A0A087XL22_POEFO Loading...

tRNA (uracil-O(2)-)-methyltransferase

Adenosyl-L-methionine (AdoMet)-dependent tRNA (uracil-O(2)-)-methyltransferase.

AlphaFold DB , UniProt , Accession A0A087XL22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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
1M63.1Low86.4Confident92 Ų9267.4 Ų67.445%0.45337%0.373SS..  0123.10-70.1145.7-175.100108.7D71 Q74 F75 L165M1-D71 WeakPolarHBondContact CE-O 3.48Å; M1-Q74 HydrophobicContact CE-CB 4.28Å; M1-F75 HydrophobicContact CB-CD2 3.92Å; M1-F75 HydrophobicContact CB-CE2 4.11Å; M1-F75 HydrophobicContact CE-CB 3.78Å; M1-F75 HydrophobicContact CG-CD2 3.89Å; M1-F75 HydrophobicContact CG-CE2 4.46Å; M1-F75 WeakPolarHBondContact SD-CA 3.23Å; M1-F75 HydrophobicContact SD-CB 3.47Å; M1-F75 WeakPolarHBondContact SD-CB 3.24Å; M1-F75 HydrophobicContact SD-CD2 3.36Å; M1-F75 WeakPolarHBondContact SD-CD2 3.32Å; M1-F75 HydrophobicContact SD-CE2 4.41Å; M1-F75 HydrophobicContact SD-CG 3.81Å; M1-L165 HydrophobicContact CE-CD1 3.32Å; M1-L165 HydrophobicContact CG-CD1 4.18Å; M1-L165 WeakPolarHBondContact CG-O 3.35Å; M1-L165 HydrophobicContact SD-CD1 4.06Å
2P80.3Confident85.3Confident50 Ų5064.7 Ų64.733%0.32537%0.372SS..  trans-81.9130.8-168.729.4-33.5000112.8I4 V164P2-I4 HydrophobicContact CB-CD1 4.09Å; P2-I4 HydrophobicContact CG-CD1 4Å; P2-I4 PolarHBondContact O-N 2.97Å; P2-V164 WeakPolarHBondContact CD-O 3.45Å; P2-V164 HydrophobicContact CG-CG2 3.85Å; P2-V164 PolarHBondContact O-N 2.93Å
3K88.6Confident84.9Confident87 Ų8761.2 Ų61.238%0.37835%0.353SS..EExtended strand (participates in β ladder)trans-64.3119155.6-180175.3170.1175.10107.8E6 E161K3-E6 WeakPolarHBondContact CE-OE2 3.39Å; K3-E6 IonicContact NZ-OE2 3.53Å; K3-E6 PolarHBondContact NZ-OE2 3.19Å; K3-E161 WeakPolarHBondContact CE-OE1 3.47Å; K3-E161 IonicContact NZ-OE1 2.86Å; K3-E161 PolarHBondContact NZ-OE1 2.93Å
4I91.8Very high84.8Confident57 Ų5771.4 Ų71.429%0.29239%0.391SS..EExtended strand (participates in β ladder)trans-91.6-40.7-176.7-62.2-58.4000111.3P2 L162 V164 L180P2-I4 HydrophobicContact CB-CD1 4.09Å; P2-I4 HydrophobicContact CG-CD1 4Å; P2-I4 PolarHBondContact O-N 2.97Å; I4-L162 HydrophobicContact CB-CD2 4.46Å; I4-L162 HydrophobicContact CB-CG 4.47Å; I4-L162 HydrophobicContact CG2-CD2 4.41Å; I4-L162 PolarHBondContact N-O 3.05Å; I4-V164 HydrophobicContact CD1-CG2 3.7Å; I4-V164 HydrophobicContact CG1-CB 4.33Å; I4-V164 HydrophobicContact CG1-CG1 3.94Å; I4-V164 HydrophobicContact CG1-CG2 3.61Å; I4-L180 HydrophobicContact CD1-CD2 4.3Å; I4-L180 HydrophobicContact CG1-CD1 4.33Å; I4-L180 HydrophobicContact CG2-CD1 4.23Å; I4-L180 HydrophobicContact CG2-CG 4.28Å
5S93.1Very high84.9Confident24 Ų2467.9 Ų67.917%0.16837%0.374CS..EExtended strand (participates in β ladder)trans-158.5163.9-179.557.40000111.4L162 S184S5-L162 PolarHBondContact N-O 2.75Å; S5-L162 PolarHBondContact O-N 3.33Å; S5-S184 WeakPolarHBondContact CB-OG 3.4Å; S5-S184 WeakPolarHBondContact OG-CB 3.07Å; S5-S184 PolarHBondContact OG-OG 3.44Å
6E93.9Very high85.1Confident79 Ų7964.8 Ų64.837%0.36936%0.357SS..EExtended strand (participates in β ladder)trans-135.9156167.974.6-179.2-97.700110.5K3 K153 L160 E161K3-E6 WeakPolarHBondContact CE-OE2 3.39Å; K3-E6 IonicContact NZ-OE2 3.53Å; K3-E6 PolarHBondContact NZ-OE2 3.19Å; E6-K153 WeakPolarHBondContact OE1-CE 3.33Å; E6-K153 IonicContact OE1-NZ 3.19Å; E6-K153 PolarHBondContact OE1-NZ 2.7Å; E6-L160 CarbonylContact C-O 3.54Å; E6-L160 WeakPolarHBondContact CA-O 3.36Å; E6-E161 HydrophobicContact CB-CG 4.24Å
7A93.8Very high85.3Confident21 Ų2163.7 Ų63.717%0.17435%0.353CS..EExtended strand (participates in β ladder)trans-135.3129.4169.200000109.4L160 L188 V192A7-L160 PolarHBondContact N-O 3.31Å; A7-L160 PolarHBondContact O-N 3.11Å; A7-L188 HydrophobicContact CB-CD2 3.76Å; A7-L188 HydrophobicContact CB-CG 3.88Å; A7-V192 HydrophobicContact CB-CG2 3.72Å
8E92.3Very high85.6Confident124 Ų12468.3 Ų68.358%0.57937%0.372SS*.EExtended strand (participates in β ladder)trans-83.9144.2179.3-60.2-168.3149.300111.2K153E8-K153 IonicContact OE1-NZ 2.81Å; E8-K153 PolarHBondContact OE1-NZ 2.8Å
9F90.6Very high85.9Confident18 Ų1864.7 Ų64.78%0.07935%0.352CS..PPolyproline II helixtrans-81153.2173.4-75.2-93000111.4L16 L150 W158 L160 V192 A195F9-L16 HydrophobicContact CB-CD1 4.18Å; F9-L16 HydrophobicContact CD1-CD1 3.68Å; F9-L16 HydrophobicContact CD1-CD2 4.41Å; F9-L16 HydrophobicContact CD1-CG 4.47Å; F9-L16 HydrophobicContact CD2-CD1 3.96Å; F9-L16 HydrophobicContact CE1-CD1 3.95Å; F9-L16 HydrophobicContact CE1-CD2 3.89Å; F9-L16 HydrophobicContact CE1-CG 4.42Å; F9-L16 HydrophobicContact CE2-CD1 4.19Å; F9-L16 HydrophobicContact CG-CD1 3.67Å; F9-L16 HydrophobicContact CZ-CD1 4.2Å; F9-L16 HydrophobicContact CZ-CD2 4.01Å; F9-L150 HydrophobicContact CD2-CD1 4.3Å; F9-L150 HydrophobicContact CE2-CD1 3.47Å; F9-L150 VanDerWaalsContact CE2-CD1 3.47Å; F9-L150 HydrophobicContact CZ-CD1 3.94Å; F9-W158 HydrophobicContact CB-CB 4.24Å; F9-W158 HydrophobicContact CD2-CB 3.76Å; F9-W158 WeakPolarHBondContact CD2-O 3.48Å; F9-W158 HydrophobicContact CE2-CB 4.44Å; F9-W158 HydrophobicContact CG-CB 4.22Å; F9-W158 PolarHBondContact N-O 3.36Å; F9-L160 HydrophobicContact CE2-CB 3.72Å; F9-L160 HydrophobicContact CZ-CB 4.16Å; F9-V192 HydrophobicContact CD1-CB 4.46Å; F9-V192 HydrophobicContact CD1-CG1 3.75Å; F9-V192 HydrophobicContact CE1-CB 4.18Å; F9-V192 HydrophobicContact CE1-CG1 3.96Å; F9-V192 HydrophobicContact CE1-CG2 4.26Å; F9-V192 HydrophobicContact CE2-CG2 4.28Å; F9-V192 HydrophobicContact CG-CG1 4.17Å; F9-V192 HydrophobicContact CZ-CB 4.47Å; F9-V192 HydrophobicContact CZ-CG2 4.08Å; F9-A195 HydrophobicContact CE1-CB 3.69Å; F9-A195 HydrophobicContact CZ-CB 4.19Å
10P85.1Confident86.3Confident79 Ų7961.6 Ų61.651%0.51334%0.335SS..PPolyproline II helixtrans-55.1142.8168.4-21.732.8000111.2C13 A196P10-C13 WeakPolarHBondContact O-CB 3.37Å; P10-C13 PolarHBondContact O-N 3.37Å; P10-A196 HydrophobicContact CG-CB 4.39Å
11S78.1Confident86.6Confident110 Ų11060.9 Ų60.977%0.76933%0.328SS*.THydrogen-bonded Turntrans-59.8139.8178.848.70000112
12G73.4Confident88Confident35 Ų3559.1 Ų59.136%0.36132%0.324SS..THydrogen-bonded Turntrans71.727.3178.800000114.3K14G12-K14 PolarHBondContact O-N 3.05Å
13C80.1Confident88.6Confident19 Ų1956.8 Ų56.813%0.12831%0.309CS..  trans-67.795.3178.3-170.80000111.5P10 S15 L16P10-C13 WeakPolarHBondContact O-CB 3.37Å; P10-C13 PolarHBondContact O-N 3.37Å; C13-S15 VanDerWaalsContact C-N 3.26Å; C13-S15 PolarHBondContact O-N 3.16Å; C13-S15 PolarHBondContact SG-OG 3.26Å; C13-L16 HydrophobicContact CB-CD1 4.09Å; C13-L16 HydrophobicContact CB-CG 4.49Å
14K84Confident88.9Confident205 Ų20552.6 Ų52.689%0.89129%0.291SS*.THydrogen-bonded Turntrans-73.3-11.5-176.4-60.9-172.5179.7-175.50115G12 L16G12-K14 PolarHBondContact O-N 3.05Å; K14-L16 VanDerWaalsContact C-N 3.33Å
15S86.1Confident88.9Confident19 Ų1953.9 Ų53.913%0.13330%0.295CS..THydrogen-bonded Turntrans-81.4-12.4-178.552.40000113.2C13 E18 G19 A195C13-S15 VanDerWaalsContact C-N 3.26Å; C13-S15 PolarHBondContact O-N 3.16Å; C13-S15 PolarHBondContact SG-OG 3.26Å; S15-E18 PolarHBondContact O-N 3.39Å; S15-G19 WeakPolarHBondContact O-CA 3.11Å; S15-G19 PolarHBondContact O-N 2.72Å; S15-A195 WeakPolarHBondContact CB-O 3.48Å; S15-A195 PolarHBondContact OG-O 3.47Å
16L88.4Confident88.9Confident18 Ų1854.8 Ų54.89%0.09430%0.3CS..THydrogen-bonded Turntrans-85.1144.8-178.3-64.7172.3000111.4F9 C13 K14 F20 L150 W158 A195F9-L16 HydrophobicContact CB-CD1 4.18Å; F9-L16 HydrophobicContact CD1-CD1 3.68Å; F9-L16 HydrophobicContact CD1-CD2 4.41Å; F9-L16 HydrophobicContact CD1-CG 4.47Å; F9-L16 HydrophobicContact CD2-CD1 3.96Å; F9-L16 HydrophobicContact CE1-CD1 3.95Å; F9-L16 HydrophobicContact CE1-CD2 3.89Å; F9-L16 HydrophobicContact CE1-CG 4.42Å; F9-L16 HydrophobicContact CE2-CD1 4.19Å; F9-L16 HydrophobicContact CG-CD1 3.67Å; F9-L16 HydrophobicContact CZ-CD1 4.2Å; F9-L16 HydrophobicContact CZ-CD2 4.01Å; C13-L16 HydrophobicContact CB-CD1 4.09Å; C13-L16 HydrophobicContact CB-CG 4.49Å; K14-L16 VanDerWaalsContact C-N 3.33Å; L16-F20 HydrophobicContact CD2-CB 4.02Å; L16-L150 HydrophobicContact CD1-CD1 4.44Å; L16-L150 HydrophobicContact CD2-CD1 4.24Å; L16-L150 HydrophobicContact CD2-CD2 4.29Å; L16-W158 HydrophobicContact CB-CD2 4.4Å; L16-W158 HydrophobicContact CB-CG 4.39Å; L16-W158 HydrophobicContact CD1-CB 3.49Å; L16-W158 VanDerWaalsContact CD1-CB 3.49Å; L16-W158 HydrophobicContact CD1-CD2 4.19Å; L16-W158 HydrophobicContact CD1-CG 3.49Å; L16-W158 VanDerWaalsContact CD1-CG 3.49Å; L16-A195 HydrophobicContact CD2-CB 4.2Å
