPolarHBondContact O-CB 3.41Å; C36-W39 PolarHBondContact O-N 3.08Å; C36-W39 VanDerWaalsContact O-N 3.15Å; C36-P40 WeakPolarHBondContact O-CD 3.32Å
37V97.5Very high97.8Very high102 Ų10261.4 Ų61.462%0.61832%0.32SS*.G310 helixtrans-63.8-25.5174.2-54.20000112.9C34 T35 I41C34-V37 WeakPolarHBondContact O-CG2 3.5Å; T35-V37 PolarHBondContact O-N 3.24Å; V37-I41 WeakPolarHBondContact O-CD1 3.2Å
38L97.3Very high97.8Very high46 Ų4662.8 Ų62.824%0.24132%0.323CS..G310 helixtrans-79-23.8176.9-58.3176.5000112.1T35 C36 I41 D42 L45 I49T35-L38 WeakPolarHBondContact O-CA 3.26Å; T35-L38 VanDerWaalsContact O-CB 3.25Å; T35-L38 WeakPolarHBondContact O-CB 3.28Å; T35-L38 PolarHBondContact O-N 3.08Å; C36-L38 PolarHBondContact O-N 3.07Å; L38-I41 PolarHBondContact O-N 2.9Å; L38-D42 CarbonylContact O-C 3.52Å; L38-D42 VanDerWaalsContact O-C 3.25Å; L38-D42 PolarHBondContact O-N 2.89Å; L38-L45 HydrophobicContact CD1-CD2 4.42Å; L38-L45 HydrophobicContact CD1-CG 4.41Å; L38-I49 HydrophobicContact CD1-CD1 3.58Å
39W95.4Very high97.8Very high82 Ų8265.4 Ų65.431%0.31134%0.337SS..THydrogen-bonded Turntrans-53.2-49.6-175.5-179.6-96.7000114.2C36 I41 R43 Y46 R47 E140C36-W39 VanDerWaalsContact O-CB 3.31Å; C36-W39 WeakPolarHBondContact O-CB 3.41Å; C36-W39 PolarHBondContact O-N 3.08Å; C36-W39 VanDerWaalsContact O-N 3.15Å; W39-I41 VanDerWaalsContact C-N 3.34Å; W39-R43 HydrophobicContact CD2-CG 4.37Å; W39-R43 HydrophobicContact CE3-CG 3.95Å; W39-R43 HydrophobicContact CH2-CG 3.61Å; W39-R43 HydrophobicContact CZ2-CG 4.1Å; W39-R43 HydrophobicContact CZ3-CG 3.56Å; W39-Y46 HydrophobicContact CB-CD2 4.22Å; W39-Y46 HydrophobicContact CD2-CD1 4.49Å; W39-Y46 AromaticContact CE3-CD1 3.21Å; W39-Y46 HydrophobicContact CE3-CD1 3.21Å; W39-Y46 HydrophobicContact CE3-CD2 4.17Å; W39-Y46 AromaticContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE2 4.3Å; W39-Y46 AromaticContact CE3-CG 3.64Å; W39-Y46 HydrophobicContact CE3-CG 3.64Å; W39-Y46 AromaticContact CE3-CZ 3.91Å; W39-Y46 AromaticContact CZ3-CD1 3.44Å; W39-Y46 HydrophobicContact CZ3-CD1 3.44Å; W39-Y46 VanDerWaalsContact CZ3-CD1 3.44Å; W39-Y46 AromaticContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CG 4.28Å; W39-R47 HydrophobicContact CZ3-CG 4.46Å; W39-E140 HydrophobicContact CH2-CG 4.05Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.28Å; W39-E140 HydrophobicContact CZ3-CG 4.19Å; W39-E140 WeakPolarHBondContact CZ3-OE2 3.41Å
40P96.6Very high97.8Very high108 Ų10865.1 Ų65.170%0.70134%0.335SS*.THydrogen-bonded Turntrans-77.3-16177.830.7-35.8000114.3C36C36-P40 WeakPolarHBondContact O-CD 3.32Å
41I97.4Very high97.8Very high140 Ų14058.6 Ų58.672%0.71831%0.307SS*.THydrogen-bonded Turntrans-94.3-53.9-174.6-57173.9000110.6V37 L38 W39V37-I41 WeakPolarHBondContact O-CD1 3.2Å; L38-I41 PolarHBondContact O-N 2.9Å; W39-I41 VanDerWaalsContact C-N 3.34Å
42D97.6Very high97.8Very high70 Ų7061.7 Ų61.737%0.37431%0.314SS..  trans-144.788.2178.9-173.2-17.7000109.4L38 Q44 L45 Y46L38-D42 CarbonylContact O-C 3.52Å; L38-D42 VanDerWaalsContact O-C 3.25Å; L38-D42 PolarHBondContact O-N 2.89Å; D42-Q44 PolarHBondContact O-N 3.15Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.36Å; D42-Q44 PolarHBondContact OD1-N 2.8Å; D42-L45 HydrophobicContact CB-CB 3.92Å; D42-L45 PolarHBondContact O-N 3.1Å; D42-L45 PolarHBondContact OD1-N 2.86Å; D42-L45 WeakPolarHBondContact OD2-CB 3.45Å; D42-Y46 PolarHBondContact O-N 3.29Å
43R96.7Very high97.8Very high96 Ų9663 Ų6336%0.36232%0.321SS..Hα-helixtrans-57.7-32.4177.1-17617071.9-167.22.9112.5W39 Y46 R47 D164W39-R43 HydrophobicContact CD2-CG 4.37Å; W39-R43 HydrophobicContact CE3-CG 3.95Å; W39-R43 HydrophobicContact CH2-CG 3.61Å; W39-R43 HydrophobicContact CZ2-CG 4.1Å; W39-R43 HydrophobicContact CZ3-CG 3.56Å; R43-Y46 WeakPolarHBondContact O-CB 3.34Å; R43-R47 VanDerWaalsContact O-CG 3.27Å; R43-R47 WeakPolarHBondContact O-CG 3.25Å; R43-R47 PolarHBondContact O-N 2.86Å; R43-D164 IonicContact CZ-OD2 2.89Å; R43-D164 IonicContact NE-OD2 3.36Å; R43-D164 IonicContact NH2-OD1 3.67Å; R43-D164 IonicContact NH2-OD2 2.87Å; R43-D164 PolarHBondContact NH2-OD2 3.08Å
44Q97.9Very high97.8Very high54 Ų5458.2 Ų58.225%0.25230%0.295SS..Hα-helixtrans-74.9-41.3-177-64.2-62.1-19.500110.8D42 R47 K48 D164 P166D42-Q44 PolarHBondContact O-N 3.15Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.36Å; D42-Q44 PolarHBondContact OD1-N 2.8Å; Q44-R47 PolarHBondContact O-N 2.83Å; Q44-K48 WeakPolarHBondContact O-CG 3.49Å; Q44-K48 PolarHBondContact O-N 3.3Å; Q44-D164 PolarHBondContact NE2-O 2.71Å; Q44-D164 PolarHBondContact NE2-OD2 3.05Å; Q44-D164 PolarHBondContact OE1-O 3.05Å; Q44-P166 VanDerWaalsContact OE1-CB 3.22Å
45L98.2Very high97.8Very high72 Ų7257.1 Ų57.138%0.37728%0.282SS..Hα-helixtrans-62.6-44.2171.4-178.860.3000111.6L38 D42 R47 K48 I49L38-L45 HydrophobicContact CD1-CD2 4.42Å; L38-L45 HydrophobicContact CD1-CG 4.41Å; D42-L45 HydrophobicContact CB-CB 3.92Å; D42-L45 PolarHBondContact O-N 3.1Å; D42-L45 PolarHBondContact OD1-N 2.86Å; D42-L45 WeakPolarHBondContact OD2-CB 3.45Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 3.35Å; L45-K48 PolarHBondContact O-N 3.13Å; L45-I49 HydrophobicContact CD1-CD1 3.84Å; L45-I49 HydrophobicContact CD1-CG1 4.07Å; L45-I49 HydrophobicContact CG-CD1 3.81Å; L45-I49 HydrophobicContact CG-CG1 4.43Å; L45-I49 WeakPolarHBondContact O-CG1 3.27Å; L45-I49 PolarHBondContact O-N 3.02Å
46Y98.4Very high97.9Very high10 Ų1057.4 Ų57.44%0.03929%0.285CS..Hα-helixtrans-51.4-50.6172.8169.9-86000111.6T35 W39 D42 R43 I49 N50 F138T35-Y46 VanDerWaalsContact O-CD2 3.31Å; T35-Y46 WeakPolarHBondContact O-CD2 3.33Å; T35-Y46 WeakPolarHBondContact OG1-CD2 3.24Å; T35-Y46 VanDerWaalsContact OG1-CE2 3.23Å; T35-Y46 WeakPolarHBondContact OG1-CE2 3.4Å; W39-Y46 HydrophobicContact CB-CD2 4.22Å; W39-Y46 HydrophobicContact CD2-CD1 4.49Å; W39-Y46 AromaticContact CE3-CD1 3.21Å; W39-Y46 HydrophobicContact CE3-CD1 3.21Å; W39-Y46 HydrophobicContact CE3-CD2 4.17Å; W39-Y46 AromaticContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE1 3.37Å; W39-Y46 HydrophobicContact CE3-CE2 4.3Å; W39-Y46 AromaticContact CE3-CG 3.64Å; W39-Y46 HydrophobicContact CE3-CG 3.64Å; W39-Y46 AromaticContact CE3-CZ 3.91Å; W39-Y46 AromaticContact CZ3-CD1 3.44Å; W39-Y46 HydrophobicContact CZ3-CD1 3.44Å; W39-Y46 VanDerWaalsContact CZ3-CD1 3.44Å; W39-Y46 AromaticContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CE1 3.51Å; W39-Y46 HydrophobicContact CZ3-CG 4.28Å; D42-Y46 PolarHBondContact O-N 3.29Å; R43-Y46 WeakPolarHBondContact O-CB 3.34Å; Y46-I49 PolarHBondContact O-N 3.18Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.41Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.27Å; Y46-N50 VanDerWaalsContact CZ-ND2 3.31Å; Y46-N50 WeakPolarHBondContact O-CB 3.35Å; Y46-N50 PolarHBondContact O-N 2.98Å; Y46-N50 PolarHBondContact O-ND2 2.85Å; Y46-F138 WeakPolarHBondContact CE1-O 3.36Å; Y46-F138 WeakPolarHBondContact OH-CA 3.24Å; Y46-F138 PolarHBondContact OH-O 3.46Å
47R98.3Very high97.9Very high0 Ų055.1 Ų55.10%027%0.269CS..Hα-helixtrans-64.1-43.2-178.1-75.6171.3173.9175.9-6112.1W39 R43 Q44 L45 N50 T51 E140 Q161 D164 Y165 P166W39-R47 HydrophobicContact CZ3-CG 4.46Å; R43-R47 VanDerWaalsContact O-CG 3.27Å; R43-R47 WeakPolarHBondContact O-CG 3.25Å; R43-R47 PolarHBondContact O-N 2.86Å; Q44-R47 PolarHBondContact O-N 2.83Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 3.35Å; R47-N50 PolarHBondContact O-N 3.46Å; R47-T51 WeakPolarHBondContact O-CB 3.17Å; R47-T51 PolarHBondContact O-N 3.18Å; R47-T51 PolarHBondContact O-OG1 3.35Å; R47-E140 VanDerWaalsContact CG-OE2 3.27Å; R47-E140 WeakPolarHBondContact CG-OE2 3.48Å; R47-E140 IonicContact CZ-OE1 2.71Å; R47-E140 IonicContact CZ-OE2 2.7Å; R47-E140 IonicContact NE-OE1 3.65Å; R47-E140 IonicContact NE-OE2 2.71Å; R47-E140 PolarHBondContact NE-OE2 2.92Å; R47-E140 IonicContact NH2-OE1 3.55Å; R47-E140 PolarHBondContact NH2-OE1 2.82Å; R47-E140 IonicContact NH2-OE2 3.21Å; R47-Q161 PolarHBondContact NH2-O 2.67Å; R47-D164 IonicContact CZ-OD1 2.62Å; R47-D164 PolarHBondContact NH1-O 2.82Å; R47-D164 IonicContact NH1-OD1 3.7Å; R47-D164 PolarHBondContact NH1-OD1 3.26Å; R47-D164 IonicContact NH1-OD2 3.88Å; R47-D164 PolarHBondContact NH1-OD2 3.13Å; R47-D164 IonicContact NH2-OD1 2.68Å; R47-Y165 HydrophobicContact CB-CE2 4.12Å; R47-Y165 HydrophobicContact CG-CD2 4.25Å; R47-Y165 HydrophobicContact CG-CE2 3.71Å; R47-P166 HydrophobicContact CB-CG 3.77Å
48K98.4Very high97.9Very high96 Ų9650.3 Ų50.342%0.41724%0.24SC..Hα-helixtrans-61.7-47.4177.5-73.9175.1-178.7178.30111.4Q44 L45 T51 R52 P166Q44-K48 WeakPolarHBondContact O-CG 3.49Å; Q44-K48 PolarHBondContact O-N 3.3Å; L45-K48 PolarHBondContact O-N 3.13Å; K48-T51 WeakPolarHBondContact O-CB 3.3Å; K48-T51 PolarHBondContact O-N 3.07Å; K48-R52 WeakPolarHBondContact O-CG 3.36Å; K48-R52 PolarHBondContact O-N 2.91Å; K48-P166 HydrophobicContact CG-CB 4.15Å; K48-P166 HydrophobicContact CG-CG 3.87Å
49I98.5Very high98Very high56 Ų5648.1 Ų48.129%0.28723%0.229SC..Hα-helixtrans-62.1-49.6177.8-66.5169.1000110.4T35 L38 L45 Y46 T51 R52 L53T35-I49 HydrophobicContact CG2-CG2 3.72Å; L38-I49 HydrophobicContact CD1-CD1 3.58Å; L45-I49 HydrophobicContact CD1-CD1 3.84Å; L45-I49 HydrophobicContact CD1-CG1 4.07Å; L45-I49 HydrophobicContact CG-CD1 3.81Å; L45-I49 HydrophobicContact CG-CG1 4.43Å; L45-I49 WeakPolarHBondContact O-CG1 3.27Å; L45-I49 PolarHBondContact O-N 3.02Å; Y46-I49 PolarHBondContact O-N 3.18Å; I49-T51 VanDerWaalsContact C-N 3.26Å; I49-T51 PolarHBondContact O-N 3.01Å; I49-R52 PolarHBondContact O-N 3.27Å; I49-L53 HydrophobicContact CG2-CD1 3.75Å; I49-L53 HydrophobicContact CG2-CG 4.21Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 3.12Å
50N98.6Very high98.1Very high0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-62.5-32.4179.8-82.7-72.7000113Q32 T35 Y46 R47 S54 F138 L139Q32-N50 WeakPolarHBondContact CB-OD1 3.46Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.26Å; Q32-N50 PolarHBondContact NE2-OD1 2.99Å; T35-N50 PolarHBondContact OG1-ND2 2.97Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.41Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.27Å; Y46-N50 VanDerWaalsContact CZ-ND2 3.31Å; Y46-N50 WeakPolarHBondContact O-CB 3.35Å; Y46-N50 PolarHBondContact O-N 2.98Å; Y46-N50 PolarHBondContact O-ND2 2.85Å; R47-N50 PolarHBondContact O-N 3.46Å; N50-S54 WeakPolarHBondContact O-CB 3.45Å; N50-S54 PolarHBondContact O-N 3.08Å; N50-S54 PolarHBondContact O-OG 3.08Å; N50-F138 WeakPolarHBondContact OD1-CB 3.31Å; N50-L139 HydrophobicContact CB-CD2 4.44Å
51T98.4Very high98.2Very high1 Ų140.5 Ų40.51%0.00619%0.188CC..Hα-helixtrans-61.9-43.8172.1-63.80000111.3R47 K48 I49 Y55 G116 A117 Y165 E167R47-T51 WeakPolarHBondContact O-CB 3.17Å; R47-T51 PolarHBondContact O-N 3.18Å; R47-T51 PolarHBondContact O-OG1 3.35Å; K48-T51 WeakPolarHBondContact O-CB 3.3Å; K48-T51 PolarHBondContact O-N 3.07Å; I49-T51 VanDerWaalsContact C-N 3.26Å; I49-T51 PolarHBondContact O-N 3.01Å; T51-Y55 WeakPolarHBondContact O-CB 3.5Å; T51-Y55 PolarHBondContact O-N 3.07Å; T51-G116 WeakPolarHBondContact O-CA 3.46Å; T51-A117 HydrophobicContact CG2-CB 4.06Å; T51-Y165 PolarHBondContact OG1-OH 2.75Å; T51-E167 HydrophobicContact CG2-CG 4.09Å
52R98.4Very high98.2Very high135 Ų13533.9 Ų33.951%0.50915%0.154SC..Hα-helixtrans-72.5-38.4178.7-57.8-54.4178.2-122.4-9.3112.6K48 I49 Y55 S56 E167K48-R52 WeakPolarHBondContact O-CG 3.36Å; K48-R52 PolarHBondContact O-N 2.91Å; I49-R52 PolarHBondContact O-N 3.27Å; R52-Y55 WeakPolarHBondContact O-CB 3.5Å; R52-Y55 PolarHBondContact O-N 3.07Å; R52-S56 PolarHBondContact O-N 3.06Å; R52-S56 VanDerWaalsContact O-N 3.08Å; R52-E167 IonicContact CZ-OE1 3.65Å; R52-E167 IonicContact CZ-OE2 3.71Å; R52-E167 IonicContact NH1-OE1 3.32Å; R52-E167 IonicContact NH1-OE2 3.77Å; R52-E167 PolarHBondContact NH1-OE2 3.42Å; R52-E167 VanDerWaalsContact NH2-CD 3.28Å; R52-E167 IonicContact NH2-OE1 3.48Å; R52-E167 PolarHBondContact NH2-OE1 2.77Å; R52-E167 IonicContact NH2-OE2 2.73Å; R52-E167 PolarHBondContact NH2-OE2 2.94Å
53L98.6Very high98.2Very high28 Ų2830.8 Ų30.815%0.14714%0.137CC..Hα-helixtrans-61.5-45.6173.1-72.4174000111.2I28 I31 Q32 T35 I49 Y55 S56 L57I28-L53 HydrophobicContact CG2-CB 4.01Å; I31-L53 HydrophobicContact CB-CD1 4.39Å; I31-L53 HydrophobicContact CB-CD2 4.45Å; I31-L53 HydrophobicContact CG2-CD1 3.79Å; I31-L53 HydrophobicContact CG2-CD2 4.03Å; Q32-L53 HydrophobicContact CB-CD1 4.46Å; Q32-L53 HydrophobicContact CG-CB 4Å; Q32-L53 HydrophobicContact CG-CD1 3.55Å; Q32-L53 HydrophobicContact CG-CG 4.39Å; T35-L53 HydrophobicContact CG2-CD1 4.22Å; I49-L53 HydrophobicContact CG2-CD1 3.75Å; I49-L53 HydrophobicContact CG2-CG 4.21Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 3.12Å; L53-Y55 PolarHBondContact O-N 3.3Å; L53-S56 WeakPolarHBondContact O-CB 3.44Å; L53-S56 PolarHBondContact O-N 2.93Å; L53-S56 VanDerWaalsContact O-N 3.13Å; L53-L57 PolarHBondContact O-N 3.06Å
54S98.1Very high98.3Very high0 Ų026.9 Ų26.90%012%0.124CC..Hα-helixtrans-65.9-37.8177.1-58.20000112.4N50 S56 L57 W58 T135 L139N50-S54 WeakPolarHBondContact O-CB 3.45Å; N50-S54 PolarHBondContact O-N 3.08Å; N50-S54 PolarHBondContact O-OG 3.08Å; S54-S56 VanDerWaalsContact C-N 3.29Å; S54-S56 PolarHBondContact O-N 2.89Å; S54-L57 PolarHBondContact O-N 3.34Å; S54-L57 VanDerWaalsContact O-N 3.12Å; S54-W58 VanDerWaalsContact O-CG 3.26Å; S54-W58 PolarHBondContact O-N 2.56Å; S54-T135 WeakPolarHBondContact OG-CG2 3.46Å; S54-L139 WeakPolarHBondContact OG-CD1 3.37Å; S54-L139 VanDerWaalsContact OG-CD2 3.3Å; S54-L139 WeakPolarHBondContact OG-CD2 3.42Å; S54-L139 VanDerWaalsContact OG-CG 3.25Å; S54-L139 WeakPolarHBondContact OG-CG 3.37Å
55Y98.7Very high98.3Very high43 Ų4324.3 Ų24.317%0.16911%0.112CC..Hα-helixtrans-55-45.8170.3175-87.2000111.6T51 R52 L53 L57 W58 S59 E110 L115 W306T51-Y55 WeakPolarHBondContact O-CB 3.5Å; T51-Y55 PolarHBondContact O-N 3.07Å; R52-Y55 WeakPolarHBondContact O-CB 3.5Å; R52-Y55 PolarHBondContact O-N 3.07Å; L53-Y55 PolarHBondContact O-N 3.3Å; Y55-L57 PolarHBondContact O-N 2.83Å; Y55-W58 PolarHBondContact O-N 2.99Å; Y55-S59 WeakPolarHBondContact O-CB 2.99Å; Y55-S59 PolarHBondContact O-N 2.87Å; Y55-S59 PolarHBondContact O-OG 3.07Å; Y55-E110 WeakPolarHBondContact CE2-OE2 3.46Å; Y55-E110 PolarHBondContact OH-OE1 3.24Å; Y55-E110 PolarHBondContact OH-OE2 3.35Å; Y55-L115 HydrophobicContact CD2-CB 4.06Å; Y55-L115 HydrophobicContact CD2-CD2 4.14Å; Y55-L115 HydrophobicContact CD2-CG 4.42Å; Y55-L115 HydrophobicContact CE2-CB 4.37Å; Y55-L115 HydrophobicContact CE2-CD2 4.21Å; Y55-W306 WeakPolarHBondContact OH-CB 3.33Å
56S98.6Very high98.2Very high18 Ų1821 Ų2113%0.1269%0.094CC..Hα-helixtrans-61.2-30.4178.8-166.70000112.5R52 L53 S54 S59 Q60 N310 W314R52-S56 PolarHBondContact O-N 3.06Å; R52-S56 VanDerWaalsContact O-N 3.08Å; L53-S56 WeakPolarHBondContact O-CB 3.44Å; L53-S56 PolarHBondContact O-N 2.93Å; L53-S56 VanDerWaalsContact O-N 3.13Å; S54-S56 VanDerWaalsContact C-N 3.29Å; S54-S56 PolarHBondContact O-N 2.89Å; S56-S59 PolarHBondContact O-OG 2.87Å; S56-Q60 PolarHBondContact O-NE2 3.36Å; S56-N310 PolarHBondContact O-ND2 2.77Å; S56-N310 PolarHBondContact OG-ND2 3.31Å; S56-N310 PolarHBondContact OG-OD1 3.47Å; S56-W314 PolarHBondContact OG-NE1 3.27Å
57L98.3Very high98.2Very high0 Ų024.2 Ų24.20%011%0.106CC..Hα-helixtrans-79.7-52.2174.9-172.958.1000112.6F21 I28 L53 S54 Y55 S59 Q60 T135F21-L57 HydrophobicContact CD2-CD1 3.92Å; F21-L57 HydrophobicContact CE2-CD1 3.44Å; F21-L57 VanDerWaalsContact CE2-CD1 3.44Å; F21-L57 HydrophobicContact CE2-CG 4.04Å; F21-L57 HydrophobicContact CZ-CD1 3.91Å; F21-L57 HydrophobicContact CZ-CG 4.37Å; I28-L57 HydrophobicContact CD1-CB 4.12Å; L53-L57 PolarHBondContact O-N 3.06Å; S54-L57 PolarHBondContact O-N 3.34Å; S54-L57 VanDerWaalsContact O-N 3.12Å; Y55-L57 PolarHBondContact O-N 2.83Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 3.36Å; L57-Q60 PolarHBondContact O-N 2.95Å; L57-T135 HydrophobicContact CD2-CG2 4.27Å; L57-T135 VanDerWaalsContact CD2-OG1 3.25Å; L57-T135 WeakPolarHBondContact CD2-OG1 3.48Å
58W98.1Very high98.1Very high1 Ų126.4 Ų26.40%0.00412%0.115CC..Hα-helixtrans-67.3-33.5-176.2-53.9144.7000113.3S54 Y55 Q60 L61 V62 W106 L115 I132 T135 W136S54-W58 VanDerWaalsContact O-CG 3.26Å; S54-W58 PolarHBondContact O-N 2.56Å; Y55-W58 PolarHBondContact O-N 2.99Å; W58-Q60 PolarHBondContact O-N 3.43Å; W58-L61 HydrophobicContact CE3-CD1 4.32Å; W58-L61 PolarHBondContact O-N 3.28Å; W58-V62 PolarHBondContact O-N 2.74Å; W58-V62 VanDerWaalsContact O-N 3.1Å; W58-W106 HydrophobicContact CB-CE3 4.49Å; W58-W106 HydrophobicContact CB-CZ3 4.49Å; W58-W106 AromaticContact CD2-CH2 3.74Å; W58-W106 HydrophobicContact CD2-CH2 3.74Å; W58-W106 HydrophobicContact CD2-CZ2 4.11Å; W58-W106 HydrophobicContact CD2-CZ3 4.21Å; W58-W106 AromaticContact CE3-CH2 3.52Å; W58-W106 HydrophobicContact CE3-CH2 3.52Å; W58-W106 HydrophobicContact CE3-CZ2 4.33Å; W58-W106 AromaticContact CE3-CZ3 3.85Å; W58-W106 HydrophobicContact CE3-CZ3 3.85Å; W58-W106 HydrophobicContact CG-CH2 4.27Å; W58-W106 HydrophobicContact CG-CZ2 4.38Å; W58-W106 HydrophobicContact CG-CZ3 4.48Å; W58-W106 HydrophobicContact CH2-CH2 4.49Å; W58-W106 AromaticContact CZ3-CH2 3.93Å; W58-W106 HydrophobicContact CZ3-CH2 3.93Å; W58-L115 HydrophobicContact CB-CD1 3.91Å; W58-L115 HydrophobicContact CB-CD2 3.92Å; W58-L115 HydrophobicContact CB-CG 3.87Å; W58-I132 HydrophobicContact CH2-CB 4.34Å; W58-I132 HydrophobicContact CH2-CG1 4.45Å; W58-I132 HydrophobicContact CH2-CG2 3.94Å; W58-I132 HydrophobicContact CZ3-CG1 4.24Å; W58-I132 HydrophobicContact CZ3-CG2 4.31Å; W58-T135 HydrophobicContact CH2-CG2 4.09Å; W58-T135 HydrophobicContact CZ2-CG2 3.47Å; W58-T135 VanDerWaalsContact CZ2-CG2 3.47Å; W58-W136 AromaticContact CH2-CD1 3.88Å; W58-W136 AromaticContact CH2-NE1 3.58Å; W58-W136 AromaticContact CZ2-CD1 3.42Å; W58-W136 VanDerWaalsContact CZ2-CD1 3.42Å; W58-W136 AromaticContact CZ2-NE1 3.33Å; W58-W136 VanDerWaalsContact CZ2-NE1 3.33Å
59S98.5Very high98Very high0 Ų022 Ų220%010%0.096CC..Hα-helixtrans-60.7-26178.458.50000112.7Y55 S56 L57 V62 M63 T307 N310Y55-S59 WeakPolarHBondContact O-CB 2.99Å; Y55-S59 PolarHBondContact O-N 2.87Å; Y55-S59 PolarHBondContact O-OG 3.07Å; S56-S59 PolarHBondContact O-OG 2.87Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 3.36Å; S59-V62 PolarHBondContact O-N 3.27Å; S59-M63 VanDerWaalsContact O-CB 3.26Å; S59-M63 WeakPolarHBondContact O-CB 3.17Å; S59-M63 PolarHBondContact O-N 2.83Å; S59-T307 WeakPolarHBondContact O-CB 3.31Å; S59-N310 PolarHBondContact OG-ND2 2.89Å
60Q98.4Very high97.9Very high3 Ų320.3 Ų20.31%0.0149%0.092CC..Hα-helixtrans-67.7-37.7174.8-62.9-179.155.500111.8F21 S24 S56 L57 W58 M63 L64 F311F21-Q60 HydrophobicContact CD2-CB 4.16Å; S24-Q60 PolarHBondContact OG-NE2 2.98Å; S24-Q60 PolarHBondContact OG-OE1 2.88Å; S56-Q60 PolarHBondContact O-NE2 3.36Å; L57-Q60 PolarHBondContact O-N 2.95Å; W58-Q60 PolarHBondContact O-N 3.43Å; Q60-M63 WeakPolarHBondContact O-CB 3.39Å; Q60-M63 PolarHBondContact O-N 2.89Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 3.35Å; Q60-F311 HydrophobicContact CB-CD2 4.45Å; Q60-F311 HydrophobicContact CG-CD2 4.3Å
61L97.8Very high97.8Very high28 Ų2820.3 Ų20.315%0.1479%0.092CC..Hα-helixtrans-71.8-40.5175.6-63.2174.4000111.2F21 W58 M63 L64 L65 L103 W106F21-L61 HydrophobicContact CD2-CD2 4.26Å; F21-L61 HydrophobicContact CD2-CG 4.37Å; F21-L61 HydrophobicContact CE2-CD1 3.97Å; F21-L61 HydrophobicContact CE2-CD2 3.93Å; F21-L61 HydrophobicContact CE2-CG 3.73Å; F21-L61 HydrophobicContact CZ-CD1 4.01Å; F21-L61 HydrophobicContact CZ-CD2 4.23Å; F21-L61 HydrophobicContact CZ-CG 4.21Å; W58-L61 HydrophobicContact CE3-CD1 4.32Å; W58-L61 PolarHBondContact O-N 3.28Å; L61-M63 VanDerWaalsContact C-N 3.27Å; L61-M63 PolarHBondContact O-N 3.46Å; L61-L64 HydrophobicContact CD2-CD1 4.41Å; L61-L64 WeakPolarHBondContact O-CB 3.45Å; L61-L64 PolarHBondContact O-N 2.81Å; L61-L64 VanDerWaalsContact O-N 3.17Å; L61-L65 PolarHBondContact O-N 3.03Å; L61-L103 HydrophobicContact CB-CD1 3.76Å; L61-W106 HydrophobicContact CD1-CZ3 3.72Å
62V98.3Very high97.6Very high0 Ų022.7 Ų22.70%010%0.103CC..Hα-helixtrans-62.2-38.3172.4177.80000110.6W58 S59 L64 L65 E66 W106 E110 L115 T307W58-V62 PolarHBondContact O-N 2.74Å; W58-V62 VanDerWaalsContact O-N 3.1Å; S59-V62 PolarHBondContact O-N 3.27Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 3.19Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-E66 HydrophobicContact CG1-CG 4.07Å; V62-E66 WeakPolarHBondContact O-CG 3.45Å; V62-E66 PolarHBondContact O-N 3.04Å; V62-W106 HydrophobicContact CG2-CB 3.89Å; V62-E110 HydrophobicContact CG1-CB 3.99Å; V62-E110 HydrophobicContact CG1-CG 4.11Å; V62-L115 HydrophobicContact CG2-CD1 4.23Å; V62-L115 HydrophobicContact CG2-CD2 3.96Å; V62-T307 HydrophobicContact CB-CG2 4.28Å; V62-T307 HydrophobicContact CG1-CG2 4.07Å
63M98.3Very high97.5Very high5 Ų516.9 Ų16.93%0.0258%0.083CC..Hα-helixtrans-60.1-41.7174.3-176.2-73.5-51.800111.5S59 Q60 L61 L65 E66 W67 W68 L308 F311S59-M63 VanDerWaalsContact O-CB 3.26Å; S59-M63 WeakPolarHBondContact O-CB 3.17Å; S59-M63 PolarHBondContact O-N 2.83Å; Q60-M63 WeakPolarHBondContact O-CB 3.39Å; Q60-M63 PolarHBondContact O-N 2.89Å; L61-M63 VanDerWaalsContact C-N 3.27Å; L61-M63 PolarHBondContact O-N 3.46Å; M63-L65 PolarHBondContact O-N 2.75Å; M63-E66 PolarHBondContact O-N 3.2Å; M63-W67 HydrophobicContact CG-CB 4.24Å; M63-W67 HydrophobicContact CG-CG 4.43Å; M63-W67 WeakPolarHBondContact O-CA 3.29Å; M63-W67 WeakPolarHBondContact O-CB 3.45Å; M63-W67 PolarHBondContact O-N 2.94Å; M63-W67 HydrophobicContact SD-CB 4.22Å; M63-W68 PolarHBondContact O-N 3.41Å; M63-W68 VanDerWaalsContact O-N 3.09Å; M63-L308 HydrophobicContact CG-CD1 4.35Å; M63-F311 HydrophobicContact CB-CB 4.42Å; M63-F311 HydrophobicContact CE-CB 3.83Å; M63-F311 HydrophobicContact CE-CD1 3.47Å; M63-F311 VanDerWaalsContact CE-CD1 3.47Å; M63-F311 HydrophobicContact CE-CD2 3.34Å; M63-F311 HydrophobicContact CE-CE1 3.78Å; M63-F311 HydrophobicContact CE-CE2 3.65Å; M63-F311 HydrophobicContact CE-CG 3.23Å; M63-F311 HydrophobicContact CE-CZ 3.86Å; M63-F311 HydrophobicContact CG-CB 3.9Å; M63-F311 HydrophobicContact CG-CG 4.31Å; M63-F311 HydrophobicContact SD-CB 4.36Å; M63-F311 HydrophobicContact SD-CD1 4.02Å; M63-F311 HydrophobicContact SD-CG 4.13Å
64L97.6Very high97.4Very high15 Ų1515.6 Ų15.68%0.0798%0.076CC..Iπ-helixtrans-62.5-41175.3-69.9177.4000112.7V17 Q60 L61 V62 W68 S69 I243V17-L64 HydrophobicContact CG1-CD1 3.98Å; V17-L64 HydrophobicContact CG1-CD2 3.65Å; V17-L64 HydrophobicContact CG1-CG 4.36Å; Q60-L64 WeakPolarHBondContact O-CG 3.42Å; Q60-L64 PolarHBondContact O-N 3.35Å; L61-L64 HydrophobicContact CD2-CD1 4.41Å; L61-L64 WeakPolarHBondContact O-CB 3.45Å; L61-L64 PolarHBondContact O-N 2.81Å; L61-L64 VanDerWaalsContact O-N 3.17Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 3.19Å; L64-W68 HydrophobicContact CD2-CB 3.88Å; L64-W68 HydrophobicContact CD2-CD2 4.4Å; L64-W68 HydrophobicContact CD2-CG 3.88Å; L64-W68 WeakPolarHBondContact O-CB 3.43Å; L64-S69 PolarHBondContact O-N 2.69Å; L64-I243 HydrophobicContact CB-CG2 4.2Å; L64-I243 WeakPolarHBondContact O-CG2 3.5Å
65L97.6Very high97.4Very high0 Ų015.6 Ų15.60%08%0.076CC..Iπ-helixtrans-66.2-49.8176.9-174.966.3000111.7L61 V62 M63 S69 T71 I100 L103 T107 I243L61-L65 PolarHBondContact O-N 3.03Å; V62-L65 PolarHBondContact O-N 3.34Å; M63-L65 PolarHBondContact O-N 2.75Å; L65-S69 PolarHBondContact O-OG 3Å; L65-T71 HydrophobicContact CD1-CG2 3.71Å; L65-T71 HydrophobicContact CG-CG2 4.16Å; L65-T71 VanDerWaalsContact O-CB 3.28Å; L65-T71 WeakPolarHBondContact O-CB 3.35Å; L65-T71 PolarHBondContact O-N 3.33Å; L65-T71 VanDerWaalsContact O-N 3.08Å; L65-I100 HydrophobicContact CD1-CD1 4.15Å; L65-L103 HydrophobicContact CB-CD2 3.88Å; L65-L103 HydrophobicContact CB-CG 3.96Å; L65-L103 HydrophobicContact CD1-CD2 4.15Å; L65-L103 HydrophobicContact CD1-CG 4.43Å; L65-L103 HydrophobicContact CD2-CB 4.36Å; L65-L103 HydrophobicContact CD2-CD2 4.4Å; L65-L103 HydrophobicContact CD2-CG 3.81Å; L65-L103 WeakPolarHBondContact CD2-O 3.47Å; L65-L103 HydrophobicContact CG-CD2 4.35Å; L65-L103 HydrophobicContact CG-CG 4.27Å; L65-T107 WeakPolarHBondContact CD2-OG1 3.49Å; L65-I243 HydrophobicContact CD1-CD1 3.56Å; L65-I243 HydrophobicContact CD1-CG1 4.08Å
66E96.9Very high97.3Very high2 Ų213.9 Ų13.91%0.0097%0.07CC..Iπ-helixtrans-85.4-53.8-168.5-63.1-173.2164.300112.5V62 M63 G70 T107 R111 R303V62-E66 HydrophobicContact CG1-CG 4.07Å; V62-E66 WeakPolarHBondContact O-CG 3.45Å; V62-E66 PolarHBondContact O-N 3.04Å; M63-E66 PolarHBondContact O-N 3.2Å; E66-G70 WeakPolarHBondContact O-CA 3.37Å; E66-G70 PolarHBondContact O-N 2.86Å; E66-T107 WeakPolarHBondContact CG-OG1 3.33Å; E66-T107 WeakPolarHBondContact OE1-CB 3.48Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.41Å; E66-T107 PolarHBondContact OE1-OG1 2.92Å; E66-R111 IonicContact OE1-CZ 3.56Å; E66-R111 IonicContact OE1-NE 2.83Å; E66-R111 PolarHBondContact OE1-NE 3.08Å; E66-R111 IonicContact OE1-NH2 3.52Å; E66-R111 PolarHBondContact OE1-NH2 2.91Å; E66-R111 IonicContact OE2-CZ 2.73Å; E66-R111 IonicContact OE2-NE 2.84Å; E66-R111 PolarHBondContact OE2-NE 2.89Å; E66-R111 IonicContact OE2-NH2 2.8Å; E66-R111 PolarHBondContact OE2-NH2 2.88Å; E66-R303 PolarHBondContact O-NH1 3.34Å; E66-R303 PolarHBondContact O-NH2 3.4Å; E66-R303 VanDerWaalsContact O-NH2 3.09Å
67W97.4Very high97.3Very high77 Ų7713.2 Ų13.229%0.2927%0.066SC..Iπ-helixtrans-89.6-42.7-170.5-61.699.1000111.6M63 R303 L305 T307 L308M63-W67 HydrophobicContact CG-CB 4.24Å; M63-W67 HydrophobicContact CG-CG 4.43Å; M63-W67 WeakPolarHBondContact O-CA 3.29Å; M63-W67 WeakPolarHBondContact O-CB 3.45Å; M63-W67 PolarHBondContact O-N 2.94Å; M63-W67 HydrophobicContact SD-CB 4.22Å; W67-R303 HydrophobicContact CH2-CB 3.98Å; W67-R303 HydrophobicContact CZ2-CB 3.51Å; W67-R303 HydrophobicContact CZ2-CG 4.42Å; W67-L305 HydrophobicContact CH2-CD2 3.59Å; W67-L305 HydrophobicContact CZ2-CD2 3.88Å; W67-T307 PolarHBondContact NE1-OG1 2.85Å; W67-T307 VanDerWaalsContact NE1-OG1 3.09Å; W67-L308 HydrophobicContact CD2-CB 4.23Å; W67-L308 HydrophobicContact CD2-CD2 4.18Å; W67-L308 HydrophobicContact CE3-CD2 4.08Å; W67-L308 HydrophobicContact CG-CB 4.25Å; W67-L308 HydrophobicContact CZ3-CD2 4.35Å
68W96.8Very high97.2Very high47 Ų4716.7 Ų16.718%0.1788%0.084CC..Iπ-helixtrans-75.2-55-178.1-177.3-98.7000112.7K8 V13 M63 L64 V244K8-W68 HydrophobicContact CB-CZ2 3.8Å; K8-W68 HydrophobicContact CD-CD2 4.33Å; K8-W68 HydrophobicContact CD-CZ2 4.32Å; K8-W68 WeakPolarHBondContact CE-O 3.33Å; K8-W68 HydrophobicContact CG-CD2 4.39Å; K8-W68 HydrophobicContact CG-CH2 3.9Å; K8-W68 HydrophobicContact CG-CZ2 3.52Å; K8-W68 HydrophobicContact CG-CZ3 4.49Å; K8-W68 PolarHBondContact NZ-O 2.59Å; V13-W68 HydrophobicContact CG1-CH2 3.46Å; V13-W68 VanDerWaalsContact CG1-CH2 3.46Å; V13-W68 HydrophobicContact CG1-CZ2 3.84Å; M63-W68 PolarHBondContact O-N 3.41Å; M63-W68 VanDerWaalsContact O-N 3.09Å; L64-W68 HydrophobicContact CD2-CB 3.88Å; L64-W68 HydrophobicContact CD2-CD2 4.4Å; L64-W68 HydrophobicContact CD2-CG 3.88Å; L64-W68 WeakPolarHBondContact O-CB 3.43Å; W68-V244 PolarHBondContact NE1-O 2.89Å
69S96.2Very high97.1Very high4 Ų421.9 Ų21.93%0.02811%0.108CC..SBendtrans-83.9-14.9-179.983.60000113.4L64 L65 T71 I243 K247 K248L64-S69 PolarHBondContact O-N 2.69Å; L65-S69 PolarHBondContact O-OG 3Å; S69-T71 PolarHBondContact O-N 2.8Å; S69-T71 PolarHBondContact OG-N 2.79Å; S69-T71 PolarHBondContact OG-OG1 2.62Å; S69-I243 WeakPolarHBondContact OG-CD1 3.4Å; S69-K247 WeakPolarHBondContact CB-O 3.41Å; S69-K248 VanDerWaalsContact O-CA 3.24Å; S69-K248 WeakPolarHBondContact O-CA 3.36Å; S69-K248 WeakPolarHBondContact O-CB 3.44Å; S69-K248 PolarHBondContact O-N 2.92Å
70G96.1Very high97Very high19 Ų1925.1 Ų25.120%0.19614%0.135CC..  trans72.915.1-17800000113.3E66 K248 R303E66-G70 WeakPolarHBondContact O-CA 3.37Å; E66-G70 PolarHBondContact O-N 2.86Å; G70-K248 WeakPolarHBondContact O-CD 3.31Å; G70-K248 VanDerWaalsContact O-CE 3.25Å; G70-K248 WeakPolarHBondContact O-CE 3.44Å; G70-K248 WeakPolarHBondContact O-CG 3.4Å; G70-R303 PolarHBondContact O-NH2 3.29Å
71T96.3Very high96.9Very high1 Ų125.3 Ų25.31%0.00614%0.137CC..  trans-59.8139.7-179.4-66.90000110.5L65 S69 Y249 R303L65-T71 HydrophobicContact CD1-CG2 3.71Å; L65-T71 HydrophobicContact CG-CG2 4.16Å; L65-T71 VanDerWaalsContact O-CB 3.28Å; L65-T71 WeakPolarHBondContact O-CB 3.35Å; L65-T71 PolarHBondContact O-N 3.33Å; L65-T71 VanDerWaalsContact O-N 3.08Å; S69-T71 PolarHBondContact O-N 2.8Å; S69-T71 PolarHBondContact OG-N 2.79Å; S69-T71 PolarHBondContact OG-OG1 2.62Å; T71-Y249 WeakPolarHBondContact CA-O 3.21Å; T71-Y249 WeakPolarHBondContact CG2-O 3.27Å; T71-Y249 PolarHBondContact OG1-N 2.89Å; T71-R303 PolarHBondContact O-NH2 2.9Å
72E95.3Very high96.9Very high50 Ų5024.7 Ų24.723%0.23413%0.134CC..EExtended strand (participates in β ladder)trans-107143.4176.2-72.9179.3-143.300110.1K248 Y249 A251 K300E72-K248 WeakPolarHBondContact OE1-CE 3.37Å; E72-K248 IonicContact OE1-NZ 2.68Å; E72-K248 PolarHBondContact OE1-NZ 3.14Å; E72-Y249 PolarHBondContact N-O 3.45Å; E72-A251 PolarHBondContact O-N 3.41Å; E72-K300 IonicContact OE2-NZ 2.89Å; E72-K300 PolarHBondContact OE2-NZ 3.24Å
73C95.2Very high96.8Very high14 Ų1428.6 Ų28.610%0.09516%0.155CC..EExtended strand (participates in β ladder)trans-121.9122.8173.3-64.20000108.5T107 A251 M253C73-T107 HydrophobicContact CB-CG2 3.85Å; C73-A251 CarbonylContact C-O 3.57Å; C73-A251 WeakPolarHBondContact CA-O 3.23Å; C73-M253 HydrophobicContact CB-CE 3.77Å
74T97Very high96.8Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-112129-179.7-51.40000108.5F76 A251 D252 M253 T298 K300T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE2 3.63Å; T74-F76 HydrophobicContact CG2-CZ 4.04Å; T74-A251 PolarHBondContact N-O 2.85Å; T74-D252 VanDerWaalsContact CB-OD1 3.24Å; T74-D252 WeakPolarHBondContact CB-OD1 3.39Å; T74-D252 CarbonylContact O-C 3.49Å; T74-D252 WeakPolarHBondContact O-CA 3.45Å; T74-D252 PolarHBondContact OG1-OD1 2.85Å; T74-M253 PolarHBondContact O-N 3.46Å; T74-T298 HydrophobicContact CG2-CG2 3.16Å; T74-K300 HydrophobicContact CG2-CG 4.23Å; T74-K300 WeakPolarHBondContact OG1-CE 3.38Å
75I97.7Very high96.8Very high0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-97.7136.5178.8-54.1170.2000108.9A77 F85 M108 Y112 M253 I255 T298 I299 P301I75-A77 HydrophobicContact CG2-CB 3.78Å; I75-F85 HydrophobicContact CD1-CE2 4.46Å; I75-F85 HydrophobicContact CG2-CE2 4.49Å; I75-M108 HydrophobicContact CD1-CE 3.13Å; I75-M108 HydrophobicContact CD1-SD 3.57Å; I75-M108 VanDerWaalsContact CD1-SD 3.57Å; I75-M108 HydrophobicContact CG1-CE 3.54Å; I75-M108 HydrophobicContact CG1-SD 3.63Å; I75-Y112 HydrophobicContact CD1-CE2 4.17Å; I75-M253 CarbonylContact C-O 3.59Å; I75-M253 WeakPolarHBondContact CA-O 3.46Å; I75-I255 HydrophobicContact CG2-CD1 3.93Å; I75-I255 HydrophobicContact CG2-CG1 4.25Å; I75-T298 CarbonylContact O-C 3.56Å; I75-T298 WeakPolarHBondContact O-CA 3.39Å; I75-I299 HydrophobicContact CB-CB 4.35Å; I75-I299 WeakPolarHBondContact CB-O 3.39Å; I75-I299 PolarHBondContact N-O 3.41Å; I75-I299 PolarHBondContact O-N 3.44Å; I75-P301 HydrophobicContact CD1-CG 3.76Å
76F98.1Very high96.7Very high7 Ų733.4 Ų33.43%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-115.997.1170.3-62.2-107.5000107.8T74 D252 M253 N254 I255 F294 P297 T298T74-F76 HydrophobicContact CG2-CD2 4.32Å; T74-F76 HydrophobicContact CG2-CE2 3.63Å; T74-F76 HydrophobicContact CG2-CZ 4.04Å; F76-D252 HydrophobicContact CD2-CB 4.2Å; F76-D252 HydrophobicContact CE2-CB 3.52Å; F76-D252 VanDerWaalsContact CE2-CG 3.48Å; F76-D252 HydrophobicContact CZ-CB 4.33Å; F76-M253 PolarHBondContact N-O 3.33Å; F76-N254 HydrophobicContact CB-CB 4.35Å; F76-N254 WeakPolarHBondContact O-CA 3.28Å; F76-N254 PolarHBondContact O-ND2 3.49Å; F76-I255 PolarHBondContact O-N 3.02Å; F76-F294 HydrophobicContact CB-CB 3.97Å; F76-F294 HydrophobicContact CD1-CB 3.71Å; F76-F294 WeakPolarHBondContact CD1-O 3.4Å; F76-F294 HydrophobicContact CD2-CB 4.1Å; F76-F294 AromaticContact CD2-CD2 3.98Å; F76-F294 HydrophobicContact CD2-CD2 3.98Å; F76-F294 HydrophobicContact CE1-CB 4.16Å; F76-F294 WeakPolarHBondContact CE1-O 2.78Å; F76-F294 HydrophobicContact CE2-CD2 4.33Å; F76-F294 HydrophobicContact CG-CB 3.67Å; F76-F294 HydrophobicContact CG-CD2 4.37Å; F76-P297 WeakPolarHBondContact CA-O 3.37Å; F76-T298 WeakPolarHBondContact CE1-OG1 3.5Å
77A97.5Very high96.8Very high5 Ų539.9 Ų39.94%0.04121%0.207CC..  trans-158.8147.1-175.400000109.7I75 T81 V82 I255 P297I75-A77 HydrophobicContact CG2-CB 3.78Å; A77-T81 HydrophobicContact CB-CG2 4.22Å; A77-V82 HydrophobicContact CB-CG2 4.02Å; A77-I255 HydrophobicContact CB-CB 4.17Å; A77-I255 WeakPolarHBondContact CB-O 3.25Å; A77-P297 PolarHBondContact N-O 2.69Å; A77-P297 WeakPolarHBondContact O-CG 3.43Å
78D96.3Very high96.8Very high73 Ų7336.8 Ų36.839%0.3920%0.196SC..  trans-65.7156.7172.368.588.9000111.6A80 T81 V82D78-A80 VanDerWaalsContact C-N 3.3Å; D78-A80 PolarHBondContact O-N 3.26Å; D78-A80 WeakPolarHBondContact OD1-CA 3.27Å; D78-A80 WeakPolarHBondContact OD1-CB 3.39Å; D78-A80 PolarHBondContact OD1-N 2.98Å; D78-T81 WeakPolarHBondContact O-CB 3.39Å; D78-T81 PolarHBondContact O-N 3.2Å; D78-T81 PolarHBondContact OD1-N 3.29Å; D78-T81 PolarHBondContact OD1-OG1 3.05Å; D78-T81 WeakPolarHBondContact OD2-CB 3.47Å; D78-T81 PolarHBondContact OD2-OG1 3.24Å; D78-V82 PolarHBondContact O-N 2.99Å
79Q95.9Very high96.8Very high110 Ų11035.8 Ų35.851%0.51419%0.193SC..Hα-helixtrans-64-34.6-176-171.160.149.500112.4T81 V82 D83Q79-T81 VanDerWaalsContact C-N 3.3Å; Q79-T81 PolarHBondContact O-N 2.95Å; Q79-V82 PolarHBondContact O-N 3.27Å; Q79-V82 VanDerWaalsContact O-N 3.12Å; Q79-D83 PolarHBondContact NE2-OD1 3.45Å; Q79-D83 PolarHBondContact O-N 2.76Å
80A96.4Very high96.9Very high68 Ų6835.6 Ų35.656%0.56219%0.192SC*.Hα-helixtrans-65.7-35.1-179.800000111.7D78D78-A80 VanDerWaalsContact C-N 3.3Å; D78-A80 PolarHBondContact O-N 3.26Å; D78-A80 WeakPolarHBondContact OD1-CA 3.27Å; D78-A80 WeakPolarHBondContact OD1-CB 3.39Å; D78-A80 PolarHBondContact OD1-N 2.98Å
81T96.9Very high97.1Very high7 Ų734.7 Ų34.74%0.04318%0.183CC..Hα-helixtrans-63.1-49169.2-690000111.1A77 D78 Q79 D83 K84 F85 I255 R257A77-T81 HydrophobicContact CB-CG2 4.22Å; D78-T81 WeakPolarHBondContact O-CB 3.39Å; D78-T81 PolarHBondContact O-N 3.2Å; D78-T81 PolarHBondContact OD1-N 3.29Å; D78-T81 PolarHBondContact OD1-OG1 3.05Å; D78-T81 WeakPolarHBondContact OD2-CB 3.47Å; D78-T81 PolarHBondContact OD2-OG1 3.24Å; Q79-T81 VanDerWaalsContact C-N 3.3Å; Q79-T81 PolarHBondContact O-N 2.95Å; T81-D83 VanDerWaalsContact C-N 3.33Å; T81-D83 PolarHBondContact O-N 3.02Å; T81-K84 PolarHBondContact O-N 3.43Å; T81-F85 HydrophobicContact CG2-CE1 3.59Å; T81-F85 HydrophobicContact CG2-CZ 3.71Å; T81-F85 WeakPolarHBondContact O-CD1 3.46Å; T81-I255 HydrophobicContact CG2-CG2 4.35Å; T81-R257 HydrophobicContact CG2-CB 3.85Å
82V96.4Very high97.2Very high14 Ų1435.5 Ų35.59%0.08519%0.187CC..Hα-helixtrans-64.9-35.3-177.9175.50000112.9A77 D78 Q79 K84 F85 Y112 I299A77-V82 HydrophobicContact CB-CG2 4.02Å; D78-V82 PolarHBondContact O-N 2.99Å; Q79-V82 PolarHBondContact O-N 3.27Å; Q79-V82 VanDerWaalsContact O-N 3.12Å; V82-K84 PolarHBondContact O-N 2.91Å; V82-K84 VanDerWaalsContact O-N 3.07Å; V82-F85 HydrophobicContact CB-CD2 4.28Å; V82-F85 HydrophobicContact CB-CE2 4.31Å; V82-F85 HydrophobicContact CG1-CD2 4.14Å; V82-F85 HydrophobicContact CG2-CD2 4.21Å; V82-F85 HydrophobicContact CG2-CE2 3.76Å; V82-F85 HydrophobicContact CG2-CZ 4.33Å; V82-F85 WeakPolarHBondContact O-CB 3.49Å; V82-F85 PolarHBondContact O-N 2.8Å; V82-Y112 HydrophobicContact CG1-CE1 4.39Å; V82-I299 HydrophobicContact CB-CD1 4.08Å; V82-I299 HydrophobicContact CG1-CD1 4.28Å; V82-I299 HydrophobicContact CG2-CD1 3.4Å
83D96.8Very high97.3Very high83 Ų8333.1 Ų33.144%0.44418%0.176SC..THydrogen-bonded Turntrans-61.3-20.4179.5-71.3-18.4000113.4Q79 T81 K87Q79-D83 PolarHBondContact NE2-OD1 3.45Å; Q79-D83 PolarHBondContact O-N 2.76Å; T81-D83 VanDerWaalsContact C-N 3.33Å; T81-D83 PolarHBondContact O-N 3.02Å; D83-K87 WeakPolarHBondContact O-CD 3.44Å; D83-K87 PolarHBondContact O-NZ 3.08Å
84K98Very high97.4Very high99 Ų9932.7 Ų32.743%0.4317%0.172SC..THydrogen-bonded Turntrans-89.7-16.4176.9-62.6-66.8-176.1176.40114.1T81 V82 G86 K87 E88T81-K84 PolarHBondContact O-N 3.43Å; V82-K84 PolarHBondContact O-N 2.91Å; V82-K84 VanDerWaalsContact O-N 3.07Å; K84-G86 PolarHBondContact O-N 3.13Å; K84-K87 PolarHBondContact O-N 3.45Å; K84-E88 HydrophobicContact CB-CG 4.41Å; K84-E88 WeakPolarHBondContact CB-OE1 3.46Å
85F97.7Very high97.4Very high7 Ų732.7 Ų32.73%0.03117%0.172CC..THydrogen-bonded Turntrans-60132.1-176.1-69-12.8000112.3I75 T81 V82 K87 M108 Y112 W170 Y226 I255I75-F85 HydrophobicContact CD1-CE2 4.46Å; I75-F85 HydrophobicContact CG2-CE2 4.49Å; T81-F85 HydrophobicContact CG2-CE1 3.59Å; T81-F85 HydrophobicContact CG2-CZ 3.71Å; T81-F85 WeakPolarHBondContact O-CD1 3.46Å; V82-F85 HydrophobicContact CB-CD2 4.28Å; V82-F85 HydrophobicContact CB-CE2 4.31Å; V82-F85 HydrophobicContact CG1-CD2 4.14Å; V82-F85 HydrophobicContact CG2-CD2 4.21Å; V82-F85 HydrophobicContact CG2-CE2 3.76Å; V82-F85 HydrophobicContact CG2-CZ 4.33Å; V82-F85 WeakPolarHBondContact O-CB 3.49Å; V82-F85 PolarHBondContact O-N 2.8Å; F85-K87 PolarHBondContact O-N 3.33Å; F85-M108 HydrophobicContact CE2-CE 4.14Å; F85-Y112 HydrophobicContact CB-CD1 3.42Å; F85-Y112 VanDerWaalsContact CB-CD1 3.42Å; F85-Y112 HydrophobicContact CB-CD2 4Å; F85-Y112 HydrophobicContact CB-CE1 3.71Å; F85-Y112 HydrophobicContact CB-CE2 4.27Å; F85-Y112 HydrophobicContact CB-CG 3.59Å; F85-Y112 HydrophobicContact CD2-CD1 4.4Å; F85-Y112 HydrophobicContact CD2-CD2 4.04Å; F85-Y112 AromaticContact CD2-CE1 3.96Å; F85-Y112 HydrophobicContact CD2-CE1 3.96Å; F85-Y112 AromaticContact CD2-CE2 3.59Å; F85-Y112 HydrophobicContact CD2-CE2 3.59Å; F85-Y112 HydrophobicContact CD2-CG 4.44Å; F85-Y112 AromaticContact CD2-CZ 3.53Å; F85-Y112 HydrophobicContact CE2-CE2 4.38Å; F85-Y112 HydrophobicContact CG-CD1 4.44Å; F85-Y112 HydrophobicContact CG-CD2 4.41Å; F85-Y112 HydrophobicContact CG-CE1 4.37Å; F85-Y112 HydrophobicContact CG-CE2 4.37Å; F85-Y112 HydrophobicContact CG-CG 4.47Å; F85-W170 HydrophobicContact CB-CH2 4.18Å; F85-W170 HydrophobicContact CB-CZ2 4.02Å; F85-W170 HydrophobicContact CD1-CH2 4.23Å; F85-W170 HydrophobicContact CD1-CZ2 4.19Å; F85-W170 HydrophobicContact CG-CH2 4.13Å; F85-W170 HydrophobicContact CG-CZ2 4.25Å; F85-Y226 HydrophobicContact CD1-CD2 4.22Å; F85-Y226 AromaticContact CD1-CE2 3.37Å; F85-Y226 HydrophobicContact CD1-CE2 3.37Å; F85-Y226 AromaticContact CD1-CZ 3.68Å; F85-Y226 AromaticContact CE1-CD2 3.92Å; F85-Y226 HydrophobicContact CE1-CD2 3.92Å; F85-Y226 AromaticContact CE1-CE2 3.5Å; F85-Y226 HydrophobicContact CE1-CE2 3.5Å; F85-Y226 VanDerWaalsContact CE1-CE2 3.5Å; F85-Y226 AromaticContact CE1-CZ 3.86Å; F85-I255 HydrophobicContact CE1-CG2 4.09Å; F85-I255 HydrophobicContact CE2-CD1 4.14Å; F85-I255 HydrophobicContact CZ-CB 4.17Å; F85-I255 HydrophobicContact CZ-CD1 3.81Å; F85-I255 HydrophobicContact CZ-CG2 3.76Å
86G96.9Very high97.2Very high15 Ų1534.4 Ų34.416%0.15518%0.18CC..THydrogen-bonded Turntrans73.96.7-178.400000115.1K84 Y112 F168K84-G86 PolarHBondContact O-N 3.13Å; G86-Y112 WeakPolarHBondContact CA-O 3.4Å; G86-F168 WeakPolarHBondContact O-CD2 3.48Å
87K97.6Very high96.9Very high138 Ų13835.6 Ų35.660%0.619%0.187SC*.SBendtrans-121.59.2-175.8-56.9177.4-167.7159.80114.1D83 K84 F85 F168D83-K87 WeakPolarHBondContact O-CD 3.44Å; D83-K87 PolarHBondContact O-NZ 3.08Å; K84-K87 PolarHBondContact O-N 3.45Å; F85-K87 PolarHBondContact O-N 3.33Å; K87-F168 VanDerWaalsContact C-CZ 3.49Å; K87-F168 WeakPolarHBondContact O-CE1 3.23Å; K87-F168 WeakPolarHBondContact O-CZ 3.4Å
88E97.6Very high96.6Very high11 Ų1136.8 Ų36.85%0.05119%0.19CC..SBendtrans-152.4154.4178.650.2177.6-172.700110.9K84 V90 F168 S223 Y226 R257K84-E88 HydrophobicContact CB-CG 4.41Å; K84-E88 WeakPolarHBondContact CB-OE1 3.46Å; E88-V90 HydrophobicContact CB-CG1 4.46Å; E88-V90 HydrophobicContact CG-CG1 3.72Å; E88-F168 VanDerWaalsContact C-CD1 3.48Å; E88-F168 VanDerWaalsContact CA-CD1 3.48Å; E88-S223 WeakPolarHBondContact OE2-CB 3.36Å; E88-Y226 VanDerWaalsContact OE1-CE1 3.29Å; E88-Y226 WeakPolarHBondContact OE1-CE1 3.47Å; E88-Y226 VanDerWaalsContact OE1-CZ 3.3Å; E88-Y226 PolarHBondContact OE1-OH 2.67Å; E88-R257 IonicContact OE1-CZ 3.69Å; E88-R257 IonicContact OE1-NE 3.55Å; E88-R257 PolarHBondContact OE1-NE 2.8Å; E88-R257 IonicContact OE1-NH2 2.76Å; E88-R257 PolarHBondContact OE1-NH2 2.98Å; E88-R257 IonicContact OE2-CZ 2.83Å; E88-R257 IonicContact OE2-NE 3.77Å; E88-R257 IonicContact OE2-NH2 3.52Å; E88-R257 PolarHBondContact OE2-NH2 3.3Å
89H98.1Very high96.3Very high27 Ų2736.7 Ų36.713%0.12519%0.188CC..  trans-77.9133.2168.4-62.4-97.9000108.9E167 F168 M169 T221 V222 S223H89-E167 PolarHBondContact CE1-O 2.74Å; H89-F168 AromaticContact CD2-CD1 3.66Å; H89-F168 AromaticContact NE2-CD1 3.77Å; H89-M169 CarbonylContact C-O 3.52Å; H89-M169 WeakPolarHBondContact CA-O 3.15Å; H89-M169 WeakPolarHBondContact ND1-CB 3.43Å; H89-M169 PolarHBondContact ND1-N 2.9Å; H89-T221 HydrophobicContact CB-CG2 4.41Å; H89-T221 WeakPolarHBondContact CB-O 3.06Å; H89-V222 HydrophobicContact CB-CG1 4.02Å; H89-V222 CarbonylContact O-C 3.6Å; H89-V222 WeakPolarHBondContact O-CA 3.34Å; H89-S223 PolarHBondContact O-N 3.21Å
90V98.3Very high96.2Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-141.1152.8-175.8-56.90000112.3E88 I92 M169 W170 F171 A224 Y226E88-V90 HydrophobicContact CB-CG1 4.46Å; E88-V90 HydrophobicContact CG-CG1 3.72Å; V90-I92 HydrophobicContact CG2-CG1 4.01Å; V90-M169 PolarHBondContact N-O 3.33Å; V90-W170 HydrophobicContact CG2-CB 4.37Å; V90-W170 VanDerWaalsContact CG2-CD1 3.45Å; V90-W170 HydrophobicContact CG2-CD2 4.18Å; V90-W170 HydrophobicContact CG2-CG 3.77Å; V90-F171 PolarHBondContact O-N 3.25Å; V90-A224 VanDerWaalsContact CA-O 3.24Å; V90-A224 WeakPolarHBondContact CA-O 3.41Å; V90-A224 WeakPolarHBondContact CB-O 3.49Å; V90-A224 HydrophobicContact CG1-CB 4.13Å; V90-Y226 HydrophobicContact CB-CD1 4.42Å; V90-Y226 HydrophobicContact CB-CD2 4.36Å; V90-Y226 HydrophobicContact CB-CE1 4.42Å; V90-Y226 HydrophobicContact CB-CE2 4.39Å; V90-Y226 HydrophobicContact CB-CG 4.38Å; V90-Y226 HydrophobicContact CG1-CD1 4.19Å; V90-Y226 HydrophobicContact CG1-CD2 4.42Å; V90-Y226 HydrophobicContact CG1-CE1 3.73Å; V90-Y226 HydrophobicContact CG1-CE2 4Å; V90-Y226 HydrophobicContact CG2-CD2 3.82Å; V90-Y226 HydrophobicContact CG2-CE2 3.91Å; V90-Y226 HydrophobicContact CG2-CG 4.26Å
91I98.5Very high96.1Very high0 Ų028.2 Ų28.20%014%0.137CC..EExtended strand (participates in β ladder)trans-93.4130.8163.1-62.6169.8000107.4F171 L173 F211 T214 L215 V222 A224 V225 Y226I91-F171 CarbonylContact C-O 3.57Å; I91-F171 WeakPolarHBondContact CA-O 3.46Å; I91-L173 HydrophobicContact CG2-CD1 3.64Å; I91-L173 HydrophobicContact CG2-CG 4.18Å; I91-F211 HydrophobicContact CG2-CD2 4.36Å; I91-F211 HydrophobicContact CG2-CE2 4.32Å; I91-T214 HydrophobicContact CD1-CG2 3.76Å; I91-T214 HydrophobicContact CG1-CG2 4.07Å; I91-L215 HydrophobicContact CD1-CB 4.11Å; I91-L215 HydrophobicContact CD1-CD1 3.91Å; I91-V222 HydrophobicContact CD1-CG2 4.13Å; I91-V222 HydrophobicContact CG1-CG1 4.21Å; I91-V222 HydrophobicContact CG1-CG2 4.33Å; I91-A224 PolarHBondContact N-O 3.28Å; I91-A224 VanDerWaalsContact N-O 3.1Å; I91-V225 HydrophobicContact CB-CG2 4.24Å; I91-V225 CarbonylContact O-C 3.58Å; I91-V225 VanDerWaalsContact O-CA 3.26Å; I91-V225 WeakPolarHBondContact O-CA 3.14Å; I91-Y226 PolarHBondContact O-N 3.25Å
92I98.4Very high96Very high18 Ų1831.4 Ų31.49%0.09215%0.15CC..EExtended strand (participates in β ladder)trans-105.3127.1176.6-58.3-179.5000108.5V90 W170 F171 L172 L173 Y226 V228V90-I92 HydrophobicContact CG2-CG1 4.01Å; I92-W170 HydrophobicContact CD1-CB 3.76Å; I92-W170 HydrophobicContact CD1-CD2 3.84Å; I92-W170 HydrophobicContact CD1-CE3 3.47Å; I92-W170 VanDerWaalsContact CD1-CE3 3.47Å; I92-W170 HydrophobicContact CD1-CG 4.01Å; I92-W170 HydrophobicContact CD1-CZ3 4.3Å; I92-F171 PolarHBondContact N-O 3.48Å; I92-L172 HydrophobicContact CB-CD1 4.14Å; I92-L172 HydrophobicContact CG2-CD1 3.84Å; I92-L173 PolarHBondContact O-N 3.28Å; I92-Y226 WeakPolarHBondContact CA-O 3.34Å; I92-V228 HydrophobicContact CG2-CB 4.46Å; I92-V228 HydrophobicContact CG2-CG2 3.75Å
93I98.3Very high95.9Very high0 Ų030.9 Ų30.90%015%0.147CC..EExtended strand (participates in β ladder)trans-105.9113.9170.2-58.8172.9000107.8L173 F211 V225 Y226 V228 W273 L274 L277 Y278I93-L173 WeakPolarHBondContact CA-O 3.48Å; I93-F211 HydrophobicContact CD1-CD2 3.89Å; I93-F211 HydrophobicContact CD1-CE2 3.67Å; I93-F211 HydrophobicContact CD1-CZ 4.21Å; I93-F211 HydrophobicContact CG1-CD2 4.33Å; I93-F211 HydrophobicContact CG1-CE2 4.36Å; I93-V225 HydrophobicContact CD1-CG1 3.62Å; I93-V225 HydrophobicContact CG1-CG1 3.94Å; I93-Y226 PolarHBondContact N-O 2.73Å; I93-V228 PolarHBondContact O-N 2.97Å; I93-W273 HydrophobicContact CD1-CZ3 4.25Å; I93-L274 HydrophobicContact CD1-CD1 3.74Å; I93-L277 HydrophobicContact CD1-CD2 3.68Å; I93-Y278 HydrophobicContact CG2-CE2 3.96Å
94L97.9Very high95.9Very high5 Ų526.9 Ų26.93%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-116.3140.2-179.9-174.257.2000109.9D101 L172 L173 Y174 V228 L230L94-D101 HydrophobicContact CD2-CB 4.32Å; L94-L172 HydrophobicContact CB-CD1 3.65Å; L94-L172 HydrophobicContact CD2-CD1 4.14Å; L94-L173 PolarHBondContact N-O 3.3Å; L94-L173 VanDerWaalsContact N-O 3.13Å; L94-Y174 HydrophobicContact CB-CD1 4.13Å; L94-Y174 HydrophobicContact CB-CE1 3.82Å; L94-Y174 HydrophobicContact CD2-CE1 3.71Å; L94-Y174 HydrophobicContact CG-CD1 4.45Å; L94-Y174 HydrophobicContact CG-CE1 3.74Å; L94-Y174 VanDerWaalsContact O-CD1 3.29Å; L94-Y174 WeakPolarHBondContact O-CD1 3.12Å; L94-V228 HydrophobicContact CD1-CB 3.76Å; L94-V228 HydrophobicContact CD1-CG1 3.51Å; L94-L230 HydrophobicContact CD1-CB 3.86Å
95N96.6Very high95.9Very high0 Ų023.1 Ų23.10%012%0.115CC..  trans-67.8150.2167.664-58000110.7E176 H203 T229 L230N95-E176 VanDerWaalsContact CA-OE1 3.26Å; N95-E176 WeakPolarHBondContact CA-OE1 3.43Å; N95-H203 VanDerWaalsContact CB-CE1 3.46Å; N95-H203 WeakPolarHBondContact CB-CE1 3.38Å; N95-T229 WeakPolarHBondContact OD1-CA 3.46Å; N95-L230 PolarHBondContact ND2-O 3.34Å; N95-L230 PolarHBondContact OD1-N 2.81Å
96H93.8Very high95.9Very high36 Ų3624 Ų2417%0.16712%0.118CC..  trans-117.980.5-174.2-156.514.2000112.4D101 Y174 E176 R179 F180H96-D101 VanDerWaalsContact CA-OD2 3.31Å; H96-D101 WeakPolarHBondContact CA-OD2 3.35Å; H96-D101 IonicContact CE1-OD2 3.51Å; H96-D101 IonicContact CG-OD2 3.25Å; H96-D101 IonicContact ND1-OD2 3.28Å; H96-D101 PolarHBondContact ND1-OD2 3.44Å; H96-Y174 HydrophobicContact CB-CD1 3.47Å; H96-Y174 VanDerWaalsContact CB-CD1 3.47Å; H96-Y174 HydrophobicContact CB-CE1 4.02Å; H96-Y174 HydrophobicContact CB-CG 4.06Å; H96-Y174 AromaticContact CD2-CG 3.95Å; H96-Y174 AromaticContact CG-CD1 3.57Å; H96-Y174 AromaticContact CG-CE1 3.85Å; H96-Y174 AromaticContact CG-CG 3.91Å; H96-Y174 AromaticContact ND1-CD1 3.91Å; H96-Y174 AromaticContact ND1-CE1 3.67Å; H96-E176 PolarHBondContact N-OE1 3.29Å; H96-R179 PolarHBondContact CD2-N 2.83Å; H96-R179 WeakPolarHBondContact CE1-CG 3.41Å; H96-R179 VanDerWaalsContact NE2-CG 3.3Å; H96-R179 WeakPolarHBondContact NE2-CG 3.46Å; H96-R179 CarbonylContact O-C 3.59Å; H96-R179 WeakPolarHBondContact O-CA 3.36Å; H96-F180 PolarHBondContact O-N 3.16Å
97N91.1Very high95.9Very high32 Ų3223.4 Ų23.417%0.17111%0.111CC..  trans-111.5-32.3-173.4-7226.1000112.8D101N97-D101 PolarHBondContact N-OD2 2.85Å
98Y92.3Very high95.7Very high29 Ų2917.1 Ų17.111%0.1148%0.084CC..SBendtrans-119.8163.7-170.1-45.3-81.1000112.7I100 D101 N231 F232 V237 P238Y98-I100 VanDerWaalsContact C-N 3.3Å; Y98-I100 PolarHBondContact O-N 2.79Å; Y98-D101 WeakPolarHBondContact CA-OD1 3.46Å; Y98-D101 WeakPolarHBondContact CB-OD1 3.44Å; Y98-D101 VanDerWaalsContact CD2-OD1 3.29Å; Y98-D101 WeakPolarHBondContact CD2-OD1 3.35Å; Y98-D101 VanDerWaalsContact N-CG 3.34Å; Y98-D101 PolarHBondContact N-OD1 3.24Å; Y98-D101 PolarHBondContact N-OD2 3.22Å; Y98-N231 PolarHBondContact OH-OD1 3.47Å; Y98-F232 HydrophobicContact CD1-CD2 4.32Å; Y98-F232 AromaticContact CD2-CD2 3.6Å; Y98-F232 HydrophobicContact CD2-CD2 3.6Å; Y98-F232 AromaticContact CD2-CE2 3.55Å; Y98-F232 HydrophobicContact CD2-CE2 3.55Å; Y98-F232 HydrophobicContact CE1-CD2 4.32Å; Y98-F232 AromaticContact CE2-CD2 3.65Å; Y98-F232 HydrophobicContact CE2-CD2 3.65Å; Y98-F232 HydrophobicContact CE2-CE2 4.04Å; Y98-F232 AromaticContact CG-CD2 3.96Å; Y98-F232 HydrophobicContact CG-CD2 3.96Å; Y98-F232 AromaticContact CG-CE2 3.89Å; Y98-F232 HydrophobicContact CG-CE2 3.89Å; Y98-V237 HydrophobicContact CD1-CG1 4.43Å; Y98-P238 HydrophobicContact CD1-CG 4.2Å; Y98-P238 HydrophobicContact CG-CG 4.09Å
99E89.3Confident95.8Very high72 Ų7216.9 Ų16.934%0.3368%0.083SC..THydrogen-bonded Turntrans-67-34.6178.8-170.1-175.1176.900112F102 T239 L240E99-F102 VanDerWaalsContact O-CE1 3.3Å; E99-F102 WeakPolarHBondContact O-CE1 3.37Å; E99-T239 WeakPolarHBondContact OE2-CA 3.34Å; E99-T239 VanDerWaalsContact OE2-CB 3.29Å; E99-T239 WeakPolarHBondContact OE2-CB 3.37Å; E99-L240 WeakPolarHBondContact OE1-CB 3.29Å; E99-L240 PolarHBondContact OE2-N 2.8Å; E99-L240 VanDerWaalsContact OE2-N 3.08Å
100I93.1Very high95.8Very high0 Ų015.6 Ų15.60%08%0.077CC..THydrogen-bonded Turntrans-100.115.4-173.369.7160.8000113.7L65 Y98 F102 L103 C104 F232 P238 L240 I243L65-I100 HydrophobicContact CD1-CD1 4.15Å; Y98-I100 VanDerWaalsContact C-N 3.3Å; Y98-I100 PolarHBondContact O-N 2.79Å; I100-F102 VanDerWaalsContact C-N 3.25Å; I100-F102 PolarHBondContact O-N 3.23Å; I100-L103 HydrophobicContact CB-CB 4.31Å; I100-L103 WeakPolarHBondContact O-CB 3.33Å; I100-L103 PolarHBondContact O-N 3.15Å; I100-C104 PolarHBondContact O-N 2.99Å; I100-C104 VanDerWaalsContact O-N 3.13Å; I100-F232 HydrophobicContact CD1-CE1 3.94Å; I100-F232 HydrophobicContact CD1-CZ 3.79Å; I100-F232 HydrophobicContact CG1-CE1 4.49Å; I100-F232 HydrophobicContact CG1-CZ 3.87Å; I100-P238 HydrophobicContact CD1-CB 3.44Å; I100-P238 VanDerWaalsContact CD1-CB 3.44Å; I100-P238 HydrophobicContact CD1-CG 3.86Å; I100-P238 HydrophobicContact CG1-CB 3.63Å; I100-P238 HydrophobicContact CG1-CG 3.58Å; I100-L240 HydrophobicContact CG2-CB 4.47Å; I100-I243 HydrophobicContact CD1-CD1 4.18Å; I100-I243 HydrophobicContact CD1-CG1 4.29Å; I100-I243 HydrophobicContact CG2-CG1 4.34Å
101D94.7Very high95.7Very high0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-50-48.6-179-65.8-18.8000111.7L94 H96 N97 Y98 L103 C104 G105 Y174 L230L94-D101 HydrophobicContact CD2-CB 4.32Å; H96-D101 VanDerWaalsContact CA-OD2 3.31Å; H96-D101 WeakPolarHBondContact CA-OD2 3.35Å; H96-D101 IonicContact CE1-OD2 3.51Å; H96-D101 IonicContact CG-OD2 3.25Å; H96-D101 IonicContact ND1-OD2 3.28Å; H96-D101 PolarHBondContact ND1-OD2 3.44Å; N97-D101 PolarHBondContact N-OD2 2.85Å; Y98-D101 WeakPolarHBondContact CA-OD1 3.46Å; Y98-D101 WeakPolarHBondContact CB-OD1 3.44Å; Y98-D101 VanDerWaalsContact CD2-OD1 3.29Å; Y98-D101 WeakPolarHBondContact CD2-OD1 3.35Å; Y98-D101 VanDerWaalsContact N-CG 3.34Å; Y98-D101 PolarHBondContact N-OD1 3.24Å; Y98-D101 PolarHBondContact N-OD2 3.22Å; D101-L103 VanDerWaalsContact C-N 3.27Å; D101-L103 PolarHBondContact O-N 2.74Å; D101-C104 PolarHBondContact O-N 3.37Å; D101-G105 PolarHBondContact O-N 3.2Å; D101-G105 VanDerWaalsContact O-N 3.07Å; D101-Y174 HydrophobicContact CB-CE1 4.21Å; D101-Y174 WeakPolarHBondContact CB-OH 3.48Å; D101-L230 HydrophobicContact CB-CD2 4.05Å; D101-L230 WeakPolarHBondContact OD1-CD2 3.3Å
102F93.9Very high95.6Very high73 Ų7319.4 Ų19.432%0.329%0.092SC..Hα-helixtrans-62.8-34.2-179.573.9-87.7000112.1E99 I100 G105 W106 Y174E99-F102 VanDerWaalsContact O-CE1 3.3Å; E99-F102 WeakPolarHBondContact O-CE1 3.37Å; I100-F102 VanDerWaalsContact C-N 3.25Å; I100-F102 PolarHBondContact O-N 3.23Å; F102-G105 PolarHBondContact O-N 3.45Å; F102-W106 HydrophobicContact CD2-CD2 4.28Å; F102-W106 AromaticContact CD2-CE3 3.97Å; F102-W106 HydrophobicContact CD2-CE3 3.97Å; F102-W106 HydrophobicContact CD2-CH2 4.31Å; F102-W106 AromaticContact CD2-CZ3 3.97Å; F102-W106 HydrophobicContact CD2-CZ3 3.97Å; F102-W106 HydrophobicContact CE2-CE3 4.11Å; F102-W106 HydrophobicContact CE2-CH2 4.4Å; F102-W106 AromaticContact CE2-CZ3 3.85Å; F102-W106 HydrophobicContact CE2-CZ3 3.85Å; F102-W106 PolarHBondContact O-N 3Å; F102-Y174 PolarHBondContact N-OH 3.03Å
103L95.9Very high95.5Very high3 Ų320.5 Ų20.52%0.01611%0.107CC..Hα-helixtrans-73.7-36.5-177.2-16657.4000110.9L61 L65 I100 D101 W106 T107L61-L103 HydrophobicContact CB-CD1 3.76Å; L65-L103 HydrophobicContact CB-CD2 3.88Å; L65-L103 HydrophobicContact CB-CG 3.96Å; L65-L103 HydrophobicContact CD1-CD2 4.15Å; L65-L103 HydrophobicContact CD1-CG 4.43Å; L65-L103 HydrophobicContact CD2-CB 4.36Å; L65-L103 HydrophobicContact CD2-CD2 4.4Å; L65-L103 HydrophobicContact CD2-CG 3.81Å; L65-L103 WeakPolarHBondContact CD2-O 3.47Å; L65-L103 HydrophobicContact CG-CD2 4.35Å; L65-L103 HydrophobicContact CG-CG 4.27Å; I100-L103 HydrophobicContact CB-CB 4.31Å; I100-L103 WeakPolarHBondContact O-CB 3.33Å; I100-L103 PolarHBondContact O-N 3.15Å; D101-L103 VanDerWaalsContact C-N 3.27Å; D101-L103 PolarHBondContact O-N 2.74Å; L103-W106 HydrophobicContact CD1-CE3 4.05Å; L103-W106 PolarHBondContact O-N 3.02Å; L103-T107 PolarHBondContact O-N 2.99Å
104C96.8Very high95.5Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-63.7-41.8169.3-69.70000111.6I100 D101 W106 T107 M108 L230 F232 M253I100-C104 PolarHBondContact O-N 2.99Å; I100-C104 VanDerWaalsContact O-N 3.13Å; D101-C104 PolarHBondContact O-N 3.37Å; C104-W106 VanDerWaalsContact C-N 3.33Å; C104-W106 PolarHBondContact O-N 3.16Å; C104-T107 WeakPolarHBondContact O-CB 3.17Å; C104-T107 PolarHBondContact O-N 3.25Å; C104-M108 PolarHBondContact O-N 3.34Å; C104-L230 HydrophobicContact CB-CD1 4.16Å; C104-L230 HydrophobicContact CB-CD2 4.01Å; C104-F232 VanDerWaalsContact SG-CZ 3.58Å; C104-M253 HydrophobicContact CB-SD 4.3Å
105G96.4Very high95.5Very high20 Ų2020.6 Ų20.621%0.20611%0.108CC..Hα-helixtrans-60.5-39.5171.800000113D101 F102 M108 C109D101-G105 PolarHBondContact O-N 3.2Å; D101-G105 VanDerWaalsContact O-N 3.07Å; F102-G105 PolarHBondContact O-N 3.45Å; G105-M108 WeakPolarHBondContact O-CB 3.19Å; G105-M108 PolarHBondContact O-N 2.79Å; G105-C109 PolarHBondContact O-N 3.4Å; G105-C109 PolarHBondContact O-SG 2.88Å
106W97.6Very high95.5Very high26 Ų2620.8 Ų20.810%0.09811%0.11CC..Hα-helixtrans-69.6-33175.4-79.7-8.4000113.9W58 L61 V62 F102 L103 C104 M108 C109 E110 L115 S118W58-W106 HydrophobicContact CB-CE3 4.49Å; W58-W106 HydrophobicContact CB-CZ3 4.49Å; W58-W106 AromaticContact CD2-CH2 3.74Å; W58-W106 HydrophobicContact CD2-CH2 3.74Å; W58-W106 HydrophobicContact CD2-CZ2 4.11Å; W58-W106 HydrophobicContact CD2-CZ3 4.21Å; W58-W106 AromaticContact CE3-CH2 3.52Å; W58-W106 HydrophobicContact CE3-CH2 3.52Å; W58-W106 HydrophobicContact CE3-CZ2 4.33Å; W58-W106 AromaticContact CE3-CZ3 3.85Å; W58-W106 HydrophobicContact CE3-CZ3 3.85Å; W58-W106 HydrophobicContact CG-CH2 4.27Å; W58-W106 HydrophobicContact CG-CZ2 4.38Å; W58-W106 HydrophobicContact CG-CZ3 4.48Å; W58-W106 HydrophobicContact CH2-CH2 4.49Å; W58-W106 AromaticContact CZ3-CH2 3.93Å; W58-W106 HydrophobicContact CZ3-CH2 3.93Å; L61-W106 HydrophobicContact CD1-CZ3 3.72Å; V62-W106 HydrophobicContact CG2-CB 3.89Å; F102-W106 HydrophobicContact CD2-CD2 4.28Å; F102-W106 AromaticContact CD2-CE3 3.97Å; F102-W106 HydrophobicContact CD2-CE3 3.97Å; F102-W106 HydrophobicContact CD2-CH2 4.31Å; F102-W106 AromaticContact CD2-CZ3 3.97Å; F102-W106 HydrophobicContact CD2-CZ3 3.97Å; F102-W106 HydrophobicContact CE2-CE3 4.11Å; F102-W106 HydrophobicContact CE2-CH2 4.4Å; F102-W106 AromaticContact CE2-CZ3 3.85Å; F102-W106 HydrophobicContact CE2-CZ3 3.85Å; F102-W106 PolarHBondContact O-N 3Å; L103-W106 HydrophobicContact CD1-CE3 4.05Å; L103-W106 PolarHBondContact O-N 3.02Å; C104-W106 VanDerWaalsContact C-N 3.33Å; C104-W106 PolarHBondContact O-N 3.16Å; W106-M108 PolarHBondContact O-N 2.96Å; W106-C109 PolarHBondContact O-N 3.23Å; W106-E110 WeakPolarHBondContact O-CB 3.35Å; W106-E110 PolarHBondContact O-N 3Å; W106-L115 HydrophobicContact CB-CD1 3.64Å; W106-L115 HydrophobicContact CD2-CD1 4.18Å; W106-L115 HydrophobicContact CG-CD1 3.63Å; W106-S118 PolarHBondContact NE1-OG 3.07Å
107T96.7Very high95.7Very high1 Ų119.1 Ų19.11%0.00610%0.103CC..Hα-helixtrans-55.3-43.2167.7-91.20000110.7L65 E66 C73 L103 C104 E110 R111L65-T107 WeakPolarHBondContact CD2-OG1 3.49Å; E66-T107 WeakPolarHBondContact CG-OG1 3.33Å; E66-T107 WeakPolarHBondContact OE1-CB 3.48Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.41Å; E66-T107 PolarHBondContact OE1-OG1 2.92Å; C73-T107 HydrophobicContact CB-CG2 3.85Å; L103-T107 PolarHBondContact O-N 2.99Å; C104-T107 WeakPolarHBondContact O-CB 3.17Å; C104-T107 PolarHBondContact O-N 3.25Å; T107-E110 WeakPolarHBondContact O-CB 3.25Å; T107-E110 PolarHBondContact O-N 3.12Å; T107-R111 VanDerWaalsContact O-CG 3.28Å; T107-R111 WeakPolarHBondContact O-CG 3.38Å; T107-R111 PolarHBondContact O-N 2.86Å
108M95.4Very high96Very high6 Ų618 Ų183%0.0310%0.098CC..Hα-helixtrans-63.2-47.2175.5-64.2-65.1-67.800111.8I75 F85 C104 G105 W106 E110 R111 Y112 W170 M253 I255I75-M108 HydrophobicContact CD1-CE 3.13Å; I75-M108 HydrophobicContact CD1-SD 3.57Å; I75-M108 VanDerWaalsContact CD1-SD 3.57Å; I75-M108 HydrophobicContact CG1-CE 3.54Å; I75-M108 HydrophobicContact CG1-SD 3.63Å; F85-M108 HydrophobicContact CE2-CE 4.14Å; C104-M108 PolarHBondContact O-N 3.34Å; G105-M108 WeakPolarHBondContact O-CB 3.19Å; G105-M108 PolarHBondContact O-N 2.79Å; W106-M108 PolarHBondContact O-N 2.96Å; M108-E110 PolarHBondContact O-N 3.4Å; M108-R111 PolarHBondContact O-N 3.17Å; M108-R111 VanDerWaalsContact O-N 3.14Å; M108-Y112 HydrophobicContact CE-CD2 4.47Å; M108-Y112 HydrophobicContact CE-CE2 3.97Å; M108-Y112 WeakPolarHBondContact O-CD2 3.48Å; M108-Y112 PolarHBondContact O-N 3.04Å; M108-W170 HydrophobicContact CB-CZ3 4.12Å; M108-M253 HydrophobicContact CG-CE 3.35Å; M108-M253 HydrophobicContact CG-SD 3.78Å; M108-M253 HydrophobicContact SD-CE 3.48Å; M108-M253 WeakPolarHBondContact SD-CE 3.3Å; M108-I255 HydrophobicContact CE-CD1 3.5Å; M108-I255 VanDerWaalsContact CE-CD1 3.5Å