17P88.5Confident88.9Confident46 Ų4651.1 Ų51.130%0.29928%0.283SS..THydrogen-bonded Turncis-84.8-10.85.432.9-35.6000115.2G19 F20 L150P17-G19 VanDerWaalsContact C-N 3.29Å; P17-G19 PolarHBondContact O-N 3.06Å; P17-F20 VanDerWaalsContact O-CB 3.3Å; P17-F20 WeakPolarHBondContact O-CB 3.14Å; P17-F20 PolarHBondContact O-N 2.78Å; P17-L150 HydrophobicContact CB-CD2 3.77Å
18E90Very high88.9Confident146 Ų14650.2 Ų50.268%0.68228%0.275SS*.Hα-helixtrans-60.3-36-173.4-62.2172.1161.600113.7S15 F20 W21 S22S15-E18 PolarHBondContact O-N 3.39Å; E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 2.85Å; E18-W21 PolarHBondContact O-N 3.09Å; E18-S22 PolarHBondContact O-N 2.83Å; E18-S22 PolarHBondContact O-OG 2.99Å; E18-S22 VanDerWaalsContact O-OG 3.13Å
19G90.8Very high88.9Confident0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-62.4-34.317600000112.2S15 P17 S22 A23 A195S15-G19 WeakPolarHBondContact O-CA 3.11Å; S15-G19 PolarHBondContact O-N 2.72Å; P17-G19 VanDerWaalsContact C-N 3.29Å; P17-G19 PolarHBondContact O-N 3.06Å; G19-S22 PolarHBondContact O-N 2.91Å; G19-A23 WeakPolarHBondContact O-CB 3.35Å; G19-A23 PolarHBondContact O-N 3.31Å; G19-A195 VanDerWaalsContact C-CB 3.41Å; G19-A195 WeakPolarHBondContact O-CA 3.46Å; G19-A195 VanDerWaalsContact O-CB 3.23Å; G19-A195 WeakPolarHBondContact O-CB 3.36Å
20F93.6Very high88.9Confident2 Ų250.8 Ų50.81%0.00928%0.275CS..Hα-helixtrans-61.6-48.6174.7162.8-111000110.7L16 P17 E18 S22 A23 V24 Q122 V124 L148 L150 L160L16-F20 HydrophobicContact CD2-CB 4.02Å; P17-F20 VanDerWaalsContact O-CB 3.3Å; P17-F20 WeakPolarHBondContact O-CB 3.14Å; P17-F20 PolarHBondContact O-N 2.78Å; E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 2.85Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 2.93Å; F20-A23 WeakPolarHBondContact O-CB 3.28Å; F20-A23 PolarHBondContact O-N 2.91Å; F20-A23 VanDerWaalsContact O-N 3.12Å; F20-V24 HydrophobicContact CD2-CG2 3.94Å; F20-V24 HydrophobicContact CE1-CG2 4.32Å; F20-V24 HydrophobicContact CE2-CG2 3.51Å; F20-V24 HydrophobicContact CZ-CG2 3.75Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å; F20-V24 PolarHBondContact O-N 3.14Å; F20-Q122 WeakPolarHBondContact CE1-O 3.23Å; F20-V124 HydrophobicContact CZ-CG1 3.99Å; F20-L148 HydrophobicContact CE2-CB 4.42Å; F20-L150 HydrophobicContact CB-CD1 4.47Å; F20-L150 HydrophobicContact CB-CD2 3.81Å; F20-L150 HydrophobicContact CD1-CB 4.04Å; F20-L150 HydrophobicContact CD1-CD2 4.18Å; F20-L150 HydrophobicContact CD2-CB 4.32Å; F20-L150 HydrophobicContact CE1-CB 4.22Å; F20-L150 HydrophobicContact CG-CB 4.07Å; F20-L150 HydrophobicContact CG-CD2 4.09Å; F20-L150 HydrophobicContact CG-CG 4.49Å; F20-L150 HydrophobicContact CZ-CB 4.44Å; F20-L160 HydrophobicContact CD2-CD1 3.79Å; F20-L160 HydrophobicContact CE2-CD1 3.49Å; F20-L160 VanDerWaalsContact CE2-CD1 3.49Å; F20-L160 HydrophobicContact CZ-CD1 4.48Å
21W93.5Very high89.3Confident48 Ų4847 Ų4718%0.18225%0.251CS..Hα-helixtrans-63.1-38.1177-68.8110.3000112.8E18 A23 V24 E25 K117 D118 H123 V124E18-W21 PolarHBondContact O-N 3.09Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.36Å; W21-V24 HydrophobicContact CE3-CG1 4.49Å; W21-V24 PolarHBondContact O-N 2.96Å; W21-E25 WeakPolarHBondContact O-CB 3.42Å; W21-E25 PolarHBondContact O-N 3.48Å; W21-K117 HydrophobicContact CE3-CD 4.22Å; W21-K117 HydrophobicContact CH2-CB 3.83Å; W21-K117 HydrophobicContact CH2-CG 4.38Å; W21-K117 HydrophobicContact CZ3-CB 3.63Å; W21-K117 HydrophobicContact CZ3-CD 3.87Å; W21-K117 HydrophobicContact CZ3-CG 3.69Å; W21-D118 WeakPolarHBondContact CZ2-O 3.46Å; W21-H123 WeakPolarHBondContact CH2-O 3.42Å; W21-V124 HydrophobicContact CZ3-CB 4.22Å
22S91.9Very high90Very high54 Ų5443.4 Ų43.438%0.37822%0.222SC..Hα-helixtrans-61.5-40.8173.3-60.60000112E18 G19 F20 E25 V26E18-S22 PolarHBondContact O-N 2.83Å; E18-S22 PolarHBondContact O-OG 2.99Å; E18-S22 VanDerWaalsContact O-OG 3.13Å; G19-S22 PolarHBondContact O-N 2.91Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-S22 PolarHBondContact O-N 2.93Å; S22-E25 PolarHBondContact O-N 2.81Å; S22-V26 WeakPolarHBondContact O-CG2 3.43Å; S22-V26 PolarHBondContact O-N 3.06Å; S22-V26 VanDerWaalsContact O-N 3.16Å
23A93.5Very high90.8Very high1 Ų144.2 Ų44.21%0.00822%0.22CC..Hα-helixtrans-69.4-41.3176.600000112.4G19 F20 W21 E25 V26 W27 L191 W194 A195G19-A23 WeakPolarHBondContact O-CB 3.35Å; G19-A23 PolarHBondContact O-N 3.31Å; F20-A23 WeakPolarHBondContact O-CB 3.28Å; F20-A23 PolarHBondContact O-N 2.91Å; F20-A23 VanDerWaalsContact O-N 3.12Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.36Å; A23-E25 VanDerWaalsContact C-N 3.29Å; A23-E25 PolarHBondContact O-N 3.2Å; A23-V26 WeakPolarHBondContact O-CB 3.29Å; A23-V26 PolarHBondContact O-N 3Å; A23-W27 PolarHBondContact O-N 3.2Å; A23-W27 VanDerWaalsContact O-N 3.07Å; A23-L191 HydrophobicContact CB-CD2 4.05Å; A23-L191 WeakPolarHBondContact CB-O 3.45Å; A23-L191 WeakPolarHBondContact O-CD2 3.42Å; A23-W194 HydrophobicContact CB-CB 3.77Å; A23-A195 HydrophobicContact CB-CB 3.82Å
24V94.4Very high91.4Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-59.9-42.9173.4169.90000110F20 W21 V26 W27 V28 V124F20-V24 HydrophobicContact CD2-CG2 3.94Å; F20-V24 HydrophobicContact CE1-CG2 4.32Å; F20-V24 HydrophobicContact CE2-CG2 3.51Å; F20-V24 HydrophobicContact CZ-CG2 3.75Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å; F20-V24 PolarHBondContact O-N 3.14Å; W21-V24 HydrophobicContact CE3-CG1 4.49Å; W21-V24 PolarHBondContact O-N 2.96Å; V24-V26 VanDerWaalsContact C-N 3.32Å; V24-V26 PolarHBondContact O-N 2.85Å; V24-W27 PolarHBondContact O-N 3.13Å; V24-W27 VanDerWaalsContact O-N 3.07Å; V24-V28 HydrophobicContact CG1-CG2 4.05Å; V24-V28 VanDerWaalsContact O-CG2 3.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.33Å; V24-V28 PolarHBondContact O-N 2.85Å; V24-V124 HydrophobicContact CG1-CB 4.29Å; V24-V124 HydrophobicContact CG1-CG1 3.99Å; V24-V124 HydrophobicContact CG1-CG2 4Å; V24-V124 HydrophobicContact CG2-CG1 3.8Å
25E92.4Very high91.9Very high83 Ų8335 Ų3539%0.38818%0.18SC..Hα-helixtrans-60.6-40.6177.2-165.7-177.9-179.500112.1W21 S22 A23 W27 V28 K29W21-E25 WeakPolarHBondContact O-CB 3.42Å; W21-E25 PolarHBondContact O-N 3.48Å; S22-E25 PolarHBondContact O-N 2.81Å; A23-E25 VanDerWaalsContact C-N 3.29Å; A23-E25 PolarHBondContact O-N 3.2Å; E25-W27 VanDerWaalsContact C-N 3.33Å; E25-W27 PolarHBondContact O-N 3.42Å; E25-V28 PolarHBondContact O-N 3.45Å; E25-K29 HydrophobicContact CG-CD 3.73Å; E25-K29 VanDerWaalsContact CG-CE 3.5Å; E25-K29 HydrophobicContact CG-CG 4.13Å; E25-K29 WeakPolarHBondContact O-CB 3.44Å; E25-K29 WeakPolarHBondContact O-CG 3.26Å; E25-K29 PolarHBondContact O-N 3.31Å; E25-K29 WeakPolarHBondContact OE1-CE 3.49Å; E25-K29 IonicContact OE1-NZ 3.14Å; E25-K29 PolarHBondContact OE1-NZ 3.48Å
26V92.1Very high92.1Very high43 Ų4340.8 Ų40.826%0.26120%0.203SC..Hα-helixtrans-60.9-42.8173174.10000111.2S22 A23 V24 K30 V33 W194S22-V26 WeakPolarHBondContact O-CG2 3.43Å; S22-V26 PolarHBondContact O-N 3.06Å; S22-V26 VanDerWaalsContact O-N 3.16Å; A23-V26 WeakPolarHBondContact O-CB 3.29Å; A23-V26 PolarHBondContact O-N 3Å; V24-V26 VanDerWaalsContact C-N 3.32Å; V24-V26 PolarHBondContact O-N 2.85Å; V26-K30 CarbonylContact O-C 3.52Å; V26-K30 VanDerWaalsContact O-C 3.25Å; V26-K30 VanDerWaalsContact O-CA 3.23Å; V26-K30 WeakPolarHBondContact O-CA 3.47Å; V26-K30 WeakPolarHBondContact O-CB 3.31Å; V26-K30 PolarHBondContact O-N 2.88Å; V26-V33 HydrophobicContact CG1-CG2 3.89Å; V26-W194 HydrophobicContact CB-CE3 4.09Å; V26-W194 HydrophobicContact CB-CZ3 4.28Å; V26-W194 HydrophobicContact CG1-CD2 4.17Å; V26-W194 HydrophobicContact CG1-CE3 3.85Å; V26-W194 HydrophobicContact CG1-CH2 3.97Å; V26-W194 HydrophobicContact CG1-CZ2 4.25Å; V26-W194 HydrophobicContact CG1-CZ3 3.75Å