109C97.8Very high96.2Very high6 Ų617 Ų174%0.0419%0.094CC..Hα-helixtrans-59.1-36.8177.5-59.10000111.9G105 W106 G113 V114 L115G105-C109 PolarHBondContact O-N 3.4Å; G105-C109 PolarHBondContact O-SG 2.88Å; W106-C109 PolarHBondContact O-N 3.23Å; C109-G113 PolarHBondContact O-N 3.29Å; C109-G113 VanDerWaalsContact O-N 3.08Å; C109-V114 HydrophobicContact CB-CG2 3.89Å; C109-V114 PolarHBondContact O-N 3.31Å; C109-L115 HydrophobicContact CB-CB 4.11Å; C109-L115 HydrophobicContact CB-CD1 4.16Å; C109-L115 PolarHBondContact O-N 3.14Å; C109-L115 VanDerWaalsContact O-N 3.14Å
110E98Very high96.5Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-62.2-51.2174.5174.156.3-145.400110.9Y55 V62 W106 T107 M108 Y112 G113 L115 R304 T307Y55-E110 WeakPolarHBondContact CE2-OE2 3.46Å; Y55-E110 PolarHBondContact OH-OE1 3.24Å; Y55-E110 PolarHBondContact OH-OE2 3.35Å; V62-E110 HydrophobicContact CG1-CB 3.99Å; V62-E110 HydrophobicContact CG1-CG 4.11Å; W106-E110 WeakPolarHBondContact O-CB 3.35Å; W106-E110 PolarHBondContact O-N 3Å; T107-E110 WeakPolarHBondContact O-CB 3.25Å; T107-E110 PolarHBondContact O-N 3.12Å; M108-E110 PolarHBondContact O-N 3.4Å; E110-Y112 PolarHBondContact O-N 3.4Å; E110-G113 PolarHBondContact O-N 2.93Å; E110-G113 VanDerWaalsContact O-N 3.17Å; E110-L115 HydrophobicContact CB-CD2 4.29Å; E110-L115 VanDerWaalsContact OE2-CD2 3.29Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.28Å; E110-R304 HydrophobicContact CG-CB 4.44Å; E110-R304 WeakPolarHBondContact O-CD 3.48Å; E110-R304 PolarHBondContact O-NH1 3.28Å; E110-R304 WeakPolarHBondContact OE1-CB 3.21Å; E110-R304 WeakPolarHBondContact OE1-CD 3.33Å; E110-R304 IonicContact OE1-CZ 2.75Å; E110-R304 IonicContact OE1-NE 3.54Å; E110-R304 IonicContact OE1-NH1 3.53Å; E110-R304 PolarHBondContact OE1-NH1 2.94Å; E110-T307 HydrophobicContact CG-CG2 3.58Å
111R96.4Very high96.4Very high31 Ų3116.8 Ų16.812%0.11710%0.096CC..Hα-helixtrans-62.1-29.1-174.6-61.4-31.7176.469.519.9113E66 T107 M108 P301 P302 R303E66-R111 IonicContact OE1-CZ 3.56Å; E66-R111 IonicContact OE1-NE 2.83Å; E66-R111 PolarHBondContact OE1-NE 3.08Å; E66-R111 IonicContact OE1-NH2 3.52Å; E66-R111 PolarHBondContact OE1-NH2 2.91Å; E66-R111 IonicContact OE2-CZ 2.73Å; E66-R111 IonicContact OE2-NE 2.84Å; E66-R111 PolarHBondContact OE2-NE 2.89Å; E66-R111 IonicContact OE2-NH2 2.8Å; E66-R111 PolarHBondContact OE2-NH2 2.88Å; T107-R111 VanDerWaalsContact O-CG 3.28Å; T107-R111 WeakPolarHBondContact O-CG 3.38Å; T107-R111 PolarHBondContact O-N 2.86Å; M108-R111 PolarHBondContact O-N 3.17Å; M108-R111 VanDerWaalsContact O-N 3.14Å; R111-P301 HydrophobicContact CB-CB 4.05Å; R111-P301 HydrophobicContact CB-CG 4.17Å; R111-P301 HydrophobicContact CG-CB 4.09Å; R111-P301 HydrophobicContact CG-CG 3.9Å; R111-P301 PolarHBondContact NH1-O 3.18Å; R111-P302 WeakPolarHBondContact CD-O 3.41Å; R111-P302 PolarHBondContact NH1-O 3.4Å; R111-R303 VanDerWaalsContact CZ-CA 3.48Å
112Y96.8Very high96.2Very high50 Ų5017 Ų1720%0.19610%0.098CC..THydrogen-bonded Turntrans-108.515.6-179.5-62.3-78.5000113.9I75 V82 F85 G86 M108 E110 V114 W170 P301I75-Y112 HydrophobicContact CD1-CE2 4.17Å; V82-Y112 HydrophobicContact CG1-CE1 4.39Å; F85-Y112 HydrophobicContact CB-CD1 3.42Å; F85-Y112 VanDerWaalsContact CB-CD1 3.42Å; F85-Y112 HydrophobicContact CB-CD2 4Å; F85-Y112 HydrophobicContact CB-CE1 3.71Å; F85-Y112 HydrophobicContact CB-CE2 4.27Å; F85-Y112 HydrophobicContact CB-CG 3.59Å; F85-Y112 HydrophobicContact CD2-CD1 4.4Å; F85-Y112 HydrophobicContact CD2-CD2 4.04Å; F85-Y112 AromaticContact CD2-CE1 3.96Å; F85-Y112 HydrophobicContact CD2-CE1 3.96Å; F85-Y112 AromaticContact CD2-CE2 3.59Å; F85-Y112 HydrophobicContact CD2-CE2 3.59Å; F85-Y112 HydrophobicContact CD2-CG 4.44Å; F85-Y112 AromaticContact CD2-CZ 3.53Å; F85-Y112 HydrophobicContact CE2-CE2 4.38Å; F85-Y112 HydrophobicContact CG-CD1 4.44Å; F85-Y112 HydrophobicContact CG-CD2 4.41Å; F85-Y112 HydrophobicContact CG-CE1 4.37Å; F85-Y112 HydrophobicContact CG-CE2 4.37Å; F85-Y112 HydrophobicContact CG-CG 4.47Å; G86-Y112 WeakPolarHBondContact CA-O 3.4Å; M108-Y112 HydrophobicContact CE-CD2 4.47Å; M108-Y112 HydrophobicContact CE-CE2 3.97Å; M108-Y112 WeakPolarHBondContact O-CD2 3.48Å; M108-Y112 PolarHBondContact O-N 3.04Å; E110-Y112 PolarHBondContact O-N 3.4Å; Y112-V114 PolarHBondContact O-N 2.95Å; Y112-W170 HydrophobicContact CD2-CH2 4.35Å; Y112-P301 HydrophobicContact CE2-CG 4.48Å
113G96.5Very high95.9Very high40 Ų4016.7 Ų16.741%0.41210%0.096SC..THydrogen-bonded Turntrans77.913.5166.400000116.6C109 E110C109-G113 PolarHBondContact O-N 3.29Å; C109-G113 VanDerWaalsContact O-N 3.08Å; E110-G113 PolarHBondContact O-N 2.93Å; E110-G113 VanDerWaalsContact O-N 3.17Å
114V97.7Very high95.6Very high7 Ų721 Ų214%0.04211%0.113CC..  trans-1135.2-174.9-630000114.1C109 Y112 G116 A117 S118 F168 W170C109-V114 HydrophobicContact CB-CG2 3.89Å; C109-V114 PolarHBondContact O-N 3.31Å; Y112-V114 PolarHBondContact O-N 2.95Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.03Å; V114-A117 CarbonylContact O-C 3.51Å; V114-A117 PolarHBondContact O-N 3.21Å; V114-S118 PolarHBondContact O-N 3.23Å; V114-F168 HydrophobicContact CG1-CB 4.1Å; V114-W170 HydrophobicContact CB-CG 4.46Å; V114-W170 HydrophobicContact CG2-CB 4.38Å; V114-W170 HydrophobicContact CG2-CD2 3.58Å; V114-W170 HydrophobicContact CG2-CE3 3.95Å; V114-W170 HydrophobicContact CG2-CG 3.75Å; V114-W170 HydrophobicContact CG2-CZ2 4.43Å
115L98.4Very high95.1Very high0 Ų024.7 Ų24.70%013%0.13CC..G310 helixtrans-50.4-47.7-176.7179.163.2000113.9Y55 W58 V62 W106 C109 E110 A117 S118Y55-L115 HydrophobicContact CD2-CB 4.06Å; Y55-L115 HydrophobicContact CD2-CD2 4.14Å; Y55-L115 HydrophobicContact CD2-CG 4.42Å; Y55-L115 HydrophobicContact CE2-CB 4.37Å; Y55-L115 HydrophobicContact CE2-CD2 4.21Å; W58-L115 HydrophobicContact CB-CD1 3.91Å; W58-L115 HydrophobicContact CB-CD2 3.92Å; W58-L115 HydrophobicContact CB-CG 3.87Å; V62-L115 HydrophobicContact CG2-CD1 4.23Å; V62-L115 HydrophobicContact CG2-CD2 3.96Å; W106-L115 HydrophobicContact CB-CD1 3.64Å; W106-L115 HydrophobicContact CD2-CD1 4.18Å; W106-L115 HydrophobicContact CG-CD1 3.63Å; C109-L115 HydrophobicContact CB-CB 4.11Å; C109-L115 HydrophobicContact CB-CD1 4.16Å; C109-L115 PolarHBondContact O-N 3.14Å; C109-L115 VanDerWaalsContact O-N 3.14Å; E110-L115 HydrophobicContact CB-CD2 4.29Å; E110-L115 VanDerWaalsContact OE2-CD2 3.29Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.28Å; L115-A117 PolarHBondContact O-N 2.91Å; L115-S118 WeakPolarHBondContact O-CB 3.49Å; L115-S118 PolarHBondContact O-N 2.93Å; L115-S118 PolarHBondContact O-OG 3.4Å
116G97.4Very high94.7Very high4 Ų426.9 Ų26.94%0.04114%0.137CC..G310 helixtrans-67.5-22.3-179.700000114.2T51 V114T51-G116 WeakPolarHBondContact O-CA 3.46Å; V114-G116 VanDerWaalsContact C-N 3.34Å; V114-G116 PolarHBondContact O-N 3.03Å
117A96.7Very high94.3Very high2 Ų227.6 Ų27.62%0.01714%0.142CC..G310 helixtrans-102.93.9-179.200000112.5T51 V114 L115 Y165 E167T51-A117 HydrophobicContact CG2-CB 4.06Å; V114-A117 CarbonylContact O-C 3.51Å; V114-A117 PolarHBondContact O-N 3.21Å; L115-A117 PolarHBondContact O-N 2.91Å; A117-Y165 HydrophobicContact CB-CE1 4.34Å; A117-E167 HydrophobicContact CB-CB 3.81Å
118S97.3Very high93.8Very high9 Ų934.5 Ų34.56%0.06317%0.172CC..  trans-63.1138174.166.10000110.7W106 V114 L115W106-S118 PolarHBondContact NE1-OG 3.07Å; V114-S118 PolarHBondContact O-N 3.23Å; L115-S118 WeakPolarHBondContact O-CB 3.49Å; L115-S118 PolarHBondContact O-N 2.93Å; L115-S118 PolarHBondContact O-OG 3.4Å
119K96.8Very high93.3Very high6 Ų637.1 Ų37.13%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-129.1164-179.3-54.6-62.4175.3-173.90110.5L139 I141 Y165 M169 W170 F171 L172K119-L139 PolarHBondContact NZ-O 2.84Å; K119-I141 HydrophobicContact CB-CG1 4.5Å; K119-I141 HydrophobicContact CD-CG1 3.86Å; K119-Y165 PolarHBondContact NZ-OH 3.35Å; K119-M169 HydrophobicContact CB-CG 4.29Å; K119-M169 HydrophobicContact CB-SD 4.29Å; K119-M169 HydrophobicContact CD-SD 4.48Å; K119-M169 HydrophobicContact CG-CG 3.51Å; K119-M169 HydrophobicContact CG-SD 3.46Å; K119-M169 WeakPolarHBondContact CG-SD 3.44Å; K119-W170 PolarHBondContact N-O 3.01Å; K119-F171 HydrophobicContact CB-CD2 3.52Å; K119-F171 HydrophobicContact CB-CE2 3.96Å; K119-F171 HydrophobicContact CB-CG 4.23Å; K119-F171 HydrophobicContact CG-CD2 4.23Å; K119-L172 WeakPolarHBondContact O-CB 3.4Å; K119-L172 PolarHBondContact O-N 2.81Å
120V95.3Very high92.7Very high25 Ų2540.1 Ų40.115%0.15221%0.208CC..EExtended strand (participates in β ladder)trans-151.5154.9176.364.90000109A122 W136 I141 L172V120-A122 HydrophobicContact CG1-CB 4.24Å; V120-A122 PolarHBondContact O-N 3.32Å; V120-W136 HydrophobicContact CG1-CH2 4.49Å; V120-I141 HydrophobicContact CG1-CD1 4.48Å; V120-I141 HydrophobicContact CG1-CG2 4.39Å; V120-I141 WeakPolarHBondContact O-CG2 3.14Å; V120-L172 WeakPolarHBondContact CA-O 3.44Å; V120-L172 HydrophobicContact CB-CB 4.32Å; V120-L172 HydrophobicContact CG2-CB 4.24Å; V120-L172 HydrophobicContact CG2-CD2 4.36Å; V120-L172 HydrophobicContact CG2-CG 4.37Å
121L91.7Very high92.3Very high44 Ų4440.9 Ų40.923%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-76.2105.3158.1-72.6-179000108.9V142 F171 L173L121-V142 HydrophobicContact CD2-CB 3.78Å; L121-V142 HydrophobicContact CD2-CG1 3.85Å; L121-F171 HydrophobicContact CD2-CE1 4.24Å; L121-F171 HydrophobicContact CD2-CZ 3.76Å; L121-F171 HydrophobicContact CG-CE1 3.83Å; L121-F171 HydrophobicContact CG-CZ 3.84Å; L121-L173 HydrophobicContact CB-CD2 4.21Å; L121-L173 HydrophobicContact CD1-CD2 3.47Å; L121-L173 VanDerWaalsContact CD1-CD2 3.47Å; L121-L173 HydrophobicContact CG-CD2 3.73Å
122A90.3Very high92.1Very high5 Ų541.8 Ų41.84%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-90.9152.9-175.300000112.1V120 W136 I141 V142 F143 C144V120-A122 HydrophobicContact CG1-CB 4.24Å; V120-A122 PolarHBondContact O-N 3.32Å; A122-W136 HydrophobicContact CB-CE3 3.78Å; A122-W136 HydrophobicContact CB-CZ3 3.71Å; A122-I141 HydrophobicContact CB-CG2 3.69Å; A122-V142 PolarHBondContact N-O 3.19Å; A122-F143 HydrophobicContact CB-CD1 3.67Å; A122-F143 HydrophobicContact CB-CE1 3.81Å; A122-F143 HydrophobicContact CB-CG 4.41Å; A122-F143 CarbonylContact O-C 3.54Å; A122-F143 WeakPolarHBondContact O-CA 3.47Å; A122-C144 PolarHBondContact O-N 3.5Å
123K88.7Confident91.8Very high65 Ų6539.4 Ų39.428%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-72.6134.9169.7-176.2-178.8-168.4-137.80109.9E125 L126 C144K123-E125 WeakPolarHBondContact CE-OE1 3.36Å; K123-E125 VanDerWaalsContact CE-OE2 3.25Å; K123-E125 WeakPolarHBondContact CE-OE2 3.4Å; K123-E125 HydrophobicContact CG-CB 4.48Å; K123-E125 WeakPolarHBondContact CG-OE2 3.02Å; K123-E125 VanDerWaalsContact NZ-CD 3.29Å; K123-E125 IonicContact NZ-OE1 3.62Å; K123-E125 PolarHBondContact NZ-OE1 2.71Å; K123-E125 IonicContact NZ-OE2 3.87Å; K123-E125 PolarHBondContact O-N 3.47Å; K123-E125 VanDerWaalsContact O-N 3.14Å; K123-L126 HydrophobicContact CB-CD1 4.03Å; K123-L126 HydrophobicContact CB-CG 4.17Å; K123-L126 VanDerWaalsContact O-CB 3.25Å; K123-L126 WeakPolarHBondContact O-CB 3.29Å; K123-L126 PolarHBondContact O-N 2.88Å; K123-C144 CarbonylContact C-O 3.6Å
124Y88.7Confident91.8Very high95 Ų9542.7 Ų42.737%0.37321%0.209SC..G310 helixtrans-54.1-36.9-177.3-178.4-99000113.7L126 L127 F143 C144 K145Y124-L126 PolarHBondContact O-N 2.81Å; Y124-L126 VanDerWaalsContact O-N 3.16Å; Y124-L127 HydrophobicContact CE2-CD2 3.99Å; Y124-L127 WeakPolarHBondContact O-CB 3.35Å; Y124-L127 PolarHBondContact O-N 3.22Å; Y124-F143 HydrophobicContact CD2-CB 4.2Å; Y124-C144 PolarHBondContact N-O 3.2Å; Y124-K145 HydrophobicContact CG-CG 4.19Å
125E87.3Confident91.8Very high76 Ų7642.3 Ų42.336%0.35521%0.207SC..G310 helixtrans-62.3-22.7177.3-64.494.2120.200113.2K123 L127 K128K123-E125 WeakPolarHBondContact CE-OE1 3.36Å; K123-E125 VanDerWaalsContact CE-OE2 3.25Å; K123-E125 WeakPolarHBondContact CE-OE2 3.4Å; K123-E125 HydrophobicContact CG-CB 4.48Å; K123-E125 WeakPolarHBondContact CG-OE2 3.02Å; K123-E125 VanDerWaalsContact NZ-CD 3.29Å; K123-E125 IonicContact NZ-OE1 3.62Å; K123-E125 PolarHBondContact NZ-OE1 2.71Å; K123-E125 IonicContact NZ-OE2 3.87Å; K123-E125 PolarHBondContact O-N 3.47Å; K123-E125 VanDerWaalsContact O-N 3.14Å; E125-L127 VanDerWaalsContact C-N 3.27Å; E125-L127 PolarHBondContact O-N 3.3Å; E125-K128 WeakPolarHBondContact O-CB 3.27Å; E125-K128 PolarHBondContact O-N 2.8Å
126L86.3Confident91.8Very high66 Ų6643.8 Ų43.835%0.34621%0.212SC..G310 helixtrans-70.6-23.1175.2-62.9172.3000112.4K123 Y124 K128 V129 G133 W136 F143K123-L126 HydrophobicContact CB-CD1 4.03Å; K123-L126 HydrophobicContact CB-CG 4.17Å; K123-L126 VanDerWaalsContact O-CB 3.25Å; K123-L126 WeakPolarHBondContact O-CB 3.29Å; K123-L126 PolarHBondContact O-N 2.88Å; Y124-L126 PolarHBondContact O-N 2.81Å; Y124-L126 VanDerWaalsContact O-N 3.16Å; L126-K128 PolarHBondContact O-N 2.79Å; L126-V129 HydrophobicContact CD2-CG2 4.22Å; L126-V129 WeakPolarHBondContact O-CB 3.12Å; L126-V129 PolarHBondContact O-N 2.83Å; L126-V129 VanDerWaalsContact O-N 3.07Å; L126-G133 WeakPolarHBondContact O-CA 3.42Å; L126-W136 HydrophobicContact CB-CE3 4.29Å; L126-W136 HydrophobicContact CB-CZ3 3.78Å; L126-W136 HydrophobicContact CD1-CH2 4.02Å; L126-W136 HydrophobicContact CD1-CZ3 3.57Å; L126-W136 HydrophobicContact CG-CZ3 4.24Å; L126-F143 HydrophobicContact CB-CE1 4.45Å
127L89.2Confident91.8Very high42 Ų4250.2 Ų50.222%0.2224%0.237CC..G310 helixtrans-58.5-30.1171.8-178.961.8000111.8Y124 E125 V129 Y137 F143Y124-L127 HydrophobicContact CE2-CD2 3.99Å; Y124-L127 WeakPolarHBondContact O-CB 3.35Å; Y124-L127 PolarHBondContact O-N 3.22Å; E125-L127 VanDerWaalsContact C-N 3.27Å; E125-L127 PolarHBondContact O-N 3.3Å; L127-V129 VanDerWaalsContact C-N 3.31Å; L127-Y137 HydrophobicContact CD1-CD2 4.08Å; L127-Y137 HydrophobicContact CD1-CG 4.33Å; L127-F143 HydrophobicContact CB-CD1 3.91Å; L127-F143 HydrophobicContact CB-CE1 3.76Å; L127-F143 HydrophobicContact CB-CG 4.34Å; L127-F143 HydrophobicContact CB-CZ 4.07Å; L127-F143 HydrophobicContact CD1-CD2 4.37Å; L127-F143 HydrophobicContact CD1-CE1 4.38Å; L127-F143 HydrophobicContact CD1-CE2 3.82Å; L127-F143 HydrophobicContact CD1-CZ 3.8Å
128K87Confident91.8Very high146 Ų14651 Ų5164%0.63524%0.239SC*.G310 helixtrans-81.6-9.1-179-55.9-179.7-178.6-179.30113.3E125 L126 P130E125-K128 WeakPolarHBondContact O-CB 3.27Å; E125-K128 PolarHBondContact O-N 2.8Å; L126-K128 PolarHBondContact O-N 2.79Å; K128-P130 VanDerWaalsContact O-CD 3.29Å; K128-P130 WeakPolarHBondContact O-CD 3.44Å
129V84.3Confident91.8Very high60 Ų6050.5 Ų50.536%0.36424%0.236SC..SBendtrans-79.5114.4177.6-1800000107.7L126 L127 I132 G133L126-V129 HydrophobicContact CD2-CG2 4.22Å; L126-V129 WeakPolarHBondContact O-CB 3.12Å; L126-V129 PolarHBondContact O-N 2.83Å; L126-V129 VanDerWaalsContact O-N 3.07Å; L127-V129 VanDerWaalsContact C-N 3.31Å; V129-I132 HydrophobicContact CG1-CB 4.41Å; V129-G133 WeakPolarHBondContact O-CA 3.19Å; V129-G133 PolarHBondContact O-N 3.05Å
130P85.4Confident91.8Very high70 Ų7051.2 Ų51.246%0.45524%0.24SC..THydrogen-bonded Turntrans-56.2156.3177.5-23.134.5000111K128 I132 W134K128-P130 VanDerWaalsContact O-CD 3.29Å; K128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-I132 PolarHBondContact O-N 3.32Å; P130-W134 HydrophobicContact CB-CH2 3.97Å; P130-W134 HydrophobicContact CB-CZ2 3.92Å; P130-W134 HydrophobicContact CB-CZ3 4.32Å; P130-W134 HydrophobicContact CG-CZ2 4.21Å
131L90.6Very high91.8Very high15 Ų1550.6 Ų50.68%0.07924%0.235CC..THydrogen-bonded Turntrans70.6-67.9-175.6-38.8-179.6000112.5F21 V22 L26 N29 T135F21-L131 HydrophobicContact CE1-CD1 4.34Å; V22-L131 HydrophobicContact CB-CD1 4.18Å; V22-L131 HydrophobicContact CG1-CD1 4.22Å; V22-L131 HydrophobicContact CG2-CD1 4.03Å; L26-L131 HydrophobicContact CB-CD2 4.38Å; L26-L131 HydrophobicContact CD2-CD2 3.5Å; L26-L131 VanDerWaalsContact CD2-CD2 3.5Å; L26-L131 HydrophobicContact CG-CD2 3.63Å; N29-L131 WeakPolarHBondContact OD1-CA 3.36Å; N29-L131 PolarHBondContact OD1-O 2.93Å; L131-T135 VanDerWaalsContact O-CB 3.27Å; L131-T135 WeakPolarHBondContact O-CB 3.16Å; L131-T135 PolarHBondContact O-N 2.79Å; L131-T135 PolarHBondContact O-OG1 2.96Å
132I91Very high92Very high50 Ų5048.8 Ų48.826%0.25623%0.226SC..Hα-helixtrans-73.1-53.8-170.6-58179.8000110.5W58 V129 P130 W134 T135 W136W58-I132 HydrophobicContact CH2-CB 4.34Å; W58-I132 HydrophobicContact CH2-CG1 4.45Å; W58-I132 HydrophobicContact CH2-CG2 3.94Å; W58-I132 HydrophobicContact CZ3-CG1 4.24Å; W58-I132 HydrophobicContact CZ3-CG2 4.31Å; V129-I132 HydrophobicContact CG1-CB 4.41Å; P130-I132 PolarHBondContact O-N 3.32Å; I132-W134 VanDerWaalsContact C-N 3.32Å; I132-W134 PolarHBondContact O-N 3.25Å; I132-T135 PolarHBondContact O-N 3.35Å; I132-W136 HydrophobicContact CG2-CD2 4.06Å; I132-W136 HydrophobicContact CG2-CE3 4.43Å; I132-W136 HydrophobicContact CG2-CH2 4.13Å; I132-W136 HydrophobicContact CG2-CZ2 3.73Å; I132-W136 HydrophobicContact CG2-CZ3 4.47Å; I132-W136 WeakPolarHBondContact O-CB 3.33Å; I132-W136 VanDerWaalsContact O-CG 3.28Å; I132-W136 PolarHBondContact O-N 3.49Å
133G92.3Very high92.1Very high0 Ų049.4 Ų49.40%023%0.228CC..Hα-helixtrans-62.4-38.4-179.600000112.9L126 V129 W136 Y137L126-G133 WeakPolarHBondContact O-CA 3.42Å; V129-G133 WeakPolarHBondContact O-CA 3.19Å; V129-G133 PolarHBondContact O-N 3.05Å; G133-W136 PolarHBondContact O-N 3.01Å; G133-Y137 PolarHBondContact O-N 3.13Å
134W96.2Very high92.2Very high109 Ų10947.2 Ų47.241%0.41322%0.22SC..Hα-helixtrans-70.3-44.4178.4-57.1-11.5000111.7L26 N29 P130 I132 W136 Y137 F138L26-W134 HydrophobicContact CD2-CZ3 4.31Å; N29-W134 HydrophobicContact CB-CE3 4.25Å; P130-W134 HydrophobicContact CB-CH2 3.97Å; P130-W134 HydrophobicContact CB-CZ2 3.92Å; P130-W134 HydrophobicContact CB-CZ3 4.32Å; P130-W134 HydrophobicContact CG-CZ2 4.21Å; I132-W134 VanDerWaalsContact C-N 3.32Å; I132-W134 PolarHBondContact O-N 3.25Å; W134-W136 VanDerWaalsContact C-N 3.25Å; W134-W136 PolarHBondContact O-N 3.37Å; W134-Y137 WeakPolarHBondContact O-CB 3.25Å; W134-Y137 PolarHBondContact O-N 2.85Å; W134-Y137 VanDerWaalsContact O-N 3.13Å; W134-F138 HydrophobicContact CB-CE2 4.39Å; W134-F138 WeakPolarHBondContact O-CD2 3.25Å; W134-F138 PolarHBondContact O-N 3.13Å
135T97.7Very high92.1Very high0 Ų047.3 Ų47.30%022%0.223CC..Hα-helixtrans-57.9-42.9172.9-54.40000110.7N29 S54 L57 W58 L131 I132 Y137 F138 L139N29-T135 PolarHBondContact ND2-OG1 3.16Å; S54-T135 WeakPolarHBondContact OG-CG2 3.46Å; L57-T135 HydrophobicContact CD2-CG2 4.27Å; L57-T135 VanDerWaalsContact CD2-OG1 3.25Å; L57-T135 WeakPolarHBondContact CD2-OG1 3.48Å; W58-T135 HydrophobicContact CH2-CG2 4.09Å; W58-T135 HydrophobicContact CZ2-CG2 3.47Å; W58-T135 VanDerWaalsContact CZ2-CG2 3.47Å; L131-T135 VanDerWaalsContact O-CB 3.27Å; L131-T135 WeakPolarHBondContact O-CB 3.16Å; L131-T135 PolarHBondContact O-N 2.79Å; L131-T135 PolarHBondContact O-OG1 2.96Å; I132-T135 PolarHBondContact O-N 3.35Å; T135-Y137 PolarHBondContact O-N 3.41Å; T135-F138 PolarHBondContact O-N 3.47Å; T135-L139 HydrophobicContact CG2-CD1 4.35Å; T135-L139 WeakPolarHBondContact O-CB 2.93Å; T135-L139 WeakPolarHBondContact O-CG 3.33Å; T135-L139 PolarHBondContact O-N 3.08Å
136W97.3Very high91.8Very high30 Ų3049 Ų4911%0.11423%0.226CC..Hα-helixtrans-63.6-38.3176.4-73.6-2000113.2W58 V120 A122 L126 I132 G133 W134 L139 E140 I141 F143W58-W136 AromaticContact CH2-CD1 3.88Å; W58-W136 AromaticContact CH2-NE1 3.58Å; W58-W136 AromaticContact CZ2-CD1 3.42Å; W58-W136 VanDerWaalsContact CZ2-CD1 3.42Å; W58-W136 AromaticContact CZ2-NE1 3.33Å; W58-W136 VanDerWaalsContact CZ2-NE1 3.33Å; V120-W136 HydrophobicContact CG1-CH2 4.49Å; A122-W136 HydrophobicContact CB-CE3 3.78Å; A122-W136 HydrophobicContact CB-CZ3 3.71Å; L126-W136 HydrophobicContact CB-CE3 4.29Å; L126-W136 HydrophobicContact CB-CZ3 3.78Å; L126-W136 HydrophobicContact CD1-CH2 4.02Å; L126-W136 HydrophobicContact CD1-CZ3 3.57Å; L126-W136 HydrophobicContact CG-CZ3 4.24Å; I132-W136 HydrophobicContact CG2-CD2 4.06Å; I132-W136 HydrophobicContact CG2-CE3 4.43Å; I132-W136 HydrophobicContact CG2-CH2 4.13Å; I132-W136 HydrophobicContact CG2-CZ2 3.73Å; I132-W136 HydrophobicContact CG2-CZ3 4.47Å; I132-W136 WeakPolarHBondContact O-CB 3.33Å; I132-W136 VanDerWaalsContact O-CG 3.28Å; I132-W136 PolarHBondContact O-N 3.49Å; G133-W136 PolarHBondContact O-N 3.01Å; W134-W136 VanDerWaalsContact C-N 3.25Å; W134-W136 PolarHBondContact O-N 3.37Å; W136-L139 CarbonylContact O-C 3.53Å; W136-L139 PolarHBondContact O-N 3.31Å; W136-E140 PolarHBondContact O-N 3.41Å; W136-I141 HydrophobicContact CB-CB 3.97Å; W136-I141 HydrophobicContact CB-CD1 3.74Å; W136-I141 HydrophobicContact CB-CG1 4.38Å; W136-I141 HydrophobicContact CB-CG2 4.2Å; W136-I141 HydrophobicContact CD2-CD1 4.01Å; W136-I141 HydrophobicContact CG-CB 4.47Å; W136-I141 HydrophobicContact CG-CD1 3.42Å; W136-I141 VanDerWaalsContact CG-CD1 3.42Å; W136-I141 HydrophobicContact CG-CG1 4.5Å; W136-I141 HydrophobicContact CG-CG2 4.48Å; W136-I141 WeakPolarHBondContact O-CB 3.42Å; W136-I141 PolarHBondContact O-N 3.4Å; W136-F143 HydrophobicContact CB-CE1 4.47Å; W136-F143 HydrophobicContact CB-CE2 4.33Å; W136-F143 HydrophobicContact CB-CZ 3.62Å; W136-F143 AromaticContact CE3-CE1 3.97Å; W136-F143 HydrophobicContact CE3-CE1 3.97Å; W136-F143 HydrophobicContact CE3-CZ 4.24Å
137Y96.8Very high91.8Very high140 Ų14051 Ų5155%0.54923%0.232SC..Hα-helixtrans-58.7-48.9172.1177-93.8000111.8L127 G133 W134 T135 L139 E140L127-Y137 HydrophobicContact CD1-CD2 4.08Å; L127-Y137 HydrophobicContact CD1-CG 4.33Å; G133-Y137 PolarHBondContact O-N 3.13Å; W134-Y137 WeakPolarHBondContact O-CB 3.25Å; W134-Y137 PolarHBondContact O-N 2.85Å; W134-Y137 VanDerWaalsContact O-N 3.13Å; T135-Y137 PolarHBondContact O-N 3.41Å; Y137-L139 PolarHBondContact O-N 2.95Å; Y137-E140 PolarHBondContact O-N 2.97Å
138F97.4Very high91.6Very high17 Ų1752.7 Ų52.78%0.07524%0.235CC..Hα-helixtrans-68.7-17.6177.7-61.1-57.9000113.9Q32 L33 Y46 N50 W134 T135 E140Q32-F138 HydrophobicContact CB-CB 4.19Å; Q32-F138 HydrophobicContact CB-CD1 4.31Å; Q32-F138 HydrophobicContact CB-CD2 3.34Å; Q32-F138 HydrophobicContact CB-CE2 3.66Å; Q32-F138 HydrophobicContact CB-CG 3.71Å; Q32-F138 HydrophobicContact CB-CZ 4.26Å; Q32-F138 HydrophobicContact CG-CD2 4.14Å; L33-F138 HydrophobicContact CB-CZ 3.96Å; L33-F138 HydrophobicContact CD1-CE1 4.48Å; L33-F138 HydrophobicContact CD1-CZ 4.26Å; Y46-F138 WeakPolarHBondContact CE1-O 3.36Å; Y46-F138 WeakPolarHBondContact OH-CA 3.24Å; Y46-F138 PolarHBondContact OH-O 3.46Å; N50-F138 WeakPolarHBondContact OD1-CB 3.31Å; W134-F138 HydrophobicContact CB-CE2 4.39Å; W134-F138 WeakPolarHBondContact O-CD2 3.25Å; W134-F138 PolarHBondContact O-N 3.13Å; T135-F138 PolarHBondContact O-N 3.47Å; F138-E140 VanDerWaalsContact C-N 3.31Å
139L97.1Very high91.6Very high0 Ų053.3 Ų53.30%024%0.24CC..THydrogen-bonded Turntrans-87.33.4170.4-76.4-179.1000113.1N50 S54 K119 T135 W136 Y137 I141N50-L139 HydrophobicContact CB-CD2 4.44Å; S54-L139 WeakPolarHBondContact OG-CD1 3.37Å; S54-L139 VanDerWaalsContact OG-CD2 3.3Å; S54-L139 WeakPolarHBondContact OG-CD2 3.42Å; S54-L139 VanDerWaalsContact OG-CG 3.25Å; S54-L139 WeakPolarHBondContact OG-CG 3.37Å; K119-L139 PolarHBondContact NZ-O 2.84Å; T135-L139 HydrophobicContact CG2-CD1 4.35Å; T135-L139 WeakPolarHBondContact O-CB 2.93Å; T135-L139 WeakPolarHBondContact O-CG 3.33Å; T135-L139 PolarHBondContact O-N 3.08Å; W136-L139 CarbonylContact O-C 3.53Å; W136-L139 PolarHBondContact O-N 3.31Å; Y137-L139 PolarHBondContact O-N 2.95Å; L139-I141 HydrophobicContact CB-CD1 4.41Å; L139-I141 HydrophobicContact CB-CG1 4.37Å; L139-I141 HydrophobicContact CD1-CD1 4.44Å; L139-I141 PolarHBondContact O-N 2.91Å
140E96.6Very high91.8Very high21 Ų2154.6 Ų54.610%0.09824%0.243CC..THydrogen-bonded Turntrans56.833.2-176.3-54.4165.371.800112.6W39 R47 W136 Y137 F138 L162W39-E140 HydrophobicContact CH2-CG 4.05Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.28Å; W39-E140 HydrophobicContact CZ3-CG 4.19Å; W39-E140 WeakPolarHBondContact CZ3-OE2 3.41Å; R47-E140 VanDerWaalsContact CG-OE2 3.27Å; R47-E140 WeakPolarHBondContact CG-OE2 3.48Å; R47-E140 IonicContact CZ-OE1 2.71Å; R47-E140 IonicContact CZ-OE2 2.7Å; R47-E140 IonicContact NE-OE1 3.65Å; R47-E140 IonicContact NE-OE2 2.71Å; R47-E140 PolarHBondContact NE-OE2 2.92Å; R47-E140 IonicContact NH2-OE1 3.55Å; R47-E140 PolarHBondContact NH2-OE1 2.82Å; R47-E140 IonicContact NH2-OE2 3.21Å; W136-E140 PolarHBondContact O-N 3.41Å; Y137-E140 PolarHBondContact O-N 2.97Å; F138-E140 VanDerWaalsContact C-N 3.31Å; E140-L162 HydrophobicContact CB-CD2 4.23Å
141I96.4Very high92Very high12 Ų1251.8 Ų51.86%0.06222%0.223CC..  trans-66138.1171.5-81.2169.5000109.4K119 V120 A122 W136 L139 F143K119-I141 HydrophobicContact CB-CG1 4.5Å; K119-I141 HydrophobicContact CD-CG1 3.86Å; V120-I141 HydrophobicContact CG1-CD1 4.48Å; V120-I141 HydrophobicContact CG1-CG2 4.39Å; V120-I141 WeakPolarHBondContact O-CG2 3.14Å; A122-I141 HydrophobicContact CB-CG2 3.69Å; W136-I141 HydrophobicContact CB-CB 3.97Å; W136-I141 HydrophobicContact CB-CD1 3.74Å; W136-I141 HydrophobicContact CB-CG1 4.38Å; W136-I141 HydrophobicContact CB-CG2 4.2Å; W136-I141 HydrophobicContact CD2-CD1 4.01Å; W136-I141 HydrophobicContact CG-CB 4.47Å; W136-I141 HydrophobicContact CG-CD1 3.42Å; W136-I141 VanDerWaalsContact CG-CD1 3.42Å; W136-I141 HydrophobicContact CG-CG1 4.5Å; W136-I141 HydrophobicContact CG-CG2 4.48Å; W136-I141 WeakPolarHBondContact O-CB 3.42Å; W136-I141 PolarHBondContact O-N 3.4Å; L139-I141 HydrophobicContact CB-CD1 4.41Å; L139-I141 HydrophobicContact CB-CG1 4.37Å; L139-I141 HydrophobicContact CD1-CD1 4.44Å; L139-I141 PolarHBondContact O-N 2.91Å; I141-F143 HydrophobicContact CB-CE2 4.47Å; I141-F143 HydrophobicContact CG2-CE2 4.24Å; I141-F143 HydrophobicContact CG2-CZ 4.29Å; I141-F143 WeakPolarHBondContact O-CD2 3.05Å; I141-F143 WeakPolarHBondContact O-CE2 3.46Å
142V94.8Very high92Very high5 Ų557.5 Ų57.53%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-83.2125.3-179.3-177.60000109.5L121 A122 V155 L159L121-V142 HydrophobicContact CD2-CB 3.78Å; L121-V142 HydrophobicContact CD2-CG1 3.85Å; A122-V142 PolarHBondContact N-O 3.19Å; V142-V155 HydrophobicContact CG1-CB 4.36Å; V142-V155 HydrophobicContact CG1-CG2 3.98Å; V142-L159 HydrophobicContact CG2-CD2 4.47Å; V142-L159 HydrophobicContact CG2-CG 4.48Å
143F93.1Very high92.1Very high19 Ų1961.3 Ų61.38%0.08327%0.265CS..EExtended strand (participates in β ladder)trans-107.1131.1-179.3-69.5-86.7000111.4A122 Y124 L126 L127 W136 I141A122-F143 HydrophobicContact CB-CD1 3.67Å; A122-F143 HydrophobicContact CB-CE1 3.81Å; A122-F143 HydrophobicContact CB-CG 4.41Å; A122-F143 CarbonylContact O-C 3.54Å; A122-F143 WeakPolarHBondContact O-CA 3.47Å; Y124-F143 HydrophobicContact CD2-CB 4.2Å; L126-F143 HydrophobicContact CB-CE1 4.45Å; L127-F143 HydrophobicContact CB-CD1 3.91Å; L127-F143 HydrophobicContact CB-CE1 3.76Å; L127-F143 HydrophobicContact CB-CG 4.34Å; L127-F143 HydrophobicContact CB-CZ 4.07Å; L127-F143 HydrophobicContact CD1-CD2 4.37Å; L127-F143 HydrophobicContact CD1-CE1 4.38Å; L127-F143 HydrophobicContact CD1-CE2 3.82Å; L127-F143 HydrophobicContact CD1-CZ 3.8Å; W136-F143 HydrophobicContact CB-CE1 4.47Å; W136-F143 HydrophobicContact CB-CE2 4.33Å; W136-F143 HydrophobicContact CB-CZ 3.62Å; W136-F143 AromaticContact CE3-CE1 3.97Å; W136-F143 HydrophobicContact CE3-CE1 3.97Å; W136-F143 HydrophobicContact CE3-CZ 4.24Å; I141-F143 HydrophobicContact CB-CE2 4.47Å; I141-F143 HydrophobicContact CG2-CE2 4.24Å; I141-F143 HydrophobicContact CG2-CZ 4.29Å; I141-F143 WeakPolarHBondContact O-CD2 3.05Å; I141-F143 WeakPolarHBondContact O-CE2 3.46Å
144C89.9Confident92Very high18 Ų1865.1 Ų65.112%0.12229%0.288CS..EExtended strand (participates in β ladder)trans-121.6136.5-176.5-52.30000111.7A122 K123 Y124 R146 V155A122-C144 PolarHBondContact O-N 3.5Å; K123-C144 CarbonylContact C-O 3.6Å; Y124-C144 PolarHBondContact N-O 3.2Å; C144-R146 PolarHBondContact O-N 3.22Å; C144-V155 VanDerWaalsContact SG-CG2 3.54Å
145K86.9Confident91.9Very high97 Ų9760.3 Ų60.342%0.42227%0.271SS..  trans-76.5-9.7171.1-61.4-178.8-171.2177.30113.1Y124 E150 D151Y124-K145 HydrophobicContact CG-CG 4.19Å; K145-E150 HydrophobicContact CD-CB 4.39Å; K145-E150 WeakPolarHBondContact CD-OE2 3.34Å; K145-E150 IonicContact NZ-OE2 2.66Å; K145-E150 PolarHBondContact NZ-OE2 3.02Å; K145-D151 WeakPolarHBondContact CB-OD1 3.4Å; K145-D151 VanDerWaalsContact N-CG 3.26Å; K145-D151 PolarHBondContact N-OD1 2.7Å; K145-D151 PolarHBondContact N-OD2 2.87Å
146R81.9Confident91.7Very high112 Ų11263.9 Ų63.942%0.42329%0.287SS..SBendtrans72.133.4-176.6-49.8178.7-66.1163.54.4113.1C144 D151 S366C144-R146 PolarHBondContact O-N 3.22Å; R146-D151 WeakPolarHBondContact CA-OD2 3.43Å; R146-D151 PolarHBondContact N-OD2 3.25Å; R146-S366 PolarHBondContact NH1-OG 3.45Å
147K86.1Confident91.6Very high108 Ų10869.4 Ų69.447%0.4731%0.311SS..  trans-132.6111.6171.2-70.5177.9176.3-172.40107.7E149 E150 D151K147-E149 PolarHBondContact O-N 3.14Å; K147-E150 HydrophobicContact CB-CB 4.28Å; K147-E150 HydrophobicContact CB-CG 4.25Å; K147-E150 HydrophobicContact CD-CG 4.37Å; K147-E150 WeakPolarHBondContact CD-OE1 3.32Å; K147-E150 IonicContact NZ-OE1 3.89Å; K147-E150 PolarHBondContact NZ-OE1 2.9Å; K147-E150 PolarHBondContact O-N 3.12Å; K147-E150 VanDerWaalsContact O-N 3.08Å; K147-D151 PolarHBondContact N-OD2 3.01Å; K147-D151 VanDerWaalsContact N-OD2 3.07Å; K147-D151 WeakPolarHBondContact O-CB 3.41Å; K147-D151 PolarHBondContact O-N 3.34Å
148W85.1Confident91.5Very high77 Ų7763.2 Ų63.229%0.29229%0.29SS..Hα-helixtrans-58.6-40.1-168.2175.5-111.2000112.2E150 D151 R152 F156 K209 T213W148-E150 VanDerWaalsContact C-N 3.28Å; W148-E150 PolarHBondContact O-N 3.16Å; W148-D151 PolarHBondContact O-N 2.87Å; W148-R152 HydrophobicContact CH2-CG 4.26Å; W148-R152 HydrophobicContact CZ2-CB 4.23Å; W148-R152 HydrophobicContact CZ2-CG 3.79Å; W148-R152 WeakPolarHBondContact O-CB 3.38Å; W148-R152 PolarHBondContact O-N 2.88Å; W148-F156 HydrophobicContact CH2-CD2 4.49Å; W148-F156 AromaticContact CH2-CE2 3.76Å; W148-F156 HydrophobicContact CH2-CE2 3.76Å; W148-F156 HydrophobicContact CZ2-CE2 4Å; W148-K209 HydrophobicContact CD2-CG 3.96Å; W148-K209 VanDerWaalsContact CE2-CE 3.42Å; W148-K209 HydrophobicContact CE3-CG 3.84Å; W148-K209 HydrophobicContact CH2-CD 4.44Å; W148-K209 HydrophobicContact CH2-CG 4.07Å; W148-K209 HydrophobicContact CZ2-CD 4.25Å; W148-K209 HydrophobicContact CZ2-CG 4.2Å; W148-K209 HydrophobicContact CZ3-CG 3.89Å; W148-T213 HydrophobicContact CH2-CG2 3.98Å; W148-T213 WeakPolarHBondContact CH2-OG1 3.35Å; W148-T213 HydrophobicContact CZ3-CG2 4.45Å
149E87.7Confident91.5Very high159 Ų15962.4 Ų62.474%0.74329%0.287SS*.Hα-helixtrans-62.8-34.8-179.6-59.772.9-158.500112.1K147K147-E149 PolarHBondContact O-N 3.14Å
150E87.9Confident91.4Very high88 Ų8864.7 Ų64.741%0.41131%0.306SS..Hα-helixtrans-84.9-31177.3-62.7-172.8-141.400112.4K145 K147 W148K145-E150 HydrophobicContact CD-CB 4.39Å; K145-E150 WeakPolarHBondContact CD-OE2 3.34Å; K145-E150 IonicContact NZ-OE2 2.66Å; K145-E150 PolarHBondContact NZ-OE2 3.02Å; K147-E150 HydrophobicContact CB-CB 4.28Å; K147-E150 HydrophobicContact CB-CG 4.25Å; K147-E150 HydrophobicContact CD-CG 4.37Å; K147-E150 WeakPolarHBondContact CD-OE1 3.32Å; K147-E150 IonicContact NZ-OE1 3.89Å; K147-E150 PolarHBondContact NZ-OE1 2.9Å; K147-E150 PolarHBondContact O-N 3.12Å; K147-E150 VanDerWaalsContact O-N 3.08Å; W148-E150 VanDerWaalsContact C-N 3.28Å; W148-E150 PolarHBondContact O-N 3.16Å
151D89.8Confident91.3Very high10 Ų1066.9 Ų66.95%0.05332%0.316CS..Hα-helixtrans-91.5-23.2-170.8-71-34.4000113.3K145 R146 K147 W148 D153 T154 V155K145-D151 WeakPolarHBondContact CB-OD1 3.4Å; K145-D151 VanDerWaalsContact N-CG 3.26Å; K145-D151 PolarHBondContact N-OD1 2.7Å; K145-D151 PolarHBondContact N-OD2 2.87Å; R146-D151 WeakPolarHBondContact CA-OD2 3.43Å; R146-D151 PolarHBondContact N-OD2 3.25Å; K147-D151 PolarHBondContact N-OD2 3.01Å; K147-D151 VanDerWaalsContact N-OD2 3.07Å; K147-D151 WeakPolarHBondContact O-CB 3.41Å; K147-D151 PolarHBondContact O-N 3.34Å; W148-D151 PolarHBondContact O-N 2.87Å; D151-D153 PolarHBondContact O-N 3.3Å; D151-T154 PolarHBondContact O-N 2.99Å; D151-T154 VanDerWaalsContact O-N 3.12Å; D151-V155 HydrophobicContact CB-CG2 4.13Å; D151-V155 WeakPolarHBondContact O-CG2 3.29Å; D151-V155 PolarHBondContact O-N 3.06Å
152R90.3Very high91.2Very high136 Ų13666.3 Ų66.351%0.51331%0.313SS..Hα-helixtrans-45.8-61.9-169.2-178.8179.6178.3-171.8-1.9112.3W148 T154 V155 F156W148-R152 HydrophobicContact CH2-CG 4.26Å; W148-R152 HydrophobicContact CZ2-CB 4.23Å; W148-R152 HydrophobicContact CZ2-CG 3.79Å; W148-R152 WeakPolarHBondContact O-CB 3.38Å; W148-R152 PolarHBondContact O-N 2.88Å; R152-T154 VanDerWaalsContact C-N 3.31Å; R152-T154 PolarHBondContact O-N 2.89Å; R152-V155 PolarHBondContact O-N 3.39Å; R152-F156 HydrophobicContact CG-CD2 3.73Å; R152-F156 HydrophobicContact CG-CE2 3.8Å; R152-F156 VanDerWaalsContact O-CD2 3.26Å; R152-F156 WeakPolarHBondContact O-CD2 3.39Å; R152-F156 PolarHBondContact O-N 3.42Å
153D92.1Very high91.3Very high130 Ų13071 Ų7170%0.69533%0.333SS*.Hα-helixtrans-65.5-36.4-173.5-63-22000112.3D151 K157D151-D153 PolarHBondContact O-N 3.3Å; D153-K157 WeakPolarHBondContact O-CB 3.11Å; D153-K157 PolarHBondContact O-N 2.71Å
154T91.8Very high91.4Very high79 Ų7973 Ų7349%0.48535%0.345SS..Hα-helixtrans-64.4-43.3176.1-59.60000111D151 R152 G158D151-T154 PolarHBondContact O-N 2.99Å; D151-T154 VanDerWaalsContact O-N 3.12Å; R152-T154 VanDerWaalsContact C-N 3.31Å; R152-T154 PolarHBondContact O-N 2.89Å; T154-G158 PolarHBondContact O-N 3.17Å
155V93.1Very high91.7Very high8 Ų872.5 Ų72.55%0.04834%0.34CS..Hα-helixtrans-66-49.5178.5170.50000110.9V142 C144 D151 R152 K157 G158 L159 T213V142-V155 HydrophobicContact CG1-CB 4.36Å; V142-V155 HydrophobicContact CG1-CG2 3.98Å; C144-V155 VanDerWaalsContact SG-CG2 3.54Å; D151-V155 HydrophobicContact CB-CG2 4.13Å; D151-V155 WeakPolarHBondContact O-CG2 3.29Å; D151-V155 PolarHBondContact O-N 3.06Å; R152-V155 PolarHBondContact O-N 3.39Å; V155-K157 PolarHBondContact O-N 2.88Å; V155-G158 PolarHBondContact O-N 3.04Å; V155-L159 HydrophobicContact CG1-CD1 3.6Å; V155-L159 HydrophobicContact CG1-CG 4.31Å; V155-L159 WeakPolarHBondContact O-CB 3.5Å; V155-L159 VanDerWaalsContact O-CG 3.25Å; V155-L159 WeakPolarHBondContact O-CG 3.38Å; V155-L159 PolarHBondContact O-N 3.38Å; V155-T213 HydrophobicContact CG1-CG2 3.98Å
156F94.8Very high92.1Very high76 Ų7669.9 Ų69.933%0.33333%0.333SS..Hα-helixtrans-60.1-47178.2-87.1-81.9000111.6W148 R152 A160 T213 C217W148-F156 HydrophobicContact CH2-CD2 4.49Å; W148-F156 AromaticContact CH2-CE2 3.76Å; W148-F156 HydrophobicContact CH2-CE2 3.76Å; W148-F156 HydrophobicContact CZ2-CE2 4Å; R152-F156 HydrophobicContact CG-CD2 3.73Å; R152-F156 HydrophobicContact CG-CE2 3.8Å; R152-F156 VanDerWaalsContact O-CD2 3.26Å; R152-F156 WeakPolarHBondContact O-CD2 3.39Å; R152-F156 PolarHBondContact O-N 3.42Å; F156-A160 VanDerWaalsContact O-CB 3.23Å; F156-A160 WeakPolarHBondContact O-CB 3.43Å; F156-A160 PolarHBondContact O-N 3.21Å; F156-T213 HydrophobicContact CD2-CG2 4.35Å; F156-T213 HydrophobicContact CE1-CG2 4.12Å; F156-T213 HydrophobicContact CE2-CG2 3.89Å; F156-T213 HydrophobicContact CZ-CG2 3.76Å; F156-C217 WeakPolarHBondContact CD1-SG 2.96Å; F156-C217 VanDerWaalsContact CE1-SG 3.55Å
157K94.6Very high92.7Very high145 Ų14566.4 Ų66.463%0.6332%0.322SS*.Hα-helixtrans-63-46.7178.3-176.5177.6178.6179.40111.8D153 V155 A160 Q161D153-K157 WeakPolarHBondContact O-CB 3.11Å; D153-K157 PolarHBondContact O-N 2.71Å; V155-K157 PolarHBondContact O-N 2.88Å; K157-A160 PolarHBondContact O-N 3.09Å; K157-Q161 WeakPolarHBondContact O-CG 3.48Å; K157-Q161 PolarHBondContact O-N 3.12Å; K157-Q161 VanDerWaalsContact O-N 3.08Å
158G95.2Very high93.3Very high10 Ų1065.6 Ų65.610%0.10332%0.318CS..Hα-helixtrans-63.6-45.5-179.400000112.4T154 V155 Q161T154-G158 PolarHBondContact O-N 3.17Å; V155-G158 PolarHBondContact O-N 3.04Å; G158-Q161 WeakPolarHBondContact O-CB 3.32Å; G158-Q161 PolarHBondContact O-N 3.19Å
159L96.1Very high93.8Very high0 Ų061.9 Ų61.90%030%0.304CS..Hα-helixtrans-65.3-40.4176.4-68.9169.8000112.1V142 V155 Q161 L162 F171 T213 T214 C217 L218V142-L159 HydrophobicContact CG2-CD2 4.47Å; V142-L159 HydrophobicContact CG2-CG 4.48Å; V155-L159 HydrophobicContact CG1-CD1 3.6Å; V155-L159 HydrophobicContact CG1-CG 4.31Å; V155-L159 WeakPolarHBondContact O-CB 3.5Å; V155-L159 VanDerWaalsContact O-CG 3.25Å; V155-L159 WeakPolarHBondContact O-CG 3.38Å; V155-L159 PolarHBondContact O-N 3.38Å; L159-Q161 PolarHBondContact O-N 2.87Å; L159-L162 PolarHBondContact O-N 3.32Å; L159-F171 HydrophobicContact CD2-CE1 4.32Å; L159-F171 HydrophobicContact CD2-CE2 3.75Å; L159-F171 HydrophobicContact CD2-CZ 3.54Å; L159-T213 HydrophobicContact CD1-CG2 4.19Å; L159-T214 HydrophobicContact CD2-CG2 4.1Å; L159-C217 HydrophobicContact CB-CB 3.61Å; L159-C217 HydrophobicContact CD1-CB 3.89Å; L159-C217 HydrophobicContact CG-CB 4.39Å; L159-L218 HydrophobicContact CD2-CD1 4.3Å; L159-L218 HydrophobicContact CD2-CG 4.43Å; L159-L218 VanDerWaalsContact O-CD2 3.3Å; L159-L218 WeakPolarHBondContact O-CD2 3.42Å
160A95.1Very high94.3Very high49 Ų4954.7 Ų54.741%0.40527%0.27SS..Hα-helixtrans-61.6-33.8176.600000112.4F156 K157 L162 K163F156-A160 VanDerWaalsContact O-CB 3.23Å; F156-A160 WeakPolarHBondContact O-CB 3.43Å; F156-A160 PolarHBondContact O-N 3.21Å; K157-A160 PolarHBondContact O-N 3.09Å; A160-L162 PolarHBondContact O-N 2.85Å; A160-K163 WeakPolarHBondContact O-CG 3.35Å; A160-K163 PolarHBondContact O-N 3.19Å
161Q94.1Very high94.8Very high66 Ų6650.6 Ų50.631%0.30825%0.251SS..Hα-helixtrans-65.7-22.1175.4-74.6175.1-12.200113.2R47 K157 G158 L159 K163 D164R47-Q161 PolarHBondContact NH2-O 2.67Å; K157-Q161 WeakPolarHBondContact O-CG 3.48Å; K157-Q161 PolarHBondContact O-N 3.12Å; K157-Q161 VanDerWaalsContact O-N 3.08Å; G158-Q161 WeakPolarHBondContact O-CB 3.32Å; G158-Q161 PolarHBondContact O-N 3.19Å; L159-Q161 PolarHBondContact O-N 2.87Å; Q161-K163 VanDerWaalsContact C-N 3.34Å; Q161-D164 VanDerWaalsContact O-OD1 3.14Å
162L95.9Very high95.1Very high0 Ų051.3 Ų51.30%026%0.255CS..G310 helixtrans-85.8-4.5-178.7-60.4175000113.6E140 L159 A160 D164 Y165 M169 F171 L218E140-L162 HydrophobicContact CB-CD2 4.23Å; L159-L162 PolarHBondContact O-N 3.32Å; A160-L162 PolarHBondContact O-N 2.85Å; L162-D164 VanDerWaalsContact C-N 3.25Å; L162-D164 PolarHBondContact O-N 3.14Å; L162-Y165 HydrophobicContact CD2-CD2 3.88Å; L162-Y165 HydrophobicContact CD2-CE2 4.27Å; L162-Y165 WeakPolarHBondContact O-CB 3.41Å; L162-Y165 PolarHBondContact O-N 3.41Å; L162-M169 HydrophobicContact CB-CE 4.08Å; L162-M169 HydrophobicContact CB-SD 4.05Å; L162-M169 HydrophobicContact CD1-CE 4.37Å; L162-M169 HydrophobicContact CD1-SD 3.89Å; L162-M169 HydrophobicContact CD2-SD 4.36Å; L162-M169 HydrophobicContact CG-SD 4.32Å; L162-F171 HydrophobicContact CD1-CD2 4.15Å; L162-F171 HydrophobicContact CD1-CE2 3.78Å; L162-L218 HydrophobicContact CB-CD2 4.15Å
163K95.6Very high95.4Very high104 Ų10445.2 Ų45.245%0.45223%0.233SC..G310 helixtrans-61.6-32.2-177.1-74.9-173.8171.1-1700114.1A160 Q161 C217 T221A160-K163 WeakPolarHBondContact O-CG 3.35Å; A160-K163 PolarHBondContact O-N 3.19Å; Q161-K163 VanDerWaalsContact C-N 3.34Å; K163-C217 WeakPolarHBondContact CE-O 3.35Å; K163-C217 PolarHBondContact NZ-O 3.19Å; K163-T221 WeakPolarHBondContact CA-OG1 3.43Å; K163-T221 WeakPolarHBondContact O-CG2 3.38Å; K163-T221 PolarHBondContact O-OG1 3.41Å; K163-T221 VanDerWaalsContact O-OG1 3.05Å
164D94.9Very high95.6Very high61 Ų6141.2 Ų41.233%0.32621%0.208SC..G310 helixtrans-108.928.6-179.972.9-36.6000111.9R43 Q44 R47 Q161 L162R43-D164 IonicContact CZ-OD2 2.89Å; R43-D164 IonicContact NE-OD2 3.36Å; R43-D164 IonicContact NH2-OD1 3.67Å; R43-D164 IonicContact NH2-OD2 2.87Å; R43-D164 PolarHBondContact NH2-OD2 3.08Å; Q44-D164 PolarHBondContact NE2-O 2.71Å; Q44-D164 PolarHBondContact NE2-OD2 3.05Å; Q44-D164 PolarHBondContact OE1-O 3.05Å; R47-D164 IonicContact CZ-OD1 2.62Å; R47-D164 PolarHBondContact NH1-O 2.82Å; R47-D164 IonicContact NH1-OD1 3.7Å; R47-D164 PolarHBondContact NH1-OD1 3.26Å; R47-D164 IonicContact NH1-OD2 3.88Å; R47-D164 PolarHBondContact NH1-OD2 3.13Å; R47-D164 IonicContact NH2-OD1 2.68Å; Q161-D164 VanDerWaalsContact O-OD1 3.14Å; L162-D164 VanDerWaalsContact C-N 3.25Å; L162-D164 PolarHBondContact O-N 3.14Å
165Y96.2Very high95.8Very high7 Ų737.8 Ų37.83%0.02719%0.187CC..  trans-66.3130.8177.4-149.1-99.3000110.3R47 T51 A117 K119 L162 E167R47-Y165 HydrophobicContact CB-CE2 4.12Å; R47-Y165 HydrophobicContact CG-CD2 4.25Å; R47-Y165 HydrophobicContact CG-CE2 3.71Å; T51-Y165 PolarHBondContact OG1-OH 2.75Å; A117-Y165 HydrophobicContact CB-CE1 4.34Å; K119-Y165 PolarHBondContact NZ-OH 3.35Å; L162-Y165 HydrophobicContact CD2-CD2 3.88Å; L162-Y165 HydrophobicContact CD2-CE2 4.27Å; L162-Y165 WeakPolarHBondContact O-CB 3.41Å; L162-Y165 PolarHBondContact O-N 3.41Å; Y165-E167 VanDerWaalsContact C-N 3.28Å; Y165-E167 HydrophobicContact CD1-CB 4.36Å; Y165-E167 HydrophobicContact CE1-CB 4.42Å; Y165-E167 PolarHBondContact O-N 3.48Å
166P95.2Very high95.9Very high43 Ų4337.4 Ų37.428%0.27919%0.185SC..SBendtrans-77.8-10.1-167.626.9-31.6000114.7Q44 R47 K48Q44-P166 VanDerWaalsContact OE1-CB 3.22Å; R47-P166 HydrophobicContact CB-CG 3.77Å; K48-P166 HydrophobicContact CG-CB 4.15Å; K48-P166 HydrophobicContact CG-CG 3.87Å
167E95.8Very high95.6Very high38 Ų3835.5 Ų35.518%0.17819%0.187CC..SBendtrans-121.6142.5-174.6-59-86.2150.700108.5T51 R52 H89 A117 Y165 M169T51-E167 HydrophobicContact CG2-CG 4.09Å; R52-E167 IonicContact CZ-OE1 3.65Å; R52-E167 IonicContact CZ-OE2 3.71Å; R52-E167 IonicContact NH1-OE1 3.32Å; R52-E167 IonicContact NH1-OE2 3.77Å; R52-E167 PolarHBondContact NH1-OE2 3.42Å; R52-E167 VanDerWaalsContact NH2-CD 3.28Å; R52-E167 IonicContact NH2-OE1 3.48Å; R52-E167 PolarHBondContact NH2-OE1 2.77Å; R52-E167 IonicContact NH2-OE2 2.73Å; R52-E167 PolarHBondContact NH2-OE2 2.94Å; H89-E167 PolarHBondContact CE1-O 2.74Å; A117-E167 HydrophobicContact CB-CB 3.81Å; Y165-E167 VanDerWaalsContact C-N 3.28Å; Y165-E167 HydrophobicContact CD1-CB 4.36Å; Y165-E167 HydrophobicContact CE1-CB 4.42Å; Y165-E167 PolarHBondContact O-N 3.48Å; E167-M169 PolarHBondContact O-N 2.9Å
168F97.6Very high95.3Very high91 Ų9129.2 Ų29.240%0.39916%0.161SC..  trans-55.3119.3178-69.9-55.6000110.7G86 K87 E88 H89 V114G86-F168 WeakPolarHBondContact O-CD2 3.48Å; K87-F168 VanDerWaalsContact C-CZ 3.49Å; K87-F168 WeakPolarHBondContact O-CE1 3.23Å; K87-F168 WeakPolarHBondContact O-CZ 3.4Å; E88-F168 VanDerWaalsContact C-CD1 3.48Å; E88-F168 VanDerWaalsContact CA-CD1 3.48Å; H89-F168 AromaticContact CD2-CD1 3.66Å; H89-F168 AromaticContact NE2-CD1 3.77Å; V114-F168 HydrophobicContact CG1-CB 4.1Å
169M96.1Very high95.1Very high0 Ų032.3 Ų32.30%017%0.169CC..  trans-100.9125.4-170.4-177.217866.100110H89 V90 K119 L162 E167 F171 L218H89-M169 CarbonylContact C-O 3.52Å; H89-M169 WeakPolarHBondContact CA-O 3.15Å; H89-M169 WeakPolarHBondContact ND1-CB 3.43Å; H89-M169 PolarHBondContact ND1-N 2.9Å; V90-M169 PolarHBondContact N-O 3.33Å; K119-M169 HydrophobicContact CB-CG 4.29Å; K119-M169 HydrophobicContact CB-SD 4.29Å; K119-M169 HydrophobicContact CD-SD 4.48Å; K119-M169 HydrophobicContact CG-CG 3.51Å; K119-M169 HydrophobicContact CG-SD 3.46Å; K119-M169 WeakPolarHBondContact CG-SD 3.44Å; L162-M169 HydrophobicContact CB-CE 4.08Å; L162-M169 HydrophobicContact CB-SD 4.05Å; L162-M169 HydrophobicContact CD1-CE 4.37Å; L162-M169 HydrophobicContact CD1-SD 3.89Å; L162-M169 HydrophobicContact CD2-SD 4.36Å; L162-M169 HydrophobicContact CG-SD 4.32Å; E167-M169 PolarHBondContact O-N 2.9Å; M169-F171 HydrophobicContact CE-CB 4.32Å; M169-F171 HydrophobicContact CE-CD2 4.06Å; M169-F171 HydrophobicContact SD-CD2 4.06Å; M169-L218 HydrophobicContact CE-CD1 3.77Å; M169-L218 HydrophobicContact CE-CD2 4.31Å
170W98.1Very high95Very high8 Ų834.8 Ų34.83%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-103.5103.5170.9-80.625.9000108.4F85 V90 I92 M108 Y112 V114 K119 Y226F85-W170 HydrophobicContact CB-CH2 4.18Å; F85-W170 HydrophobicContact CB-CZ2 4.02Å; F85-W170 HydrophobicContact CD1-CH2 4.23Å; F85-W170 HydrophobicContact CD1-CZ2 4.19Å; F85-W170 HydrophobicContact CG-CH2 4.13Å; F85-W170 HydrophobicContact CG-CZ2 4.25Å; V90-W170 HydrophobicContact CG2-CB 4.37Å; V90-W170 VanDerWaalsContact CG2-CD1 3.45Å; V90-W170 HydrophobicContact CG2-CD2 4.18Å; V90-W170 HydrophobicContact CG2-CG 3.77Å; I92-W170 HydrophobicContact CD1-CB 3.76Å; I92-W170 HydrophobicContact CD1-CD2 3.84Å; I92-W170 HydrophobicContact CD1-CE3 3.47Å; I92-W170 VanDerWaalsContact CD1-CE3 3.47Å; I92-W170 HydrophobicContact CD1-CG 4.01Å; I92-W170 HydrophobicContact CD1-CZ3 4.3Å; M108-W170 HydrophobicContact CB-CZ3 4.12Å; Y112-W170 HydrophobicContact CD2-CH2 4.35Å; V114-W170 HydrophobicContact CB-CG 4.46Å; V114-W170 HydrophobicContact CG2-CB 4.38Å; V114-W170 HydrophobicContact CG2-CD2 3.58Å; V114-W170 HydrophobicContact CG2-CE3 3.95Å; V114-W170 HydrophobicContact CG2-CG 3.75Å; V114-W170 HydrophobicContact CG2-CZ2 4.43Å; K119-W170 PolarHBondContact N-O 3.01Å; W170-Y226 HydrophobicContact CH2-CE2 4.26Å; W170-Y226 HydrophobicContact CZ2-CD2 4.38Å; W170-Y226 AromaticContact CZ2-CE2 3.74Å; W170-Y226 HydrophobicContact CZ2-CE2 3.74Å
171F97.9Very high94.9Very high1 Ų134.8 Ų34.80%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-99.4102.7-170.9-165.9-77.2000111.1V90 I91 I92 K119 L121 L159 L162 M169 L173 T214 L218V90-F171 PolarHBondContact O-N 3.25Å; I91-F171 CarbonylContact C-O 3.57Å; I91-F171 WeakPolarHBondContact CA-O 3.46Å; I92-F171 PolarHBondContact N-O 3.48Å; K119-F171 HydrophobicContact CB-CD2 3.52Å; K119-F171 HydrophobicContact CB-CE2 3.96Å; K119-F171 HydrophobicContact CB-CG 4.23Å; K119-F171 HydrophobicContact CG-CD2 4.23Å; L121-F171 HydrophobicContact CD2-CE1 4.24Å; L121-F171 HydrophobicContact CD2-CZ 3.76Å; L121-F171 HydrophobicContact CG-CE1 3.83Å; L121-F171 HydrophobicContact CG-CZ 3.84Å; L159-F171 HydrophobicContact CD2-CE1 4.32Å; L159-F171 HydrophobicContact CD2-CE2 3.75Å; L159-F171 HydrophobicContact CD2-CZ 3.54Å; L162-F171 HydrophobicContact CD1-CD2 4.15Å; L162-F171 HydrophobicContact CD1-CE2 3.78Å; M169-F171 HydrophobicContact CE-CB 4.32Å; M169-F171 HydrophobicContact CE-CD2 4.06Å; M169-F171 HydrophobicContact SD-CD2 4.06Å; F171-L173 HydrophobicContact CD1-CD2 4.28Å; F171-L173 HydrophobicContact CD1-CG 4.24Å; F171-L173 HydrophobicContact CE1-CD2 3.81Å; F171-L173 HydrophobicContact CE1-CG 4.27Å; F171-T214 HydrophobicContact CD1-CG2 3.74Å; F171-T214 HydrophobicContact CE1-CG2 3.65Å; F171-T214 HydrophobicContact CG-CG2 4.45Å; F171-T214 HydrophobicContact CZ-CG2 4.32Å; F171-L218 HydrophobicContact CD2-CD1 4.31Å; F171-L218 HydrophobicContact CG-CD1 4.39Å
172L97.6Very high94.9Very high25 Ų2536.1 Ų36.113%0.13119%0.19CC..EExtended strand (participates in β ladder)trans-79.5133.5-174.9-179.763.4000113.1I92 L94 K119 V120 Y174I92-L172 HydrophobicContact CB-CD1 4.14Å; I92-L172 HydrophobicContact CG2-CD1 3.84Å; L94-L172 HydrophobicContact CB-CD1 3.65Å; L94-L172 HydrophobicContact CD2-CD1 4.14Å; K119-L172 WeakPolarHBondContact O-CB 3.4Å; K119-L172 PolarHBondContact O-N 2.81Å; V120-L172 WeakPolarHBondContact CA-O 3.44Å; V120-L172 HydrophobicContact CB-CB 4.32Å; V120-L172 HydrophobicContact CG2-CB 4.24Å; V120-L172 HydrophobicContact CG2-CD2 4.36Å; V120-L172 HydrophobicContact CG2-CG 4.37Å; L172-Y174 HydrophobicContact CD2-CD2 4.43Å; L172-Y174 HydrophobicContact CD2-CE2 3.62Å; L172-Y174 HydrophobicContact CG-CD2 4.48Å; L172-Y174 HydrophobicContact CG-CE2 4.11Å
173L96.8Very high94.8Very high9 Ų943.5 Ų43.55%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-127.7127.9170.4-66.6178.8000110.6I91 I92 I93 L94 L121 F171 F211 T214I91-L173 HydrophobicContact CG2-CD1 3.64Å; I91-L173 HydrophobicContact CG2-CG 4.18Å; I92-L173 PolarHBondContact O-N 3.28Å; I93-L173 WeakPolarHBondContact CA-O 3.48Å; L94-L173 PolarHBondContact N-O 3.3Å; L94-L173 VanDerWaalsContact N-O 3.13Å; L121-L173 HydrophobicContact CB-CD2 4.21Å; L121-L173 HydrophobicContact CD1-CD2 3.47Å; L121-L173 VanDerWaalsContact CD1-CD2 3.47Å; L121-L173 HydrophobicContact CG-CD2 3.73Å; F171-L173 HydrophobicContact CD1-CD2 4.28Å; F171-L173 HydrophobicContact CD1-CG 4.24Å; F171-L173 HydrophobicContact CE1-CD2 3.81Å; F171-L173 HydrophobicContact CE1-CG 4.27Å; L173-F211 HydrophobicContact CD1-CB 4.22Å; L173-F211 HydrophobicContact CD1-CD2 3.98Å; L173-T214 HydrophobicContact CD1-CG2 4.31Å
174Y95.8Very high94.7Very high45 Ų4540.1 Ų40.118%0.17621%0.207CC..  trans-96.991162.5-66.5-72.7000108.3L94 H96 D101 F102 L172 E176 G177L94-Y174 HydrophobicContact CB-CD1 4.13Å; L94-Y174 HydrophobicContact CB-CE1 3.82Å; L94-Y174 HydrophobicContact CD2-CE1 3.71Å; L94-Y174 HydrophobicContact CG-CD1 4.45Å; L94-Y174 HydrophobicContact CG-CE1 3.74Å; L94-Y174 VanDerWaalsContact O-CD1 3.29Å; L94-Y174 WeakPolarHBondContact O-CD1 3.12Å; H96-Y174 HydrophobicContact CB-CD1 3.47Å; H96-Y174 VanDerWaalsContact CB-CD1 3.47Å; H96-Y174 HydrophobicContact CB-CE1 4.02Å; H96-Y174 HydrophobicContact CB-CG 4.06Å; H96-Y174 AromaticContact CD2-CG 3.95Å; H96-Y174 AromaticContact CG-CD1 3.57Å; H96-Y174 AromaticContact CG-CE1 3.85Å; H96-Y174 AromaticContact CG-CG 3.91Å; H96-Y174 AromaticContact ND1-CD1 3.91Å; H96-Y174 AromaticContact ND1-CE1 3.67Å; D101-Y174 HydrophobicContact CB-CE1 4.21Å; D101-Y174 WeakPolarHBondContact CB-OH 3.48Å; F102-Y174 PolarHBondContact N-OH 3.03Å; L172-Y174 HydrophobicContact CD2-CD2 4.43Å; L172-Y174 HydrophobicContact CD2-CE2 3.62Å; L172-Y174 HydrophobicContact CG-CD2 4.48Å; L172-Y174 HydrophobicContact CG-CE2 4.11Å; Y174-E176 PolarHBondContact O-N 3.18Å; Y174-G177 PolarHBondContact O-N 3.36Å
175C95.8Very high94.8Very high8 Ų838.9 Ų38.95%0.05420%0.199CC..THydrogen-bonded Turntrans-66.9-19.5-174.6-61.90000112.5G177 P206 R207 L274 Y278C175-G177 PolarHBondContact O-N 3.18Å; C175-P206 HydrophobicContact CB-CB 3.95Å; C175-P206 CarbonylContact O-C 3.56Å; C175-P206 WeakPolarHBondContact O-CA 3.43Å; C175-R207 PolarHBondContact O-N 2.98Å; C175-L274 HydrophobicContact CB-CD2 4.19Å; C175-Y278 HydrophobicContact CB-CE2 3.83Å; C175-Y278 WeakPolarHBondContact CB-OH 3.36Å
176E93.9Very high94.8Very high0 Ų044.2 Ų44.20%022%0.224CC..THydrogen-bonded Turntrans-61.3-24.1169.3-62.6-175.5-113.700112.6N95 H96 Y174 T178 H203 L204 Y278N95-E176 VanDerWaalsContact CA-OE1 3.26Å; N95-E176 WeakPolarHBondContact CA-OE1 3.43Å; H96-E176 PolarHBondContact N-OE1 3.29Å; Y174-E176 PolarHBondContact O-N 3.18Å; E176-T178 PolarHBondContact O-N 2.82Å; E176-T178 VanDerWaalsContact O-N 3.12Å; E176-H203 IonicContact OE1-ND1 3.15Å; E176-L204 HydrophobicContact CB-CB 4.08Å; E176-L204 HydrophobicContact CB-CD1 4.43Å; E176-L204 HydrophobicContact CG-CB 4.14Å; E176-L204 PolarHBondContact OE2-N 2.91Å; E176-Y278 HydrophobicContact CG-CE1 3.57Å; E176-Y278 PolarHBondContact N-OH 2.85Å
177G88.8Confident94.8Very high36 Ų3644 Ų4437%0.37122%0.22SC..SBendtrans72.6-3.4177.100000115.2Y174 C175Y174-G177 PolarHBondContact O-N 3.36Å; C175-G177 PolarHBondContact O-N 3.18Å
178T89.6Confident94.8Very high13 Ų1342.2 Ų42.28%0.0821%0.212CC..SBendtrans-163.8157.6175.4174.80000109.9E176 K184 L204 Y368E176-T178 PolarHBondContact O-N 2.82Å; E176-T178 VanDerWaalsContact O-N 3.12Å; T178-K184 HydrophobicContact CG2-CD 3.83Å; T178-K184 PolarHBondContact OG1-NZ 3.25Å; T178-L204 HydrophobicContact CG2-CD1 3.53Å; T178-Y368 HydrophobicContact CG2-CD2 3.31Å; T178-Y368 HydrophobicContact CG2-CE2 3.8Å; T178-Y368 HydrophobicContact CG2-CG 3.75Å
179R91.2Very high94.8Very high75 Ų7538.8 Ų38.828%0.28320%0.197SC..  trans-56.9137167-73.8-176.1-72.8176.7-2.8112.4H96 K184H96-R179 PolarHBondContact CD2-N 2.83Å; H96-R179 WeakPolarHBondContact CE1-CG 3.41Å; H96-R179 VanDerWaalsContact NE2-CG 3.3Å; H96-R179 WeakPolarHBondContact NE2-CG 3.46Å; H96-R179 CarbonylContact O-C 3.59Å; H96-R179 WeakPolarHBondContact O-CA 3.36Å; R179-K184 WeakPolarHBondContact O-CD 3.36Å; R179-K184 PolarHBondContact O-NZ 3.02Å
180F93.1Very high94.8Very high51 Ų5144.7 Ų44.722%0.22423%0.225CC..  trans-58.4135.2171.3-174-81.4000110.9H96 H185 Y202 L204H96-F180 PolarHBondContact O-N 3.16Å; F180-H185 HydrophobicContact CD2-CB 4.44Å; F180-H185 HydrophobicContact CE1-CB 4.4Å; F180-H185 HydrophobicContact CE2-CB 3.65Å; F180-H185 AromaticContact CE2-CD2 3.43Å; F180-H185 VanDerWaalsContact CE2-CD2 3.43Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.46Å; F180-H185 AromaticContact CE2-CG 3.66Å; F180-H185 HydrophobicContact CZ-CB 3.62Å; F180-H185 AromaticContact CZ-CD2 3.86Å; F180-H185 AromaticContact CZ-CG 3.68Å; F180-Y202 WeakPolarHBondContact CE2-O 3.39Å; F180-L204 HydrophobicContact CD2-CD2 3.95Å; F180-L204 HydrophobicContact CD2-CG 4.16Å; F180-L204 HydrophobicContact CE2-CD2 4.33Å
181T92.9Very high94.6Very high50 Ų5046.7 Ų46.731%0.30724%0.238SC..  trans-150.1149.316858.60000107.1K183 K184 H185T181-K183 VanDerWaalsContact C-N 3.3Å; T181-K183 PolarHBondContact O-N 3.11Å; T181-K184 PolarHBondContact O-N 3.27Å; T181-K184 WeakPolarHBondContact OG1-CB 3.48Å; T181-K184 VanDerWaalsContact OG1-CD 3.3Å; T181-K184 WeakPolarHBondContact OG1-CD 3.36Å; T181-K184 WeakPolarHBondContact OG1-CG 3.41Å; T181-K184 PolarHBondContact OG1-N 3.36Å; T181-H185 PolarHBondContact O-N 3.4Å
182P93.8Very high94.5Very high94 Ų9446.7 Ų46.761%0.6124%0.238SC*.Hα-helixtrans-49-48-178.9-29.935.6000113.6K184 H185 E186P182-K184 VanDerWaalsContact C-N 3.34Å; P182-K184 PolarHBondContact O-N 2.83Å; P182-H185 WeakPolarHBondContact O-CB 3.47Å; P182-H185 PolarHBondContact O-N 3.26Å; P182-H185 VanDerWaalsContact O-N 3.08Å; P182-E186 PolarHBondContact O-N 2.88Å
183K94.2Very high94.4Very high154 Ų15451.6 Ų51.667%0.6726%0.26SS*.Hα-helixtrans-58.5-38.5176.8-178.4171.1-176.6167.10114.5T181 I187T181-K183 VanDerWaalsContact C-N 3.3Å; T181-K183 PolarHBondContact O-N 3.11Å; K183-I187 HydrophobicContact CG-CD1 4.42Å; K183-I187 WeakPolarHBondContact O-CD1 3.42Å; K183-I187 VanDerWaalsContact O-CG1 3.31Å; K183-I187 WeakPolarHBondContact O-CG1 3.25Å; K183-I187 PolarHBondContact O-N 3.46Å
184K94.1Very high94.3Very high34 Ų3455.7 Ų55.715%0.14829%0.289CS..Hα-helixtrans-76.7-30.1178.3-69.8172.9-167.5166.90111.6T178 R179 T181 P182 S188 L204 Y368T178-K184 HydrophobicContact CG2-CD 3.83Å; T178-K184 PolarHBondContact OG1-NZ 3.25Å; R179-K184 WeakPolarHBondContact O-CD 3.36Å; R179-K184 PolarHBondContact O-NZ 3.02Å; T181-K184 PolarHBondContact O-N 3.27Å; T181-K184 WeakPolarHBondContact OG1-CB 3.48Å; T181-K184 VanDerWaalsContact OG1-CD 3.3Å; T181-K184 WeakPolarHBondContact OG1-CD 3.36Å; T181-K184 WeakPolarHBondContact OG1-CG 3.41Å; T181-K184 PolarHBondContact OG1-N 3.36Å; P182-K184 VanDerWaalsContact C-N 3.34Å; P182-K184 PolarHBondContact O-N 2.83Å; K184-S188 VanDerWaalsContact O-CB 3.28Å; K184-S188 WeakPolarHBondContact O-CB 3.26Å; K184-S188 PolarHBondContact O-N 2.84Å; K184-L204 HydrophobicContact CB-CD1 4.29Å; K184-L204 HydrophobicContact CB-CD2 4.25Å; K184-Y368 HydrophobicContact CB-CD1 4Å; K184-Y368 HydrophobicContact CB-CE1 4.43Å; K184-Y368 HydrophobicContact CG-CD1 4.16Å; K184-Y368 HydrophobicContact CG-CG 4.45Å
185H96.5Very high94.2Very high35 Ų3560.4 Ų60.416%0.16231%0.311CS..Hα-helixtrans-65.9-48.3175177.3-101.3000110.6F180 T181 P182 I187 S188 M189 L200 K201 L204F180-H185 HydrophobicContact CD2-CB 4.44Å; F180-H185 HydrophobicContact CE1-CB 4.4Å; F180-H185 HydrophobicContact CE2-CB 3.65Å; F180-H185 AromaticContact CE2-CD2 3.43Å; F180-H185 VanDerWaalsContact CE2-CD2 3.43Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.46Å; F180-H185 AromaticContact CE2-CG 3.66Å; F180-H185 HydrophobicContact CZ-CB 3.62Å; F180-H185 AromaticContact CZ-CD2 3.86Å; F180-H185 AromaticContact CZ-CG 3.68Å; T181-H185 PolarHBondContact O-N 3.4Å; P182-H185 WeakPolarHBondContact O-CB 3.47Å; P182-H185 PolarHBondContact O-N 3.26Å; P182-H185 VanDerWaalsContact O-N 3.08Å; H185-I187 PolarHBondContact O-N 3.12Å; H185-S188 CarbonylContact O-C 3.57Å; H185-S188 WeakPolarHBondContact O-CA 3.46Å; H185-S188 WeakPolarHBondContact O-CB 3.39Å; H185-S188 PolarHBondContact O-N 3.29Å; H185-M189 WeakPolarHBondContact O-CG 3.16Å; H185-M189 PolarHBondContact O-N 3.07Å; H185-L200 PolarHBondContact NE2-O 2.86Å; H185-K201 PolarHBondContact NE2-O 3.01Å; H185-L204 VanDerWaalsContact CA-CD2 3.45Å; H185-L204 HydrophobicContact CB-CD2 3.95Å
186E96.2Very high94.2Very high119 Ų11963.4 Ų63.456%0.55634%0.343SS*.Hα-helixtrans-50-54.8172.2-71.5164.6-168.600111.6P182 S188 M189 E190P182-E186 PolarHBondContact O-N 2.88Å; E186-S188 VanDerWaalsContact C-N 3.28Å; E186-S188 PolarHBondContact O-N 3.3Å; E186-M189 WeakPolarHBondContact O-CB 3.45Å; E186-M189 PolarHBondContact O-N 2.91Å; E186-E190 PolarHBondContact O-N 3.19Å
187I95.6Very high94.2Very high38 Ų3865.6 Ų65.620%0.19536%0.355CS..Hα-helixtrans-59.1-40.4177.1-63.8165.2000111.4K183 H185 M189 E190 V191 Y368K183-I187 HydrophobicContact CG-CD1 4.42Å; K183-I187 WeakPolarHBondContact O-CD1 3.42Å; K183-I187 VanDerWaalsContact O-CG1 3.31Å; K183-I187 WeakPolarHBondContact O-CG1 3.25Å; K183-I187 PolarHBondContact O-N 3.46Å; H185-I187 PolarHBondContact O-N 3.12Å; I187-M189 VanDerWaalsContact C-N 3.26Å; I187-M189 PolarHBondContact O-N 2.77Å; I187-E190 PolarHBondContact O-N 2.99Å; I187-V191 WeakPolarHBondContact O-CG2 3.29Å; I187-V191 PolarHBondContact O-N 3.38Å; I187-V191 VanDerWaalsContact O-N 3.09Å; I187-Y368 HydrophobicContact CG2-CD1 4.48Å
188S95.8Very high94.5Very high0 Ų066.9 Ų66.90%036%0.356CS..Hα-helixtrans-64.9-31.2177.6-166.60000112.6K184 H185 E186 A192 L205 Y368K184-S188 VanDerWaalsContact O-CB 3.28Å; K184-S188 WeakPolarHBondContact O-CB 3.26Å; K184-S188 PolarHBondContact O-N 2.84Å; H185-S188 CarbonylContact O-C 3.57Å; H185-S188 WeakPolarHBondContact O-CA 3.46Å; H185-S188 WeakPolarHBondContact O-CB 3.39Å; H185-S188 PolarHBondContact O-N 3.29Å; E186-S188 VanDerWaalsContact C-N 3.28Å; E186-S188 PolarHBondContact O-N 3.3Å; S188-A192 PolarHBondContact O-N 3.42Å; S188-L205 PolarHBondContact OG-N 3.38Å; S188-Y368 PolarHBondContact OG-OH 2.99Å