27W94.8Very high92.3Very high3 Ų346.2 Ų46.21%0.01122%0.222CC..Hα-helixtrans-66.4-41.5177.2174.1-128000112.6A23 V24 E25 P31 V34 R97 F126 Y146 W182 L187 L191A23-W27 PolarHBondContact O-N 3.2Å; A23-W27 VanDerWaalsContact O-N 3.07Å; V24-W27 PolarHBondContact O-N 3.13Å; V24-W27 VanDerWaalsContact O-N 3.07Å; E25-W27 VanDerWaalsContact C-N 3.33Å; E25-W27 PolarHBondContact O-N 3.42Å; W27-P31 HydrophobicContact CE3-CB 3.8Å; W27-P31 HydrophobicContact CH2-CB 4.12Å; W27-P31 HydrophobicContact CZ3-CB 3.5Å; W27-P31 WeakPolarHBondContact O-CB 3.36Å; W27-P31 WeakPolarHBondContact O-CD 3.45Å; W27-V34 HydrophobicContact CE3-CG1 3.55Å; W27-V34 HydrophobicContact CH2-CG1 4.48Å; W27-V34 HydrophobicContact CZ3-CG1 3.37Å; W27-R97 PolarHBondContact O-NH1 3.06Å; W27-F126 AromaticContact CD1-CE1 3.84Å; W27-F126 AromaticContact CD1-CZ 3.6Å; W27-F126 AromaticContact NE1-CE1 3.85Å; W27-F126 AromaticContact NE1-CZ 3.85Å; W27-Y146 PolarHBondContact NE1-OH 3.46Å; W27-W182 HydrophobicContact CH2-CH2 4.37Å; W27-W182 HydrophobicContact CH2-CZ3 4.29Å; W27-L187 HydrophobicContact CD2-CD1 3.62Å; W27-L187 HydrophobicContact CD2-CD2 4.21Å; W27-L187 HydrophobicContact CE3-CD1 3.68Å; W27-L187 HydrophobicContact CG-CD1 4.02Å; W27-L187 HydrophobicContact CZ2-CD1 4.47Å; W27-L187 HydrophobicContact CZ2-CD2 3.93Å; W27-L187 HydrophobicContact CZ3-CD1 4.16Å; W27-L191 HydrophobicContact CB-CD2 3.99Å
28V93.6Very high92.5Very high2 Ų244.4 Ų44.41%0.01221%0.21CC..Hα-helixtrans-65.2-53.8179.3172.70000110.8V24 E25 V115 F126V24-V28 HydrophobicContact CG1-CG2 4.05Å; V24-V28 VanDerWaalsContact O-CG2 3.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.33Å; V24-V28 PolarHBondContact O-N 2.85Å; E25-V28 PolarHBondContact O-N 3.45Å; V28-V115 HydrophobicContact CG1-CG2 4.38Å; V28-V115 HydrophobicContact CG2-CG1 3.85Å; V28-V115 HydrophobicContact CG2-CG2 4.27Å; V28-F126 HydrophobicContact CG2-CE1 4.09Å; V28-F126 HydrophobicContact CG2-CZ 4.5Å
29K91.3Very high92.6Very high76 Ų7637.8 Ų37.833%0.3318%0.18SC..Hα-helixtrans-84.8-30.2-172.1-60.4-169.9-177-169.20113.7E25 E43E25-K29 HydrophobicContact CG-CD 3.73Å; E25-K29 VanDerWaalsContact CG-CE 3.5Å; E25-K29 HydrophobicContact CG-CG 4.13Å; E25-K29 WeakPolarHBondContact O-CB 3.44Å; E25-K29 WeakPolarHBondContact O-CG 3.26Å; E25-K29 PolarHBondContact O-N 3.31Å; E25-K29 WeakPolarHBondContact OE1-CE 3.49Å; E25-K29 IonicContact OE1-NZ 3.14Å; E25-K29 PolarHBondContact OE1-NZ 3.48Å; K29-E43 VanDerWaalsContact CE-CD 3.48Å; K29-E43 WeakPolarHBondContact CE-OE1 3.3Å; K29-E43 WeakPolarHBondContact CE-OE2 3.47Å; K29-E43 WeakPolarHBondContact CG-OE2 3.24Å; K29-E43 IonicContact NZ-OE1 3.87Å; K29-E43 PolarHBondContact NZ-OE1 3.21Å; K29-E43 VanDerWaalsContact NZ-OE1 3.12Å
30K91.3Very high92.7Very high77 Ų7737.9 Ų37.934%0.33518%0.18SC..  trans-129.749.2-171.6-55.6175.3-175.2162.90112V26 H32 V33V26-K30 CarbonylContact O-C 3.52Å; V26-K30 VanDerWaalsContact O-C 3.25Å; V26-K30 VanDerWaalsContact O-CA 3.23Å; V26-K30 WeakPolarHBondContact O-CA 3.47Å; V26-K30 WeakPolarHBondContact O-CB 3.31Å; V26-K30 PolarHBondContact O-N 2.88Å; K30-H32 PolarHBondContact O-N 3.35Å; K30-V33 HydrophobicContact CB-CG1 3.8Å; K30-V33 WeakPolarHBondContact O-CG1 3.47Å; K30-V33 WeakPolarHBondContact O-CG2 3.32Å; K30-V33 PolarHBondContact O-N 2.97Å
31P93.5Very high92.6Very high0 Ų038.4 Ų38.40%019%0.185CC..G310 helixtrans-58.6-27.8-175.425-35.1000113.2W27 V33 V34 N35 L38 A41 F99W27-P31 HydrophobicContact CE3-CB 3.8Å; W27-P31 HydrophobicContact CH2-CB 4.12Å; W27-P31 HydrophobicContact CZ3-CB 3.5Å; W27-P31 WeakPolarHBondContact O-CB 3.36Å; W27-P31 WeakPolarHBondContact O-CD 3.45Å; P31-V33 PolarHBondContact O-N 3.46Å; P31-V33 VanDerWaalsContact O-N 3.1Å; P31-V34 WeakPolarHBondContact O-CG1 3.47Å; P31-V34 PolarHBondContact O-N 2.88Å; P31-V34 VanDerWaalsContact O-N 3.14Å; P31-N35 PolarHBondContact O-N 3.3Å; P31-L38 HydrophobicContact CB-CD1 3.81Å; P31-L38 HydrophobicContact CG-CD1 3.91Å; P31-A41 HydrophobicContact CG-CB 3.83Å; P31-F99 HydrophobicContact CB-CE1 4.47Å; P31-F99 HydrophobicContact CG-CD1 4.37Å; P31-F99 HydrophobicContact CG-CE1 4.28Å
32H92.1Very high92.5Very high34 Ų3439.3 Ų39.316%0.15720%0.196CC..G310 helixtrans-60.2-15.9175.167.6-80.8000115.3K30 V34 N35 K36 L38 R405K30-H32 PolarHBondContact O-N 3.35Å; H32-V34 PolarHBondContact O-N 3.47Å; H32-N35 WeakPolarHBondContact CA-O 3.35Å; H32-K36 PolarHBondContact O-NZ 3.02Å; H32-L38 HydrophobicContact CB-CB 4.2Å; H32-L38 VanDerWaalsContact CB-O 3.23Å; H32-L38 WeakPolarHBondContact CB-O 3.41Å; H32-R405 PolarHBondContact NE2-NH2 2.9Å
33V90.8Very high92.5Very high53 Ų5340.9 Ų40.932%0.32120%0.197SC..G310 helixtrans-69.1-28.2176.1-57.40000111.6V26 K30 P31 K36 W194V26-V33 HydrophobicContact CG1-CG2 3.89Å; K30-V33 HydrophobicContact CB-CG1 3.8Å; K30-V33 WeakPolarHBondContact O-CG1 3.47Å; K30-V33 WeakPolarHBondContact O-CG2 3.32Å; K30-V33 PolarHBondContact O-N 2.97Å; P31-V33 PolarHBondContact O-N 3.46Å; P31-V33 VanDerWaalsContact O-N 3.1Å; V33-K36 WeakPolarHBondContact O-CE 3.28Å; V33-K36 PolarHBondContact O-NZ 3Å; V33-W194 HydrophobicContact CG2-CH2 3.47Å; V33-W194 VanDerWaalsContact CG2-CH2 3.47Å; V33-W194 HydrophobicContact CG2-CZ2 3.61Å; V33-W194 HydrophobicContact CG2-CZ3 4.47Å
34V93Very high92.4Very high22 Ų2244.3 Ų44.313%0.13322%0.218CC..THydrogen-bonded Turntrans-111.3-42.6176.1620000111.9W27 P31 H32 K36 W182 L187 K190 W194W27-V34 HydrophobicContact CE3-CG1 3.55Å; W27-V34 HydrophobicContact CH2-CG1 4.48Å; W27-V34 HydrophobicContact CZ3-CG1 3.37Å; P31-V34 WeakPolarHBondContact O-CG1 3.47Å; P31-V34 PolarHBondContact O-N 2.88Å; P31-V34 VanDerWaalsContact O-N 3.14Å; H32-V34 PolarHBondContact O-N 3.47Å; V34-K36 PolarHBondContact O-N 3.34Å; V34-W182 HydrophobicContact CG1-CH2 4.1Å; V34-W182 HydrophobicContact CG2-CH2 3.91Å; V34-W182 HydrophobicContact CG2-CZ2 3.82Å; V34-L187 HydrophobicContact CG1-CD1 4.08Å; V34-K190 HydrophobicContact CG2-CG 4.07Å; V34-W194 HydrophobicContact CB-CH2 4.13Å; V34-W194 HydrophobicContact CG1-CH2 4.22Å
35N93.9Very high92.1Very high9 Ų951.9 Ų51.95%0.04825%0.253CS..  trans-95.194.3175.2-174.1-5.5000112.2P31 H32 R37 L38 V175 W182P31-N35 PolarHBondContact O-N 3.3Å; H32-N35 WeakPolarHBondContact CA-O 3.35Å; N35-R37 PolarHBondContact O-N 2.79Å; N35-R37 WeakPolarHBondContact OD1-CB 3.46Å; N35-R37 PolarHBondContact OD1-N 3.44Å; N35-L38 HydrophobicContact CB-CD1 4.26Å; N35-L38 PolarHBondContact O-N 3.32Å; N35-L38 VanDerWaalsContact O-N 3.12Å; N35-V175 PolarHBondContact ND2-O 2.87Å; N35-W182 HydrophobicContact CB-CH2 3.88Å; N35-W182 HydrophobicContact CB-CZ2 4.17Å
36K91.7Very high92Very high140 Ų14051 Ų5161%0.60926%0.257SS*.THydrogen-bonded Turntrans-68.6-3.4-176.1-58.6-63.3168.2-157.20115.8H32 V33 V34 L38H32-K36 PolarHBondContact O-NZ 3.02Å; V33-K36 WeakPolarHBondContact O-CE 3.28Å; V33-K36 PolarHBondContact O-NZ 3Å; V34-K36 PolarHBondContact O-N 3.34Å; K36-L38 VanDerWaalsContact C-N 3.32Å
37R92.4Very high91.9Very high131 Ų13157.5 Ų57.549%0.49428%0.276SS..THydrogen-bonded Turntrans-82.7-13.1173.6-64.2162.2171.4-143.83.1112.6N35 K102 D173 G174 V175N35-R37 PolarHBondContact O-N 2.79Å; N35-R37 WeakPolarHBondContact OD1-CB 3.46Å; N35-R37 PolarHBondContact OD1-N 3.44Å; R37-K102 WeakPolarHBondContact O-CB 3.29Å; R37-K102 PolarHBondContact O-N 3.42Å; R37-D173 PolarHBondContact NH1-O 3.14Å; R37-G174 WeakPolarHBondContact CD-O 3.46Å; R37-G174 PolarHBondContact NH1-O 3.01Å; R37-V175 HydrophobicContact CB-CG1 4.41Å; R37-V175 HydrophobicContact CB-CG2 4.08Å
38L92.8Very high91.8Very high9 Ų962.1 Ų62.15%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-95.7147.8172.8-63.1171.7000110.7P31 H32 N35 K36 F99 V175P31-L38 HydrophobicContact CB-CD1 3.81Å; P31-L38 HydrophobicContact CG-CD1 3.91Å; H32-L38 HydrophobicContact CB-CB 4.2Å; H32-L38 VanDerWaalsContact CB-O 3.23Å; H32-L38 WeakPolarHBondContact CB-O 3.41Å; N35-L38 HydrophobicContact CB-CD1 4.26Å; N35-L38 PolarHBondContact O-N 3.32Å; N35-L38 VanDerWaalsContact O-N 3.12Å; K36-L38 VanDerWaalsContact C-N 3.32Å; L38-F99 HydrophobicContact CD1-CD1 3.73Å; L38-F99 HydrophobicContact CD1-CE1 4.05Å; L38-F99 HydrophobicContact CD2-CB 4.05Å; L38-F99 HydrophobicContact CD2-CD1 4.22Å; L38-F99 HydrophobicContact CD2-CG 4.41Å; L38-V175 HydrophobicContact CD2-CG1 3.9Å
39C90.9Very high91.5Very high7 Ų762.5 Ų62.55%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-86.4-26.5165.6-76.80000112I100 K102 S216 R405C39-I100 HydrophobicContact CB-CB 4.37Å; C39-I100 HydrophobicContact CB-CG2 3.89Å; C39-I100 PolarHBondContact N-O 2.95Å; C39-K102 VanDerWaalsContact SG-CA 3.58Å; C39-S216 VanDerWaalsContact CB-OG 3.23Å; C39-S216 WeakPolarHBondContact CB-OG 3.3Å; C39-R405 VanDerWaalsContact O-CZ 3.26Å; C39-R405 PolarHBondContact O-NH1 3.35Å; C39-R405 PolarHBondContact O-NH2 3.4Å