189M96.8Very high94.8Very high19 Ų1971.9 Ų71.99%0.09438%0.377CS..Hα-helixtrans-76.8-35.4178.5-66.9-52.9105.800112.1H185 E186 I187 V191 A192 E193 K199 L200H185-M189 WeakPolarHBondContact O-CG 3.16Å; H185-M189 PolarHBondContact O-N 3.07Å; E186-M189 WeakPolarHBondContact O-CB 3.45Å; E186-M189 PolarHBondContact O-N 2.91Å; I187-M189 VanDerWaalsContact C-N 3.26Å; I187-M189 PolarHBondContact O-N 2.77Å; M189-V191 VanDerWaalsContact C-N 3.32Å; M189-A192 WeakPolarHBondContact O-CB 3.2Å; M189-A192 PolarHBondContact O-N 3.37Å; M189-E193 PolarHBondContact O-N 2.86Å; M189-K199 HydrophobicContact CB-CD 4.46Å; M189-K199 HydrophobicContact SD-CB 3.61Å; M189-K199 HydrophobicContact SD-CG 3.93Å; M189-L200 HydrophobicContact CE-CB 4.17Å; M189-L200 WeakPolarHBondContact CE-O 3.31Å; M189-L200 PolarHBondContact SD-N 2.83Å
190E96.1Very high95.1Very high125 Ų12568.7 Ų68.758%0.58437%0.366SS*.Hα-helixtrans-60.7-43169.1-66.5171.9-178.700111E186 I187 A192 E193 S194E186-E190 PolarHBondContact O-N 3.19Å; I187-E190 PolarHBondContact O-N 2.99Å; E190-A192 VanDerWaalsContact C-N 3.31Å; E190-A192 PolarHBondContact O-N 2.86Å; E190-E193 PolarHBondContact O-N 2.6Å; E190-S194 PolarHBondContact O-N 3.25Å; E190-S194 PolarHBondContact O-OG 3.24Å
191V94.5Very high95.3Very high50 Ų5071.8 Ų71.830%0.30338%0.379SS..Hα-helixtrans-64.3-36.6174.5174.40000111.5I187 M189 S194 K195 L205I187-V191 WeakPolarHBondContact O-CG2 3.29Å; I187-V191 PolarHBondContact O-N 3.38Å; I187-V191 VanDerWaalsContact O-N 3.09Å; M189-V191 VanDerWaalsContact C-N 3.32Å; V191-S194 WeakPolarHBondContact CA-OG 3.3Å; V191-S194 PolarHBondContact O-OG 2.95Å; V191-K195 HydrophobicContact CG1-CD 4Å; V191-K195 WeakPolarHBondContact O-CB 3.47Å; V191-K195 WeakPolarHBondContact O-CG 3.45Å; V191-K195 PolarHBondContact O-N 3.34Å; V191-L205 HydrophobicContact CG1-CD1 4.36Å
192A95.3Very high95.5Very high0 Ų071.4 Ų71.40%037%0.372CS..Hα-helixtrans-61.8-49.2175.600000111.4S188 M189 E190 K195 G196 L197 K199 L205S188-A192 PolarHBondContact O-N 3.42Å; M189-A192 WeakPolarHBondContact O-CB 3.2Å; M189-A192 PolarHBondContact O-N 3.37Å; E190-A192 VanDerWaalsContact C-N 3.31Å; E190-A192 PolarHBondContact O-N 2.86Å; A192-K195 CarbonylContact O-C 3.47Å; A192-K195 PolarHBondContact O-N 3Å; A192-G196 PolarHBondContact O-N 3.3Å; A192-G196 VanDerWaalsContact O-N 3.08Å; A192-L197 HydrophobicContact CB-CB 4.41Å; A192-L197 PolarHBondContact O-N 3.2Å; A192-K199 HydrophobicContact CB-CG 4.21Å; A192-L205 VanDerWaalsContact CA-CD1 3.44Å; A192-L205 HydrophobicContact CB-CD1 3.47Å; A192-L205 VanDerWaalsContact CB-CD1 3.47Å; A192-L205 HydrophobicContact CB-CD2 4.29Å; A192-L205 HydrophobicContact CB-CG 4.07Å
193E95.6Very high95.6Very high128 Ų12867 Ų6760%0.59834%0.343SS*.Hα-helixtrans-61.5-48.6179.7-175161-15900112.3M189 E190 K195 G196 K199M189-E193 PolarHBondContact O-N 2.86Å; E190-E193 PolarHBondContact O-N 2.6Å; E193-K195 PolarHBondContact O-N 3.33Å; E193-K195 VanDerWaalsContact O-N 3.15Å; E193-G196 PolarHBondContact O-N 2.83Å; E193-K199 IonicContact OE1-NZ 3.55Å; E193-K199 WeakPolarHBondContact OE2-CE 3.29Å; E193-K199 IonicContact OE2-NZ 3.56Å; E193-K199 PolarHBondContact OE2-NZ 2.87Å
194S95.9Very high95.8Very high95 Ų9559.6 Ų59.666%0.66431%0.311SS*.Hα-helixtrans-62.2-23.3178.361.60000114.1E190 V191E190-S194 PolarHBondContact O-N 3.25Å; E190-S194 PolarHBondContact O-OG 3.24Å; V191-S194 WeakPolarHBondContact CA-OG 3.3Å; V191-S194 PolarHBondContact O-OG 2.95Å
195K93.3Very high95.9Very high145 Ų14558.7 Ų58.763%0.6331%0.308SS*.THydrogen-bonded Turntrans-100.62.1178.1-67-176176.9-174.10113.6V191 A192 E193 L197V191-K195 HydrophobicContact CG1-CD 4Å; V191-K195 WeakPolarHBondContact O-CB 3.47Å; V191-K195 WeakPolarHBondContact O-CG 3.45Å; V191-K195 PolarHBondContact O-N 3.34Å; A192-K195 CarbonylContact O-C 3.47Å; A192-K195 PolarHBondContact O-N 3Å; E193-K195 PolarHBondContact O-N 3.33Å; E193-K195 VanDerWaalsContact O-N 3.15Å; K195-L197 HydrophobicContact CB-CD1 4.02Å; K195-L197 HydrophobicContact CB-CG 4.01Å; K195-L197 HydrophobicContact CD-CD1 4.32Å; K195-L197 PolarHBondContact O-N 2.9Å
196G94.4Very high95.9Very high70 Ų7057.4 Ų57.472%0.72230%0.302SS*.THydrogen-bonded Turntrans62.525.5-174.800000113.7A192 E193A192-G196 PolarHBondContact O-N 3.3Å; A192-G196 VanDerWaalsContact O-N 3.08Å; E193-G196 PolarHBondContact O-N 2.83Å
197L94.9Very high95.7Very high47 Ų4757.8 Ų57.825%0.24630%0.299CS..PPolyproline II helixtrans-91.5148.5177.5-66.8172.9000110.6A192 K195 K199 L205A192-L197 HydrophobicContact CB-CB 4.41Å; A192-L197 PolarHBondContact O-N 3.2Å; K195-L197 HydrophobicContact CB-CD1 4.02Å; K195-L197 HydrophobicContact CB-CG 4.01Å; K195-L197 HydrophobicContact CD-CD1 4.32Å; K195-L197 PolarHBondContact O-N 2.9Å; L197-K199 PolarHBondContact O-N 2.97Å; L197-L205 HydrophobicContact CD1-CD1 4.05Å
198P94.9Very high95.7Very high63 Ų6357.7 Ų57.741%0.40930%0.3SS..PPolyproline II helixtrans-57135.7174.3-26.736.4000112.5Q279P198-Q279 HydrophobicContact CB-CG 4.4Å
199K96.5Very high95.5Very high118 Ų11861.1 Ų61.151%0.51332%0.315SS..PPolyproline II helixtrans-72.2132.6172.2-70.6-176.1177.9179.50109.4M189 A192 E193 L197M189-K199 HydrophobicContact CB-CD 4.46Å; M189-K199 HydrophobicContact SD-CB 3.61Å; M189-K199 HydrophobicContact SD-CG 3.93Å; A192-K199 HydrophobicContact CB-CG 4.21Å; E193-K199 IonicContact OE1-NZ 3.55Å; E193-K199 WeakPolarHBondContact OE2-CE 3.29Å; E193-K199 IonicContact OE2-NZ 3.56Å; E193-K199 PolarHBondContact OE2-NZ 2.87Å; L197-K199 PolarHBondContact O-N 2.97Å
200L97.4Very high95.3Very high8 Ų861.6 Ų61.64%0.04233%0.325CS..PPolyproline II helixtrans-102.2140.9177-57.1179.5000108.9H185 M189 H203 L205 Y278 Q279 D282H185-L200 PolarHBondContact NE2-O 2.86Å; M189-L200 HydrophobicContact CE-CB 4.17Å; M189-L200 WeakPolarHBondContact CE-O 3.31Å; M189-L200 PolarHBondContact SD-N 2.83Å; L200-H203 WeakPolarHBondContact CB-O 3.41Å; L200-H203 HydrophobicContact CD1-CB 4.17Å; L200-L205 HydrophobicContact CD1-CD2 4.09Å; L200-L205 HydrophobicContact CG-CD2 4.28Å; L200-Y278 HydrophobicContact CD1-CD1 4.39Å; L200-Q279 HydrophobicContact CD2-CB 4.47Å; L200-Q279 HydrophobicContact CD2-CG 3.86Å; L200-D282 HydrophobicContact CD2-CB 4.05Å
201K97Very high95.3Very high115 Ų11555.7 Ų55.750%0.530%0.297SS..SBendtrans-89.3-33.2-175.6-175.7174.2173.8-163.20113.4H185 D282 E286H185-K201 PolarHBondContact NE2-O 3.01Å; K201-D282 VanDerWaalsContact N-CG 3.27Å; K201-D282 PolarHBondContact N-OD1 3.17Å; K201-D282 PolarHBondContact N-OD2 3.47Å; K201-E286 IonicContact NZ-OE1 3.84Å
202Y96.7Very high95.3Very high43 Ų4353.8 Ų53.817%0.16929%0.285CS..SBendtrans-120.5-8-170.6-56.4-81.1000114.5F180 D282 Q285 E286 E289F180-Y202 WeakPolarHBondContact CE2-O 3.39Å; Y202-D282 WeakPolarHBondContact CA-OD1 3.45Å; Y202-D282 PolarHBondContact N-OD1 3.01Å; Y202-Q285 HydrophobicContact CD1-CG 3.94Å; Y202-Q285 HydrophobicContact CD2-CB 4.16Å; Y202-Q285 HydrophobicContact CD2-CG 4.07Å; Y202-Q285 HydrophobicContact CG-CB 4.09Å; Y202-Q285 HydrophobicContact CG-CG 3.53Å; Y202-E286 HydrophobicContact CD2-CB 4.32Å; Y202-E286 VanDerWaalsContact CE2-CA 3.49Å; Y202-E286 HydrophobicContact CE2-CB 3.54Å; Y202-E286 HydrophobicContact CE2-CG 3.88Å; Y202-E289 HydrophobicContact CD1-CG 4.41Å; Y202-E289 HydrophobicContact CE1-CG 3.74Å
203H97.1Very high95.3Very high0 Ų054 Ų540%029%0.287CS..SBendtrans-124.8156.9177.8-64.1-66.4000112.6N95 E176 L200 Y278 D282N95-H203 VanDerWaalsContact CB-CE1 3.46Å; N95-H203 WeakPolarHBondContact CB-CE1 3.38Å; E176-H203 IonicContact OE1-ND1 3.15Å; L200-H203 WeakPolarHBondContact CB-O 3.41Å; L200-H203 HydrophobicContact CD1-CB 4.17Å; H203-Y278 HydrophobicContact CB-CD1 4.03Å; H203-Y278 HydrophobicContact CB-CE1 4.35Å; H203-D282 IonicContact CD2-OD1 2.71Å; H203-D282 PolarHBondContact N-OD1 2.92Å
204L97.3Very high95.3Very high0 Ų048 Ų480%026%0.259CS..PPolyproline II helixtrans-76.1157.2162.7-52.7-176.6000110.1E176 T178 F180 K184 H185 Y368E176-L204 HydrophobicContact CB-CB 4.08Å; E176-L204 HydrophobicContact CB-CD1 4.43Å; E176-L204 HydrophobicContact CG-CB 4.14Å; E176-L204 PolarHBondContact OE2-N 2.91Å; T178-L204 HydrophobicContact CG2-CD1 3.53Å; F180-L204 HydrophobicContact CD2-CD2 3.95Å; F180-L204 HydrophobicContact CD2-CG 4.16Å; F180-L204 HydrophobicContact CE2-CD2 4.33Å; K184-L204 HydrophobicContact CB-CD1 4.29Å; K184-L204 HydrophobicContact CB-CD2 4.25Å; H185-L204 VanDerWaalsContact CA-CD2 3.45Å; H185-L204 HydrophobicContact CB-CD2 3.95Å; L204-Y368 HydrophobicContact CD1-CE1 4.44Å; L204-Y368 HydrophobicContact CD1-CE2 4.35Å
205L96.4Very high95.3Very high14 Ų1444 Ų447%0.07323%0.23CC..PPolyproline II helixtrans-62.3133.2171.9-78.2-176.9000110.3S188 V191 A192 L197 L200S188-L205 PolarHBondContact OG-N 3.38Å; V191-L205 HydrophobicContact CG1-CD1 4.36Å; A192-L205 VanDerWaalsContact CA-CD1 3.44Å; A192-L205 HydrophobicContact CB-CD1 3.47Å; A192-L205 VanDerWaalsContact CB-CD1 3.47Å; A192-L205 HydrophobicContact CB-CD2 4.29Å; A192-L205 HydrophobicContact CB-CG 4.07Å; L197-L205 HydrophobicContact CD1-CD1 4.05Å; L200-L205 HydrophobicContact CD1-CD2 4.09Å; L200-L205 HydrophobicContact CG-CD2 4.28Å
206P96.1Very high95.3Very high8 Ų841 Ų415%0.05223%0.227CC..PPolyproline II helixtrans-68.9138.417828.5-34.9000111.4C175 L274 Y278C175-P206 HydrophobicContact CB-CB 3.95Å; C175-P206 CarbonylContact O-C 3.56Å; C175-P206 WeakPolarHBondContact O-CA 3.43Å; P206-L274 HydrophobicContact CB-CD2 3.84Å; P206-L274 HydrophobicContact CB-CG 3.94Å; P206-L274 HydrophobicContact CG-CD2 4.42Å; P206-L274 HydrophobicContact CG-CG 4.14Å; P206-Y278 HydrophobicContact CB-CD1 4.36Å; P206-Y278 HydrophobicContact CB-CD2 3.56Å; P206-Y278 HydrophobicContact CB-CE1 4.4Å; P206-Y278 HydrophobicContact CB-CE2 3.59Å; P206-Y278 HydrophobicContact CB-CG 3.95Å; P206-Y278 HydrophobicContact CG-CD1 4.33Å; P206-Y278 HydrophobicContact CG-CD2 3.59Å; P206-Y278 HydrophobicContact CG-CE2 4.17Å; P206-Y278 HydrophobicContact CG-CG 3.67Å
207R93.3Very high95.4Very high128 Ų12838.2 Ų38.248%0.48320%0.197SC..PPolyproline II helixtrans-83.5116.4164.9-59.9-176179-143.3-4.4108.4C175C175-R207 PolarHBondContact O-N 2.98Å
208T94.1Very high95.4Very high35 Ų3536 Ų3622%0.21519%0.185CC..Hα-helixtrans-80.5-34.9-169.454.40000113.2G210 F211 T212 A271 L274T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 2.88Å; T208-F211 WeakPolarHBondContact O-CB 3.19Å; T208-F211 PolarHBondContact O-N 3.25Å; T208-T212 PolarHBondContact O-N 3.05Å; T208-T212 PolarHBondContact O-OG1 3.07Å; T208-A271 HydrophobicContact CG2-CB 3.6Å; T208-L274 HydrophobicContact CG2-CD2 3.99Å
209K91.7Very high95.2Very high73 Ų7337.4 Ų37.432%0.31719%0.185SC..Hα-helixtrans-56.1-41.2-170.2-164.869.4-174.8178.90114.5W148 T212 T213 E267W148-K209 HydrophobicContact CD2-CG 3.96Å; W148-K209 VanDerWaalsContact CE2-CE 3.42Å; W148-K209 HydrophobicContact CE3-CG 3.84Å; W148-K209 HydrophobicContact CH2-CD 4.44Å; W148-K209 HydrophobicContact CH2-CG 4.07Å; W148-K209 HydrophobicContact CZ2-CD 4.25Å; W148-K209 HydrophobicContact CZ2-CG 4.2Å; W148-K209 HydrophobicContact CZ3-CG 3.89Å; K209-T212 PolarHBondContact O-OG1 3.19Å; K209-T213 WeakPolarHBondContact O-CB 3.4Å; K209-T213 PolarHBondContact O-N 2.82Å; K209-T213 PolarHBondContact O-OG1 3.4Å; K209-E267 VanDerWaalsContact CD-OE1 3.28Å; K209-E267 WeakPolarHBondContact CD-OE1 3.3Å; K209-E267 VanDerWaalsContact NZ-CD 3.34Å; K209-E267 IonicContact NZ-OE1 3.38Å; K209-E267 PolarHBondContact NZ-OE1 2.84Å; K209-E267 IonicContact NZ-OE2 2.93Å; K209-E267 PolarHBondContact NZ-OE2 3.46Å
210G92.1Very high95Very high29 Ų2935.7 Ų35.730%0.29920%0.2SC..Hα-helixtrans-65-41.9178.500000112.1T208 T214T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 2.88Å; G210-T214 VanDerWaalsContact O-CB 3.3Å; G210-T214 WeakPolarHBondContact O-CB 3.36Å; G210-T214 PolarHBondContact O-N 2.75Å; G210-T214 VanDerWaalsContact O-N 3.07Å; G210-T214 PolarHBondContact O-OG1 3.49Å
211F95.8Very high95Very high1 Ų136.4 Ų36.40%0.00421%0.205CC..Hα-helixtrans-67.7-52.7176.7173.6-110.6000112.1I91 I93 L173 T208 T213 T214 L215 V225 C270 W273 L274I91-F211 HydrophobicContact CG2-CD2 4.36Å; I91-F211 HydrophobicContact CG2-CE2 4.32Å; I93-F211 HydrophobicContact CD1-CD2 3.89Å; I93-F211 HydrophobicContact CD1-CE2 3.67Å; I93-F211 HydrophobicContact CD1-CZ 4.21Å; I93-F211 HydrophobicContact CG1-CD2 4.33Å; I93-F211 HydrophobicContact CG1-CE2 4.36Å; L173-F211 HydrophobicContact CD1-CB 4.22Å; L173-F211 HydrophobicContact CD1-CD2 3.98Å; T208-F211 WeakPolarHBondContact O-CB 3.19Å; T208-F211 PolarHBondContact O-N 3.25Å; F211-T213 VanDerWaalsContact C-N 3.31Å; F211-T213 PolarHBondContact O-N 2.82Å; F211-T214 PolarHBondContact O-N 2.72Å; F211-T214 VanDerWaalsContact O-N 3.13Å; F211-L215 HydrophobicContact CE1-CD2 4.38Å; F211-L215 HydrophobicContact CZ-CD2 4.08Å; F211-L215 WeakPolarHBondContact O-CB 3.41Å; F211-L215 PolarHBondContact O-N 3.41Å; F211-V225 HydrophobicContact CE2-CG1 4.3Å; F211-V225 HydrophobicContact CE2-CG2 4.04Å; F211-V225 HydrophobicContact CZ-CG2 4.25Å; F211-C270 VanDerWaalsContact CE1-SG 3.51Å; F211-W273 AromaticContact CE1-CE3 3.77Å; F211-W273 HydrophobicContact CE1-CE3 3.77Å; F211-W273 AromaticContact CE1-CZ3 3.66Å; F211-W273 HydrophobicContact CE1-CZ3 3.66Å; F211-W273 HydrophobicContact CE2-CZ3 4.35Å; F211-W273 AromaticContact CZ-CE3 3.96Å; F211-W273 HydrophobicContact CZ-CE3 3.96Å; F211-W273 HydrophobicContact CZ-CH2 4.27Å; F211-W273 AromaticContact CZ-CZ3 3.41Å; F211-W273 HydrophobicContact CZ-CZ3 3.41Å; F211-W273 VanDerWaalsContact CZ-CZ3 3.41Å; F211-L274 HydrophobicContact CB-CD2 3.91Å; F211-L274 HydrophobicContact CD1-CB 4.16Å; F211-L274 HydrophobicContact CD1-CD1 4.14Å; F211-L274 HydrophobicContact CD1-CD2 3.9Å; F211-L274 HydrophobicContact CD1-CG 4.3Å; F211-L274 HydrophobicContact CE1-CB 4.39Å; F211-L274 HydrophobicContact CE1-CD1 4.43Å; F211-L274 HydrophobicContact CG-CD1 4.34Å; F211-L274 HydrophobicContact CG-CD2 4.11Å
212T95.8Very high95Very high9 Ų931.1 Ų31.16%0.05518%0.182CC..Hα-helixtrans-60.5-41.5-178.258.60000111.7T208 K209 S216 E267 C270T208-T212 PolarHBondContact O-N 3.05Å; T208-T212 PolarHBondContact O-OG1 3.07Å; K209-T212 PolarHBondContact O-OG1 3.19Å; T212-S216 VanDerWaalsContact O-CB 3.24Å; T212-S216 WeakPolarHBondContact O-CB 3.31Å; T212-S216 PolarHBondContact O-N 2.92Å; T212-E267 HydrophobicContact CG2-CG 4.21Å; T212-C270 HydrophobicContact CG2-CB 3.98Å
213T94.3Very high95Very high6 Ų631.3 Ų31.34%0.03719%0.19CC..Hα-helixtrans-64-45175.4-56.30000111.6W148 V155 F156 L159 K209 F211 C217W148-T213 HydrophobicContact CH2-CG2 3.98Å; W148-T213 WeakPolarHBondContact CH2-OG1 3.35Å; W148-T213 HydrophobicContact CZ3-CG2 4.45Å; V155-T213 HydrophobicContact CG1-CG2 3.98Å; F156-T213 HydrophobicContact CD2-CG2 4.35Å; F156-T213 HydrophobicContact CE1-CG2 4.12Å; F156-T213 HydrophobicContact CE2-CG2 3.89Å; F156-T213 HydrophobicContact CZ-CG2 3.76Å; L159-T213 HydrophobicContact CD1-CG2 4.19Å; K209-T213 WeakPolarHBondContact O-CB 3.4Å; K209-T213 PolarHBondContact O-N 2.82Å; K209-T213 PolarHBondContact O-OG1 3.4Å; F211-T213 VanDerWaalsContact C-N 3.31Å; F211-T213 PolarHBondContact O-N 2.82Å; T213-C217 VanDerWaalsContact O-CB 3.29Å; T213-C217 WeakPolarHBondContact O-CB 3.47Å; T213-C217 PolarHBondContact O-N 3.28Å; T213-C217 PolarHBondContact O-SG 3.38Å
214T95.8Very high95.1Very high0 Ų031.3 Ų31.30%019%0.19CC..Hα-helixtrans-63.5-47.5179.8-57.80000111.4I91 L159 F171 L173 G210 F211 C217 L218I91-T214 HydrophobicContact CD1-CG2 3.76Å; I91-T214 HydrophobicContact CG1-CG2 4.07Å; L159-T214 HydrophobicContact CD2-CG2 4.1Å; F171-T214 HydrophobicContact CD1-CG2 3.74Å; F171-T214 HydrophobicContact CE1-CG2 3.65Å; F171-T214 HydrophobicContact CG-CG2 4.45Å; F171-T214 HydrophobicContact CZ-CG2 4.32Å; L173-T214 HydrophobicContact CD1-CG2 4.31Å; G210-T214 VanDerWaalsContact O-CB 3.3Å; G210-T214 WeakPolarHBondContact O-CB 3.36Å; G210-T214 PolarHBondContact O-N 2.75Å; G210-T214 VanDerWaalsContact O-N 3.07Å; G210-T214 PolarHBondContact O-OG1 3.49Å; F211-T214 PolarHBondContact O-N 2.72Å; F211-T214 VanDerWaalsContact O-N 3.13Å; T214-C217 PolarHBondContact O-N 2.96Å; T214-L218 HydrophobicContact CG2-CD1 3.81Å; T214-L218 HydrophobicContact CG2-CG 4.47Å; T214-L218 WeakPolarHBondContact O-CB 3.18Å; T214-L218 WeakPolarHBondContact O-CG 3.28Å; T214-L218 PolarHBondContact O-N 3.08Å
215L96Very high95.2Very high13 Ų1331.3 Ų31.37%0.06819%0.19CC..Hα-helixtrans-61-47.5178.5-174.267.4000111.4I91 F211 L218 K219 V225 V260 I263I91-L215 HydrophobicContact CD1-CB 4.11Å; I91-L215 HydrophobicContact CD1-CD1 3.91Å; F211-L215 HydrophobicContact CE1-CD2 4.38Å; F211-L215 HydrophobicContact CZ-CD2 4.08Å; F211-L215 WeakPolarHBondContact O-CB 3.41Å; F211-L215 PolarHBondContact O-N 3.41Å; L215-L218 PolarHBondContact O-N 2.95Å; L215-K219 PolarHBondContact O-N 3.37Å; L215-V225 HydrophobicContact CD1-CG2 4.25Å; L215-V260 HydrophobicContact CD1-CG1 4.03Å; L215-V260 HydrophobicContact CD1-CG2 4Å; L215-I263 HydrophobicContact CD2-CB 4.21Å; L215-I263 HydrophobicContact CD2-CG2 3.58Å
216S94.4Very high95.3Very high81 Ų8130.8 Ų30.857%0.56619%0.187SC*.Hα-helixtrans-61.4-45.6177.3178.40000112.1T212 K219T212-S216 VanDerWaalsContact O-CB 3.24Å; T212-S216 WeakPolarHBondContact O-CB 3.31Å; T212-S216 PolarHBondContact O-N 2.92Å; S216-K219 WeakPolarHBondContact O-CB 3.49Å
217C95.2Very high95.4Very high12 Ų1230.6 Ų30.68%0.08119%0.186CC..Hα-helixtrans-68.3-38.5-179.1-70.30000112.7F156 L159 K163 T213 T214F156-C217 WeakPolarHBondContact CD1-SG 2.96Å; F156-C217 VanDerWaalsContact CE1-SG 3.55Å; L159-C217 HydrophobicContact CB-CB 3.61Å; L159-C217 HydrophobicContact CD1-CB 3.89Å; L159-C217 HydrophobicContact CG-CB 4.39Å; K163-C217 WeakPolarHBondContact CE-O 3.35Å; K163-C217 PolarHBondContact NZ-O 3.19Å; T213-C217 VanDerWaalsContact O-CB 3.29Å; T213-C217 WeakPolarHBondContact O-CB 3.47Å; T213-C217 PolarHBondContact O-N 3.28Å; T213-C217 PolarHBondContact O-SG 3.38Å; T214-C217 PolarHBondContact O-N 2.96Å
218L95.6Very high95.6Very high0 Ų025.1 Ų25.10%017%0.166CC..Hα-helixtrans-93.85.5-176.8-62.2179.5000113.2L159 L162 M169 F171 T214 L215 G220 T221 V222L159-L218 HydrophobicContact CD2-CD1 4.3Å; L159-L218 HydrophobicContact CD2-CG 4.43Å; L159-L218 VanDerWaalsContact O-CD2 3.3Å; L159-L218 WeakPolarHBondContact O-CD2 3.42Å; L162-L218 HydrophobicContact CB-CD2 4.15Å; M169-L218 HydrophobicContact CE-CD1 3.77Å; M169-L218 HydrophobicContact CE-CD2 4.31Å; F171-L218 HydrophobicContact CD2-CD1 4.31Å; F171-L218 HydrophobicContact CG-CD1 4.39Å; T214-L218 HydrophobicContact CG2-CD1 3.81Å; T214-L218 HydrophobicContact CG2-CG 4.47Å; T214-L218 WeakPolarHBondContact O-CB 3.18Å; T214-L218 WeakPolarHBondContact O-CG 3.28Å; T214-L218 PolarHBondContact O-N 3.08Å; L215-L218 PolarHBondContact O-N 2.95Å; L218-G220 PolarHBondContact O-N 2.88Å; L218-T221 WeakPolarHBondContact O-CA 3.48Å; L218-T221 WeakPolarHBondContact O-CB 3.37Å; L218-T221 PolarHBondContact O-N 3.22Å; L218-V222 HydrophobicContact CB-CG1 3.94Å; L218-V222 HydrophobicContact CB-CG2 3.91Å; L218-V222 HydrophobicContact CD1-CG1 4.14Å; L218-V222 WeakPolarHBondContact O-CG2 3.45Å; L218-V222 PolarHBondContact O-N 3.09Å
219K91.4Very high95.8Very high93 Ų9323.4 Ų23.440%0.40416%0.156SC..BIsolated β-bridgetrans-55133.8174.7-165.4-175.6-176.4-162.30110.5L215 S216 T221 E265L215-K219 PolarHBondContact O-N 3.37Å; S216-K219 WeakPolarHBondContact O-CB 3.49Å; K219-T221 PolarHBondContact O-N 3.24Å; K219-E265 WeakPolarHBondContact CE-OE1 3.26Å; K219-E265 IonicContact NZ-OE1 2.62Å; K219-E265 PolarHBondContact NZ-OE1 2.73Å; K219-E265 IonicContact NZ-OE2 2.7Å; K219-E265 PolarHBondContact NZ-OE2 3.47Å
220G92.3Very high96.1Very high81 Ų8120 Ų2084%0.83514%0.141SC*.THydrogen-bonded Turntrans84.8-12.8-173.600000114.4L218L218-G220 PolarHBondContact O-N 2.88Å
221T96.1Very high96.3Very high23 Ų2318.7 Ų18.714%0.14113%0.127CC..THydrogen-bonded Turntrans-104-50.8171.2-57.10000111H89 K163 L218 K219H89-T221 HydrophobicContact CB-CG2 4.41Å; H89-T221 WeakPolarHBondContact CB-O 3.06Å; K163-T221 WeakPolarHBondContact CA-OG1 3.43Å; K163-T221 WeakPolarHBondContact O-CG2 3.38Å; K163-T221 PolarHBondContact O-OG1 3.41Å; K163-T221 VanDerWaalsContact O-OG1 3.05Å; L218-T221 WeakPolarHBondContact O-CA 3.48Å; L218-T221 WeakPolarHBondContact O-CB 3.37Å; L218-T221 PolarHBondContact O-N 3.22Å; K219-T221 PolarHBondContact O-N 3.24Å
222V97.4Very high96.3Very high5 Ų518.7 Ų18.73%0.0313%0.127CC..BIsolated β-bridgetrans-81.1137.2177.2-65.70000111.2H89 I91 L218 V260H89-V222 HydrophobicContact CB-CG1 4.02Å; H89-V222 CarbonylContact O-C 3.6Å; H89-V222 WeakPolarHBondContact O-CA 3.34Å; I91-V222 HydrophobicContact CD1-CG2 4.13Å; I91-V222 HydrophobicContact CG1-CG1 4.21Å; I91-V222 HydrophobicContact CG1-CG2 4.33Å; L218-V222 HydrophobicContact CB-CG1 3.94Å; L218-V222 HydrophobicContact CB-CG2 3.91Å; L218-V222 HydrophobicContact CD1-CG1 4.14Å; L218-V222 WeakPolarHBondContact O-CG2 3.45Å; L218-V222 PolarHBondContact O-N 3.09Å; V222-V260 HydrophobicContact CG2-CG2 4.06Å
223S97.9Very high96.2Very high47 Ų4721.5 Ų21.533%0.32914%0.137SC..  trans-101-20.6-178-50.50000113E88 H89 V260E88-S223 WeakPolarHBondContact OE2-CB 3.36Å; H89-S223 PolarHBondContact O-N 3.21Å; S223-V260 PolarHBondContact O-N 3.39Å
224A98.3Very high95.9Very high0 Ų026.7 Ų26.70%016%0.164CC..EExtended strand (participates in β ladder)trans-153.3161.1-179.600000113.4V90 I91 Y226 R257 Y258V90-A224 VanDerWaalsContact CA-O 3.24Å; V90-A224 WeakPolarHBondContact CA-O 3.41Å; V90-A224 WeakPolarHBondContact CB-O 3.49Å; V90-A224 HydrophobicContact CG1-CB 4.13Å; I91-A224 PolarHBondContact N-O 3.28Å; I91-A224 VanDerWaalsContact N-O 3.1Å; A224-Y226 HydrophobicContact CB-CD1 4.22Å; A224-Y226 HydrophobicContact CB-CE1 3.92Å; A224-R257 HydrophobicContact CB-CG 3.9Å; A224-Y258 CarbonylContact C-O 3.58Å; A224-Y258 VanDerWaalsContact CA-O 3.24Å; A224-Y258 WeakPolarHBondContact CA-O 3.24Å; A224-Y258 WeakPolarHBondContact CB-O 3.15Å
225V98.6Very high95.4Very high0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-103.1126.1160.9179.20000108.6I91 I93 F211 L215 Y258 I263 W273I91-V225 HydrophobicContact CB-CG2 4.24Å; I91-V225 CarbonylContact O-C 3.58Å; I91-V225 VanDerWaalsContact O-CA 3.26Å; I91-V225 WeakPolarHBondContact O-CA 3.14Å; I93-V225 HydrophobicContact CD1-CG1 3.62Å; I93-V225 HydrophobicContact CG1-CG1 3.94Å; F211-V225 HydrophobicContact CE2-CG1 4.3Å; F211-V225 HydrophobicContact CE2-CG2 4.04Å; F211-V225 HydrophobicContact CZ-CG2 4.25Å; L215-V225 HydrophobicContact CD1-CG2 4.25Å; V225-Y258 PolarHBondContact N-O 2.84Å; V225-Y258 PolarHBondContact O-N 3.49Å; V225-I263 HydrophobicContact CB-CD1 3.8Å; V225-I263 HydrophobicContact CG2-CD1 3.27Å; V225-W273 HydrophobicContact CG1-CH2 4.21Å
226Y98.6Very high95.1Very high3 Ų336.8 Ų36.81%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-97.1112.3170.4-68.1-3.9000109.1F85 E88 V90 I91 I92 I93 W170 A224 K256 R257F85-Y226 HydrophobicContact CD1-CD2 4.22Å; F85-Y226 AromaticContact CD1-CE2 3.37Å; F85-Y226 HydrophobicContact CD1-CE2 3.37Å; F85-Y226 AromaticContact CD1-CZ 3.68Å; F85-Y226 AromaticContact CE1-CD2 3.92Å; F85-Y226 HydrophobicContact CE1-CD2 3.92Å; F85-Y226 AromaticContact CE1-CE2 3.5Å; F85-Y226 HydrophobicContact CE1-CE2 3.5Å; F85-Y226 VanDerWaalsContact CE1-CE2 3.5Å; F85-Y226 AromaticContact CE1-CZ 3.86Å; E88-Y226 VanDerWaalsContact OE1-CE1 3.29Å; E88-Y226 WeakPolarHBondContact OE1-CE1 3.47Å; E88-Y226 VanDerWaalsContact OE1-CZ 3.3Å; E88-Y226 PolarHBondContact OE1-OH 2.67Å; V90-Y226 HydrophobicContact CB-CD1 4.42Å; V90-Y226 HydrophobicContact CB-CD2 4.36Å; V90-Y226 HydrophobicContact CB-CE1 4.42Å; V90-Y226 HydrophobicContact CB-CE2 4.39Å; V90-Y226 HydrophobicContact CB-CG 4.38Å; V90-Y226 HydrophobicContact CG1-CD1 4.19Å; V90-Y226 HydrophobicContact CG1-CD2 4.42Å; V90-Y226 HydrophobicContact CG1-CE1 3.73Å; V90-Y226 HydrophobicContact CG1-CE2 4Å; V90-Y226 HydrophobicContact CG2-CD2 3.82Å; V90-Y226 HydrophobicContact CG2-CE2 3.91Å; V90-Y226 HydrophobicContact CG2-CG 4.26Å; I91-Y226 PolarHBondContact O-N 3.25Å; I92-Y226 WeakPolarHBondContact CA-O 3.34Å; I93-Y226 PolarHBondContact N-O 2.73Å; W170-Y226 HydrophobicContact CH2-CE2 4.26Å; W170-Y226 HydrophobicContact CZ2-CD2 4.38Å; W170-Y226 AromaticContact CZ2-CE2 3.74Å; W170-Y226 HydrophobicContact CZ2-CE2 3.74Å; A224-Y226 HydrophobicContact CB-CD1 4.22Å; A224-Y226 HydrophobicContact CB-CE1 3.92Å; Y226-K256 CarbonylContact C-O 3.25Å; Y226-K256 WeakPolarHBondContact CA-O 3.47Å; Y226-R257 HydrophobicContact CD1-CB 4.04Å; Y226-R257 HydrophobicContact CD1-CG 3.97Å; Y226-R257 HydrophobicContact CE1-CB 4.02Å; Y226-R257 HydrophobicContact CE1-CG 3.64Å
227D98.4Very high94.9Very high4 Ų437.9 Ų37.92%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-85.3115.3173-169.554.1000109.9I255 K256 Y258 L277 K281D227-I255 WeakPolarHBondContact O-CA 3.49Å; D227-K256 HydrophobicContact CB-CB 4.4Å; D227-K256 PolarHBondContact N-O 3.36Å; D227-K256 PolarHBondContact O-N 2.88Å; D227-Y258 HydrophobicContact CB-CD2 4.14Å; D227-Y258 HydrophobicContact CB-CE2 3.69Å; D227-L277 HydrophobicContact CB-CD1 4.08Å; D227-L277 HydrophobicContact CB-CD2 4.34Å; D227-L277 VanDerWaalsContact OD1-CD2 3.25Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.46Å; D227-K281 WeakPolarHBondContact OD1-CE 3.35Å; D227-K281 IonicContact OD1-NZ 3.78Å; D227-K281 PolarHBondContact OD1-NZ 2.8Å; D227-K281 WeakPolarHBondContact OD2-CE 3.18Å; D227-K281 IonicContact OD2-NZ 2.86Å; D227-K281 PolarHBondContact OD2-NZ 2.85Å
228V98.3Very high94.8Very high12 Ų1237.3 Ų37.37%0.07321%0.207CC..EExtended strand (participates in β ladder)trans-117.4128-175.9-172.60000110.7I92 I93 L94 M253 N254 I255 K281I92-V228 HydrophobicContact CG2-CB 4.46Å; I92-V228 HydrophobicContact CG2-CG2 3.75Å; I93-V228 PolarHBondContact O-N 2.97Å; L94-V228 HydrophobicContact CD1-CB 3.76Å; L94-V228 HydrophobicContact CD1-CG1 3.51Å; V228-M253 HydrophobicContact CG1-CB 4.26Å; V228-M253 HydrophobicContact CG1-CG 4.36Å; V228-N254 CarbonylContact C-O 3.5Å; V228-N254 VanDerWaalsContact CA-O 3.28Å; V228-N254 WeakPolarHBondContact CA-O 3.46Å; V228-I255 HydrophobicContact CG1-CG1 4.17Å; V228-I255 HydrophobicContact CG2-CG1 4.12Å; V228-I255 HydrophobicContact CG2-CG2 4.15Å; V228-K281 VanDerWaalsContact C-NZ 3.26Å; V228-K281 PolarHBondContact O-NZ 2.82Å
229T98.1Very high94.6Very high0 Ų039.7 Ų39.70%022%0.221CC..EExtended strand (participates in β ladder)trans-117.1115.1169.6-57.30000108.9N95 M253 N254 K281 L284 F294N95-T229 WeakPolarHBondContact OD1-CA 3.46Å; T229-M253 WeakPolarHBondContact O-CA 3.34Å; T229-N254 PolarHBondContact N-O 2.95Å; T229-N254 PolarHBondContact O-N 2.95Å; T229-K281 PolarHBondContact OG1-NZ 3.41Å; T229-L284 HydrophobicContact CG2-CD2 4.34Å; T229-F294 HydrophobicContact CG2-CE1 4.02Å; T229-F294 HydrophobicContact CG2-CZ 3.85Å; T229-F294 WeakPolarHBondContact O-CE2 2.91Å; T229-F294 WeakPolarHBondContact O-CZ 3.41Å
230L97.6Very high94.6Very high0 Ų038.6 Ų38.60%022%0.219CC..EExtended strand (participates in β ladder)trans-101131.3179.9171.167.3000110.2L94 N95 D101 C104 F232 A251 D252 M253L94-L230 HydrophobicContact CD1-CB 3.86Å; N95-L230 PolarHBondContact ND2-O 3.34Å; N95-L230 PolarHBondContact OD1-N 2.81Å; D101-L230 HydrophobicContact CB-CD2 4.05Å; D101-L230 WeakPolarHBondContact OD1-CD2 3.3Å; C104-L230 HydrophobicContact CB-CD1 4.16Å; C104-L230 HydrophobicContact CB-CD2 4.01Å; L230-F232 HydrophobicContact CD1-CE2 4.02Å; L230-F232 HydrophobicContact CD1-CZ 4.21Å; L230-F232 HydrophobicContact CD2-CE2 3.98Å; L230-F232 HydrophobicContact CD2-CZ 4.36Å; L230-F232 HydrophobicContact CG-CE2 3.96Å; L230-A251 HydrophobicContact CD1-CB 3.93Å; L230-D252 WeakPolarHBondContact CA-O 3.45Å; L230-M253 HydrophobicContact CB-CG 4.25Å; L230-M253 HydrophobicContact CD1-CG 3.56Å; L230-M253 HydrophobicContact CD1-SD 4.33Å; L230-M253 HydrophobicContact CG-CG 4.48Å
231N97.1Very high94.4Very high2 Ų240.7 Ų40.71%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-140.9166.9168.9-157.5-16.7000110.3Y98 D252 Q285 Y288 F294Y98-N231 PolarHBondContact OH-OD1 3.47Å; N231-D252 PolarHBondContact N-O 3.35Å; N231-D252 PolarHBondContact O-N 3.28Å; N231-Q285 PolarHBondContact ND2-NE2 2.91Å; N231-Q285 PolarHBondContact ND2-OE1 3.08Å; N231-Y288 HydrophobicContact CB-CD1 3.98Å; N231-Y288 HydrophobicContact CB-CD2 4.35Å; N231-Y288 HydrophobicContact CB-CE1 3.76Å; N231-Y288 HydrophobicContact CB-CE2 4.18Å; N231-Y288 HydrophobicContact CB-CG 4.25Å; N231-Y288 VanDerWaalsContact CG-CE1 3.42Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.44Å; N231-Y288 VanDerWaalsContact ND2-CE1 3.32Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.43Å; N231-F294 HydrophobicContact CB-CE2 4.19Å; N231-F294 HydrophobicContact CB-CZ 3.83Å