40G92.5Very high91.3Very high1 Ų160.6 Ų60.61%0.0130%0.297CS..EExtended strand (participates in β ladder)trans166-166-177.700000111.8I100G40-I100 PolarHBondContact N-O 3.1Å; G40-I100 PolarHBondContact O-N 2.87Å
41A92.8Very high90.9Very high13 Ų1359.6 Ų59.611%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-143.8153.1167.600000108.8P31 T98P31-A41 HydrophobicContact CG-CB 3.83Å; A41-T98 CarbonylContact C-O 3.53Å; A41-T98 WeakPolarHBondContact CA-O 3.24Å; A41-T98 WeakPolarHBondContact CB-O 3.42Å
42T91.6Very high90.4Very high67 Ų6764.1 Ų64.141%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-104155.3164.5490000109.2R97 T98 I100T42-R97 CarbonylContact O-C 3.55Å; T42-R97 VanDerWaalsContact O-CA 3.23Å; T42-R97 WeakPolarHBondContact O-CA 3.41Å; T42-T98 PolarHBondContact N-O 3.36Å; T42-T98 PolarHBondContact O-N 2.89Å; T42-I100 HydrophobicContact CG2-CD1 4.18Å
43E91.9Very high90.1Very high87 Ų8764.5 Ų64.541%0.40733%0.327SS..EExtended strand (participates in β ladder)trans-128.3153.1177.469.6-175.7-179.700110.9K29 T95 V96K29-E43 VanDerWaalsContact CE-CD 3.48Å; K29-E43 WeakPolarHBondContact CE-OE1 3.3Å; K29-E43 WeakPolarHBondContact CE-OE2 3.47Å; K29-E43 WeakPolarHBondContact CG-OE2 3.24Å; K29-E43 IonicContact NZ-OE1 3.87Å; K29-E43 PolarHBondContact NZ-OE1 3.21Å; K29-E43 VanDerWaalsContact NZ-OE1 3.12Å; E43-T95 HydrophobicContact CB-CG2 3.9Å; E43-V96 CarbonylContact C-O 3.54Å; E43-V96 WeakPolarHBondContact CA-O 3.05Å
44T90.8Very high89.6Confident73 Ų7362 Ų6245%0.44831%0.312SS..PPolyproline II helixtrans-84.6166.2167.247.60000110.2T95 V96T44-T95 WeakPolarHBondContact O-CG2 3.43Å; T44-V96 HydrophobicContact CG2-CB 4.18Å; T44-V96 PolarHBondContact N-O 3.11Å; T44-V96 WeakPolarHBondContact OG1-CA 3.39Å; T44-V96 WeakPolarHBondContact OG1-CB 2.94Å; T44-V96 PolarHBondContact OG1-N 2.94Å; T44-V96 PolarHBondContact OG1-O 3.37Å; T44-V96 VanDerWaalsContact OG1-O 3.12Å
45E87.6Confident89Confident159 Ų15965.8 Ų65.874%0.74332%0.324SS*.PPolyproline II helixtrans-62.5140.7170.9-69.6-177.416700110.8
46S90.2Very high88.3Confident66 Ų6672.7 Ų72.746%0.46235%0.353SS..PPolyproline II helixtrans-70.7138.7178.4-176.50000110.9S93 S94 T95S46-S93 PolarHBondContact OG-OG 3.21Å; S46-S94 VanDerWaalsContact CA-O 3.31Å; S46-S94 WeakPolarHBondContact CA-O 3.49Å; S46-T95 WeakPolarHBondContact CB-OG1 3.32Å
47R91.5Very high87.4Confident178 Ų17870.1 Ų70.167%0.67235%0.346SS*.EExtended strand (participates in β ladder)trans-137.5141.3179.5-61.1-179.9-177.3177.6-0.2110.5S94R47-S94 PolarHBondContact N-O 3.1Å; R47-S94 PolarHBondContact O-N 2.81Å
48D90.9Very high86.4Confident101 Ų10164.3 Ų64.354%0.5433%0.325SS..EExtended strand (participates in β ladder)trans-80.2127.6174.4-62-31.8000110.2K90 W92D48-K90 HydrophobicContact CB-CB 3.99Å; D48-K90 HydrophobicContact CB-CD 4.17Å; D48-K90 WeakPolarHBondContact O-CD 3.49Å; D48-K90 PolarHBondContact O-NZ 2.82Å; D48-W92 CarbonylContact C-O 3.46Å; D48-W92 WeakPolarHBondContact CA-O 3.35Å
49V88.2Confident85.1Confident9 Ų967.1 Ų67.16%0.05534%0.34CS..EExtended strand (participates in β ladder)trans-127.8148.8-173.3-59.70000111.3D53 L54 L57 W92 L116V49-D53 HydrophobicContact CB-CB 3.84Å; V49-D53 HydrophobicContact CG1-CB 4.17Å; V49-L54 HydrophobicContact CG2-CD2 4.02Å; V49-L54 HydrophobicContact CG2-CG 4Å; V49-L57 HydrophobicContact CG1-CD1 4.44Å; V49-W92 HydrophobicContact CG2-CB 3.88Å; V49-W92 PolarHBondContact N-O 3.45Å; V49-W92 PolarHBondContact O-N 2.87Å; V49-L116 HydrophobicContact CG2-CD2 4.27Å
50D86.5Confident83.5Confident37 Ų3769.4 Ų69.420%0.19835%0.351CS..  trans-107.6-173.6171.863.234.1000111.5D52 D53 L54 D89 K90D50-D52 VanDerWaalsContact C-N 3.31Å; D50-D52 PolarHBondContact O-N 2.93Å; D50-D52 WeakPolarHBondContact OD1-CA 3.47Å; D50-D52 PolarHBondContact OD1-N 2.77Å; D50-D53 WeakPolarHBondContact OD1-CB 3.32Å; D50-D53 PolarHBondContact OD1-N 3.25Å; D50-L54 WeakPolarHBondContact O-CB 3.48Å; D50-L54 WeakPolarHBondContact O-CG 3.28Å; D50-L54 PolarHBondContact O-N 3.19Å; D50-D89 WeakPolarHBondContact CB-O 3.42Å; D50-K90 HydrophobicContact CB-CG 4Å
51S83.3Confident81.7Confident55 Ų5576.3 Ų76.339%0.38539%0.388SS..Hα-helixtrans-64.9-34.1179.5-67.50000112.9R55 F73S51-R55 WeakPolarHBondContact O-CB 3.47Å; S51-R55 PolarHBondContact O-N 2.8Å; S51-F73 WeakPolarHBondContact O-CZ 3.48Å
52D83.6Confident80Confident96 Ų9680 Ų8051%0.51341%0.406SS..Hα-helixtrans-75.9-39-179.3-70.6-25.5000111.1D50 L54 R55 K56D50-D52 VanDerWaalsContact C-N 3.31Å; D50-D52 PolarHBondContact O-N 2.93Å; D50-D52 WeakPolarHBondContact OD1-CA 3.47Å; D50-D52 PolarHBondContact OD1-N 2.77Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-R55 PolarHBondContact O-N 3.19Å; D52-K56 WeakPolarHBondContact O-CG 3.19Å; D52-K56 PolarHBondContact O-N 2.62Å
53D84.4Confident78.2Confident41 Ų4184.8 Ų84.822%0.21943%0.429CS..Hα-helixtrans-61.2-43.1171.5-72.8-28.6000111V49 D50 K56 L57 K90V49-D53 HydrophobicContact CB-CB 3.84Å; V49-D53 HydrophobicContact CG1-CB 4.17Å; D50-D53 WeakPolarHBondContact OD1-CB 3.32Å; D50-D53 PolarHBondContact OD1-N 3.25Å; D53-K56 PolarHBondContact O-N 2.9Å; D53-L57 WeakPolarHBondContact O-CG 3.36Å; D53-L57 PolarHBondContact O-N 3.41Å; D53-K90 IonicContact OD2-NZ 2.78Å; D53-K90 PolarHBondContact OD2-NZ 2.93Å
54L80.7Confident76.7Confident1 Ų189.4 Ų89.41%0.00545%0.451CS..Hα-helixtrans-64.1-41.8175.1-79.2176.3000112.6V49 D50 D52 K56 L57 L58 F73 L76 W92 L116V49-L54 HydrophobicContact CG2-CD2 4.02Å; V49-L54 HydrophobicContact CG2-CG 4Å; D50-L54 WeakPolarHBondContact O-CB 3.48Å; D50-L54 WeakPolarHBondContact O-CG 3.28Å; D50-L54 PolarHBondContact O-N 3.19Å; D52-L54 VanDerWaalsContact C-N 3.35Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 2.85Å; L54-L57 HydrophobicContact CD2-CD1 4.43Å; L54-L57 PolarHBondContact O-N 3.12Å; L54-L57 VanDerWaalsContact O-N 3.16Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.43Å; L54-L58 PolarHBondContact O-N 2.95Å; L54-L58 VanDerWaalsContact O-N 3.13Å; L54-F73 HydrophobicContact CB-CE1 4.24Å; L54-F73 HydrophobicContact CB-CZ 4.05Å; L54-F73 HydrophobicContact CD1-CE1 4.08Å; L54-L76 HydrophobicContact CD1-CD1 4Å; L54-W92 HydrophobicContact CD1-CD2 3.96Å; L54-W92 HydrophobicContact CD1-CE3 3.34Å; L54-W92 HydrophobicContact CD1-CH2 4.31Å; L54-W92 HydrophobicContact CD1-CZ3 3.56Å; L54-W92 HydrophobicContact CG-CE3 4.35Å; L54-L116 HydrophobicContact CD1-CD1 4.03Å; L54-L116 HydrophobicContact CD2-CD1 3.6Å; L54-L116 HydrophobicContact CD2-CD2 3.6Å; L54-L116 HydrophobicContact CD2-CG 4.23Å
55R81.1Confident75.6Confident101 Ų10187.3 Ų87.338%0.38144%0.436SS..Hα-helixtrans-57.8-48.8175.6-175.4177.7-97.9152.2-13.2109.9S51 D52 L57 L58 D59 E66 L69S51-R55 WeakPolarHBondContact O-CB 3.47Å; S51-R55 PolarHBondContact O-N 2.8Å; D52-R55 PolarHBondContact O-N 3.19Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-L57 PolarHBondContact O-N 2.9Å; R55-L58 PolarHBondContact O-N 3.27Å; R55-L58 VanDerWaalsContact O-N 3.09Å; R55-D59 WeakPolarHBondContact O-CB 3.21Å; R55-D59 PolarHBondContact O-N 2.94Å; R55-E66 IonicContact CZ-OE1 2.73Å; R55-E66 IonicContact NE-OE1 2.79Å; R55-E66 IonicContact NH2-OE1 3.23Å; R55-E66 PolarHBondContact NH2-OE1 2.88Å; R55-L69 HydrophobicContact CG-CD1 4.36Å
56K79.8Confident74.8Confident154 Ų15484.1 Ų84.167%0.6742%0.421SS*.Hα-helixtrans-61.1-31.3176.3-67.6168.8-169.5160.30114.3D52 D53 L54 L58D52-K56 WeakPolarHBondContact O-CG 3.19Å; D52-K56 PolarHBondContact O-N 2.62Å; D53-K56 PolarHBondContact O-N 2.9Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 2.85Å; K56-L58 VanDerWaalsContact C-N 3.3Å
57L72.9Confident74.2Confident87 Ų8787.6 Ų87.646%0.45543%0.43SS..Hα-helixtrans-74.2-23.8178-77170.1000113V49 D53 L54 R55V49-L57 HydrophobicContact CG1-CD1 4.44Å; D53-L57 WeakPolarHBondContact O-CG 3.36Å; D53-L57 PolarHBondContact O-N 3.41Å; L54-L57 HydrophobicContact CD2-CD1 4.43Å; L54-L57 PolarHBondContact O-N 3.12Å; L54-L57 VanDerWaalsContact O-N 3.16Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-L57 PolarHBondContact O-N 2.9Å