232F95.8Very high94.2Very high1 Ų139.9 Ų39.90%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-121.2132.4178.8-70.7-93.5000110.4Y98 I100 C104 L230 K236 P238 M250 A251Y98-F232 HydrophobicContact CD1-CD2 4.32Å; Y98-F232 AromaticContact CD2-CD2 3.6Å; Y98-F232 HydrophobicContact CD2-CD2 3.6Å; Y98-F232 AromaticContact CD2-CE2 3.55Å; Y98-F232 HydrophobicContact CD2-CE2 3.55Å; Y98-F232 HydrophobicContact CE1-CD2 4.32Å; Y98-F232 AromaticContact CE2-CD2 3.65Å; Y98-F232 HydrophobicContact CE2-CD2 3.65Å; Y98-F232 HydrophobicContact CE2-CE2 4.04Å; Y98-F232 AromaticContact CG-CD2 3.96Å; Y98-F232 HydrophobicContact CG-CD2 3.96Å; Y98-F232 AromaticContact CG-CE2 3.89Å; Y98-F232 HydrophobicContact CG-CE2 3.89Å; I100-F232 HydrophobicContact CD1-CE1 3.94Å; I100-F232 HydrophobicContact CD1-CZ 3.79Å; I100-F232 HydrophobicContact CG1-CE1 4.49Å; I100-F232 HydrophobicContact CG1-CZ 3.87Å; C104-F232 VanDerWaalsContact SG-CZ 3.58Å; L230-F232 HydrophobicContact CD1-CE2 4.02Å; L230-F232 HydrophobicContact CD1-CZ 4.21Å; L230-F232 HydrophobicContact CD2-CE2 3.98Å; L230-F232 HydrophobicContact CD2-CZ 4.36Å; L230-F232 HydrophobicContact CG-CE2 3.96Å; F232-K236 WeakPolarHBondContact CB-O 3.49Å; F232-P238 HydrophobicContact CD1-CB 4.41Å; F232-P238 HydrophobicContact CD1-CG 4.02Å; F232-P238 HydrophobicContact CD2-CG 3.72Å; F232-P238 HydrophobicContact CE1-CB 4.14Å; F232-P238 HydrophobicContact CE1-CG 3.79Å; F232-P238 HydrophobicContact CE2-CG 3.52Å; F232-P238 HydrophobicContact CG-CG 3.97Å; F232-P238 HydrophobicContact CZ-CB 4.29Å; F232-P238 HydrophobicContact CZ-CG 3.56Å; F232-M250 WeakPolarHBondContact CA-O 3.46Å; F232-A251 HydrophobicContact CD1-CB 4.03Å; F232-A251 HydrophobicContact CE1-CB 3.58Å; F232-A251 HydrophobicContact CZ-CB 4Å
233R93.4Very high94.1Very high69 Ų6939.7 Ų39.726%0.2620%0.202SC..G310 helixtrans-61.1158.6177.5-59.8-176.2-169.7-168.70.7111.7K235 K236 M250 D252 Y288R233-K235 PolarHBondContact O-N 3.27Å; R233-K236 PolarHBondContact O-N 3.27Å; R233-M250 HydrophobicContact CB-CB 4.12Å; R233-M250 HydrophobicContact CG-CB 4.13Å; R233-M250 PolarHBondContact N-O 2.97Å; R233-D252 VanDerWaalsContact CG-OD2 3.28Å; R233-D252 WeakPolarHBondContact CG-OD2 3.45Å; R233-D252 IonicContact CZ-OD1 3.38Å; R233-D252 IonicContact CZ-OD2 3.62Å; R233-D252 VanDerWaalsContact NE-CG 3.35Å; R233-D252 IonicContact NE-OD1 3.05Å; R233-D252 PolarHBondContact NE-OD1 3.07Å; R233-D252 IonicContact NE-OD2 2.85Å; R233-D252 PolarHBondContact NE-OD2 3.29Å; R233-D252 IonicContact NH2-OD1 2.85Å; R233-D252 PolarHBondContact NH2-OD1 3.07Å; R233-D252 IonicContact NH2-OD2 3.54Å; R233-Y288 WeakPolarHBondContact CG-OH 3.25Å; R233-Y288 PolarHBondContact N-OH 2.9Å
234D88.3Confident93.8Very high114 Ų11439.1 Ų39.161%0.6120%0.197SC*.G310 helixtrans59.521.3-179.6-39.5-39.9000114K236D234-K236 HydrophobicContact CB-CD 4.3Å; D234-K236 HydrophobicContact CB-CG 4.25Å; D234-K236 PolarHBondContact O-N 3.47Å; D234-K236 IonicContact OD2-NZ 2.78Å; D234-K236 PolarHBondContact OD2-NZ 2.79Å
235K85Confident93.4Very high147 Ų14740.5 Ų40.564%0.63921%0.206SC*.G310 helixtrans54.228.6-178.3-54.8-172.5179.2-157.60113R233 E289R233-K235 PolarHBondContact O-N 3.27Å; K235-E289 VanDerWaalsContact CE-OE2 3.27Å; K235-E289 WeakPolarHBondContact CE-OE2 3.41Å; K235-E289 IonicContact NZ-OE2 2.91Å; K235-E289 PolarHBondContact NZ-OE2 2.86Å
236K89Confident93.2Very high79 Ų7941.5 Ų41.534%0.34322%0.216SC..  trans-72.4133.2178.5-77.9170.6-179.5146.20109.5F232 R233 D234 P238 Y249F232-K236 WeakPolarHBondContact CB-O 3.49Å; R233-K236 PolarHBondContact O-N 3.27Å; D234-K236 HydrophobicContact CB-CD 4.3Å; D234-K236 HydrophobicContact CB-CG 4.25Å; D234-K236 PolarHBondContact O-N 3.47Å; D234-K236 IonicContact OD2-NZ 2.78Å; D234-K236 PolarHBondContact OD2-NZ 2.79Å; K236-P238 WeakPolarHBondContact O-CD 3.14Å; K236-Y249 HydrophobicContact CB-CD1 4.08Å; K236-Y249 HydrophobicContact CB-CE1 4.26Å; K236-Y249 HydrophobicContact CD-CD1 4.37Å
237V91.6Very high93Very high103 Ų10346.4 Ų46.462%0.62424%0.238SC*.  trans-91.9107.1168.8-176.10000108Y98Y98-V237 HydrophobicContact CD1-CG1 4.43Å
238P92.8Very high92.8Very high1 Ų150.8 Ų50.81%0.00626%0.257CS..  trans-77.9145.7178.634.7-38.7000111.9Y98 I100 F232 K236 Y249Y98-P238 HydrophobicContact CD1-CG 4.2Å; Y98-P238 HydrophobicContact CG-CG 4.09Å; I100-P238 HydrophobicContact CD1-CB 3.44Å; I100-P238 VanDerWaalsContact CD1-CB 3.44Å; I100-P238 HydrophobicContact CD1-CG 3.86Å; I100-P238 HydrophobicContact CG1-CB 3.63Å; I100-P238 HydrophobicContact CG1-CG 3.58Å; F232-P238 HydrophobicContact CD1-CB 4.41Å; F232-P238 HydrophobicContact CD1-CG 4.02Å; F232-P238 HydrophobicContact CD2-CG 3.72Å; F232-P238 HydrophobicContact CE1-CB 4.14Å; F232-P238 HydrophobicContact CE1-CG 3.79Å; F232-P238 HydrophobicContact CE2-CG 3.52Å; F232-P238 HydrophobicContact CG-CG 3.97Å; F232-P238 HydrophobicContact CZ-CB 4.29Å; F232-P238 HydrophobicContact CZ-CG 3.56Å; K236-P238 WeakPolarHBondContact O-CD 3.14Å; P238-Y249 VanDerWaalsContact CA-CE1 3.43Å; P238-Y249 HydrophobicContact CB-CD1 3.74Å; P238-Y249 HydrophobicContact CB-CD2 4.13Å; P238-Y249 HydrophobicContact CB-CE1 3.68Å; P238-Y249 HydrophobicContact CB-CE2 4.09Å; P238-Y249 HydrophobicContact CB-CG 3.94Å
239T91.6Very high92.7Very high50 Ų5050.4 Ų50.431%0.30725%0.254SS..  trans-131.4153.5177.263.50000109.8E99 H241 G242 I243E99-T239 WeakPolarHBondContact OE2-CA 3.34Å; E99-T239 VanDerWaalsContact OE2-CB 3.29Å; E99-T239 WeakPolarHBondContact OE2-CB 3.37Å; T239-H241 VanDerWaalsContact C-N 3.27Å; T239-H241 PolarHBondContact O-N 3.41Å; T239-G242 WeakPolarHBondContact O-CA 3.43Å; T239-G242 PolarHBondContact O-N 3.43Å; T239-G242 PolarHBondContact OG1-N 2.63Å; T239-I243 PolarHBondContact O-N 3.22Å; T239-I243 VanDerWaalsContact O-N 3.16Å
240L89.6Confident92.7Very high69 Ų6953 Ų5336%0.36127%0.267SS..Hα-helixtrans-62.4-39.6177.3-174.462.8000110.9E99 I100 G242 I243 V244E99-L240 WeakPolarHBondContact OE1-CB 3.29Å; E99-L240 PolarHBondContact OE2-N 2.8Å; E99-L240 VanDerWaalsContact OE2-N 3.08Å; I100-L240 HydrophobicContact CG2-CB 4.47Å; L240-G242 VanDerWaalsContact C-N 3.27Å; L240-G242 PolarHBondContact O-N 2.95Å; L240-I243 WeakPolarHBondContact O-CB 3.41Å; L240-I243 PolarHBondContact O-N 3.28Å; L240-I243 VanDerWaalsContact O-N 3.14Å; L240-V244 WeakPolarHBondContact O-CG2 3.23Å; L240-V244 PolarHBondContact O-N 3.28Å
241H88.9Confident92.6Very high126 Ų12653 Ų5358%0.58327%0.267SS*.Hα-helixtrans-58.3-38.9172.7178.2-88.7000112.3T239 V244 S245T239-H241 VanDerWaalsContact C-N 3.27Å; T239-H241 PolarHBondContact O-N 3.41Å; H241-V244 PolarHBondContact O-N 3Å; H241-S245 PolarHBondContact CE1-OG 3.18Å; H241-S245 VanDerWaalsContact CE1-OG 3.26Å; H241-S245 VanDerWaalsContact O-CB 3.3Å; H241-S245 WeakPolarHBondContact O-CB 3.45Å; H241-S245 PolarHBondContact O-N 2.83Å; H241-S245 PolarHBondContact O-OG 2.84Å
242G92.4Very high92.6Very high5 Ų552.9 Ų52.95%0.05227%0.266CS..Hα-helixtrans-58.6-4717400000111.9T239 L240 S245 G246 K247T239-G242 WeakPolarHBondContact O-CA 3.43Å; T239-G242 PolarHBondContact O-N 3.43Å; T239-G242 PolarHBondContact OG1-N 2.63Å; L240-G242 VanDerWaalsContact C-N 3.27Å; L240-G242 PolarHBondContact O-N 2.95Å; G242-S245 CarbonylContact O-C 3.55Å; G242-S245 PolarHBondContact O-N 3.41Å; G242-G246 PolarHBondContact O-N 3.3Å; G242-K247 WeakPolarHBondContact O-CB 3.44Å; G242-K247 PolarHBondContact O-N 3.13Å
243I95Very high92.7Very high1 Ų153 Ų531%0.00527%0.267CS..Hα-helixtrans-60.3-50176.6-60.5-54.5000111.3L64 L65 S69 I100 T239 L240 S245 G246 Y249L64-I243 HydrophobicContact CB-CG2 4.2Å; L64-I243 WeakPolarHBondContact O-CG2 3.5Å; L65-I243 HydrophobicContact CD1-CD1 3.56Å; L65-I243 HydrophobicContact CD1-CG1 4.08Å; S69-I243 WeakPolarHBondContact OG-CD1 3.4Å; I100-I243 HydrophobicContact CD1-CD1 4.18Å; I100-I243 HydrophobicContact CD1-CG1 4.29Å; I100-I243 HydrophobicContact CG2-CG1 4.34Å; T239-I243 PolarHBondContact O-N 3.22Å; T239-I243 VanDerWaalsContact O-N 3.16Å; L240-I243 WeakPolarHBondContact O-CB 3.41Å; L240-I243 PolarHBondContact O-N 3.28Å; L240-I243 VanDerWaalsContact O-N 3.14Å; I243-S245 PolarHBondContact O-N 2.9Å; I243-G246 WeakPolarHBondContact O-CA 3.32Å; I243-G246 PolarHBondContact O-N 3.44Å; I243-Y249 HydrophobicContact CD1-CD2 3.51Å; I243-Y249 HydrophobicContact CD1-CE2 3.73Å; I243-Y249 HydrophobicContact CG1-CE2 4.49Å
244V91.6Very high93Very high36 Ų3650 Ų5022%0.21826%0.256CS..Hα-helixtrans-61-33.8178.9172.70000111.8Q14 W68 L240 H241 G246Q14-V244 HydrophobicContact CB-CG1 3.88Å; Q14-V244 HydrophobicContact CG-CG1 3.59Å; W68-V244 PolarHBondContact NE1-O 2.89Å; L240-V244 WeakPolarHBondContact O-CG2 3.23Å; L240-V244 PolarHBondContact O-N 3.28Å; H241-V244 PolarHBondContact O-N 3Å; V244-G246 PolarHBondContact O-N 3.1Å
245S90.8Very high93.5Very high28 Ų2844.9 Ų44.920%0.19623%0.229CC..THydrogen-bonded Turntrans-78.72.7174.6-57.70000113.9Q14 H241 G242 I243Q14-S245 PolarHBondContact NE2-OG 3.03Å; H241-S245 PolarHBondContact CE1-OG 3.18Å; H241-S245 VanDerWaalsContact CE1-OG 3.26Å; H241-S245 VanDerWaalsContact O-CB 3.3Å; H241-S245 WeakPolarHBondContact O-CB 3.45Å; H241-S245 PolarHBondContact O-N 2.83Å; H241-S245 PolarHBondContact O-OG 2.84Å; G242-S245 CarbonylContact O-C 3.55Å; G242-S245 PolarHBondContact O-N 3.41Å; I243-S245 PolarHBondContact O-N 2.9Å
246G93.6Very high94.1Very high21 Ų2141.8 Ų41.822%0.21622%0.215CC..THydrogen-bonded Turntrans8016.1178.700000114.9G242 I243 V244 K248G242-G246 PolarHBondContact O-N 3.3Å; I243-G246 WeakPolarHBondContact O-CA 3.32Å; I243-G246 PolarHBondContact O-N 3.44Å; V244-G246 PolarHBondContact O-N 3.1Å; G246-K248 PolarHBondContact O-N 3.34Å
247K94Very high94.5Very high106 Ų10641 Ų4146%0.46121%0.21SC..  trans-73.8120.4178.5-174.9168.9170.6-178.30110.5S69 G242 Y249S69-K247 WeakPolarHBondContact CB-O 3.41Å; G242-K247 WeakPolarHBondContact O-CB 3.44Å; G242-K247 PolarHBondContact O-N 3.13Å; K247-Y249 HydrophobicContact CB-CE2 4.02Å; K247-Y249 HydrophobicContact CD-CE1 4.25Å; K247-Y249 HydrophobicContact CD-CE2 4.29Å; K247-Y249 WeakPolarHBondContact CD-OH 3.21Å; K247-Y249 HydrophobicContact CG-CE1 4.4Å; K247-Y249 HydrophobicContact CG-CE2 3.92Å; K247-Y249 VanDerWaalsContact O-CD2 3.22Å; K247-Y249 WeakPolarHBondContact O-CD2 3.33Å; K247-Y249 VanDerWaalsContact O-CE2 3.31Å; K247-Y249 WeakPolarHBondContact O-CE2 3.24Å
248K95.3Very high94.8Very high97 Ų9738 Ų3842%0.42219%0.187SC..  trans-73.9136.4175.5-179.6171.7-178.2179.60111.4S69 G70 E72 G246S69-K248 VanDerWaalsContact O-CA 3.24Å; S69-K248 WeakPolarHBondContact O-CA 3.36Å; S69-K248 WeakPolarHBondContact O-CB 3.44Å; S69-K248 PolarHBondContact O-N 2.92Å; G70-K248 WeakPolarHBondContact O-CD 3.31Å; G70-K248 VanDerWaalsContact O-CE 3.25Å; G70-K248 WeakPolarHBondContact O-CE 3.44Å; G70-K248 WeakPolarHBondContact O-CG 3.4Å; E72-K248 WeakPolarHBondContact OE1-CE 3.37Å; E72-K248 IonicContact OE1-NZ 2.68Å; E72-K248 PolarHBondContact OE1-NZ 3.14Å; G246-K248 PolarHBondContact O-N 3.34Å
249Y96.1Very high95.1Very high3 Ų339.1 Ų39.11%0.01220%0.195CC..  trans-122.7165.3168.2-60.4-87.4000110.7T71 E72 K236 P238 I243 K247T71-Y249 WeakPolarHBondContact CA-O 3.21Å; T71-Y249 WeakPolarHBondContact CG2-O 3.27Å; T71-Y249 PolarHBondContact OG1-N 2.89Å; E72-Y249 PolarHBondContact N-O 3.45Å; K236-Y249 HydrophobicContact CB-CD1 4.08Å; K236-Y249 HydrophobicContact CB-CE1 4.26Å; K236-Y249 HydrophobicContact CD-CD1 4.37Å; P238-Y249 VanDerWaalsContact CA-CE1 3.43Å; P238-Y249 HydrophobicContact CB-CD1 3.74Å; P238-Y249 HydrophobicContact CB-CD2 4.13Å; P238-Y249 HydrophobicContact CB-CE1 3.68Å; P238-Y249 HydrophobicContact CB-CE2 4.09Å; P238-Y249 HydrophobicContact CB-CG 3.94Å; I243-Y249 HydrophobicContact CD1-CD2 3.51Å; I243-Y249 HydrophobicContact CD1-CE2 3.73Å; I243-Y249 HydrophobicContact CG1-CE2 4.49Å; K247-Y249 HydrophobicContact CB-CE2 4.02Å; K247-Y249 HydrophobicContact CD-CE1 4.25Å; K247-Y249 HydrophobicContact CD-CE2 4.29Å; K247-Y249 WeakPolarHBondContact CD-OH 3.21Å; K247-Y249 HydrophobicContact CG-CE1 4.4Å; K247-Y249 HydrophobicContact CG-CE2 3.92Å; K247-Y249 VanDerWaalsContact O-CD2 3.22Å; K247-Y249 WeakPolarHBondContact O-CD2 3.33Å; K247-Y249 VanDerWaalsContact O-CE2 3.31Å; K247-Y249 WeakPolarHBondContact O-CE2 3.24Å
250M96.6Very high95.3Very high54 Ų5437.5 Ų37.527%0.26619%0.185SC..EExtended strand (participates in β ladder)trans-125.298.6174.5-61-179.298.400107.4F232 R233F232-M250 WeakPolarHBondContact CA-O 3.46Å; R233-M250 HydrophobicContact CB-CB 4.12Å; R233-M250 HydrophobicContact CG-CB 4.13Å; R233-M250 PolarHBondContact N-O 2.97Å
251A96.8Very high95.5Very high0 Ų041.5 Ų41.50%020%0.202CC..EExtended strand (participates in β ladder)trans-86131.1177.500000109.4E72 C73 T74 L230 F232E72-A251 PolarHBondContact O-N 3.41Å; C73-A251 CarbonylContact C-O 3.57Å; C73-A251 WeakPolarHBondContact CA-O 3.23Å; T74-A251 PolarHBondContact N-O 2.85Å; L230-A251 HydrophobicContact CD1-CB 3.93Å; F232-A251 HydrophobicContact CD1-CB 4.03Å; F232-A251 HydrophobicContact CE1-CB 3.58Å; F232-A251 HydrophobicContact CZ-CB 4Å
252D97.6Very high95.8Very high0 Ų041.7 Ų41.70%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1131.4170.2-70.3-25.6000108T74 F76 L230 N231 R233 Y288 F294T74-D252 VanDerWaalsContact CB-OD1 3.24Å; T74-D252 WeakPolarHBondContact CB-OD1 3.39Å; T74-D252 CarbonylContact O-C 3.49Å; T74-D252 WeakPolarHBondContact O-CA 3.45Å; T74-D252 PolarHBondContact OG1-OD1 2.85Å; F76-D252 HydrophobicContact CD2-CB 4.2Å; F76-D252 HydrophobicContact CE2-CB 3.52Å; F76-D252 VanDerWaalsContact CE2-CG 3.48Å; F76-D252 HydrophobicContact CZ-CB 4.33Å; L230-D252 WeakPolarHBondContact CA-O 3.45Å; N231-D252 PolarHBondContact N-O 3.35Å; N231-D252 PolarHBondContact O-N 3.28Å; R233-D252 VanDerWaalsContact CG-OD2 3.28Å; R233-D252 WeakPolarHBondContact CG-OD2 3.45Å; R233-D252 IonicContact CZ-OD1 3.38Å; R233-D252 IonicContact CZ-OD2 3.62Å; R233-D252 VanDerWaalsContact NE-CG 3.35Å; R233-D252 IonicContact NE-OD1 3.05Å; R233-D252 PolarHBondContact NE-OD1 3.07Å; R233-D252 IonicContact NE-OD2 2.85Å; R233-D252 PolarHBondContact NE-OD2 3.29Å; R233-D252 IonicContact NH2-OD1 2.85Å; R233-D252 PolarHBondContact NH2-OD1 3.07Å; R233-D252 IonicContact NH2-OD2 3.54Å; D252-Y288 HydrophobicContact CB-CE2 3.82Å; D252-Y288 PolarHBondContact OD2-OH 2.97Å; D252-F294 HydrophobicContact CB-CD2 3.94Å; D252-F294 HydrophobicContact CB-CE2 3.98Å; D252-F294 WeakPolarHBondContact O-CE2 3.5Å
253M97.9Very high96Very high3 Ų341.9 Ų41.92%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-124.9110178.8-73.2177.6-70.700109.3C73 T74 I75 F76 C104 M108 V228 T229 L230 I255C73-M253 HydrophobicContact CB-CE 3.77Å; T74-M253 PolarHBondContact O-N 3.46Å; I75-M253 CarbonylContact C-O 3.59Å; I75-M253 WeakPolarHBondContact CA-O 3.46Å; F76-M253 PolarHBondContact N-O 3.33Å; C104-M253 HydrophobicContact CB-SD 4.3Å; M108-M253 HydrophobicContact CG-CE 3.35Å; M108-M253 HydrophobicContact CG-SD 3.78Å; M108-M253 HydrophobicContact SD-CE 3.48Å; M108-M253 WeakPolarHBondContact SD-CE 3.3Å; V228-M253 HydrophobicContact CG1-CB 4.26Å; V228-M253 HydrophobicContact CG1-CG 4.36Å; T229-M253 WeakPolarHBondContact O-CA 3.34Å; L230-M253 HydrophobicContact CB-CG 4.25Å; L230-M253 HydrophobicContact CD1-CG 3.56Å; L230-M253 HydrophobicContact CD1-SD 4.33Å; L230-M253 HydrophobicContact CG-CG 4.48Å; M253-I255 HydrophobicContact CB-CG1 4.43Å
254N98.4Very high96.1Very high8 Ų843.6 Ų43.64%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-78.7130.3165.6-172.2-98.9000109.2F76 V228 T229 L284 F294F76-N254 HydrophobicContact CB-CB 4.35Å; F76-N254 WeakPolarHBondContact O-CA 3.28Å; F76-N254 PolarHBondContact O-ND2 3.49Å; V228-N254 CarbonylContact C-O 3.5Å; V228-N254 VanDerWaalsContact CA-O 3.28Å; V228-N254 WeakPolarHBondContact CA-O 3.46Å; T229-N254 PolarHBondContact N-O 2.95Å; T229-N254 PolarHBondContact O-N 2.95Å; N254-L284 HydrophobicContact CB-CD2 3.8Å; N254-L284 WeakPolarHBondContact OD1-CD2 3.28Å; N254-F294 HydrophobicContact CB-CB 4.16Å; N254-F294 HydrophobicContact CB-CD1 4.06Å; N254-F294 HydrophobicContact CB-CD2 3.81Å; N254-F294 HydrophobicContact CB-CE1 4.44Å; N254-F294 HydrophobicContact CB-CE2 4.2Å; N254-F294 HydrophobicContact CB-CG 3.75Å
255I98.3Very high95.9Very high6 Ų649.2 Ų49.23%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-128.9125.4-179-50-179.1000109.1I75 F76 A77 T81 F85 M108 D227 V228 M253I75-I255 HydrophobicContact CG2-CD1 3.93Å; I75-I255 HydrophobicContact CG2-CG1 4.25Å; F76-I255 PolarHBondContact O-N 3.02Å; A77-I255 HydrophobicContact CB-CB 4.17Å; A77-I255 WeakPolarHBondContact CB-O 3.25Å; T81-I255 HydrophobicContact CG2-CG2 4.35Å; F85-I255 HydrophobicContact CE1-CG2 4.09Å; F85-I255 HydrophobicContact CE2-CD1 4.14Å; F85-I255 HydrophobicContact CZ-CB 4.17Å; F85-I255 HydrophobicContact CZ-CD1 3.81Å; F85-I255 HydrophobicContact CZ-CG2 3.76Å; M108-I255 HydrophobicContact CE-CD1 3.5Å; M108-I255 VanDerWaalsContact CE-CD1 3.5Å; D227-I255 WeakPolarHBondContact O-CA 3.49Å; V228-I255 HydrophobicContact CG1-CG1 4.17Å; V228-I255 HydrophobicContact CG2-CG1 4.12Å; V228-I255 HydrophobicContact CG2-CG2 4.15Å; M253-I255 HydrophobicContact CB-CG1 4.43Å
256K97.9Very high96.1Very high82 Ų8251.8 Ų51.836%0.35725%0.249SC..EExtended strand (participates in β ladder)trans-119.8135.9171.5-65.1-178.3-178.1178.30110.1Y226 D227 Y258Y226-K256 CarbonylContact C-O 3.25Å; Y226-K256 WeakPolarHBondContact CA-O 3.47Å; D227-K256 HydrophobicContact CB-CB 4.4Å; D227-K256 PolarHBondContact N-O 3.36Å; D227-K256 PolarHBondContact O-N 2.88Å; K256-Y258 HydrophobicContact CB-CE2 3.82Å
257R98.1Very high96.1Very high62 Ų6255.1 Ų55.123%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-98.5129.4176.9176.7175.5-173.5-69.7-3.5110.5T81 E88 A224 Y226T81-R257 HydrophobicContact CG2-CB 3.85Å; E88-R257 IonicContact OE1-CZ 3.69Å; E88-R257 IonicContact OE1-NE 3.55Å; E88-R257 PolarHBondContact OE1-NE 2.8Å; E88-R257 IonicContact OE1-NH2 2.76Å; E88-R257 PolarHBondContact OE1-NH2 2.98Å; E88-R257 IonicContact OE2-CZ 2.83Å; E88-R257 IonicContact OE2-NE 3.77Å; E88-R257 IonicContact OE2-NH2 3.52Å; E88-R257 PolarHBondContact OE2-NH2 3.3Å; A224-R257 HydrophobicContact CB-CG 3.9Å; Y226-R257 HydrophobicContact CD1-CB 4.04Å; Y226-R257 HydrophobicContact CD1-CG 3.97Å; Y226-R257 HydrophobicContact CE1-CB 4.02Å; Y226-R257 HydrophobicContact CE1-CG 3.64Å
258Y98.3Very high96.1Very high39 Ų3957.9 Ų57.915%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-117.6114171.2-62.8-89.6000108.6A224 V225 D227 K256 W273 L277 Q280A224-Y258 CarbonylContact C-O 3.58Å; A224-Y258 VanDerWaalsContact CA-O 3.24Å; A224-Y258 WeakPolarHBondContact CA-O 3.24Å; A224-Y258 WeakPolarHBondContact CB-O 3.15Å; V225-Y258 PolarHBondContact N-O 2.84Å; V225-Y258 PolarHBondContact O-N 3.49Å; D227-Y258 HydrophobicContact CB-CD2 4.14Å; D227-Y258 HydrophobicContact CB-CE2 3.69Å; K256-Y258 HydrophobicContact CB-CE2 3.82Å; Y258-W273 HydrophobicContact CD1-CZ2 4.04Å; Y258-W273 HydrophobicContact CD2-CZ2 4.23Å; Y258-W273 AromaticContact CG-CZ2 3.87Å; Y258-W273 HydrophobicContact CG-CZ2 3.87Å; Y258-L277 HydrophobicContact CD2-CD1 4.47Å; Y258-L277 HydrophobicContact CE2-CD1 3.68Å; Y258-Q280 PolarHBondContact OH-OE1 3.19Å
259P97.8Very high96.2Very high26 Ų2658.8 Ų58.817%0.16928%0.277CS..EExtended strand (participates in β ladder)trans-52.3141.6168.4-20.430.1000110.9E261 E262P259-E261 VanDerWaalsContact CB-OE2 3.29Å; P259-E261 WeakPolarHBondContact CB-OE2 3.46Å; P259-E261 PolarHBondContact O-N 3.18Å; P259-E262 HydrophobicContact CB-CG 4.21Å; P259-E262 HydrophobicContact CG-CG 4.21Å; P259-E262 WeakPolarHBondContact CG-OE1 3.47Å; P259-E262 PolarHBondContact O-N 3.43Å; P259-E262 VanDerWaalsContact O-N 3.1Å
260V96.6Very high96.2Very high15 Ų1558.8 Ų58.89%0.09128%0.278CS..G310 helixtrans-62.6-29.4-179.1165.90000111.4L215 V222 S223 E262 I263L215-V260 HydrophobicContact CD1-CG1 4.03Å; L215-V260 HydrophobicContact CD1-CG2 4Å; V222-V260 HydrophobicContact CG2-CG2 4.06Å; S223-V260 PolarHBondContact O-N 3.39Å; V260-E262 PolarHBondContact O-N 3.44Å; V260-I263 PolarHBondContact O-N 3.15Å; V260-I263 VanDerWaalsContact O-N 3.1Å
261E94.6Very high96.2Very high153 Ų15357 Ų5772%0.71527%0.271SS*.G310 helixtrans-65.9-21.5178.5-57.474.4-160.600113P259 I263P259-E261 VanDerWaalsContact CB-OE2 3.29Å; P259-E261 WeakPolarHBondContact CB-OE2 3.46Å; P259-E261 PolarHBondContact O-N 3.18Å; E261-I263 VanDerWaalsContact C-N 3.35Å
262E95.3Very high96.2Very high131 Ų13161.5 Ų61.561%0.61230%0.299SS*.G310 helixtrans-87.7-5.7176.5-64.7179.6-168.700112.8P259 V260P259-E262 HydrophobicContact CB-CG 4.21Å; P259-E262 HydrophobicContact CG-CG 4.21Å; P259-E262 WeakPolarHBondContact CG-OE1 3.47Å; P259-E262 PolarHBondContact O-N 3.43Å; P259-E262 VanDerWaalsContact O-N 3.1Å; V260-E262 PolarHBondContact O-N 3.44Å
263I96.4Very high96.2Very high8 Ų863.6 Ų63.64%0.04131%0.307CS..SBendtrans-99.8128.4-177.6-54.3177.4000108.9L215 V225 V260 E261 W273L215-I263 HydrophobicContact CD2-CB 4.21Å; L215-I263 HydrophobicContact CD2-CG2 3.58Å; V225-I263 HydrophobicContact CB-CD1 3.8Å; V225-I263 HydrophobicContact CG2-CD1 3.27Å; V260-I263 PolarHBondContact O-N 3.15Å; V260-I263 VanDerWaalsContact O-N 3.1Å; E261-I263 VanDerWaalsContact C-N 3.35Å; I263-W273 HydrophobicContact CD1-CH2 3.82Å; I263-W273 HydrophobicContact CD1-CZ2 3.86Å; I263-W273 HydrophobicContact CD1-CZ3 4.32Å; I263-W273 HydrophobicContact CG1-CH2 4.31Å; I263-W273 HydrophobicContact CG1-CZ2 3.88Å; I263-W273 HydrophobicContact CG2-CD2 4.02Å; I263-W273 HydrophobicContact CG2-CE3 4.11Å; I263-W273 HydrophobicContact CG2-CG 4.36Å
264P95.5Very high96.2Very high38 Ų3863.4 Ų63.425%0.24731%0.306CS..  trans-58141.1-178.9-24.733.3000113.1E269 C270 W273P264-E269 HydrophobicContact CB-CB 3.43Å; P264-E269 VanDerWaalsContact CB-CB 3.43Å; P264-E269 HydrophobicContact CG-CB 4.06Å; P264-C270 WeakPolarHBondContact O-CB 3.43Å; P264-W273 HydrophobicContact CG-CB 4.41Å
265E89.1Confident96.2Very high154 Ų15464.8 Ų64.872%0.7231%0.312SS*.SBendtrans-82.8-33.7-179.6-60.1-167.3-172.600113.2K219 E267K219-E265 WeakPolarHBondContact CE-OE1 3.26Å; K219-E265 IonicContact NZ-OE1 2.62Å; K219-E265 PolarHBondContact NZ-OE1 2.73Å; K219-E265 IonicContact NZ-OE2 2.7Å; K219-E265 PolarHBondContact NZ-OE2 3.47Å; E265-E267 PolarHBondContact O-N 2.9Å
266D94.4Very high96.2Very high81 Ų8170.7 Ų70.743%0.43334%0.338SS..SBendtrans-61.7135.4176.6174.6-94.2000110K268 E269 C270D266-K268 VanDerWaalsContact C-N 3.26Å; D266-K268 PolarHBondContact O-N 3.34Å; D266-K268 WeakPolarHBondContact OD1-CA 3.39Å; D266-K268 VanDerWaalsContact OD1-CB 3.28Å; D266-K268 WeakPolarHBondContact OD1-CB 3.34Å; D266-K268 PolarHBondContact OD1-N 3.09Å; D266-E269 HydrophobicContact CB-CB 4.15Å; D266-E269 HydrophobicContact CB-CG 4.07Å; D266-E269 PolarHBondContact O-N 2.88Å; D266-E269 PolarHBondContact OD1-N 2.92Å; D266-C270 WeakPolarHBondContact O-CB 3.41Å; D266-C270 PolarHBondContact O-N 3.26Å
267E93.2Very high96.2Very high91 Ų9167 Ų6743%0.42532%0.321SS..Hα-helixtrans-59.8-37.3-173.8-177.2175.5178.200112.2K209 T212 E265 A271K209-E267 VanDerWaalsContact CD-OE1 3.28Å; K209-E267 WeakPolarHBondContact CD-OE1 3.3Å; K209-E267 VanDerWaalsContact NZ-CD 3.34Å; K209-E267 IonicContact NZ-OE1 3.38Å; K209-E267 PolarHBondContact NZ-OE1 2.84Å; K209-E267 IonicContact NZ-OE2 2.93Å; K209-E267 PolarHBondContact NZ-OE2 3.46Å; T212-E267 HydrophobicContact CG2-CG 4.21Å; E265-E267 PolarHBondContact O-N 2.9Å; E267-A271 VanDerWaalsContact O-CB 3.28Å; E267-A271 WeakPolarHBondContact O-CB 3.32Å; E267-A271 PolarHBondContact O-N 3.08Å
268K94.8Very high96.2Very high164 Ų16464 Ų6471%0.71331%0.31SS*.Hα-helixtrans-76.5-40.3-178.5-61.3177.4178.7174.40111.2D266 A271 T272D266-K268 VanDerWaalsContact C-N 3.26Å; D266-K268 PolarHBondContact O-N 3.34Å; D266-K268 WeakPolarHBondContact OD1-CA 3.39Å; D266-K268 VanDerWaalsContact OD1-CB 3.28Å; D266-K268 WeakPolarHBondContact OD1-CB 3.34Å; D266-K268 PolarHBondContact OD1-N 3.09Å; K268-A271 WeakPolarHBondContact O-CB 3.28Å; K268-A271 PolarHBondContact O-N 2.89Å; K268-T272 WeakPolarHBondContact O-CB 3.23Å; K268-T272 PolarHBondContact O-N 3.43Å; K268-T272 PolarHBondContact O-OG1 2.96Å
269E96.5Very high96.2Very high117 Ų11765.9 Ų65.955%0.54732%0.32SS..Hα-helixtrans-65.7-41.5175.2-64.9-176.8175.200111.3P264 D266 A271 T272 W273P264-E269 HydrophobicContact CB-CB 3.43Å; P264-E269 VanDerWaalsContact CB-CB 3.43Å; P264-E269 HydrophobicContact CG-CB 4.06Å; D266-E269 HydrophobicContact CB-CB 4.15Å; D266-E269 HydrophobicContact CB-CG 4.07Å; D266-E269 PolarHBondContact O-N 2.88Å; D266-E269 PolarHBondContact OD1-N 2.92Å; E269-A271 PolarHBondContact O-N 3.26Å; E269-T272 WeakPolarHBondContact O-CB 3.4Å; E269-T272 PolarHBondContact O-N 2.94Å; E269-T272 VanDerWaalsContact O-N 3.16Å; E269-W273 PolarHBondContact O-N 2.79Å
270C96.6Very high96.2Very high3 Ų368.5 Ų68.52%0.0233%0.33CS..Hα-helixtrans-62.7-41.3174.6-1680000111.8F211 T212 P264 D266 T272 W273 L274F211-C270 VanDerWaalsContact CE1-SG 3.51Å; T212-C270 HydrophobicContact CG2-CB 3.98Å; P264-C270 WeakPolarHBondContact O-CB 3.43Å; D266-C270 WeakPolarHBondContact O-CB 3.41Å; D266-C270 PolarHBondContact O-N 3.26Å; C270-T272 VanDerWaalsContact C-N 3.34Å; C270-T272 PolarHBondContact O-N 3.48Å; C270-W273 WeakPolarHBondContact O-CB 3.22Å; C270-W273 PolarHBondContact O-N 3.29Å; C270-L274 PolarHBondContact O-N 3.15Å
271A96.1Very high96.2Very high15 Ų1567.9 Ų67.912%0.12433%0.326CS..Hα-helixtrans-61.2-42.2172.400000112T208 E267 K268 E269 L274 H275T208-A271 HydrophobicContact CG2-CB 3.6Å; E267-A271 VanDerWaalsContact O-CB 3.28Å; E267-A271 WeakPolarHBondContact O-CB 3.32Å; E267-A271 PolarHBondContact O-N 3.08Å; K268-A271 WeakPolarHBondContact O-CB 3.28Å; K268-A271 PolarHBondContact O-N 2.89Å; E269-A271 PolarHBondContact O-N 3.26Å; A271-L274 PolarHBondContact O-N 2.88Å; A271-H275 PolarHBondContact O-CD2 2.95Å; A271-H275 PolarHBondContact O-N 3.09Å
272T96.8Very high96.4Very high96 Ų9661.6 Ų61.659%0.58930%0.298SS*.Hα-helixtrans-64.9-41.7176.7-57.60000111.3K268 E269 C270 L274 H275 K276K268-T272 WeakPolarHBondContact O-CB 3.23Å; K268-T272 PolarHBondContact O-N 3.43Å; K268-T272 PolarHBondContact O-OG1 2.96Å; E269-T272 WeakPolarHBondContact O-CB 3.4Å; E269-T272 PolarHBondContact O-N 2.94Å; E269-T272 VanDerWaalsContact O-N 3.16Å; C270-T272 VanDerWaalsContact C-N 3.34Å; C270-T272 PolarHBondContact O-N 3.48Å; T272-L274 VanDerWaalsContact C-N 3.33Å; T272-L274 PolarHBondContact O-N 3.47Å; T272-H275 PolarHBondContact O-N 3.48Å; T272-K276 PolarHBondContact O-N 3.39Å
273W97.9Very high96.5Very high43 Ų4358 Ų5816%0.16329%0.291CS..Hα-helixtrans-57.6-45.6173178.196000111.3I93 F211 V225 Y258 I263 P264 E269 C270 H275 K276 L277I93-W273 HydrophobicContact CD1-CZ3 4.25Å; F211-W273 AromaticContact CE1-CE3 3.77Å; F211-W273 HydrophobicContact CE1-CE3 3.77Å; F211-W273 AromaticContact CE1-CZ3 3.66Å; F211-W273 HydrophobicContact CE1-CZ3 3.66Å; F211-W273 HydrophobicContact CE2-CZ3 4.35Å; F211-W273 AromaticContact CZ-CE3 3.96Å; F211-W273 HydrophobicContact CZ-CE3 3.96Å; F211-W273 HydrophobicContact CZ-CH2 4.27Å; F211-W273 AromaticContact CZ-CZ3 3.41Å; F211-W273 HydrophobicContact CZ-CZ3 3.41Å; F211-W273 VanDerWaalsContact CZ-CZ3 3.41Å; V225-W273 HydrophobicContact CG1-CH2 4.21Å; Y258-W273 HydrophobicContact CD1-CZ2 4.04Å; Y258-W273 HydrophobicContact CD2-CZ2 4.23Å; Y258-W273 AromaticContact CG-CZ2 3.87Å; Y258-W273 HydrophobicContact CG-CZ2 3.87Å; I263-W273 HydrophobicContact CD1-CH2 3.82Å; I263-W273 HydrophobicContact CD1-CZ2 3.86Å; I263-W273 HydrophobicContact CD1-CZ3 4.32Å; I263-W273 HydrophobicContact CG1-CH2 4.31Å; I263-W273 HydrophobicContact CG1-CZ2 3.88Å; I263-W273 HydrophobicContact CG2-CD2 4.02Å; I263-W273 HydrophobicContact CG2-CE3 4.11Å; I263-W273 HydrophobicContact CG2-CG 4.36Å; P264-W273 HydrophobicContact CG-CB 4.41Å; E269-W273 PolarHBondContact O-N 2.79Å; C270-W273 WeakPolarHBondContact O-CB 3.22Å; C270-W273 PolarHBondContact O-N 3.29Å; W273-H275 PolarHBondContact O-N 3.12Å; W273-K276 WeakPolarHBondContact O-CB 3.48Å; W273-K276 PolarHBondContact O-N 3.42Å; W273-L277 HydrophobicContact CH2-CD1 4.29Å; W273-L277 HydrophobicContact CH2-CD2 3.7Å; W273-L277 HydrophobicContact CH2-CG 4.47Å; W273-L277 HydrophobicContact CZ2-CD1 4.32Å; W273-L277 HydrophobicContact CZ3-CD2 3.77Å; W273-L277 PolarHBondContact O-N 2.86Å
274L98.1Very high96.6Very high0 Ų058.4 Ų58.40%029%0.293CS..Hα-helixtrans-64.4-39.9177.9-17566.2000112.4I93 C175 P206 T208 F211 C270 A271 T272 K276 L277 Y278I93-L274 HydrophobicContact CD1-CD1 3.74Å; C175-L274 HydrophobicContact CB-CD2 4.19Å; P206-L274 HydrophobicContact CB-CD2 3.84Å; P206-L274 HydrophobicContact CB-CG 3.94Å; P206-L274 HydrophobicContact CG-CD2 4.42Å; P206-L274 HydrophobicContact CG-CG 4.14Å; T208-L274 HydrophobicContact CG2-CD2 3.99Å; F211-L274 HydrophobicContact CB-CD2 3.91Å; F211-L274 HydrophobicContact CD1-CB 4.16Å; F211-L274 HydrophobicContact CD1-CD1 4.14Å; F211-L274 HydrophobicContact CD1-CD2 3.9Å; F211-L274 HydrophobicContact CD1-CG 4.3Å; F211-L274 HydrophobicContact CE1-CB 4.39Å; F211-L274 HydrophobicContact CE1-CD1 4.43Å; F211-L274 HydrophobicContact CG-CD1 4.34Å; F211-L274 HydrophobicContact CG-CD2 4.11Å; C270-L274 PolarHBondContact O-N 3.15Å; A271-L274 PolarHBondContact O-N 2.88Å; T272-L274 VanDerWaalsContact C-N 3.33Å; T272-L274 PolarHBondContact O-N 3.47Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.89Å; L274-L277 HydrophobicContact CD1-CD2 4.13Å; L274-L277 WeakPolarHBondContact O-CB 3.45Å; L274-L277 PolarHBondContact O-N 3.2Å; L274-Y278 HydrophobicContact CD1-CD2 4.07Å; L274-Y278 HydrophobicContact CD1-CE2 3.98Å; L274-Y278 HydrophobicContact CG-CD2 4.3Å; L274-Y278 HydrophobicContact CG-CE2 4.46Å; L274-Y278 WeakPolarHBondContact O-CD2 3.29Å; L274-Y278 PolarHBondContact O-N 2.84Å