58L69.9Low73.5Confident9 Ų980 Ų805%0.04740%0.402CS..Hα-helixtrans-110.2-16.6-172.4-63.8173.8000113L54 R55 K56 L69 L127 L140L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.43Å; L54-L58 PolarHBondContact O-N 2.95Å; L54-L58 VanDerWaalsContact O-N 3.13Å; R55-L58 PolarHBondContact O-N 3.27Å; R55-L58 VanDerWaalsContact O-N 3.09Å; K56-L58 VanDerWaalsContact C-N 3.3Å; L58-L69 HydrophobicContact CB-CD2 3.54Å; L58-L69 HydrophobicContact CD1-CD2 3.71Å; L58-L69 HydrophobicContact CG-CD2 4.29Å; L58-L127 HydrophobicContact CD1-CD1 4.14Å; L58-L127 HydrophobicContact CD2-CD1 4.2Å; L58-L140 HydrophobicContact CD2-CD1 3.81Å; L58-L140 HydrophobicContact CD2-CD2 4.07Å
59D65.8Low73Confident67 Ų6775.3 Ų75.336%0.35838%0.378SS..  trans-80.2117.6-176.2-177.14.8000112.3R55 N61R55-D59 WeakPolarHBondContact O-CB 3.21Å; R55-D59 PolarHBondContact O-N 2.94Å; D59-N61 PolarHBondContact OD1-N 2.86Å
60N58.4Low72.7Confident55 Ų5581.6 Ų81.629%0.29441%0.406SS..  trans-114.315.7172.5-58.9-65.9000114E65 V138N60-E65 WeakPolarHBondContact CB-OE2 3.43Å; N60-E65 PolarHBondContact N-OE2 2.77Å; N60-E65 PolarHBondContact ND2-OE1 3.01Å; N60-V138 PolarHBondContact ND2-O 2.85Å
61N53.7Low72.7Confident146 Ų14681.9 Ų81.978%0.78141%0.408SS*.SBendtrans67.733.6-179.5-51.8-77.3000117.2D59D59-N61 PolarHBondContact OD1-N 2.86Å
62D57.3Low72.9Confident91 Ų9179.3 Ų79.349%0.48739%0.39SS..  trans-116.2134.1173.3-81-31.5000111.7E64 E65D62-E64 VanDerWaalsContact C-N 3.28Å; D62-E64 PolarHBondContact O-N 2.77Å; D62-E65 HydrophobicContact CB-CG 4.41Å; D62-E65 WeakPolarHBondContact O-CB 3.45Å; D62-E65 PolarHBondContact O-N 2.84Å
63D54.6Low73.1Confident167 Ų16776.6 Ų76.689%0.89337%0.374SS*.THydrogen-bonded Turntrans-61.8-25.6-175.6-72.7-41.7000114.5E65D63-E65 PolarHBondContact O-N 2.7Å
64E60.7Low73.2Confident185 Ų18580.6 Ų80.686%0.86439%0.391SS*.Hα-helixtrans-70.7-14.5174.6-72.2-170172.600112.9D62D62-E64 VanDerWaalsContact C-N 3.28Å; D62-E64 PolarHBondContact O-N 2.77Å
65E66.4Low73.6Confident29 Ų2980.5 Ų80.514%0.13639%0.391CS..Hα-helixtrans-85.6-20.5-178.1-68.3-171.9151.900113.5N60 D62 D63 L68 L69N60-E65 WeakPolarHBondContact CB-OE2 3.43Å; N60-E65 PolarHBondContact N-OE2 2.77Å; N60-E65 PolarHBondContact ND2-OE1 3.01Å; D62-E65 HydrophobicContact CB-CG 4.41Å; D62-E65 WeakPolarHBondContact O-CB 3.45Å; D62-E65 PolarHBondContact O-N 2.84Å; D63-E65 PolarHBondContact O-N 2.7Å; E65-L68 WeakPolarHBondContact O-CB 3.41Å; E65-L68 PolarHBondContact O-N 2.86Å; E65-L69 VanDerWaalsContact O-CG 3.29Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 2.87Å
66E71Confident73.9Confident92 Ų9275.9 Ų75.943%0.4337%0.373SS..Hα-helixtrans-70.7-39.8-178-162.772.7-149.800112.3R55 L68 L69 Q70R55-E66 IonicContact CZ-OE1 2.73Å; R55-E66 IonicContact NE-OE1 2.79Å; R55-E66 IonicContact NH2-OE1 3.23Å; R55-E66 PolarHBondContact NH2-OE1 2.88Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 2.91Å; E66-L69 PolarHBondContact O-N 2.74Å; E66-Q70 PolarHBondContact O-N 3.05Å
67E77.3Confident74Confident138 Ų13871.7 Ų71.765%0.64536%0.363SS*.Hα-helixtrans-64.4-38.7173.4-172-179.7-173.500110.8Q70 D71E67-Q70 PolarHBondContact O-N 3.5Å; E67-D71 PolarHBondContact O-N 2.97Å
68L77.6Confident74Confident18 Ų1869.1 Ų69.19%0.09435%0.352CS..Hα-helixtrans-63.8-42.8174.3173.556.9000111.9E65 E66 Q70 D71 V72 L140 K142 L165E65-L68 WeakPolarHBondContact O-CB 3.41Å; E65-L68 PolarHBondContact O-N 2.86Å; E66-L68 VanDerWaalsContact C-N 3.31Å; E66-L68 PolarHBondContact O-N 2.91Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 2.85Å; L68-D71 WeakPolarHBondContact O-CB 3.5Å; L68-D71 PolarHBondContact O-N 2.73Å; L68-V72 HydrophobicContact CD1-CG2 4.08Å; L68-V72 WeakPolarHBondContact O-CB 3.45Å; L68-V72 VanDerWaalsContact O-CG2 3.26Å; L68-V72 WeakPolarHBondContact O-CG2 3.41Å; L68-V72 PolarHBondContact O-N 2.78Å; L68-L140 HydrophobicContact CD2-CD2 3.76Å; L68-L140 HydrophobicContact CD2-CG 4.37Å; L68-L140 HydrophobicContact CG-CD2 4.15Å; L68-K142 HydrophobicContact CD1-CB 3.65Å; L68-K142 HydrophobicContact CD1-CD 3.56Å; L68-K142 HydrophobicContact CD1-CG 3.38Å; L68-K142 HydrophobicContact CD2-CB 4.14Å; L68-L165 HydrophobicContact CD1-CD2 4.28Å
69L79.1Confident73.7Confident4 Ų470.5 Ų70.52%0.02137%0.368CS..Hα-helixtrans-60.1-44.1175.5-76.2167.4000111R55 L58 E65 E66 V72 F73R55-L69 HydrophobicContact CG-CD1 4.36Å; L58-L69 HydrophobicContact CB-CD2 3.54Å; L58-L69 HydrophobicContact CD1-CD2 3.71Å; L58-L69 HydrophobicContact CG-CD2 4.29Å; E65-L69 VanDerWaalsContact O-CG 3.29Å; E65-L69 WeakPolarHBondContact O-CG 3.37Å; E65-L69 PolarHBondContact O-N 2.87Å; E66-L69 PolarHBondContact O-N 2.74Å; L69-V72 PolarHBondContact O-N 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.27Å; L69-F73 PolarHBondContact O-N 3.26Å
70Q83.2Confident73.3Confident140 Ų14075.1 Ų75.165%0.65439%0.393SS*.Hα-helixtrans-61.9-45.1177.3-170.4170.33.400112E66 E67 L68 V72 F73 Q74E66-Q70 PolarHBondContact O-N 3.05Å; E67-Q70 PolarHBondContact O-N 3.5Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 2.85Å; Q70-V72 VanDerWaalsContact C-N 3.34Å; Q70-V72 PolarHBondContact O-N 3.07Å; Q70-F73 PolarHBondContact O-N 2.9Å; Q70-Q74 WeakPolarHBondContact O-CB 2.83Å; Q70-Q74 PolarHBondContact O-N 3.42Å
71D86.8Confident72.8Confident43 Ų4375.1 Ų75.123%0.2340%0.398CS..Hα-helixtrans-57.1-46.5172.6-81-18.3000111.3M1 E67 L68 Q74 F75 K142 L165M1-D71 WeakPolarHBondContact CE-O 3.48Å; E67-D71 PolarHBondContact O-N 2.97Å; L68-D71 WeakPolarHBondContact O-CB 3.5Å; L68-D71 PolarHBondContact O-N 2.73Å; D71-Q74 PolarHBondContact O-N 2.94Å; D71-F75 PolarHBondContact O-N 3.48Å; D71-K142 VanDerWaalsContact OD2-CE 3.32Å; D71-K142 WeakPolarHBondContact OD2-CE 3.35Å; D71-K142 IonicContact OD2-NZ 2.72Å; D71-K142 PolarHBondContact OD2-NZ 3.28Å; D71-L165 HydrophobicContact CB-CD1 4.32Å
72V87.6Confident72.4Confident2 Ų274 Ų741%0.01240%0.398CS..Hα-helixtrans-62.6-46179.5170.50000111.1L68 L69 Q70 Q74 F75 L76 L127 I145 L165L68-V72 HydrophobicContact CD1-CG2 4.08Å; L68-V72 WeakPolarHBondContact O-CB 3.45Å; L68-V72 VanDerWaalsContact O-CG2 3.26Å; L68-V72 WeakPolarHBondContact O-CG2 3.41Å; L68-V72 PolarHBondContact O-N 2.78Å; L69-V72 PolarHBondContact O-N 3.41Å; Q70-V72 VanDerWaalsContact C-N 3.34Å; Q70-V72 PolarHBondContact O-N 3.07Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.33Å; V72-F75 WeakPolarHBondContact O-CB 3.36Å; V72-F75 PolarHBondContact O-N 3.31Å; V72-F75 VanDerWaalsContact O-N 3.11Å; V72-L76 HydrophobicContact CG1-CD1 4.14Å; V72-L76 HydrophobicContact CG1-CG 4.31Å; V72-L76 WeakPolarHBondContact O-CG 3.4Å; V72-L76 PolarHBondContact O-N 3.33Å; V72-L127 HydrophobicContact CG1-CD1 4.26Å; V72-L127 HydrophobicContact CG1-CD2 3.98Å; V72-I145 HydrophobicContact CG2-CD1 3.76Å; V72-L165 HydrophobicContact CG2-CD2 4.22Å
73F86.8Confident71.6Confident38 Ų3872.3 Ų72.317%0.16740%0.397CS..Hα-helixtrans-62.4-40.7176.9-79.5-63.6000112.2S51 L54 L69 Q70 F75 L76 C77S51-F73 WeakPolarHBondContact O-CZ 3.48Å; L54-F73 HydrophobicContact CB-CE1 4.24Å; L54-F73 HydrophobicContact CB-CZ 4.05Å; L54-F73 HydrophobicContact CD1-CE1 4.08Å; L69-F73 WeakPolarHBondContact O-CD2 3.27Å; L69-F73 PolarHBondContact O-N 3.26Å; Q70-F73 PolarHBondContact O-N 2.9Å; F73-F75 VanDerWaalsContact C-N 3.27Å; F73-F75 PolarHBondContact O-N 3.41Å; F73-L76 HydrophobicContact CD1-CD1 4.3Å; F73-L76 PolarHBondContact O-N 2.9Å; F73-C77 PolarHBondContact O-N 3.42Å; F73-C77 VanDerWaalsContact O-N 3.1Å
74Q87.4Confident71.1Confident125 Ų12572.1 Ų72.158%0.58439%0.39SS*.Hα-helixtrans-61.8-37.9174.1-170.5176.94.900111.4M1 Q70 D71 V72 S78M1-Q74 HydrophobicContact CE-CB 4.28Å; Q70-Q74 WeakPolarHBondContact O-CB 2.83Å; Q70-Q74 PolarHBondContact O-N 3.42Å; D71-Q74 PolarHBondContact O-N 2.94Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.33Å; Q74-S78 WeakPolarHBondContact O-CB 3.47Å; Q74-S78 PolarHBondContact O-N 2.91Å