275H97.7Very high96.6Very high37 Ų3756.8 Ų56.817%0.17128%0.282CS..Hα-helixtrans-62.7-39.2174-77.3-60000112.2A271 T272 W273 Y278 Q279A271-H275 PolarHBondContact O-CD2 2.95Å; A271-H275 PolarHBondContact O-N 3.09Å; T272-H275 PolarHBondContact O-N 3.48Å; W273-H275 PolarHBondContact O-N 3.12Å; H275-Y278 PolarHBondContact O-N 3.05Å; H275-Q279 WeakPolarHBondContact O-CG 3.34Å; H275-Q279 PolarHBondContact O-N 3.05Å; H275-Q279 VanDerWaalsContact O-N 3.16Å; H275-Q279 PolarHBondContact O-NE2 2.85Å
276K97.9Very high97Very high130 Ų13052.7 Ų52.757%0.56526%0.263SS*.Hα-helixtrans-67.4-40.2175-173176.3-180179.40111.7T272 W273 L274 Y278 Q279 Q280T272-K276 PolarHBondContact O-N 3.39Å; W273-K276 WeakPolarHBondContact O-CB 3.48Å; W273-K276 PolarHBondContact O-N 3.42Å; L274-K276 VanDerWaalsContact C-N 3.32Å; L274-K276 PolarHBondContact O-N 2.89Å; K276-Y278 VanDerWaalsContact C-N 3.31Å; K276-Y278 PolarHBondContact O-N 3.39Å; K276-Q279 WeakPolarHBondContact O-CB 3.27Å; K276-Q279 PolarHBondContact O-N 3.44Å; K276-Q280 WeakPolarHBondContact O-CG 3.46Å; K276-Q280 PolarHBondContact O-N 3.38Å; K276-Q280 VanDerWaalsContact O-N 3.08Å
277L98.3Very high97.1Very high3 Ų352 Ų522%0.01626%0.257CS..Hα-helixtrans-57.7-45174.5-170.974.1000111.1I93 D227 Y258 W273 L274 Q279 Q280 K281I93-L277 HydrophobicContact CD1-CD2 3.68Å; D227-L277 HydrophobicContact CB-CD1 4.08Å; D227-L277 HydrophobicContact CB-CD2 4.34Å; D227-L277 VanDerWaalsContact OD1-CD2 3.25Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.46Å; Y258-L277 HydrophobicContact CD2-CD1 4.47Å; Y258-L277 HydrophobicContact CE2-CD1 3.68Å; W273-L277 HydrophobicContact CH2-CD1 4.29Å; W273-L277 HydrophobicContact CH2-CD2 3.7Å; W273-L277 HydrophobicContact CH2-CG 4.47Å; W273-L277 HydrophobicContact CZ2-CD1 4.32Å; W273-L277 HydrophobicContact CZ3-CD2 3.77Å; W273-L277 PolarHBondContact O-N 2.86Å; L274-L277 HydrophobicContact CD1-CD2 4.13Å; L274-L277 WeakPolarHBondContact O-CB 3.45Å; L274-L277 PolarHBondContact O-N 3.2Å; L277-Q279 PolarHBondContact O-N 3.42Å; L277-Q280 WeakPolarHBondContact O-CB 3.21Å; L277-Q280 PolarHBondContact O-N 3.08Å; L277-Q280 VanDerWaalsContact O-N 3.13Å; L277-K281 PolarHBondContact O-N 2.8Å
278Y98.2Very high97.3Very high0 Ų048.1 Ų48.10%024%0.238CC..Hα-helixtrans-67.6-30.9177.7-94-99.1000113.8I93 C175 E176 L200 H203 P206 L274 H275 K276 Q280 K281 D282I93-Y278 HydrophobicContact CG2-CE2 3.96Å; C175-Y278 HydrophobicContact CB-CE2 3.83Å; C175-Y278 WeakPolarHBondContact CB-OH 3.36Å; E176-Y278 HydrophobicContact CG-CE1 3.57Å; E176-Y278 PolarHBondContact N-OH 2.85Å; L200-Y278 HydrophobicContact CD1-CD1 4.39Å; H203-Y278 HydrophobicContact CB-CD1 4.03Å; H203-Y278 HydrophobicContact CB-CE1 4.35Å; P206-Y278 HydrophobicContact CB-CD1 4.36Å; P206-Y278 HydrophobicContact CB-CD2 3.56Å; P206-Y278 HydrophobicContact CB-CE1 4.4Å; P206-Y278 HydrophobicContact CB-CE2 3.59Å; P206-Y278 HydrophobicContact CB-CG 3.95Å; P206-Y278 HydrophobicContact CG-CD1 4.33Å; P206-Y278 HydrophobicContact CG-CD2 3.59Å; P206-Y278 HydrophobicContact CG-CE2 4.17Å; P206-Y278 HydrophobicContact CG-CG 3.67Å; L274-Y278 HydrophobicContact CD1-CD2 4.07Å; L274-Y278 HydrophobicContact CD1-CE2 3.98Å; L274-Y278 HydrophobicContact CG-CD2 4.3Å; L274-Y278 HydrophobicContact CG-CE2 4.46Å; L274-Y278 WeakPolarHBondContact O-CD2 3.29Å; L274-Y278 PolarHBondContact O-N 2.84Å; H275-Y278 PolarHBondContact O-N 3.05Å; K276-Y278 VanDerWaalsContact C-N 3.31Å; K276-Y278 PolarHBondContact O-N 3.39Å; Y278-Q280 VanDerWaalsContact C-N 3.34Å; Y278-K281 HydrophobicContact CD1-CD 4.4Å; Y278-K281 HydrophobicContact CE1-CD 4.37Å; Y278-K281 PolarHBondContact O-N 3.3Å; Y278-D282 WeakPolarHBondContact O-CB 3.46Å; Y278-D282 PolarHBondContact O-N 3.07Å
279Q98.2Very high97.3Very high79 Ų7943.2 Ų43.237%0.36922%0.218SC..Hα-helixtrans-64.6-40.1169.7-70.5168.860.700111.6P198 L200 H275 K276 L277 D282 A283P198-Q279 HydrophobicContact CB-CG 4.4Å; L200-Q279 HydrophobicContact CD2-CB 4.47Å; L200-Q279 HydrophobicContact CD2-CG 3.86Å; H275-Q279 WeakPolarHBondContact O-CG 3.34Å; H275-Q279 PolarHBondContact O-N 3.05Å; H275-Q279 VanDerWaalsContact O-N 3.16Å; H275-Q279 PolarHBondContact O-NE2 2.85Å; K276-Q279 WeakPolarHBondContact O-CB 3.27Å; K276-Q279 PolarHBondContact O-N 3.44Å; L277-Q279 PolarHBondContact O-N 3.42Å; Q279-D282 PolarHBondContact O-N 3.07Å; Q279-A283 PolarHBondContact O-N 2.85Å; Q279-A283 VanDerWaalsContact O-N 3.08Å
280Q97.9Very high97.2Very high81 Ų8144.1 Ų44.138%0.37922%0.22SC..Hα-helixtrans-65.9-40.3175.3-65.7173.9-5.500111.8Y258 K276 L277 Y278 D282 A283 L284Y258-Q280 PolarHBondContact OH-OE1 3.19Å; K276-Q280 WeakPolarHBondContact O-CG 3.46Å; K276-Q280 PolarHBondContact O-N 3.38Å; K276-Q280 VanDerWaalsContact O-N 3.08Å; L277-Q280 WeakPolarHBondContact O-CB 3.21Å; L277-Q280 PolarHBondContact O-N 3.08Å; L277-Q280 VanDerWaalsContact O-N 3.13Å; Y278-Q280 VanDerWaalsContact C-N 3.34Å; Q280-D282 VanDerWaalsContact C-N 3.32Å; Q280-A283 PolarHBondContact O-N 3.39Å; Q280-L284 WeakPolarHBondContact O-CB 3.41Å; Q280-L284 PolarHBondContact O-N 2.66Å
281K97.6Very high97.2Very high1 Ų150 Ų500%0.00425%0.247CC..Hα-helixtrans-59.6-43.1172.3-72.1-170.7174.5-58.70112.1D227 V228 T229 L277 Y278 L284 Q285D227-K281 WeakPolarHBondContact OD1-CE 3.35Å; D227-K281 IonicContact OD1-NZ 3.78Å; D227-K281 PolarHBondContact OD1-NZ 2.8Å; D227-K281 WeakPolarHBondContact OD2-CE 3.18Å; D227-K281 IonicContact OD2-NZ 2.86Å; D227-K281 PolarHBondContact OD2-NZ 2.85Å; V228-K281 VanDerWaalsContact C-NZ 3.26Å; V228-K281 PolarHBondContact O-NZ 2.82Å; T229-K281 PolarHBondContact OG1-NZ 3.41Å; L277-K281 PolarHBondContact O-N 2.8Å; Y278-K281 HydrophobicContact CD1-CD 4.4Å; Y278-K281 HydrophobicContact CE1-CD 4.37Å; Y278-K281 PolarHBondContact O-N 3.3Å; K281-L284 WeakPolarHBondContact O-CB 3.37Å; K281-L284 PolarHBondContact O-N 3.33Å; K281-Q285 WeakPolarHBondContact O-CB 3.2Å; K281-Q285 PolarHBondContact O-N 3.35Å
282D97.9Very high97.1Very high21 Ų2151.2 Ų51.211%0.11226%0.262CS..Hα-helixtrans-63.1-43.8-179.5-156.372.5000111.9L200 K201 Y202 H203 Y278 Q279 Q280 Q285 E286L200-D282 HydrophobicContact CD2-CB 4.05Å; K201-D282 VanDerWaalsContact N-CG 3.27Å; K201-D282 PolarHBondContact N-OD1 3.17Å; K201-D282 PolarHBondContact N-OD2 3.47Å; Y202-D282 WeakPolarHBondContact CA-OD1 3.45Å; Y202-D282 PolarHBondContact N-OD1 3.01Å; H203-D282 IonicContact CD2-OD1 2.71Å; H203-D282 PolarHBondContact N-OD1 2.92Å; Y278-D282 WeakPolarHBondContact O-CB 3.46Å; Y278-D282 PolarHBondContact O-N 3.07Å; Q279-D282 PolarHBondContact O-N 3.07Å; Q280-D282 VanDerWaalsContact C-N 3.32Å; D282-Q285 PolarHBondContact O-N 3.07Å; D282-E286 PolarHBondContact O-N 2.96Å
283A98.1Very high97Very high56 Ų5649 Ų4946%0.46325%0.25SC..Hα-helixtrans-64.4-38.7173.400000112.4Q279 Q280 Q285 E286 H287Q279-A283 PolarHBondContact O-N 2.85Å; Q279-A283 VanDerWaalsContact O-N 3.08Å; Q280-A283 PolarHBondContact O-N 3.39Å; A283-Q285 VanDerWaalsContact C-N 3.33Å; A283-E286 WeakPolarHBondContact O-CB 3.27Å; A283-E286 PolarHBondContact O-N 3.3Å; A283-H287 PolarHBondContact O-N 2.91Å
284L97.6Very high96.9Very high17 Ų1747.1 Ų47.19%0.08924%0.243CC..Hα-helixtrans-64.9-38.7175.6-178.967.3000111.8T229 N254 Q280 K281 H287 Y288 F294 P295T229-L284 HydrophobicContact CG2-CD2 4.34Å; N254-L284 HydrophobicContact CB-CD2 3.8Å; N254-L284 WeakPolarHBondContact OD1-CD2 3.28Å; Q280-L284 WeakPolarHBondContact O-CB 3.41Å; Q280-L284 PolarHBondContact O-N 2.66Å; K281-L284 WeakPolarHBondContact O-CB 3.37Å; K281-L284 PolarHBondContact O-N 3.33Å; L284-H287 WeakPolarHBondContact O-CB 3.24Å; L284-H287 PolarHBondContact O-N 3.44Å; L284-Y288 PolarHBondContact O-N 2.88Å; L284-F294 HydrophobicContact CD1-CD1 3.74Å; L284-F294 HydrophobicContact CD1-CE1 4.39Å; L284-F294 HydrophobicContact CD2-CD1 4.09Å; L284-F294 HydrophobicContact CD2-CE1 4.13Å; L284-F294 HydrophobicContact CG-CD1 3.68Å; L284-F294 HydrophobicContact CG-CE1 3.82Å; L284-P295 HydrophobicContact CD1-CG 3.92Å
285Q96.8Very high96.8Very high4 Ų450.1 Ų50.12%0.01926%0.262CS..Hα-helixtrans-69-37.8175.5-174.959.930.700111.2Y202 N231 K281 D282 A283 H287 Y288 E289Y202-Q285 HydrophobicContact CD1-CG 3.94Å; Y202-Q285 HydrophobicContact CD2-CB 4.16Å; Y202-Q285 HydrophobicContact CD2-CG 4.07Å; Y202-Q285 HydrophobicContact CG-CB 4.09Å; Y202-Q285 HydrophobicContact CG-CG 3.53Å; N231-Q285 PolarHBondContact ND2-NE2 2.91Å; N231-Q285 PolarHBondContact ND2-OE1 3.08Å; K281-Q285 WeakPolarHBondContact O-CB 3.2Å; K281-Q285 PolarHBondContact O-N 3.35Å; D282-Q285 PolarHBondContact O-N 3.07Å; A283-Q285 VanDerWaalsContact C-N 3.33Å; Q285-H287 VanDerWaalsContact C-N 3.33Å; Q285-H287 PolarHBondContact O-N 2.63Å; Q285-Y288 PolarHBondContact O-N 3.42Å; Q285-E289 PolarHBondContact O-N 3.47Å
286E97.1Very high96.6Very high67 Ų6750.9 Ų50.931%0.31328%0.28SS..Hα-helixtrans-59.5-44.9171.2-166.5177.1-163.600111.9K201 Y202 D282 A283 E289 K290K201-E286 IonicContact NZ-OE1 3.84Å; Y202-E286 HydrophobicContact CD2-CB 4.32Å; Y202-E286 VanDerWaalsContact CE2-CA 3.49Å; Y202-E286 HydrophobicContact CE2-CB 3.54Å; Y202-E286 HydrophobicContact CE2-CG 3.88Å; D282-E286 PolarHBondContact O-N 2.96Å; A283-E286 WeakPolarHBondContact O-CB 3.27Å; A283-E286 PolarHBondContact O-N 3.3Å; E286-E289 PolarHBondContact O-N 3.07Å; E286-K290 HydrophobicContact CG-CD 4.38Å; E286-K290 WeakPolarHBondContact O-CG 3.41Å; E286-K290 PolarHBondContact O-N 3.35Å; E286-K290 WeakPolarHBondContact OE1-CE 3.21Å; E286-K290 IonicContact OE1-NZ 2.99Å; E286-K290 PolarHBondContact OE1-NZ 2.68Å; E286-K290 IonicContact OE2-NZ 3.64Å
287H96.9Very high96.5Very high68 Ų6848.5 Ų48.532%0.31528%0.278SS..Hα-helixtrans-59.7-46.4175.4177.692.7000111.3A283 L284 Q285 E289 K290 E291 S293A283-H287 PolarHBondContact O-N 2.91Å; L284-H287 WeakPolarHBondContact O-CB 3.24Å; L284-H287 PolarHBondContact O-N 3.44Å; Q285-H287 VanDerWaalsContact C-N 3.33Å; Q285-H287 PolarHBondContact O-N 2.63Å; H287-E289 VanDerWaalsContact C-N 3.3Å; H287-E289 PolarHBondContact O-N 3.31Å; H287-K290 PolarHBondContact O-N 3.4Å; H287-K290 VanDerWaalsContact O-N 3.07Å; H287-E291 VanDerWaalsContact CE1-CG 3.46Å; H287-E291 WeakPolarHBondContact CE1-CG 3.08Å; H287-E291 PolarHBondContact O-N 3.11Å; H287-S293 PolarHBondContact CD2-O 2.82Å
288Y96.6Very high96.4Very high9 Ų952 Ų524%0.03530%0.3CS..Hα-helixtrans-61.1-37.9177.7-164.9-78.5000112.4N231 R233 D252 L284 Q285 K290 G292 F294N231-Y288 HydrophobicContact CB-CD1 3.98Å; N231-Y288 HydrophobicContact CB-CD2 4.35Å; N231-Y288 HydrophobicContact CB-CE1 3.76Å; N231-Y288 HydrophobicContact CB-CE2 4.18Å; N231-Y288 HydrophobicContact CB-CG 4.25Å; N231-Y288 VanDerWaalsContact CG-CE1 3.42Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.44Å; N231-Y288 VanDerWaalsContact ND2-CE1 3.32Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.43Å; R233-Y288 WeakPolarHBondContact CG-OH 3.25Å; R233-Y288 PolarHBondContact N-OH 2.9Å; D252-Y288 HydrophobicContact CB-CE2 3.82Å; D252-Y288 PolarHBondContact OD2-OH 2.97Å; L284-Y288 PolarHBondContact O-N 2.88Å; Q285-Y288 PolarHBondContact O-N 3.42Å; Y288-K290 VanDerWaalsContact C-N 3.26Å; Y288-K290 PolarHBondContact O-N 2.99Å; Y288-G292 VanDerWaalsContact O-CA 3.23Å; Y288-G292 WeakPolarHBondContact O-CA 3.24Å; Y288-G292 PolarHBondContact O-N 3.21Å; Y288-F294 HydrophobicContact CD2-CB 4.36Å; Y288-F294 AromaticContact CD2-CD1 3.48Å; Y288-F294 HydrophobicContact CD2-CD1 3.48Å; Y288-F294 VanDerWaalsContact CD2-CD1 3.48Å; Y288-F294 AromaticContact CD2-CD2 3.66Å; Y288-F294 HydrophobicContact CD2-CD2 3.66Å; Y288-F294 AromaticContact CD2-CE1 3.48Å; Y288-F294 HydrophobicContact CD2-CE1 3.48Å; Y288-F294 VanDerWaalsContact CD2-CE1 3.48Å; Y288-F294 AromaticContact CD2-CE2 3.66Å; Y288-F294 HydrophobicContact CD2-CE2 3.66Å; Y288-F294 AromaticContact CD2-CG 3.56Å; Y288-F294 HydrophobicContact CD2-CG 3.56Å; Y288-F294 AromaticContact CD2-CZ 3.57Å; Y288-F294 HydrophobicContact CD2-CZ 3.57Å; Y288-F294 HydrophobicContact CE2-CD1 4.37Å; Y288-F294 AromaticContact CE2-CD2 3.71Å; Y288-F294 HydrophobicContact CE2-CD2 3.71Å; Y288-F294 HydrophobicContact CE2-CE1 4.36Å; Y288-F294 AromaticContact CE2-CE2 3.71Å; Y288-F294 HydrophobicContact CE2-CE2 3.71Å; Y288-F294 HydrophobicContact CE2-CG 4.04Å; Y288-F294 HydrophobicContact CE2-CZ 4.05Å; Y288-F294 HydrophobicContact CG-CD1 4.21Å; Y288-F294 AromaticContact CG-CE1 3.93Å; Y288-F294 HydrophobicContact CG-CE1 3.93Å; Y288-F294 HydrophobicContact CG-CZ 4.16Å
289E94.9Very high96.3Very high60 Ų6053.8 Ų53.828%0.2831%0.309SS..Hα-helixtrans-65.8-27.7175.8-75.6-60.8142.300113.6Y202 K235 Q285 E286 H287Y202-E289 HydrophobicContact CD1-CG 4.41Å; Y202-E289 HydrophobicContact CE1-CG 3.74Å; K235-E289 VanDerWaalsContact CE-OE2 3.27Å; K235-E289 WeakPolarHBondContact CE-OE2 3.41Å; K235-E289 IonicContact NZ-OE2 2.91Å; K235-E289 PolarHBondContact NZ-OE2 2.86Å; Q285-E289 PolarHBondContact O-N 3.47Å; E286-E289 PolarHBondContact O-N 3.07Å; H287-E289 VanDerWaalsContact C-N 3.3Å; H287-E289 PolarHBondContact O-N 3.31Å
290K94.9Very high96.1Very high136 Ų13655.3 Ų55.359%0.59131%0.314SS*.Hα-helixtrans-85.2-48.7178.3-69.7172.8-175.4166.70112E286 H287 Y288E286-K290 HydrophobicContact CG-CD 4.38Å; E286-K290 WeakPolarHBondContact O-CG 3.41Å; E286-K290 PolarHBondContact O-N 3.35Å; E286-K290 WeakPolarHBondContact OE1-CE 3.21Å; E286-K290 IonicContact OE1-NZ 2.99Å; E286-K290 PolarHBondContact OE1-NZ 2.68Å; E286-K290 IonicContact OE2-NZ 3.64Å; H287-K290 PolarHBondContact O-N 3.4Å; H287-K290 VanDerWaalsContact O-N 3.07Å; Y288-K290 VanDerWaalsContact C-N 3.26Å; Y288-K290 PolarHBondContact O-N 2.99Å
291E95.3Very high95.7Very high126 Ų12652.5 Ų52.559%0.58930%0.303SS*.Hα-helixtrans-96.2-15.1-170.9-55.8-53.7137.700113.8H287 S293H287-E291 VanDerWaalsContact CE1-CG 3.46Å; H287-E291 WeakPolarHBondContact CE1-CG 3.08Å; H287-E291 PolarHBondContact O-N 3.11Å; E291-S293 PolarHBondContact O-N 2.97Å
292G93.6Very high95.5Very high42 Ų4257.8 Ų57.843%0.43334%0.337SS..SBendtrans72.88.4-177.900000115Y288Y288-G292 VanDerWaalsContact O-CA 3.23Å; Y288-G292 WeakPolarHBondContact O-CA 3.24Å; Y288-G292 PolarHBondContact O-N 3.21Å
293S95.1Very high95.3Very high48 Ų4860.8 Ų60.834%0.33635%0.347SS..SBendtrans-153.3162.3176.1640000111.3H287 E291H287-S293 PolarHBondContact CD2-O 2.82Å; E291-S293 PolarHBondContact O-N 2.97Å
294F97.3Very high95.2Very high4 Ų461.7 Ų61.72%0.01834%0.338CS..  trans-83152.9171.3-68.3-59000110.4F76 T229 N231 D252 N254 L284 Y288F76-F294 HydrophobicContact CB-CB 3.97Å; F76-F294 HydrophobicContact CD1-CB 3.71Å; F76-F294 WeakPolarHBondContact CD1-O 3.4Å; F76-F294 HydrophobicContact CD2-CB 4.1Å; F76-F294 AromaticContact CD2-CD2 3.98Å; F76-F294 HydrophobicContact CD2-CD2 3.98Å; F76-F294 HydrophobicContact CE1-CB 4.16Å; F76-F294 WeakPolarHBondContact CE1-O 2.78Å; F76-F294 HydrophobicContact CE2-CD2 4.33Å; F76-F294 HydrophobicContact CG-CB 3.67Å; F76-F294 HydrophobicContact CG-CD2 4.37Å; T229-F294 HydrophobicContact CG2-CE1 4.02Å; T229-F294 HydrophobicContact CG2-CZ 3.85Å; T229-F294 WeakPolarHBondContact O-CE2 2.91Å; T229-F294 WeakPolarHBondContact O-CZ 3.41Å; N231-F294 HydrophobicContact CB-CE2 4.19Å; N231-F294 HydrophobicContact CB-CZ 3.83Å; D252-F294 HydrophobicContact CB-CD2 3.94Å; D252-F294 HydrophobicContact CB-CE2 3.98Å; D252-F294 WeakPolarHBondContact O-CE2 3.5Å; N254-F294 HydrophobicContact CB-CB 4.16Å; N254-F294 HydrophobicContact CB-CD1 4.06Å; N254-F294 HydrophobicContact CB-CD2 3.81Å; N254-F294 HydrophobicContact CB-CE1 4.44Å; N254-F294 HydrophobicContact CB-CE2 4.2Å; N254-F294 HydrophobicContact CB-CG 3.75Å; L284-F294 HydrophobicContact CD1-CD1 3.74Å; L284-F294 HydrophobicContact CD1-CE1 4.39Å; L284-F294 HydrophobicContact CD2-CD1 4.09Å; L284-F294 HydrophobicContact CD2-CE1 4.13Å; L284-F294 HydrophobicContact CG-CD1 3.68Å; L284-F294 HydrophobicContact CG-CE1 3.82Å; Y288-F294 HydrophobicContact CD2-CB 4.36Å; Y288-F294 AromaticContact CD2-CD1 3.48Å; Y288-F294 HydrophobicContact CD2-CD1 3.48Å; Y288-F294 VanDerWaalsContact CD2-CD1 3.48Å; Y288-F294 AromaticContact CD2-CD2 3.66Å; Y288-F294 HydrophobicContact CD2-CD2 3.66Å; Y288-F294 AromaticContact CD2-CE1 3.48Å; Y288-F294 HydrophobicContact CD2-CE1 3.48Å; Y288-F294 VanDerWaalsContact CD2-CE1 3.48Å; Y288-F294 AromaticContact CD2-CE2 3.66Å; Y288-F294 HydrophobicContact CD2-CE2 3.66Å; Y288-F294 AromaticContact CD2-CG 3.56Å; Y288-F294 HydrophobicContact CD2-CG 3.56Å; Y288-F294 AromaticContact CD2-CZ 3.57Å; Y288-F294 HydrophobicContact CD2-CZ 3.57Å; Y288-F294 HydrophobicContact CE2-CD1 4.37Å; Y288-F294 AromaticContact CE2-CD2 3.71Å; Y288-F294 HydrophobicContact CE2-CD2 3.71Å; Y288-F294 HydrophobicContact CE2-CE1 4.36Å; Y288-F294 AromaticContact CE2-CE2 3.71Å; Y288-F294 HydrophobicContact CE2-CE2 3.71Å; Y288-F294 HydrophobicContact CE2-CG 4.04Å; Y288-F294 HydrophobicContact CE2-CZ 4.05Å; Y288-F294 HydrophobicContact CG-CD1 4.21Å; Y288-F294 AromaticContact CG-CE1 3.93Å; Y288-F294 HydrophobicContact CG-CE1 3.93Å; Y288-F294 HydrophobicContact CG-CZ 4.16Å
295P95.6Very high95.2Very high63 Ų6365.7 Ų65.741%0.40936%0.359SS..SBendtrans-74155.917432.7-34000111.1L284L284-P295 HydrophobicContact CD1-CG 3.92Å
296G93.5Very high95.2Very high53 Ų5372.5 Ų72.555%0.54639%0.385SS..SBendtrans103.5177.4170.900000115
297P95.6Very high95.3Very high81 Ų8169.3 Ų69.353%0.52637%0.37SS..  trans-64.5142.3-177.924.9-31.5000111.3F76 A77F76-P297 WeakPolarHBondContact CA-O 3.37Å; A77-P297 PolarHBondContact N-O 2.69Å; A77-P297 WeakPolarHBondContact O-CG 3.43Å
298T96.7Very high95.3Very high77 Ų7768.3 Ų68.347%0.47237%0.367SS..EExtended strand (participates in β ladder)trans-106.9132.8-176.1-66.70000111.1T74 I75 F76T74-T298 HydrophobicContact CG2-CG2 3.16Å; I75-T298 CarbonylContact O-C 3.56Å; I75-T298 WeakPolarHBondContact O-CA 3.39Å; F76-T298 WeakPolarHBondContact CE1-OG1 3.5Å
299I94.9Very high95.4Very high36 Ų3672.1 Ų72.119%0.18539%0.388CS..EExtended strand (participates in β ladder)trans-128.7130.8178.5-61.8164.5000109.1I75 V82I75-I299 HydrophobicContact CB-CB 4.35Å; I75-I299 WeakPolarHBondContact CB-O 3.39Å; I75-I299 PolarHBondContact N-O 3.41Å; I75-I299 PolarHBondContact O-N 3.44Å; V82-I299 HydrophobicContact CB-CD1 4.08Å; V82-I299 HydrophobicContact CG1-CD1 4.28Å; V82-I299 HydrophobicContact CG2-CD1 3.4Å
300K93.7Very high95.6Very high112 Ų11270.7 Ų70.749%0.48738%0.382SS..  trans-116.192.6172.6-71-170.4176.9-168.70108.9E72 T74E72-K300 IonicContact OE2-NZ 2.89Å; E72-K300 PolarHBondContact OE2-NZ 3.24Å; T74-K300 HydrophobicContact CG2-CG 4.23Å; T74-K300 WeakPolarHBondContact OG1-CE 3.38Å
301P89.6Confident95.8Very high21 Ų2165.3 Ų65.314%0.13636%0.358CS..PPolyproline II helixtrans-60.8145.2178.726-34.1000110.2I75 R111 Y112I75-P301 HydrophobicContact CD1-CG 3.76Å; R111-P301 HydrophobicContact CB-CB 4.05Å; R111-P301 HydrophobicContact CB-CG 4.17Å; R111-P301 HydrophobicContact CG-CB 4.09Å; R111-P301 HydrophobicContact CG-CG 3.9Å; R111-P301 PolarHBondContact NH1-O 3.18Å; Y112-P301 HydrophobicContact CE2-CG 4.48Å
302P93.1Very high95.9Very high112 Ų11263.4 Ų63.473%0.72735%0.352SS*.PPolyproline II helixtrans-72.4147.8-178.329.8-35.7000111.8R111R111-P302 WeakPolarHBondContact CD-O 3.41Å; R111-P302 PolarHBondContact NH1-O 3.4Å
303R95.1Very high96.2Very high84 Ų8467.1 Ų67.132%0.31736%0.356SS..PPolyproline II helixtrans-67.4132.7-179.8-65.5-177.3179.5173.8-4.5109.5E66 W67 G70 T71 R111E66-R303 PolarHBondContact O-NH1 3.34Å; E66-R303 PolarHBondContact O-NH2 3.4Å; E66-R303 VanDerWaalsContact O-NH2 3.09Å; W67-R303 HydrophobicContact CH2-CB 3.98Å; W67-R303 HydrophobicContact CZ2-CB 3.51Å; W67-R303 HydrophobicContact CZ2-CG 4.42Å; G70-R303 PolarHBondContact O-NH2 3.29Å; T71-R303 PolarHBondContact O-NH2 2.9Å; R111-R303 VanDerWaalsContact CZ-CA 3.48Å
304R95.3Very high96.3Very high75 Ų7565.8 Ų65.828%0.28334%0.344SS..PPolyproline II helixtrans-83.1127.3173.1-67.4-179.476.6-155.6-1.5108.5E110 W306 T307E110-R304 HydrophobicContact CG-CB 4.44Å; E110-R304 WeakPolarHBondContact O-CD 3.48Å; E110-R304 PolarHBondContact O-NH1 3.28Å; E110-R304 WeakPolarHBondContact OE1-CB 3.21Å; E110-R304 WeakPolarHBondContact OE1-CD 3.33Å; E110-R304 IonicContact OE1-CZ 2.75Å; E110-R304 IonicContact OE1-NE 3.54Å; E110-R304 IonicContact OE1-NH1 3.53Å; E110-R304 PolarHBondContact OE1-NH1 2.94Å; R304-W306 PolarHBondContact O-N 2.84Å; R304-T307 PolarHBondContact O-OG1 3.18Å
305L97.4Very high96.4Very high101 Ų10166.2 Ų66.253%0.52935%0.348SS..THydrogen-bonded Turntrans-66.5-19.9-179-68.2172.5000112.9W67 T307 L308 L309W67-L305 HydrophobicContact CH2-CD2 3.59Å; W67-L305 HydrophobicContact CZ2-CD2 3.88Å; L305-T307 VanDerWaalsContact C-N 3.26Å; L305-T307 PolarHBondContact O-N 3.4Å; L305-L308 WeakPolarHBondContact O-CB 3.22Å; L305-L308 PolarHBondContact O-N 2.78Å; L305-L308 VanDerWaalsContact O-N 3.08Å; L305-L309 HydrophobicContact CB-CD1 4.39Å; L305-L309 WeakPolarHBondContact O-CG 3.32Å; L305-L309 PolarHBondContact O-N 3.31Å
306W97.5Very high96.5Very high147 Ų14767.4 Ų67.456%0.55736%0.355SS*.Hα-helixtrans-56.5-35.7-176.2-56.2119.6000113.8Y55 R304 L309 N310Y55-W306 WeakPolarHBondContact OH-CB 3.33Å; R304-W306 PolarHBondContact O-N 2.84Å; W306-L309 HydrophobicContact CE3-CD1 4.13Å; W306-L309 HydrophobicContact CZ3-CD1 4.27Å; W306-N310 WeakPolarHBondContact O-CB 3.4Å; W306-N310 PolarHBondContact O-N 3.47Å
307T98Very high96.7Very high0 Ų069.2 Ų69.20%035%0.351CS..Hα-helixtrans-67.1-40.4177.760.40000112.1S59 V62 W67 E110 R304 L305 F311S59-T307 WeakPolarHBondContact O-CB 3.31Å; V62-T307 HydrophobicContact CB-CG2 4.28Å; V62-T307 HydrophobicContact CG1-CG2 4.07Å; W67-T307 PolarHBondContact NE1-OG1 2.85Å; W67-T307 VanDerWaalsContact NE1-OG1 3.09Å; E110-T307 HydrophobicContact CG-CG2 3.58Å; R304-T307 PolarHBondContact O-OG1 3.18Å; L305-T307 VanDerWaalsContact C-N 3.26Å; L305-T307 PolarHBondContact O-N 3.4Å; T307-F311 PolarHBondContact O-N 3.01Å; T307-F311 VanDerWaalsContact O-N 3.15Å
308L98.2Very high96.8Very high47 Ų4766.3 Ų66.325%0.24633%0.331CS..Hα-helixtrans-68.4-4817518061.6000111.2M63 W67 L305 N310 F311 L312M63-L308 HydrophobicContact CG-CD1 4.35Å; W67-L308 HydrophobicContact CD2-CB 4.23Å; W67-L308 HydrophobicContact CD2-CD2 4.18Å; W67-L308 HydrophobicContact CE3-CD2 4.08Å; W67-L308 HydrophobicContact CG-CB 4.25Å; W67-L308 HydrophobicContact CZ3-CD2 4.35Å; L305-L308 WeakPolarHBondContact O-CB 3.22Å; L305-L308 PolarHBondContact O-N 2.78Å; L305-L308 VanDerWaalsContact O-N 3.08Å; L308-N310 PolarHBondContact O-N 3.32Å; L308-F311 PolarHBondContact O-N 3.38Å; L308-L312 HydrophobicContact CD1-CD1 4.23Å; L308-L312 HydrophobicContact CD1-CG 4.23Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 HydrophobicContact CG-CG 4.45Å; L308-L312 VanDerWaalsContact O-CG 3.32Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 3.18Å
309L98.6Very high96.8Very high90 Ų9064.1 Ų64.147%0.47132%0.316SS..Hα-helixtrans-61.9-43.1179.8-67176.7000112L305 W306 L312 F313L305-L309 HydrophobicContact CB-CD1 4.39Å; L305-L309 WeakPolarHBondContact O-CG 3.32Å; L305-L309 PolarHBondContact O-N 3.31Å; W306-L309 HydrophobicContact CE3-CD1 4.13Å; W306-L309 HydrophobicContact CZ3-CD1 4.27Å; L309-L312 PolarHBondContact O-N 3Å; L309-F313 WeakPolarHBondContact O-CB 3.3Å; L309-F313 PolarHBondContact O-N 2.99Å
310N98.6Very high96.9Very high29 Ų2965.7 Ų65.716%0.15533%0.328CS..Hα-helixtrans-63.3-41.8176.4-179.570.8000111.6S56 S59 W306 L308 F313 W314S56-N310 PolarHBondContact O-ND2 2.77Å; S56-N310 PolarHBondContact OG-ND2 3.31Å; S56-N310 PolarHBondContact OG-OD1 3.47Å; S59-N310 PolarHBondContact OG-ND2 2.89Å; W306-N310 WeakPolarHBondContact O-CB 3.4Å; W306-N310 PolarHBondContact O-N 3.47Å; L308-N310 PolarHBondContact O-N 3.32Å; N310-F313 PolarHBondContact O-N 2.87Å; N310-W314 VanDerWaalsContact O-CD1 3.24Å; N310-W314 PolarHBondContact O-N 3.35Å; N310-W314 VanDerWaalsContact O-N 3.12Å
311F98.6Very high97Very high24 Ų2464 Ų6411%0.10533%0.328CS..Hα-helixtrans-64.8-44.3174.9179.3-101.1000112.2V17 V20 Q60 M63 T307 L308 F313 W314 A315V17-F311 HydrophobicContact CG2-CZ 4.28Å; V20-F311 HydrophobicContact CB-CE2 4.29Å; V20-F311 HydrophobicContact CG1-CD2 4.24Å; V20-F311 HydrophobicContact CG1-CE2 3.89Å; Q60-F311 HydrophobicContact CB-CD2 4.45Å; Q60-F311 HydrophobicContact CG-CD2 4.3Å; M63-F311 HydrophobicContact CB-CB 4.42Å; M63-F311 HydrophobicContact CE-CB 3.83Å; M63-F311 HydrophobicContact CE-CD1 3.47Å; M63-F311 VanDerWaalsContact CE-CD1 3.47Å; M63-F311 HydrophobicContact CE-CD2 3.34Å; M63-F311 HydrophobicContact CE-CE1 3.78Å; M63-F311 HydrophobicContact CE-CE2 3.65Å; M63-F311 HydrophobicContact CE-CG 3.23Å; M63-F311 HydrophobicContact CE-CZ 3.86Å; M63-F311 HydrophobicContact CG-CB 3.9Å; M63-F311 HydrophobicContact CG-CG 4.31Å; M63-F311 HydrophobicContact SD-CB 4.36Å; M63-F311 HydrophobicContact SD-CD1 4.02Å; M63-F311 HydrophobicContact SD-CG 4.13Å; T307-F311 PolarHBondContact O-N 3.01Å; T307-F311 VanDerWaalsContact O-N 3.15Å; L308-F311 PolarHBondContact O-N 3.38Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 2.9Å; F311-W314 PolarHBondContact O-N 3.16Å; F311-A315 HydrophobicContact CD1-CB 4.49Å; F311-A315 HydrophobicContact CE1-CB 4.22Å; F311-A315 HydrophobicContact CZ-CB 4.46Å; F311-A315 WeakPolarHBondContact O-CB 3.48Å; F311-A315 PolarHBondContact O-N 3.06Å
312L98.6Very high97.1Very high86 Ų8665.5 Ų65.545%0.4533%0.334SS..Hα-helixtrans-61.3-40.6177.6-70.8174.8000111.4L308 L309 A315 T316L308-L312 HydrophobicContact CD1-CD1 4.23Å; L308-L312 HydrophobicContact CD1-CG 4.23Å; L308-L312 HydrophobicContact CG-CD1 4.05Å; L308-L312 HydrophobicContact CG-CG 4.45Å; L308-L312 VanDerWaalsContact O-CG 3.32Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 3.18Å; L309-L312 PolarHBondContact O-N 3Å; L312-A315 PolarHBondContact O-N 3.06Å; L312-T316 WeakPolarHBondContact O-CB 3.32Å; L312-T316 PolarHBondContact O-N 3.42Å; L312-T316 PolarHBondContact O-OG1 3.33Å; L312-T316 VanDerWaalsContact O-OG1 3.07Å
313F98.6Very high97.1Very high119 Ų11964.3 Ų64.352%0.52232%0.322SS..Hα-helixtrans-56.5-53.8173.5168.8-98.9000111.9L309 N310 F311 A315 T316 L317L309-F313 WeakPolarHBondContact O-CB 3.3Å; L309-F313 PolarHBondContact O-N 2.99Å; N310-F313 PolarHBondContact O-N 2.87Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 2.9Å; F313-A315 PolarHBondContact O-N 3.41Å; F313-T316 PolarHBondContact O-N 3.14Å; F313-L317 HydrophobicContact CE1-CD2 4.23Å; F313-L317 HydrophobicContact CZ-CD2 4.08Å; F313-L317 WeakPolarHBondContact O-CB 3.49Å; F313-L317 PolarHBondContact O-N 2.9Å
314W98.6Very high97.1Very high20 Ų2065.6 Ų65.68%0.07634%0.335CS..Hα-helixtrans-65-39.4178.9-76.9116.5000112.6V20 S24 I27 I28 S56 N310 F311 L317 L318V20-W314 HydrophobicContact CG1-CB 3.8Å; S24-W314 VanDerWaalsContact CB-CD2 3.4Å; S24-W314 VanDerWaalsContact CB-CE3 3.47Å; I27-W314 HydrophobicContact CB-CH2 4.39Å; I27-W314 HydrophobicContact CD1-CZ3 4.06Å; I27-W314 HydrophobicContact CG2-CH2 3.99Å; I27-W314 HydrophobicContact CG2-CZ3 4.36Å; I28-W314 HydrophobicContact CD1-CZ2 3.96Å; I28-W314 HydrophobicContact CG1-CH2 4.4Å; I28-W314 HydrophobicContact CG1-CZ2 3.92Å; S56-W314 PolarHBondContact OG-NE1 3.27Å; N310-W314 VanDerWaalsContact O-CD1 3.24Å; N310-W314 PolarHBondContact O-N 3.35Å; N310-W314 VanDerWaalsContact O-N 3.12Å; F311-W314 PolarHBondContact O-N 3.16Å; W314-L317 HydrophobicContact CE3-CD2 4Å; W314-L317 HydrophobicContact CZ3-CD2 3.88Å; W314-L317 PolarHBondContact O-N 3.49Å; W314-L318 HydrophobicContact CE3-CD1 4.02Å; W314-L318 HydrophobicContact CE3-CG 4.3Å; W314-L318 VanDerWaalsContact O-CB 3.27Å; W314-L318 WeakPolarHBondContact O-CB 3.46Å; W314-L318 VanDerWaalsContact O-CG 3.24Å; W314-L318 WeakPolarHBondContact O-CG 3.2Å; W314-L318 PolarHBondContact O-N 2.95Å
315A98.3Very high96.9Very high13 Ų1368.3 Ų68.311%0.10735%0.349CS..Hα-helixtrans-62.6-46.3177.700000111V20 F311 L312 F313 L319V20-A315 HydrophobicContact CG2-CB 4.28Å; F311-A315 HydrophobicContact CD1-CB 4.49Å; F311-A315 HydrophobicContact CE1-CB 4.22Å; F311-A315 HydrophobicContact CZ-CB 4.46Å; F311-A315 WeakPolarHBondContact O-CB 3.48Å; F311-A315 PolarHBondContact O-N 3.06Å; L312-A315 PolarHBondContact O-N 3.06Å; F313-A315 PolarHBondContact O-N 3.41Å; A315-L319 HydrophobicContact CB-CD1 4.23Å; A315-L319 WeakPolarHBondContact O-CA 3.47Å; A315-L319 WeakPolarHBondContact O-CB 3.4Å; A315-L319 VanDerWaalsContact O-CG 3.24Å; A315-L319 WeakPolarHBondContact O-CG 3.38Å; A315-L319 PolarHBondContact O-N 3.05Å