75F88.8Confident70.1Confident0 Ų070.4 Ų70.40%039%0.392CS..Hα-helixtrans-66.1-46.6175.8-172-132.7000112.7M1 D71 V72 F73 C77 S78 T125 I145 Q147 H163 L165M1-F75 HydrophobicContact CB-CD2 3.92Å; M1-F75 HydrophobicContact CB-CE2 4.11Å; M1-F75 HydrophobicContact CE-CB 3.78Å; M1-F75 HydrophobicContact CG-CD2 3.89Å; M1-F75 HydrophobicContact CG-CE2 4.46Å; M1-F75 WeakPolarHBondContact SD-CA 3.23Å; M1-F75 HydrophobicContact SD-CB 3.47Å; M1-F75 WeakPolarHBondContact SD-CB 3.24Å; M1-F75 HydrophobicContact SD-CD2 3.36Å; M1-F75 WeakPolarHBondContact SD-CD2 3.32Å; M1-F75 HydrophobicContact SD-CE2 4.41Å; M1-F75 HydrophobicContact SD-CG 3.81Å; D71-F75 PolarHBondContact O-N 3.48Å; V72-F75 WeakPolarHBondContact O-CB 3.36Å; V72-F75 PolarHBondContact O-N 3.31Å; V72-F75 VanDerWaalsContact O-N 3.11Å; F73-F75 VanDerWaalsContact C-N 3.27Å; F73-F75 PolarHBondContact O-N 3.41Å; F75-C77 VanDerWaalsContact C-N 3.29Å; F75-C77 PolarHBondContact O-N 3Å; F75-S78 PolarHBondContact O-N 3.38Å; F75-S78 PolarHBondContact O-OG 2.86Å; F75-T125 HydrophobicContact CD1-CG2 4.14Å; F75-T125 HydrophobicContact CE1-CG2 4.04Å; F75-I145 HydrophobicContact CD1-CG2 3.81Å; F75-I145 HydrophobicContact CE1-CG2 3.71Å; F75-Q147 HydrophobicContact CE1-CB 3.6Å; F75-Q147 HydrophobicContact CE2-CB 4.3Å; F75-Q147 HydrophobicContact CZ-CB 3.41Å; F75-Q147 VanDerWaalsContact CZ-CB 3.41Å; F75-H163 HydrophobicContact CE2-CB 3.91Å; F75-H163 HydrophobicContact CZ-CB 4.03Å; F75-L165 HydrophobicContact CB-CD1 3.64Å; F75-L165 HydrophobicContact CD1-CB 4.41Å; F75-L165 HydrophobicContact CD1-CD1 4.25Å; F75-L165 HydrophobicContact CD2-CD1 4.49Å; F75-L165 HydrophobicContact CG-CD1 3.9Å
76L86.9Confident68.9Low3 Ų376.1 Ų76.12%0.01642%0.419CS..Hα-helixtrans-57.7-43179-69.7176.4000111.8L54 V72 F73 W92 L116 T125L54-L76 HydrophobicContact CD1-CD1 4Å; V72-L76 HydrophobicContact CG1-CD1 4.14Å; V72-L76 HydrophobicContact CG1-CG 4.31Å; V72-L76 WeakPolarHBondContact O-CG 3.4Å; V72-L76 PolarHBondContact O-N 3.33Å; F73-L76 HydrophobicContact CD1-CD1 4.3Å; F73-L76 PolarHBondContact O-N 2.9Å; L76-W92 HydrophobicContact CB-CZ2 4.27Å; L76-W92 HydrophobicContact CD1-CZ2 4.38Å; L76-L116 HydrophobicContact CD1-CD1 4.03Å; L76-L116 HydrophobicContact CD2-CD1 3.99Å; L76-T125 HydrophobicContact CD2-CG2 3.7Å; L76-T125 WeakPolarHBondContact CD2-OG1 3.35Å
77C81.7Confident68.1Low67 Ų6781.2 Ų81.245%0.45344%0.443SS..THydrogen-bonded Turntrans-87.1-0.5-176.2-65.50000114.3F73 F75F73-C77 PolarHBondContact O-N 3.42Å; F73-C77 VanDerWaalsContact O-N 3.1Å; F75-C77 VanDerWaalsContact C-N 3.29Å; F75-C77 PolarHBondContact O-N 3Å
78S74.2Confident67.2Low32 Ų3280.3 Ų80.322%0.22444%0.437CS..  trans-79.2130.5-176.863.40000112.9Q74 F75 R149Q74-S78 WeakPolarHBondContact O-CB 3.47Å; Q74-S78 PolarHBondContact O-N 2.91Å; F75-S78 PolarHBondContact O-N 3.38Å; F75-S78 PolarHBondContact O-OG 2.86Å; S78-R149 PolarHBondContact O-NH1 2.83Å; S78-R149 PolarHBondContact O-NH2 3.49Å; S78-R149 PolarHBondContact OG-NH2 2.96Å
79G63.5Low66.6Low38 Ų3886.8 Ų86.839%0.39247%0.471SS..SBendtrans122.2146.6178.700000113.7R121G79-R121 PolarHBondContact O-NH1 3.08Å
80D55.8Low66.4Low164 Ų16490.7 Ų90.788%0.87749%0.488SS*.  trans-74.2133.3178.9-69.9-38.6000111.5
81S48.8Very low66.3Low56 Ų5686 Ų8639%0.39247%0.47SS..  trans-88.2129177-174.40000111.1A83S81-A83 VanDerWaalsContact C-N 3.3Å; S81-A83 PolarHBondContact OG-N 2.91Å; S81-A83 PolarHBondContact OG-O 2.92Å
82P44.6Very low66.5Low121 Ų12184.7 Ų84.779%0.78646%0.462SS*.SBendtrans-77.5-9.5169.2-12.427.9000114.3
83A41.5Very low66.8Low56 Ų5685.7 Ų85.746%0.46347%0.469SS..SBendtrans-136.1138.8-17300000113S81S81-A83 VanDerWaalsContact C-N 3.3Å; S81-A83 PolarHBondContact OG-N 2.91Å; S81-A83 PolarHBondContact OG-O 2.92Å
84H42.8Very low67.1Low164 Ų16484.3 Ų84.376%0.75946%0.464SS*.  trans0.6124.4173.6-60.8-73.9000119.2H86H84-H86 PolarHBondContact O-N 3.05Å
85T40.3Very low67.4Low148 Ų14878.7 Ų78.791%0.90844%0.438SS*.  trans-62.777.315646.40000110.5
86H41.7Very low67.7Low150 Ų15080 Ų8069%0.69445%0.446SS*.  trans-112.4103.3157.1-79.2-62.7000107.1H84 K88H84-H86 PolarHBondContact O-N 3.05Å; H86-K88 PolarHBondContact O-N 3.42Å
87Q54.7Low68Low199 Ų19979.9 Ų79.993%0.9345%0.446SS*.  trans-60.198.2168.9-84.6169.7-34.100108
88K58.1Low68.6Low118 Ų11877.8 Ų77.851%0.51343%0.431SS..  trans-67.1139155.6-77.2176-172.9143.70107.3H86 K90 D120H86-K88 PolarHBondContact O-N 3.42Å; K88-K90 PolarHBondContact O-N 3.26Å; K88-D120 IonicContact NZ-OD1 3.59Å; K88-D120 PolarHBondContact NZ-OD1 3.3Å; K88-D120 VanDerWaalsContact NZ-OD1 3.14Å; K88-D120 IonicContact NZ-OD2 3.59Å; K88-D120 PolarHBondContact NZ-OD2 2.69Å
89D64.8Low69.5Low154 Ų15477.1 Ų77.182%0.82442%0.424SS*.SBendtrans-55.4-33.9174.1-67.1-34.6000111.3D50D50-D89 WeakPolarHBondContact CB-O 3.42Å
90K74.9Confident70.9Confident87 Ų8776 Ų7638%0.37841%0.409SS..  trans-123.594.2177.6-71.8162172.3-86.10111.1D48 D50 D53 K88D48-K90 HydrophobicContact CB-CB 3.99Å; D48-K90 HydrophobicContact CB-CD 4.17Å; D48-K90 WeakPolarHBondContact O-CD 3.49Å; D48-K90 PolarHBondContact O-NZ 2.82Å; D50-K90 HydrophobicContact CB-CG 4Å; D53-K90 IonicContact OD2-NZ 2.78Å; D53-K90 PolarHBondContact OD2-NZ 2.93Å; K88-K90 PolarHBondContact O-N 3.26Å
91P81.8Confident72.6Confident42 Ų4269.7 Ų69.727%0.27338%0.376SS..  trans-81.5-14.8-173.229.7-32.7000114.2
92W90.5Very high74.5Confident14 Ų1471.8 Ų71.85%0.05338%0.379CS..EExtended strand (participates in β ladder)trans-115.9139.4-176.8-57.1-68.1000112.7D48 V49 L54 L76 K117D48-W92 CarbonylContact C-O 3.46Å; D48-W92 WeakPolarHBondContact CA-O 3.35Å; V49-W92 HydrophobicContact CG2-CB 3.88Å; V49-W92 PolarHBondContact N-O 3.45Å; V49-W92 PolarHBondContact O-N 2.87Å; L54-W92 HydrophobicContact CD1-CD2 3.96Å; L54-W92 HydrophobicContact CD1-CE3 3.34Å; L54-W92 HydrophobicContact CD1-CH2 4.31Å; L54-W92 HydrophobicContact CD1-CZ3 3.56Å; L54-W92 HydrophobicContact CG-CE3 4.35Å; L76-W92 HydrophobicContact CB-CZ2 4.27Å; L76-W92 HydrophobicContact CD1-CZ2 4.38Å; W92-K117 WeakPolarHBondContact CA-O 3.28Å
93S92.8Very high76.4Confident24 Ų2471.4 Ų71.417%0.16837%0.374CS..EExtended strand (participates in β ladder)trans-92.1118.3161.8166.80000108.7S46 K117S46-S93 PolarHBondContact OG-OG 3.21Å; S93-K117 PolarHBondContact N-O 2.9Å; S93-K117 PolarHBondContact O-N 2.85Å
94S93.3Very high78.4Confident8 Ų873.5 Ų73.56%0.05638%0.377CS..EExtended strand (participates in β ladder)trans-102.7143.5-178.2-1780000111.7S46 R47 V114 V115S46-S94 VanDerWaalsContact CA-O 3.31Å; S46-S94 WeakPolarHBondContact CA-O 3.49Å; R47-S94 PolarHBondContact N-O 3.1Å; R47-S94 PolarHBondContact O-N 2.81Å; S94-V114 WeakPolarHBondContact OG-CG1 3.22Å; S94-V115 WeakPolarHBondContact CA-O 3.43Å
95T94.8Very high80.3Confident7 Ų769.6 Ų69.64%0.04337%0.368CS..EExtended strand (participates in β ladder)trans-149.2133.7171.1-59.10000109.2E43 T44 S46 V115E43-T95 HydrophobicContact CB-CG2 3.9Å; T44-T95 WeakPolarHBondContact O-CG2 3.43Å; S46-T95 WeakPolarHBondContact CB-OG1 3.32Å; T95-V115 PolarHBondContact N-O 3.25Å; T95-V115 PolarHBondContact O-N 3.4Å
96V93.5Very high82.4Confident28 Ų2864.3 Ų64.317%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-90.9124.5171.6178.50000109.3E43 T44 K112 E113 V114 F129E43-V96 CarbonylContact C-O 3.54Å; E43-V96 WeakPolarHBondContact CA-O 3.05Å; T44-V96 HydrophobicContact CG2-CB 4.18Å; T44-V96 PolarHBondContact N-O 3.11Å; T44-V96 WeakPolarHBondContact OG1-CA 3.39Å; T44-V96 WeakPolarHBondContact OG1-CB 2.94Å; T44-V96 PolarHBondContact OG1-N 2.94Å; T44-V96 PolarHBondContact OG1-O 3.37Å; T44-V96 VanDerWaalsContact OG1-O 3.12Å; V96-K112 HydrophobicContact CG1-CB 4.23Å; V96-K112 HydrophobicContact CG1-CD 4.16Å; V96-E113 WeakPolarHBondContact CA-O 3.36Å; V96-V114 HydrophobicContact CG2-CG2 4.38Å; V96-F129 HydrophobicContact CG1-CE1 3.99Å; V96-F129 HydrophobicContact CG1-CZ 3.64Å; V96-F129 HydrophobicContact CG2-CZ 4.42Å
97R94.6Very high84.4Confident1 Ų159.8 Ų59.80%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-103.3138.1168.472.2176.2-177.7179.5-5.8111.3W27 T42 K112 E113 V115 Y146W27-R97 PolarHBondContact O-NH1 3.06Å; T42-R97 CarbonylContact O-C 3.55Å; T42-R97 VanDerWaalsContact O-CA 3.23Å; T42-R97 WeakPolarHBondContact O-CA 3.41Å; R97-K112 CarbonylContact O-C 3.59Å; R97-K112 VanDerWaalsContact O-CA 3.24Å; R97-K112 WeakPolarHBondContact O-CA 3.27Å; R97-E113 HydrophobicContact CG-CB 3.92Å; R97-E113 IonicContact CZ-OE2 3.32Å; R97-E113 PolarHBondContact N-O 3.06Å; R97-E113 IonicContact NE-OE2 3.41Å; R97-E113 PolarHBondContact NE-OE2 2.86Å; R97-E113 IonicContact NH2-OE2 3.18Å; R97-E113 PolarHBondContact NH2-OE2 3.35Å; R97-E113 PolarHBondContact O-N 3.17Å; R97-V115 HydrophobicContact CG-CG2 4.01Å; R97-Y146 PolarHBondContact NH2-OH 2.89Å; R97-Y146 VanDerWaalsContact NH2-OH 3.12Å