316T98.3Very high96.6Very high89 Ų8964.2 Ų64.255%0.54633%0.33SS..Hα-helixtrans-63.3-49.3175.4-62.10000111.1L312 F313 L318 T320L312-T316 WeakPolarHBondContact O-CB 3.32Å; L312-T316 PolarHBondContact O-N 3.42Å; L312-T316 PolarHBondContact O-OG1 3.33Å; L312-T316 VanDerWaalsContact O-OG1 3.07Å; F313-T316 PolarHBondContact O-N 3.14Å; T316-L318 VanDerWaalsContact C-N 3.27Å; T316-L318 PolarHBondContact O-N 3.33Å; T316-T320 WeakPolarHBondContact O-CB 3.35Å; T316-T320 PolarHBondContact O-N 3.19Å; T316-T320 PolarHBondContact O-OG1 2.88Å
317L98.3Very high96.4Very high91 Ų9160.8 Ų60.848%0.47633%0.328SS..Hα-helixtrans-58.3-39.4-178.2-178.762000112.7F313 W314 P321F313-L317 HydrophobicContact CE1-CD2 4.23Å; F313-L317 HydrophobicContact CZ-CD2 4.08Å; F313-L317 WeakPolarHBondContact O-CB 3.49Å; F313-L317 PolarHBondContact O-N 2.9Å; W314-L317 HydrophobicContact CE3-CD2 4Å; W314-L317 HydrophobicContact CZ3-CD2 3.88Å; W314-L317 PolarHBondContact O-N 3.49Å; L317-P321 VanDerWaalsContact O-CD 3.23Å; L317-P321 WeakPolarHBondContact O-CD 3.36Å; L317-P321 WeakPolarHBondContact O-CG 3.31Å
318L97.8Very high96.1Very high20 Ų2062.8 Ų62.811%0.10535%0.348CS..Hα-helixtrans-97.4-36.9-171.8-60.8176.2000113.5F19 V20 V23 I27 W314 T316 L322F19-L318 HydrophobicContact CE1-CB 4.06Å; V20-L318 HydrophobicContact CG1-CD1 4.42Å; V23-L318 HydrophobicContact CB-CD1 4.07Å; V23-L318 HydrophobicContact CG1-CD1 4.14Å; V23-L318 HydrophobicContact CG1-CD2 3.81Å; I27-L318 HydrophobicContact CD1-CD2 4.05Å; W314-L318 HydrophobicContact CE3-CD1 4.02Å; W314-L318 HydrophobicContact CE3-CG 4.3Å; W314-L318 VanDerWaalsContact O-CB 3.27Å; W314-L318 WeakPolarHBondContact O-CB 3.46Å; W314-L318 VanDerWaalsContact O-CG 3.24Å; W314-L318 WeakPolarHBondContact O-CG 3.2Å; W314-L318 PolarHBondContact O-N 2.95Å; T316-L318 VanDerWaalsContact C-N 3.27Å; T316-L318 PolarHBondContact O-N 3.33Å; L318-L322 WeakPolarHBondContact O-CB 3.45Å
319L96.6Very high95.8Very high31 Ų3161.1 Ų61.116%0.16234%0.339CS..Hα-helixtrans-81.8-31.9-177.4-58.7-179.3000112.3L16 F19 V20 A315 L322 L323L16-L319 HydrophobicContact CB-CD2 4.37Å; L16-L319 HydrophobicContact CD2-CD2 4.01Å; F19-L319 HydrophobicContact CD1-CD2 3.79Å; F19-L319 HydrophobicContact CE1-CD2 4.18Å; V20-L319 HydrophobicContact CG2-CD1 3.96Å; V20-L319 HydrophobicContact CG2-CD2 3.8Å; V20-L319 HydrophobicContact CG2-CG 3.72Å; A315-L319 HydrophobicContact CB-CD1 4.23Å; A315-L319 WeakPolarHBondContact O-CA 3.47Å; A315-L319 WeakPolarHBondContact O-CB 3.4Å; A315-L319 VanDerWaalsContact O-CG 3.24Å; A315-L319 WeakPolarHBondContact O-CG 3.38Å; A315-L319 PolarHBondContact O-N 3.05Å; L319-L322 HydrophobicContact CD2-CD2 4.13Å; L319-L322 PolarHBondContact O-N 3.25Å; L319-L323 HydrophobicContact CB-CD1 4.35Å; L319-L323 VanDerWaalsContact O-CB 3.3Å; L319-L323 WeakPolarHBondContact O-CB 3.32Å; L319-L323 WeakPolarHBondContact O-CG 3.36Å; L319-L323 PolarHBondContact O-N 3.04Å
320T96.4Very high95.4Very high69 Ų6961.6 Ų61.642%0.42334%0.338SS..Hα-helixtrans-57-53.8178.2-65.50000112.9T316 L322 L323 N324T316-T320 WeakPolarHBondContact O-CB 3.35Å; T316-T320 PolarHBondContact O-N 3.19Å; T316-T320 PolarHBondContact O-OG1 2.88Å; T320-L322 VanDerWaalsContact C-N 3.34Å; T320-L322 PolarHBondContact O-N 3.38Å; T320-L323 PolarHBondContact O-N 2.92Å; T320-N324 WeakPolarHBondContact O-CB 3.19Å; T320-N324 VanDerWaalsContact O-CG 3.25Å; T320-N324 PolarHBondContact O-N 3.47Å; T320-N324 PolarHBondContact O-ND2 3.32Å
321P95.7Very high95.2Very high76 Ų7666.2 Ų66.249%0.49437%0.367SS..Hα-helixtrans-65.3-36.1177.124.8-33.7000112.6L317 N324 F325L317-P321 VanDerWaalsContact O-CD 3.23Å; L317-P321 WeakPolarHBondContact O-CD 3.36Å; L317-P321 WeakPolarHBondContact O-CG 3.31Å; P321-N324 PolarHBondContact O-N 2.99Å; P321-F325 WeakPolarHBondContact O-CB 3.3Å; P321-F325 PolarHBondContact O-N 3.45Å
322L92.8Very high94.9Very high52 Ų5268 Ų6827%0.27238%0.382SS..Hα-helixtrans-62.1-47.1177.3178.366.4000111.9L16 F19 L318 L319 T320 F325 A326L16-L322 HydrophobicContact CD2-CD2 4.18Å; F19-L322 HydrophobicContact CD1-CD2 4Å; F19-L322 HydrophobicContact CE1-CD2 3.75Å; F19-L322 HydrophobicContact CE2-CD2 4.4Å; F19-L322 HydrophobicContact CG-CD2 4.43Å; F19-L322 HydrophobicContact CZ-CD2 3.97Å; L318-L322 WeakPolarHBondContact O-CB 3.45Å; L319-L322 HydrophobicContact CD2-CD2 4.13Å; L319-L322 PolarHBondContact O-N 3.25Å; T320-L322 VanDerWaalsContact C-N 3.34Å; T320-L322 PolarHBondContact O-N 3.38Å; L322-F325 PolarHBondContact O-N 3.45Å; L322-A326 WeakPolarHBondContact O-CB 3.44Å; L322-A326 PolarHBondContact O-N 2.92Å
323L93Very high94.6Very high88 Ų8866.4 Ų66.446%0.46139%0.387SS..Hα-helixtrans-68.9-40.9179.3-68.2173.9000111.1L319 T320 F325 A326 C327L319-L323 HydrophobicContact CB-CD1 4.35Å; L319-L323 VanDerWaalsContact O-CB 3.3Å; L319-L323 WeakPolarHBondContact O-CB 3.32Å; L319-L323 WeakPolarHBondContact O-CG 3.36Å; L319-L323 PolarHBondContact O-N 3.04Å; T320-L323 PolarHBondContact O-N 2.92Å; L323-F325 VanDerWaalsContact C-N 3.33Å; L323-F325 PolarHBondContact O-N 2.95Å; L323-A326 PolarHBondContact O-N 3.37Å; L323-C327 WeakPolarHBondContact O-CB 3.41Å; L323-C327 PolarHBondContact O-N 3.45Å; L323-C327 PolarHBondContact O-SG 2.95Å; L323-C327 VanDerWaalsContact O-SG 3.34Å
324N94.2Very high94.4Very high111 Ų11162.6 Ų62.659%0.59438%0.375SS*.Hα-helixtrans-60.2-43.2174.3-76.5-22000111.8T320 P321 G328T320-N324 WeakPolarHBondContact O-CB 3.19Å; T320-N324 VanDerWaalsContact O-CG 3.25Å; T320-N324 PolarHBondContact O-N 3.47Å; T320-N324 PolarHBondContact O-ND2 3.32Å; P321-N324 PolarHBondContact O-N 2.99Å; N324-G328 PolarHBondContact O-N 3.31Å
325F91.9Very high94.1Very high131 Ų13166.2 Ų66.258%0.57540%0.401SS*.Hα-helixtrans-62.2-48.8174.7174.9-99.5000111.7P321 L322 L323 C327 G328 V329 F341P321-F325 WeakPolarHBondContact O-CB 3.3Å; P321-F325 PolarHBondContact O-N 3.45Å; L322-F325 PolarHBondContact O-N 3.45Å; L323-F325 VanDerWaalsContact C-N 3.33Å; L323-F325 PolarHBondContact O-N 2.95Å; F325-C327 PolarHBondContact O-N 3.44Å; F325-G328 PolarHBondContact O-N 3.25Å; F325-G328 VanDerWaalsContact O-N 3.16Å; F325-V329 HydrophobicContact CD1-CG2 4.45Å; F325-V329 HydrophobicContact CE1-CG2 4Å; F325-V329 HydrophobicContact CE2-CG2 4.33Å; F325-V329 HydrophobicContact CZ-CG2 3.93Å; F325-V329 WeakPolarHBondContact O-CG2 3.3Å; F325-V329 PolarHBondContact O-N 3.01Å; F325-F341 HydrophobicContact CD1-CE2 4.43Å; F325-F341 HydrophobicContact CE1-CD2 4.14Å; F325-F341 HydrophobicContact CE1-CE2 4.21Å
326A90.3Very high93.8Very high16 Ų1672.3 Ų72.313%0.13243%0.431CS..Hα-helixtrans-59-47.2178.200000111.4L322 L323 G328 V329 F330 F341L322-A326 WeakPolarHBondContact O-CB 3.44Å; L322-A326 PolarHBondContact O-N 2.92Å; L323-A326 PolarHBondContact O-N 3.37Å; A326-G328 VanDerWaalsContact C-N 3.34Å; A326-G328 PolarHBondContact O-N 2.83Å; A326-V329 WeakPolarHBondContact O-CB 3.33Å; A326-V329 PolarHBondContact O-N 3.45Å; A326-F330 WeakPolarHBondContact O-CD2 3.47Å; A326-F330 PolarHBondContact O-N 2.92Å; A326-F341 HydrophobicContact CB-CE1 4.21Å; A326-F341 HydrophobicContact CB-CE2 4.46Å; A326-F341 HydrophobicContact CB-CZ 3.76Å
327C92.7Very high93.5Very high75 Ų7572.3 Ų72.351%0.50743%0.427SS..Hα-helixtrans-58.7-44.5174.3-73.70000111.7L323 F325 V329 F330 V331L323-C327 WeakPolarHBondContact O-CB 3.41Å; L323-C327 PolarHBondContact O-N 3.45Å; L323-C327 PolarHBondContact O-SG 2.95Å; L323-C327 VanDerWaalsContact O-SG 3.34Å; F325-C327 PolarHBondContact O-N 3.44Å; C327-V329 VanDerWaalsContact C-N 3.31Å; C327-V329 PolarHBondContact O-N 3.47Å; C327-F330 PolarHBondContact O-N 2.81Å; C327-V331 WeakPolarHBondContact O-CB 3.44Å; C327-V331 VanDerWaalsContact O-CG2 3.27Å; C327-V331 WeakPolarHBondContact O-CG2 3.22Å; C327-V331 PolarHBondContact O-N 3.33Å
328G92.6Very high93.1Very high41 Ų4169.9 Ų69.942%0.42341%0.414SS..Hα-helixtrans-58.2-40176.100000113.1N324 F325 A326 S332N324-G328 PolarHBondContact O-N 3.31Å; F325-G328 PolarHBondContact O-N 3.25Å; F325-G328 VanDerWaalsContact O-N 3.16Å; A326-G328 VanDerWaalsContact C-N 3.34Å; A326-G328 PolarHBondContact O-N 2.83Å; G328-S332 WeakPolarHBondContact O-CB 3.34Å; G328-S332 PolarHBondContact O-N 3.22Å
329V91.8Very high92.9Very high12 Ų1272.8 Ų72.87%0.07343%0.433CS..Hα-helixtrans-60.4-47.5174.6169.80000111.2F325 A326 C327 S332 L337 I338 F341F325-V329 HydrophobicContact CD1-CG2 4.45Å; F325-V329 HydrophobicContact CE1-CG2 4Å; F325-V329 HydrophobicContact CE2-CG2 4.33Å; F325-V329 HydrophobicContact CZ-CG2 3.93Å; F325-V329 WeakPolarHBondContact O-CG2 3.3Å; F325-V329 PolarHBondContact O-N 3.01Å; A326-V329 WeakPolarHBondContact O-CB 3.33Å; A326-V329 PolarHBondContact O-N 3.45Å; C327-V329 VanDerWaalsContact C-N 3.31Å; C327-V329 PolarHBondContact O-N 3.47Å; V329-S332 WeakPolarHBondContact O-CB 3.3Å; V329-S332 PolarHBondContact O-N 3.45Å; V329-S332 PolarHBondContact O-OG 3.18Å; V329-L337 HydrophobicContact CG1-CB 4.12Å; V329-L337 WeakPolarHBondContact CG1-O 3.46Å; V329-I338 HydrophobicContact CG1-CG1 4.16Å; V329-F341 HydrophobicContact CG1-CB 3.83Å; V329-F341 HydrophobicContact CG1-CG 4.25Å
330F90.8Very high92.6Very high101 Ų10173.1 Ų73.144%0.44344%0.444SS..Hα-helixtrans-70.5-40.9179.8-70-71.7000112.8A326 C327 S332 G333 I338 F341 L342A326-F330 WeakPolarHBondContact O-CD2 3.47Å; A326-F330 PolarHBondContact O-N 2.92Å; C327-F330 PolarHBondContact O-N 2.81Å; F330-S332 VanDerWaalsContact C-N 3.25Å; F330-S332 PolarHBondContact O-N 2.98Å; F330-G333 PolarHBondContact O-N 3.45Å; F330-I338 HydrophobicContact CD1-CD1 4.42Å; F330-I338 HydrophobicContact CD1-CG1 4.15Å; F330-I338 HydrophobicContact CD1-CG2 4.12Å; F330-I338 HydrophobicContact CE1-CG2 3.87Å; F330-F341 HydrophobicContact CE2-CD1 4.1Å; F330-F341 AromaticContact CE2-CE1 3.94Å; F330-F341 HydrophobicContact CE2-CE1 3.94Å; F330-F341 HydrophobicContact CZ-CD1 4.08Å; F330-F341 HydrophobicContact CZ-CE1 4.23Å; F330-L342 HydrophobicContact CZ-CD2 4.36Å
331V94.2Very high92.2Very high126 Ų12671.6 Ų71.676%0.76443%0.431SS*.Hα-helixtrans-66.3-28.4178.1171.30000111.7C327 G333C327-V331 WeakPolarHBondContact O-CB 3.44Å; C327-V331 VanDerWaalsContact O-CG2 3.27Å; C327-V331 WeakPolarHBondContact O-CG2 3.22Å; C327-V331 PolarHBondContact O-N 3.33Å; V331-G333 PolarHBondContact O-N 2.86Å
332S92.6Very high91.9Very high60 Ų6071.9 Ų71.942%0.4243%0.428SS..THydrogen-bonded Turntrans-57.9-21.9176.678.40000113.6G328 V329 F330 S334G328-S332 WeakPolarHBondContact O-CB 3.34Å; G328-S332 PolarHBondContact O-N 3.22Å; V329-S332 WeakPolarHBondContact O-CB 3.3Å; V329-S332 PolarHBondContact O-N 3.45Å; V329-S332 PolarHBondContact O-OG 3.18Å; F330-S332 VanDerWaalsContact C-N 3.25Å; F330-S332 PolarHBondContact O-N 2.98Å; S332-S334 PolarHBondContact O-N 3.31Å; S332-S334 PolarHBondContact OG-N 3.15Å
333G90.4Very high91.7Very high53 Ų5373.6 Ų73.655%0.54644%0.437SS..  trans65.10.7-176.100000114.2F330 V331 P335F330-G333 PolarHBondContact O-N 3.45Å; V331-G333 PolarHBondContact O-N 2.86Å; G333-P335 WeakPolarHBondContact O-CD 3.35Å
334S94.4Very high91.4Very high39 Ų3976 Ų7627%0.27344%0.444SS..  trans-74.5113.4-177.9175.40000110.4S332 L336 L337 I338S332-S334 PolarHBondContact O-N 3.31Å; S332-S334 PolarHBondContact OG-N 3.15Å; S334-L336 PolarHBondContact O-N 3.26Å; S334-L337 PolarHBondContact O-N 3.28Å; S334-L337 PolarHBondContact OG-N 3.4Å; S334-I338 WeakPolarHBondContact O-CG1 3.46Å; S334-I338 PolarHBondContact O-N 3.26Å; S334-I338 VanDerWaalsContact O-N 3.07Å
335P92.4Very high90.9Very high97 Ų9773.2 Ų73.263%0.6343%0.432SS*.Hα-helixtrans-60.1-34.3180-23.935.7000112G333 V339G333-P335 WeakPolarHBondContact O-CD 3.35Å; P335-V339 VanDerWaalsContact O-CB 3.29Å; P335-V339 WeakPolarHBondContact O-CB 3.34Å; P335-V339 WeakPolarHBondContact O-CG2 3.4Å; P335-V339 PolarHBondContact O-N 3.44Å
336L93.6Very high90.5Very high140 Ų14071.8 Ų71.873%0.73343%0.429SS*.Hα-helixtrans-64.3-46.7178.8-178.164.9000112S334 G340S334-L336 PolarHBondContact O-N 3.26Å; L336-G340 PolarHBondContact O-N 3.44Å
337L90.8Very high90.2Very high90 Ų9076 Ų7647%0.47145%0.449SS..Hα-helixtrans-67.7-41179.8-67.4178.9000111.4V329 S334 G340 F341V329-L337 HydrophobicContact CG1-CB 4.12Å; V329-L337 WeakPolarHBondContact CG1-O 3.46Å; S334-L337 PolarHBondContact O-N 3.28Å; S334-L337 PolarHBondContact OG-N 3.4Å; L337-G340 PolarHBondContact O-N 2.85Å; L337-F341 VanDerWaalsContact O-CB 3.31Å; L337-F341 WeakPolarHBondContact O-CB 3.48Å; L337-F341 PolarHBondContact O-N 3.24Å
338I91Very high89.5Confident39 Ų3974.2 Ų74.220%0.244%0.44CS..Hα-helixtrans-64.2-50.7178.3-66.8168.2000110.4V329 F330 S334 G340 F341 L342V329-I338 HydrophobicContact CG1-CG1 4.16Å; F330-I338 HydrophobicContact CD1-CD1 4.42Å; F330-I338 HydrophobicContact CD1-CG1 4.15Å; F330-I338 HydrophobicContact CD1-CG2 4.12Å; F330-I338 HydrophobicContact CE1-CG2 3.87Å; S334-I338 WeakPolarHBondContact O-CG1 3.46Å; S334-I338 PolarHBondContact O-N 3.26Å; S334-I338 VanDerWaalsContact O-N 3.07Å; I338-G340 VanDerWaalsContact C-N 3.34Å; I338-G340 PolarHBondContact O-N 3.27Å; I338-F341 PolarHBondContact O-N 2.9Å; I338-L342 HydrophobicContact CG2-CD1 4.04Å; I338-L342 HydrophobicContact CG2-CG 4.49Å; I338-L342 VanDerWaalsContact O-CG 3.3Å; I338-L342 WeakPolarHBondContact O-CG 3.36Å; I338-L342 PolarHBondContact O-N 3.45Å
339V91.9Very high88.7Confident81 Ų8173.5 Ų73.549%0.49143%0.428SS..Hα-helixtrans-61.8-43.8178.2170.80000110.7P335 F341 L342 I343P335-V339 VanDerWaalsContact O-CB 3.29Å; P335-V339 WeakPolarHBondContact O-CB 3.34Å; P335-V339 WeakPolarHBondContact O-CG2 3.4Å; P335-V339 PolarHBondContact O-N 3.44Å; V339-F341 PolarHBondContact O-N 2.92Å; V339-L342 PolarHBondContact O-N 3.16Å; V339-I343 HydrophobicContact CG1-CD1 3.69Å; V339-I343 HydrophobicContact CG1-CG1 4.34Å; V339-I343 WeakPolarHBondContact O-CB 3.48Å; V339-I343 VanDerWaalsContact O-CG1 3.27Å; V339-I343 WeakPolarHBondContact O-CG1 3.47Å; V339-I343 PolarHBondContact O-N 3.3Å
340G90.5Very high88.1Confident38 Ų3877 Ų7739%0.39245%0.446SS..Hα-helixtrans-58.9-45.1176.300000112.9L336 L337 I338 I343 F344L336-G340 PolarHBondContact O-N 3.44Å; L337-G340 PolarHBondContact O-N 2.85Å; I338-G340 VanDerWaalsContact C-N 3.34Å; I338-G340 PolarHBondContact O-N 3.27Å; G340-I343 PolarHBondContact O-N 2.91Å; G340-F344 WeakPolarHBondContact O-CB 3.09Å; G340-F344 PolarHBondContact O-N 2.85Å
341F89Confident87.3Confident37 Ų3774.4 Ų74.416%0.16244%0.443CS..Hα-helixtrans-65.8-40.7177.4179.5-104.7000112.6F325 A326 V329 F330 L337 I338 V339 F344 C345F325-F341 HydrophobicContact CD1-CE2 4.43Å; F325-F341 HydrophobicContact CE1-CD2 4.14Å; F325-F341 HydrophobicContact CE1-CE2 4.21Å; A326-F341 HydrophobicContact CB-CE1 4.21Å; A326-F341 HydrophobicContact CB-CE2 4.46Å; A326-F341 HydrophobicContact CB-CZ 3.76Å; V329-F341 HydrophobicContact CG1-CB 3.83Å; V329-F341 HydrophobicContact CG1-CG 4.25Å; F330-F341 HydrophobicContact CE2-CD1 4.1Å; F330-F341 AromaticContact CE2-CE1 3.94Å; F330-F341 HydrophobicContact CE2-CE1 3.94Å; F330-F341 HydrophobicContact CZ-CD1 4.08Å; F330-F341 HydrophobicContact CZ-CE1 4.23Å; L337-F341 VanDerWaalsContact O-CB 3.31Å; L337-F341 WeakPolarHBondContact O-CB 3.48Å; L337-F341 PolarHBondContact O-N 3.24Å; I338-F341 PolarHBondContact O-N 2.9Å; V339-F341 PolarHBondContact O-N 2.92Å; F341-F344 PolarHBondContact O-N 3.23Å; F341-C345 PolarHBondContact O-N 2.88Å; F341-C345 PolarHBondContact O-SG 3.29Å
342L88.2Confident86.2Confident82 Ų8271 Ų7143%0.42942%0.422SS..Hα-helixtrans-64.6-43.5176-70175.1000111.5F330 I338 V339 F344 C345 I346F330-L342 HydrophobicContact CZ-CD2 4.36Å; I338-L342 HydrophobicContact CG2-CD1 4.04Å; I338-L342 HydrophobicContact CG2-CG 4.49Å; I338-L342 VanDerWaalsContact O-CG 3.3Å; I338-L342 WeakPolarHBondContact O-CG 3.36Å; I338-L342 PolarHBondContact O-N 3.45Å; V339-L342 PolarHBondContact O-N 3.16Å; L342-F344 VanDerWaalsContact C-N 3.34Å; L342-F344 PolarHBondContact O-N 3.34Å; L342-C345 PolarHBondContact O-N 3.35Å; L342-I346 VanDerWaalsContact O-CG1 3.27Å; L342-I346 WeakPolarHBondContact O-CG1 3.49Å; L342-I346 PolarHBondContact O-N 3.45Å
343I89.2Confident85.1Confident89 Ų8974.8 Ų74.846%0.45643%0.427SS..Hα-helixtrans-60-46.3174.5-70.1168.6000110.2V339 G340 C345 I346 I347V339-I343 HydrophobicContact CG1-CD1 3.69Å; V339-I343 HydrophobicContact CG1-CG1 4.34Å; V339-I343 WeakPolarHBondContact O-CB 3.48Å; V339-I343 VanDerWaalsContact O-CG1 3.27Å; V339-I343 WeakPolarHBondContact O-CG1 3.47Å; V339-I343 PolarHBondContact O-N 3.3Å; G340-I343 PolarHBondContact O-N 2.91Å; I343-C345 PolarHBondContact O-N 3.02Å; I343-I346 PolarHBondContact O-N 2.83Å; I343-I347 HydrophobicContact CG2-CD1 3.68Å; I343-I347 HydrophobicContact CG2-CG1 4.33Å; I343-I347 WeakPolarHBondContact O-CG1 3.46Å; I343-I347 PolarHBondContact O-N 2.88Å
344F86.6Confident84Confident138 Ų13880.9 Ų80.961%0.60543%0.433SS*.Hα-helixtrans-57.5-47.3176174.1-97.6000111.9G340 F341 L342 I346 I347 A348G340-F344 WeakPolarHBondContact O-CB 3.09Å; G340-F344 PolarHBondContact O-N 2.85Å; F341-F344 PolarHBondContact O-N 3.23Å; L342-F344 VanDerWaalsContact C-N 3.34Å; L342-F344 PolarHBondContact O-N 3.34Å; F344-I346 VanDerWaalsContact C-N 3.32Å; F344-I346 PolarHBondContact O-N 3.29Å; F344-I347 PolarHBondContact O-N 3.15Å; F344-A348 WeakPolarHBondContact O-CB 3.31Å; F344-A348 PolarHBondContact O-N 3.34Å
345C83.8Confident82.3Confident52 Ų5284.9 Ų84.935%0.35145%0.451SS..Hα-helixtrans-60.2-40.7177.1-69.40000112.4F341 L342 I343 S349F341-C345 PolarHBondContact O-N 2.88Å; F341-C345 PolarHBondContact O-SG 3.29Å; L342-C345 PolarHBondContact O-N 3.35Å; I343-C345 PolarHBondContact O-N 3.02Å; C345-S349 VanDerWaalsContact O-CB 3.22Å; C345-S349 WeakPolarHBondContact O-CB 3.27Å; C345-S349 PolarHBondContact O-N 3.04Å
346I84.1Confident80.6Confident101 Ų10184.4 Ų84.452%0.51844%0.442SS..Hα-helixtrans-64.6-47.4176.7-69.4165.1000110.4L342 I343 F344 S349 I350L342-I346 VanDerWaalsContact O-CG1 3.27Å; L342-I346 WeakPolarHBondContact O-CG1 3.49Å; L342-I346 PolarHBondContact O-N 3.45Å; I343-I346 PolarHBondContact O-N 2.83Å; F344-I346 VanDerWaalsContact C-N 3.32Å; F344-I346 PolarHBondContact O-N 3.29Å; I346-S349 WeakPolarHBondContact O-CB 3.49Å; I346-S349 PolarHBondContact O-N 3.22Å; I346-I350 HydrophobicContact CG2-CD1 3.8Å; I346-I350 HydrophobicContact CG2-CG1 4.5Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.33Å; I346-I350 PolarHBondContact O-N 2.93Å
347I84.2Confident78.6Confident105 Ų10580.6 Ų80.654%0.53843%0.427SS..Hα-helixtrans-61.7-46.8178.5-67.9169.9000110.5I343 F344 S349 I350 A351I343-I347 HydrophobicContact CG2-CD1 3.68Å; I343-I347 HydrophobicContact CG2-CG1 4.33Å; I343-I347 WeakPolarHBondContact O-CG1 3.46Å; I343-I347 PolarHBondContact O-N 2.88Å; F344-I347 PolarHBondContact O-N 3.15Å; I347-S349 VanDerWaalsContact C-N 3.33Å; I347-S349 PolarHBondContact O-N 3.46Å; I347-I350 PolarHBondContact O-N 3.12Å; I347-A351 WeakPolarHBondContact O-CB 3.49Å; I347-A351 PolarHBondContact O-N 3.32Å
348A76.9Confident76.6Confident38 Ų3881.2 Ų81.231%0.31444%0.435SS..Hα-helixtrans-59.7-44177.200000111.4F344 A351 V352F344-A348 WeakPolarHBondContact O-CB 3.31Å; F344-A348 PolarHBondContact O-N 3.34Å; A348-A351 PolarHBondContact O-N 3.46Å; A348-V352 WeakPolarHBondContact O-CB 3.27Å; A348-V352 WeakPolarHBondContact O-CG2 3.39Å; A348-V352 PolarHBondContact O-N 3.26Å
349S76.3Confident74.2Confident25 Ų2583.2 Ų83.218%0.17545%0.452CS..Hα-helixtrans-59.5-45.7174.8172.80000112.4F11 C345 I346 I347 V352 R353F11-S349 WeakPolarHBondContact CE1-OG 3.5Å; C345-S349 VanDerWaalsContact O-CB 3.22Å; C345-S349 WeakPolarHBondContact O-CB 3.27Å; C345-S349 PolarHBondContact O-N 3.04Å; I346-S349 WeakPolarHBondContact O-CB 3.49Å; I346-S349 PolarHBondContact O-N 3.22Å; I347-S349 VanDerWaalsContact C-N 3.33Å; I347-S349 PolarHBondContact O-N 3.46Å; S349-V352 PolarHBondContact O-N 3.22Å; S349-R353 WeakPolarHBondContact O-CB 3.27Å; S349-R353 VanDerWaalsContact O-CG 3.3Å; S349-R353 WeakPolarHBondContact O-CG 3.47Å; S349-R353 PolarHBondContact O-N 2.9Å
350I80.1Confident71.8Confident87 Ų8785 Ų8545%0.44646%0.455SS..Hα-helixtrans-64.5-43.8177.2-67.8166.6000110.8I346 I347 R353 R354I346-I350 HydrophobicContact CG2-CD1 3.8Å; I346-I350 HydrophobicContact CG2-CG1 4.5Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.33Å; I346-I350 PolarHBondContact O-N 2.93Å; I347-I350 PolarHBondContact O-N 3.12Å; I350-R353 PolarHBondContact O-N 3.3Å; I350-R354 PolarHBondContact O-N 3.48Å
351A73.9Confident69.6Low46 Ų4686.5 Ų86.538%0.3846%0.457SS..Hα-helixtrans-60.9-47.1178.300000111.1I347 A348 R353 R354 L355I347-A351 WeakPolarHBondContact O-CB 3.49Å; I347-A351 PolarHBondContact O-N 3.32Å; A348-A351 PolarHBondContact O-N 3.46Å; A351-R353 PolarHBondContact O-N 3.45Å; A351-R354 PolarHBondContact O-N 3.01Å; A351-L355 WeakPolarHBondContact O-CG 3.3Å; A351-L355 PolarHBondContact O-N 2.94Å
352V70.2Confident67.1Low53 Ų5392.4 Ų92.432%0.32149%0.49SS..Hα-helixtrans-61.6-44.6176.11710000111.2L15 A348 S349 R354 L355 I356L15-V352 HydrophobicContact CD2-CB 4.22Å; L15-V352 HydrophobicContact CD2-CG1 3.84Å; L15-V352 HydrophobicContact CD2-CG2 4.33Å; A348-V352 WeakPolarHBondContact O-CB 3.27Å; A348-V352 WeakPolarHBondContact O-CG2 3.39Å; A348-V352 PolarHBondContact O-N 3.26Å; S349-V352 PolarHBondContact O-N 3.22Å; V352-R354 VanDerWaalsContact C-N 3.31Å; V352-R354 PolarHBondContact O-N 2.96Å; V352-L355 PolarHBondContact O-N 3.2Å; V352-I356 HydrophobicContact CG1-CD1 3.76Å; V352-I356 HydrophobicContact CG1-CG1 4.39Å; V352-I356 VanDerWaalsContact O-CG1 3.31Å; V352-I356 WeakPolarHBondContact O-CG1 3.36Å; V352-I356 PolarHBondContact O-N 3.29Å
353R70.5Confident64.5Low140 Ų14097.2 Ų97.253%0.52851%0.507SS..Hα-helixtrans-61.1-38.7176.5-74.3176.1-176.4-126-1.7112.6F11 S349 I350 A351 S357F11-R353 HydrophobicContact CE2-CG 4.37Å; F11-R353 HydrophobicContact CZ-CG 3.9Å; S349-R353 WeakPolarHBondContact O-CB 3.27Å; S349-R353 VanDerWaalsContact O-CG 3.3Å; S349-R353 WeakPolarHBondContact O-CG 3.47Å; S349-R353 PolarHBondContact O-N 2.9Å; I350-R353 PolarHBondContact O-N 3.3Å; A351-R353 PolarHBondContact O-N 3.45Å; R353-S357 PolarHBondContact O-N 2.94Å
354R67.7Low62.3Low181 Ų18197.1 Ų97.168%0.68351%0.511SS*.Hα-helixtrans-68.3-39.3174.2-78-170.4174.5-1780.1112.4I350 A351 V352 I356 S357 V358I350-R354 PolarHBondContact O-N 3.48Å; A351-R354 PolarHBondContact O-N 3.01Å; V352-R354 VanDerWaalsContact C-N 3.31Å; V352-R354 PolarHBondContact O-N 2.96Å; R354-I356 VanDerWaalsContact C-N 3.33Å; R354-S357 PolarHBondContact O-N 3.43Å; R354-S357 PolarHBondContact O-OG 2.91Å; R354-S357 VanDerWaalsContact O-OG 3.04Å; R354-V358 VanDerWaalsContact O-CG2 3.27Å; R354-V358 WeakPolarHBondContact O-CG2 3.29Å; R354-V358 PolarHBondContact O-N 3.49Å; R354-V358 VanDerWaalsContact O-N 3.11Å
355L58.1Low60.3Low124 Ų12493.2 Ų93.265%0.64951%0.51SS*.Hα-helixtrans-63.3-41.6175.3-72.6170.1000111.2A351 V352 V358 S359A351-L355 WeakPolarHBondContact O-CG 3.3Å; A351-L355 PolarHBondContact O-N 2.94Å; V352-L355 PolarHBondContact O-N 3.2Å; L355-V358 PolarHBondContact O-N 3.19Å; L355-S359 PolarHBondContact O-N 2.94Å
356I56.6Low58.8Low86 Ų8692 Ų9244%0.44150%0.502SS..Hα-helixtrans-64.5-44175.6-65.7166.7000110.8V352 R354 V358 S359 E360V352-I356 HydrophobicContact CG1-CD1 3.76Å; V352-I356 HydrophobicContact CG1-CG1 4.39Å; V352-I356 VanDerWaalsContact O-CG1 3.31Å; V352-I356 WeakPolarHBondContact O-CG1 3.36Å; V352-I356 PolarHBondContact O-N 3.29Å; R354-I356 VanDerWaalsContact C-N 3.33Å; I356-V358 VanDerWaalsContact C-N 3.27Å; I356-V358 PolarHBondContact O-N 3.31Å; I356-S359 WeakPolarHBondContact O-CA 3.2Å; I356-S359 WeakPolarHBondContact O-CB 3.2Å; I356-S359 PolarHBondContact O-N 3.34Å; I356-S359 PolarHBondContact O-OG 2.91Å; I356-E360 PolarHBondContact O-N 2.9Å
357S51.7Low57.5Low60 Ų6091.6 Ų91.642%0.4250%0.504SS..Hα-helixtrans-66.2-27.6179.675.40000113.7R353 R354 S359 E360R353-S357 PolarHBondContact O-N 2.94Å; R354-S357 PolarHBondContact O-N 3.43Å; R354-S357 PolarHBondContact O-OG 2.91Å; R354-S357 VanDerWaalsContact O-OG 3.04Å; S357-S359 VanDerWaalsContact C-N 3.28Å; S357-E360 PolarHBondContact O-N 3.21Å
358V48.4Very low55.8Low103 Ų10387.6 Ų87.662%0.62448%0.482SS*.Hα-helixtrans-71.1-25.5172174.40000111.7R354 L355 I356R354-V358 VanDerWaalsContact O-CG2 3.27Å; R354-V358 WeakPolarHBondContact O-CG2 3.29Å; R354-V358 PolarHBondContact O-N 3.49Å; R354-V358 VanDerWaalsContact O-N 3.11Å; L355-V358 PolarHBondContact O-N 3.19Å; I356-V358 VanDerWaalsContact C-N 3.27Å; I356-V358 PolarHBondContact O-N 3.31Å
359S41.4Very low54.6Low81 Ų8187.8 Ų87.857%0.56649%0.488SS*.Hα-helixtrans-83.6-8.817774.20000114.5L355 I356 S357L355-S359 PolarHBondContact O-N 2.94Å; I356-S359 WeakPolarHBondContact O-CA 3.2Å; I356-S359 WeakPolarHBondContact O-CB 3.2Å; I356-S359 PolarHBondContact O-N 3.34Å; I356-S359 PolarHBondContact O-OG 2.91Å; S357-S359 VanDerWaalsContact C-N 3.28Å
360E39.9Very low53.1Low119 Ų11994.2 Ų94.256%0.55651%0.513SS*.SBendtrans-65136.5179.8-74.9-176.717400113I356 S357 N362 K363I356-E360 PolarHBondContact O-N 2.9Å; S357-E360 PolarHBondContact O-N 3.21Å; E360-N362 PolarHBondContact O-N 2.94Å; E360-K363 PolarHBondContact O-N 3.05Å
361V44.8Very low51.2Low70 Ų7098.7 Ų98.742%0.42453%0.534SS..G310 helixtrans-60.3-19.3-161.5176.20000114.7K363 T364V361-K363 PolarHBondContact O-N 2.83Å; V361-K363 VanDerWaalsContact O-N 3.15Å; V361-T364 PolarHBondContact O-N 3.18Å
362N37.5Very low49.7Very low161 Ų161105.2 Ų105.286%0.86156%0.557SS**G310 helixtrans-67.3-15.4-176.7-71.9-22.7000114.2E360E360-N362 PolarHBondContact O-N 2.94Å
363K33.8Very low48Very low183 Ų183105.9 Ų105.980%0.79657%0.574SS**G310 helixtrans-106.4-11.2179.8-70.7-177.9179.3176.10115E360 V361E360-K363 PolarHBondContact O-N 3.05Å; V361-K363 PolarHBondContact O-N 2.83Å; V361-K363 VanDerWaalsContact O-N 3.15Å
364T41.1Very low46.1Very low87 Ų87108.4 Ų108.453%0.53459%0.589SS.*SBendtrans-112.717.8-17251.70000113.7V361 S366V361-T364 PolarHBondContact O-N 3.18Å; T364-S366 PolarHBondContact O-N 3.38Å
365G44.8Very low44.4Very low56 Ų56109 Ų10958%0.57760%0.597SS**  trans-57.3133.6178.700000113.6
366S53.8Low43.2Very low27 Ų27111.6 Ų111.619%0.18961%0.605CS.*  trans-64.1138.5168.5-174.30000110.9R146 T364 Y368R146-S366 PolarHBondContact NH1-OG 3.45Å; T364-S366 PolarHBondContact O-N 3.38Å; S366-Y368 PolarHBondContact O-N 2.64Å
367T55.8Low42.1Very low91 Ų91118.3 Ų118.356%0.55864%0.643SS**  trans-73.339.4171.748.70000112.4G369 K370T367-G369 PolarHBondContact O-N 3.26Å; T367-K370 HydrophobicContact CG2-CD 4.26Å; T367-K370 PolarHBondContact O-N 3.25Å
368Y47.8Very low41.6Very low21 Ų21121.3 Ų121.38%0.08265%0.654CS.*THydrogen-bonded Turntrans-56.8114.3-176-173.3-90.6000110.5T178 K184 I187 S188 L204 S366 K370T178-Y368 HydrophobicContact CG2-CD2 3.31Å; T178-Y368 HydrophobicContact CG2-CE2 3.8Å; T178-Y368 HydrophobicContact CG2-CG 3.75Å; K184-Y368 HydrophobicContact CB-CD1 4Å; K184-Y368 HydrophobicContact CB-CE1 4.43Å; K184-Y368 HydrophobicContact CG-CD1 4.16Å; K184-Y368 HydrophobicContact CG-CG 4.45Å; I187-Y368 HydrophobicContact CG2-CD1 4.48Å; S188-Y368 PolarHBondContact OG-OH 2.99Å; L204-Y368 HydrophobicContact CD1-CE1 4.44Å; L204-Y368 HydrophobicContact CD1-CE2 4.35Å; S366-Y368 PolarHBondContact O-N 2.64Å; Y368-K370 VanDerWaalsContact C-N 3.32Å; Y368-K370 PolarHBondContact O-N 3.49Å
369G52Low41.2Very low43 Ų43122.2 Ų122.244%0.44366%0.655SS.*THydrogen-bonded Turntrans68.818.317700000116.1T367 M371T367-G369 PolarHBondContact O-N 3.26Å; G369-M371 PolarHBondContact O-N 3.38Å
370K46.1Very low41.2Very low160 Ų160124.5 Ų124.570%0.69666%0.66SS**  trans-69.8112.6161.2-76.3-169.3176.3-174.40108T367 Y368 E372T367-K370 HydrophobicContact CG2-CD 4.26Å; T367-K370 PolarHBondContact O-N 3.25Å; Y368-K370 VanDerWaalsContact C-N 3.32Å; Y368-K370 PolarHBondContact O-N 3.49Å; K370-E372 PolarHBondContact O-N 3.22Å
371M40.3Very low41.3Very low181 Ų181124.8 Ų124.889%0.89267%0.666SS**PPolyproline II helixtrans-56.6123.1161.2-65.5-167-135.100107G369 G373G369-M371 PolarHBondContact O-N 3.38Å; M371-G373 PolarHBondContact O-N 3.49Å; M371-G373 VanDerWaalsContact O-N 3.12Å
372E40.7Very low41.1Very low182 Ų182128.3 Ų128.385%0.8568%0.681SS**PPolyproline II helixtrans-55.5120.9165.8-73.3-175.7159.400106.4K370 K374K370-E372 PolarHBondContact O-N 3.22Å; E372-K374 PolarHBondContact O-N 3.22Å
373G34.8Very low41.3Very low67 Ų67126.1 Ų126.169%0.69167%0.669SS**PPolyproline II helixtrans-50.5131.1-173.900000109.9M371 K375M371-G373 PolarHBondContact O-N 3.49Å; M371-G373 VanDerWaalsContact O-N 3.12Å; G373-K375 PolarHBondContact O-N 3.07Å
374K30.8Very low41.8Very low193 Ų193122 Ų12284%0.83966%0.66SS**  trans-44.1116.5159.3-81.5178.2172.41790106.5E372 E376E372-K374 PolarHBondContact O-N 3.22Å; K374-E376 PolarHBondContact O-N 2.9Å
375K33Very low41.9Very low193 Ų193124.7 Ų124.784%0.83967%0.67SS**  trans-62.797.5156.9-76.5-177.9175.6-178.80104.8G373 N377G373-K375 PolarHBondContact O-N 3.07Å; K375-N377 PolarHBondContact O-N 3.46Å
376E31.3Very low41.7Very low179 Ų179130.4 Ų130.484%0.83668%0.678SS**  trans-67.1116.5157.3-73.4-179166.700105.3K374K374-E376 PolarHBondContact O-N 2.9Å
377N33.5Very low40.6Very low228 Ų228139.8 Ų139.8100%1.21972%0.722SS**  trans-66.70176.3-77.7-23.6000111K375K375-N377 PolarHBondContact O-N 3.46Å

Retrieved 377 of 377 residues in 2635.5 ms (Link to these results)

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