98T93.8Very high85.8Confident23 Ų2353.5 Ų53.514%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-112.2125.9175.2-550000109.5A41 T42 Q110 K112A41-T98 CarbonylContact C-O 3.53Å; A41-T98 WeakPolarHBondContact CA-O 3.24Å; A41-T98 WeakPolarHBondContact CB-O 3.42Å; T42-T98 PolarHBondContact N-O 3.36Å; T42-T98 PolarHBondContact O-N 2.89Å; T98-Q110 HydrophobicContact CG2-CB 4.5Å; T98-K112 HydrophobicContact CG2-CD 4.48Å; T98-K112 HydrophobicContact CG2-CG 4Å; T98-K112 VanDerWaalsContact OG1-CE 3.27Å; T98-K112 WeakPolarHBondContact OG1-CE 3.46Å
99F94.1Very high87.1Confident17 Ų1752.2 Ų52.28%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-78.4138.7-178.5-68-65000112.4P31 L38 P101 Q111 E113 A176P31-F99 HydrophobicContact CB-CE1 4.47Å; P31-F99 HydrophobicContact CG-CD1 4.37Å; P31-F99 HydrophobicContact CG-CE1 4.28Å; L38-F99 HydrophobicContact CD1-CD1 3.73Å; L38-F99 HydrophobicContact CD1-CE1 4.05Å; L38-F99 HydrophobicContact CD2-CB 4.05Å; L38-F99 HydrophobicContact CD2-CD1 4.22Å; L38-F99 HydrophobicContact CD2-CG 4.41Å; F99-P101 WeakPolarHBondContact O-CD 3.33Å; F99-Q111 HydrophobicContact CD2-CB 4.2Å; F99-Q111 WeakPolarHBondContact CD2-O 3.25Å; F99-Q111 PolarHBondContact N-O 2.97Å; F99-E113 HydrophobicContact CE2-CG 4.03Å; F99-E113 HydrophobicContact CZ-CG 4.43Å; F99-E113 WeakPolarHBondContact CZ-OE2 3.34Å; F99-A176 HydrophobicContact CD2-CB 3.95Å; F99-A176 HydrophobicContact CE2-CB 4.39Å
100I92.4Very high88.3Confident16 Ų1648.1 Ų48.18%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-107.998.1172.2-54.8169.7000107.9C39 G40 T42 V212 E213C39-I100 HydrophobicContact CB-CB 4.37Å; C39-I100 HydrophobicContact CB-CG2 3.89Å; C39-I100 PolarHBondContact N-O 2.95Å; G40-I100 PolarHBondContact N-O 3.1Å; G40-I100 PolarHBondContact O-N 2.87Å; T42-I100 HydrophobicContact CG2-CD1 4.18Å; I100-V212 HydrophobicContact CD1-CB 3.98Å; I100-V212 HydrophobicContact CD1-CG1 3.95Å; I100-E213 HydrophobicContact CD1-CB 4.01Å
101P91.7Very high89.1Confident30 Ų3044.2 Ų44.220%0.19526%0.26CS..EExtended strand (participates in β ladder)trans-72.7150.4-179.631.7-36.3000111.5F99 Y106 V175F99-P101 WeakPolarHBondContact O-CD 3.33Å; P101-Y106 HydrophobicContact CB-CE2 4.15Å; P101-Y106 HydrophobicContact CG-CD2 4.16Å; P101-Y106 HydrophobicContact CG-CE2 4.18Å; P101-V175 HydrophobicContact CB-CG1 3.86Å
102K88.3Confident89.6Confident101 Ų10143.5 Ų43.544%0.43925%0.253SS..SBendtrans-73.4-31.8176.3-171.5175.9-177.2179.80112.7R37 C39R37-K102 WeakPolarHBondContact O-CB 3.29Å; R37-K102 PolarHBondContact O-N 3.42Å; C39-K102 VanDerWaalsContact SG-CA 3.58Å
103V85.2Confident89.8Confident112 Ų11243 Ų4368%0.67925%0.251SS*.SBendtrans-125.2118.4171.5179.10000105.6C105V103-C105 PolarHBondContact O-N 3.11Å; V103-C105 VanDerWaalsContact O-N 3.11Å
104N82.1Confident89.9Confident101 Ų10142.2 Ų42.254%0.5425%0.245SC..  trans-74.3104.7178.3-174.97.4000109.5Y106 G107N104-Y106 PolarHBondContact OD1-N 3.45Å; N104-G107 PolarHBondContact ND2-O 3.12Å
105C82.8Confident90Very high82 Ų8241.8 Ų41.855%0.55424%0.242SC*.  trans-101.94.3173.955.10000113.3V103V103-C105 PolarHBondContact O-N 3.11Å; V103-C105 VanDerWaalsContact O-N 3.11Å
106Y83.8Confident90Very high37 Ų3741.5 Ų41.515%0.14524%0.241CC..SBendtrans-105.70-172.2-52.8-67.3000113.8P101 N104 A108 K109 Q111 D173 V175 A176P101-Y106 HydrophobicContact CB-CE2 4.15Å; P101-Y106 HydrophobicContact CG-CD2 4.16Å; P101-Y106 HydrophobicContact CG-CE2 4.18Å; N104-Y106 PolarHBondContact OD1-N 3.45Å; Y106-A108 PolarHBondContact O-N 2.82Å; Y106-K109 WeakPolarHBondContact CB-O 3.33Å; Y106-K109 WeakPolarHBondContact O-CB 3.41Å; Y106-K109 PolarHBondContact O-N 2.87Å; Y106-K109 VanDerWaalsContact O-N 3.12Å; Y106-Q111 HydrophobicContact CD1-CG 3.79Å; Y106-Q111 HydrophobicContact CD2-CG 3.78Å; Y106-Q111 HydrophobicContact CE1-CG 3.78Å; Y106-Q111 HydrophobicContact CE2-CG 3.76Å; Y106-Q111 HydrophobicContact CG-CG 3.78Å; Y106-D173 WeakPolarHBondContact CE1-OD2 3.45Å; Y106-D173 VanDerWaalsContact CZ-OD2 3.23Å; Y106-D173 VanDerWaalsContact OH-CG 3.24Å; Y106-D173 PolarHBondContact OH-OD2 3.11Å; Y106-V175 HydrophobicContact CE2-CG1 4.31Å; Y106-V175 WeakPolarHBondContact OH-CB 3.4Å; Y106-A176 HydrophobicContact CE2-CB 4.45Å; Y106-A176 VanDerWaalsContact OH-CB 3.26Å; Y106-A176 WeakPolarHBondContact OH-CB 3.38Å; Y106-A176 PolarHBondContact OH-N 2.7Å; Y106-A176 VanDerWaalsContact OH-N 3.08Å
107G84.9Confident90.1Very high54 Ų5442.2 Ų42.256%0.55724%0.241SC*.THydrogen-bonded Turntrans62.2-124.9-176.900000111.1N104N104-G107 PolarHBondContact ND2-O 3.12Å
108A83.2Confident90Very high67 Ų6742.7 Ų42.755%0.55424%0.244SC*.THydrogen-bonded Turntrans-83-10.6178.100000113.8Y106Y106-A108 PolarHBondContact O-N 2.82Å
109K86.5Confident89.7Confident91 Ų9144.6 Ų44.640%0.39626%0.258SS..EExtended strand (participates in β ladder)trans-78.8136.6-178.1-65.1-178.4166.3-1630111.5Y106 E130 E131Y106-K109 WeakPolarHBondContact CB-O 3.33Å; Y106-K109 WeakPolarHBondContact O-CB 3.41Å; Y106-K109 PolarHBondContact O-N 2.87Å; Y106-K109 VanDerWaalsContact O-N 3.12Å; K109-E130 IonicContact NZ-OE2 2.63Å; K109-E130 PolarHBondContact NZ-OE2 3.07Å; K109-E131 WeakPolarHBondContact CA-O 3.36Å
110Q88.4Confident89.4Confident69 Ų6947.4 Ų47.432%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-99133.4172.2-63.1-170.3-24.100110.3T98 K112 E130 E131T98-Q110 HydrophobicContact CG2-CB 4.5Å; Q110-K112 HydrophobicContact CB-CG 4.46Å; Q110-K112 VanDerWaalsContact OE1-NZ 3.13Å; Q110-E130 WeakPolarHBondContact O-CA 3.27Å; Q110-E131 PolarHBondContact N-O 3.29Å; Q110-E131 PolarHBondContact O-N 3.24Å
111Q92.4Very high89.1Confident5 Ų550.5 Ų50.52%0.02329%0.285CS..EExtended strand (participates in β ladder)trans-94.8117.5175.4-53.1-56.4-50.100108.5F99 Y106 A176 Y177F99-Q111 HydrophobicContact CD2-CB 4.2Å; F99-Q111 WeakPolarHBondContact CD2-O 3.25Å; F99-Q111 PolarHBondContact N-O 2.97Å; Y106-Q111 HydrophobicContact CD1-CG 3.79Å; Y106-Q111 HydrophobicContact CD2-CG 3.78Å; Y106-Q111 HydrophobicContact CE1-CG 3.78Å; Y106-Q111 HydrophobicContact CE2-CG 3.76Å; Y106-Q111 HydrophobicContact CG-CG 3.78Å; Q111-A176 HydrophobicContact CB-CB 3.56Å; Q111-A176 HydrophobicContact CG-CB 3.76Å; Q111-Y177 VanDerWaalsContact OE1-CZ 3.22Å; Q111-Y177 PolarHBondContact OE1-OH 2.85Å
112K93Very high89.2Confident27 Ų2750.8 Ų50.812%0.11728%0.283CS..EExtended strand (participates in β ladder)trans-127.2160.7-175.4-61.5-171179.6-1790110.7V96 R97 T98 Q110 P128 F129 E131V96-K112 HydrophobicContact CG1-CB 4.23Å; V96-K112 HydrophobicContact CG1-CD 4.16Å; R97-K112 CarbonylContact O-C 3.59Å; R97-K112 VanDerWaalsContact O-CA 3.24Å; R97-K112 WeakPolarHBondContact O-CA 3.27Å; T98-K112 HydrophobicContact CG2-CD 4.48Å; T98-K112 HydrophobicContact CG2-CG 4Å; T98-K112 VanDerWaalsContact OG1-CE 3.27Å; T98-K112 WeakPolarHBondContact OG1-CE 3.46Å; Q110-K112 HydrophobicContact CB-CG 4.46Å; Q110-K112 VanDerWaalsContact OE1-NZ 3.13Å; K112-P128 WeakPolarHBondContact O-CA 3.46Å; K112-F129 HydrophobicContact CB-CD1 4.08Å; K112-F129 HydrophobicContact CB-CD2 3.97Å; K112-F129 HydrophobicContact CB-CE1 3.62Å; K112-F129 HydrophobicContact CB-CE2 3.56Å; K112-F129 HydrophobicContact CB-CG 4.26Å; K112-F129 HydrophobicContact CB-CZ 3.37Å; K112-F129 HydrophobicContact CD-CE2 3.72Å; K112-F129 HydrophobicContact CD-CZ 3.84Å; K112-F129 HydrophobicContact CG-CE2 4.14Å; K112-F129 HydrophobicContact CG-CZ 4.2Å; K112-F129 PolarHBondContact N-O 3.02Å; K112-F129 PolarHBondContact O-N 3.02Å; K112-E131 HydrophobicContact CD-CB 4.45Å; K112-E131 WeakPolarHBondContact CD-OE2 3.37Å; K112-E131 VanDerWaalsContact CE-OE2 3.24Å; K112-E131 WeakPolarHBondContact CE-OE2 3.49Å; K112-E131 IonicContact NZ-OE1 2.67Å; K112-E131 IonicContact NZ-OE2 3.45Å; K112-E131 PolarHBondContact NZ-OE2 3.17Å
113E94.3Very high89.5Confident4 Ų446.5 Ų46.52%0.01927%0.265CS..EExtended strand (participates in β ladder)trans-139.4131.4172.9-86176.7157.600109.9V96 R97 F99 L127 P128V96-E113 WeakPolarHBondContact CA-O 3.36Å; R97-E113 HydrophobicContact CG-CB 3.92Å; R97-E113 IonicContact CZ-OE2 3.32Å; R97-E113 PolarHBondContact N-O 3.06Å; R97-E113 IonicContact NE-OE2 3.41Å; R97-E113 PolarHBondContact NE-OE2 2.86Å; R97-E113 IonicContact NH2-OE2 3.18Å; R97-E113 PolarHBondContact NH2-OE2 3.35Å; R97-E113 PolarHBondContact O-N 3.17Å; F99-E113 HydrophobicContact CE2-CG 4.03Å; F99-E113 HydrophobicContact CZ-CG 4.43Å; F99-E113 WeakPolarHBondContact CZ-OE2 3.34Å; E113-L127 CarbonylContact C-O 3.53Å; E113-L127 WeakPolarHBondContact CA-O 3.14Å; E113-P128 HydrophobicContact CG-CB 3.69Å
114V93.9Very high90Very high6 Ų641.1 Ų41.14%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-76.5123.6161.9-169.50000107.4S94 V96 L116 F126 L127 F129S94-V114 WeakPolarHBondContact OG-CG1 3.22Å; V96-V114 HydrophobicContact CG2-CG2 4.38Å; V114-L116 HydrophobicContact CG1-CD2 3.67Å; V114-L116 HydrophobicContact CG1-CG 4.01Å; V114-F126 WeakPolarHBondContact O-CA 3.33Å; V114-L127 HydrophobicContact CB-CB 4.13Å; V114-L127 PolarHBondContact N-O 3.46Å; V114-L127 PolarHBondContact O-N 2.94Å; V114-F129 HydrophobicContact CG2-CD1 3.91Å; V114-F129 HydrophobicContact CG2-CE1 3.54Å
115V96.2Very high90.6Very high0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-103.4111.6174.5-174.20000107.5V28 S94 T95 R97 K117 V124 T125 F126V28-V115 HydrophobicContact CG1-CG2 4.38Å; V28-V115 HydrophobicContact CG2-CG1 3.85Å; V28-V115 HydrophobicContact CG2-CG2 4.27Å; S94-V115 WeakPolarHBondContact CA-O 3.43Å; T95-V115 PolarHBondContact N-O 3.25Å; T95-V115 PolarHBondContact O-N 3.4Å; R97-V115 HydrophobicContact CG-CG2 4.01Å; V115-K117 HydrophobicContact CG1-CG 4.46Å; V115-V124 HydrophobicContact CG1-CG2 3.62Å; V115-T125 WeakPolarHBondContact CA-O 3.48Å; V115-F126 HydrophobicContact CG1-CD1 4.29Å; V115-F126 HydrophobicContact CG1-CE1 3.91Å; V115-F126 HydrophobicContact CG1-CZ 4.4Å; V115-F126 HydrophobicContact CG2-CD1 3.89Å; V115-F126 HydrophobicContact CG2-CE1 3.98Å
116L95Very high91.3Very high1 Ų132.6 Ų32.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-104.3119.8178.9-60.7178.2000109.7V49 L54 L76 V114 V124 T125 L127V49-L116 HydrophobicContact CG2-CD2 4.27Å; L54-L116 HydrophobicContact CD1-CD1 4.03Å; L54-L116 HydrophobicContact CD2-CD1 3.6Å; L54-L116 HydrophobicContact CD2-CD2 3.6Å; L54-L116 HydrophobicContact CD2-CG 4.23Å; L76-L116 HydrophobicContact CD1-CD1 4.03Å; L76-L116 HydrophobicContact CD2-CD1 3.99Å; V114-L116 HydrophobicContact CG1-CD2 3.67Å; V114-L116 HydrophobicContact CG1-CG 4.01Å; L116-V124 CarbonylContact O-C 3.6Å; L116-V124 VanDerWaalsContact O-CA 3.28Å; L116-V124 WeakPolarHBondContact O-CA 3.35Å; L116-T125 PolarHBondContact N-O 2.87Å; L116-T125 PolarHBondContact O-N 3.48Å; L116-L127 HydrophobicContact CD1-CD1 3.6Å; L116-L127 HydrophobicContact CD1-CG 4.36Å; L116-L127 HydrophobicContact CG-CD1 4.37Å
117K94.7Very high91.7Very high42 Ų4230.9 Ų30.918%0.18318%0.175CC..EExtended strand (participates in β ladder)trans-106119.5179.4-57.3-179.4-175.3167.70109.1W21 W92 S93 V115 V124W21-K117 HydrophobicContact CE3-CD 4.22Å; W21-K117 HydrophobicContact CH2-CB 3.83Å; W21-K117 HydrophobicContact CH2-CG 4.38Å; W21-K117 HydrophobicContact CZ3-CB 3.63Å; W21-K117 HydrophobicContact CZ3-CD 3.87Å; W21-K117 HydrophobicContact CZ3-CG 3.69Å; W92-K117 WeakPolarHBondContact CA-O 3.28Å; S93-K117 PolarHBondContact N-O 2.9Å; S93-K117 PolarHBondContact O-N 2.85Å; V115-K117 HydrophobicContact CG1-CG 4.46Å; K117-V124 HydrophobicContact CG-CG2 4.21Å
118D93.1Very high92.1Very high11 Ų1128.3 Ų28.36%0.05915%0.148CC..EExtended strand (participates in β ladder)trans-103.595.6168.4-173.3-29.4000107.9W21 D120 R121 Q122 H123W21-D118 WeakPolarHBondContact CZ2-O 3.46Å; D118-D120 VanDerWaalsContact C-N 3.25Å; D118-D120 PolarHBondContact O-N 3.39Å; D118-D120 PolarHBondContact OD1-N 3.25Å; D118-D120 VanDerWaalsContact OD1-N 3.1Å; D118-R121 HydrophobicContact CB-CB 4.47Å; D118-R121 PolarHBondContact OD1-N 3.13Å; D118-R121 VanDerWaalsContact OD2-CD 3.28Å; D118-R121 WeakPolarHBondContact OD2-CD 3.5Å; D118-R121 WeakPolarHBondContact OD2-CG 3.28Å; D118-R121 IonicContact OD2-NE 2.83Å; D118-Q122 WeakPolarHBondContact O-CA 3.43Å; D118-Q122 PolarHBondContact O-N 2.79Å; D118-H123 HydrophobicContact CB-CB 4.24Å; D118-H123 PolarHBondContact N-O 3.3Å; D118-H123 PolarHBondContact O-N 3.23Å
119S88.5Confident92.5Very high63 Ų6326.1 Ų26.144%0.44113%0.126SC..THydrogen-bonded Turntrans-70.3-22.4-179.2-63.40000113.2Q122S119-Q122 PolarHBondContact O-NE2 3.02Å
120D86.2Confident92.6Very high77 Ų7723 Ų2341%0.41211%0.113SC..THydrogen-bonded Turntrans-79.9-40.1-177.9-64.2-28.3000109.8K88 D118K88-D120 IonicContact NZ-OD1 3.59Å; K88-D120 PolarHBondContact NZ-OD1 3.3Å; K88-D120 VanDerWaalsContact NZ-OD1 3.14Å; K88-D120 IonicContact NZ-OD2 3.59Å; K88-D120 PolarHBondContact NZ-OD2 2.69Å; D118-D120 VanDerWaalsContact C-N 3.25Å; D118-D120 PolarHBondContact O-N 3.39Å; D118-D120 PolarHBondContact OD1-N 3.25Å; D118-D120 VanDerWaalsContact OD1-N 3.1Å
121R87.8Confident92.6Very high80 Ų8022.4 Ų22.430%0.30211%0.111SC..THydrogen-bonded Turntrans-90.1-7.2176-60.2-176.4-178.6-111.21.1114.9G79 D118 H123G79-R121 PolarHBondContact O-NH1 3.08Å; D118-R121 HydrophobicContact CB-CB 4.47Å; D118-R121 PolarHBondContact OD1-N 3.13Å; D118-R121 VanDerWaalsContact OD2-CD 3.28Å; D118-R121 WeakPolarHBondContact OD2-CD 3.5Å; D118-R121 WeakPolarHBondContact OD2-CG 3.28Å; D118-R121 IonicContact OD2-NE 2.83Å; R121-H123 VanDerWaalsContact C-N 3.32Å; R121-H123 PolarHBondContact O-CD2 3.45Å; R121-H123 PolarHBondContact O-N 2.84Å; R121-H123 PolarHBondContact O-NE2 2.88Å
122Q92.6Very high92.1Very high36 Ų3624.2 Ų24.217%0.16812%0.12CC..THydrogen-bonded Turntrans60.439.6-173.9-49.6-64.1-35.400113.2F20 D118 S119 L150F20-Q122 WeakPolarHBondContact CE1-O 3.23Å; D118-Q122 WeakPolarHBondContact O-CA 3.43Å; D118-Q122 PolarHBondContact O-N 2.79Å; S119-Q122 PolarHBondContact O-NE2 3.02Å; Q122-L150 HydrophobicContact CB-CB 3.9Å; Q122-L150 HydrophobicContact CB-CD2 4.46Å; Q122-L150 PolarHBondContact O-N 3.21Å; Q122-L150 VanDerWaalsContact O-N 3.08Å
123H94Very high91.2Very high11 Ų1126.3 Ų26.35%0.05114%0.139CC..EExtended strand (participates in β ladder)trans-112.9142.3179.3-61174000110.8W21 D118 R121 Q147 L148W21-H123 WeakPolarHBondContact CH2-O 3.42Å; D118-H123 HydrophobicContact CB-CB 4.24Å; D118-H123 PolarHBondContact N-O 3.3Å; D118-H123 PolarHBondContact O-N 3.23Å; R121-H123 VanDerWaalsContact C-N 3.32Å; R121-H123 PolarHBondContact O-CD2 3.45Å; R121-H123 PolarHBondContact O-N 2.84Å; R121-H123 PolarHBondContact O-NE2 2.88Å; H123-Q147 HydrophobicContact CB-CG 4.43Å; H123-L148 WeakPolarHBondContact CA-O 3.35Å
124V96.2Very high90Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-128.8126.7166.259.70000110.5F20 W21 V24 V115 L116 K117 F126 Q147 L148F20-V124 HydrophobicContact CZ-CG1 3.99Å; W21-V124 HydrophobicContact CZ3-CB 4.22Å; V24-V124 HydrophobicContact CG1-CB 4.29Å; V24-V124 HydrophobicContact CG1-CG1 3.99Å; V24-V124 HydrophobicContact CG1-CG2 4Å; V24-V124 HydrophobicContact CG2-CG1 3.8Å; V115-V124 HydrophobicContact CG1-CG2 3.62Å; L116-V124 CarbonylContact O-C 3.6Å; L116-V124 VanDerWaalsContact O-CA 3.28Å; L116-V124 WeakPolarHBondContact O-CA 3.35Å; K117-V124 HydrophobicContact CG-CG2 4.21Å; V124-F126 HydrophobicContact CB-CE2 4.44Å; V124-F126 HydrophobicContact CG1-CE2 3.89Å; V124-F126 HydrophobicContact CG1-CZ 4.21Å; V124-F126 HydrophobicContact CG2-CE2 3.88Å; V124-F126 HydrophobicContact CG2-CZ 3.81Å; V124-Q147 CarbonylContact O-C 3.54Å; V124-Q147 VanDerWaalsContact O-CA 3.25Å; V124-Q147 WeakPolarHBondContact O-CA 3.46Å; V124-Q147 WeakPolarHBondContact O-CG 3.41Å; V124-L148 HydrophobicContact CG1-CB 3.76Å; V124-L148 HydrophobicContact CG1-CD1 4.1Å; V124-L148 HydrophobicContact CG1-CG 4.38Å; V124-L148 PolarHBondContact N-O 3.38Å; V124-L148 PolarHBondContact O-N 3.43Å
125T96Very high88.8Confident3 Ų333.4 Ų33.42%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-112.1140.2-178.5-46.20000110.2F75 L76 V115 L116 L127 I145 Q147F75-T125 HydrophobicContact CD1-CG2 4.14Å; F75-T125 HydrophobicContact CE1-CG2 4.04Å; L76-T125 HydrophobicContact CD2-CG2 3.7Å; L76-T125 WeakPolarHBondContact CD2-OG1 3.35Å; V115-T125 WeakPolarHBondContact CA-O 3.48Å; L116-T125 PolarHBondContact N-O 2.87Å; L116-T125 PolarHBondContact O-N 3.48Å; T125-L127 HydrophobicContact CG2-CD2 3.85Å; T125-L127 HydrophobicContact CG2-CG 4.43Å; T125-I145 HydrophobicContact CG2-CG2 4.33Å; T125-Q147 HydrophobicContact CG2-CB 4.41Å; T125-Q147 PolarHBondContact OG1-NE2 3.37Å
126F96Very high87.5Confident0 Ų036.6 Ų36.60%023%0.231CC..EExtended strand (participates in β ladder)trans-115.9117.8178.3-59.4-95.8000108.8W27 V28 V114 V115 V124 P128 Y146 L148W27-F126 AromaticContact CD1-CE1 3.84Å; W27-F126 AromaticContact CD1-CZ 3.6Å; W27-F126 AromaticContact NE1-CE1 3.85Å; W27-F126 AromaticContact NE1-CZ 3.85Å; V28-F126 HydrophobicContact CG2-CE1 4.09Å; V28-F126 HydrophobicContact CG2-CZ 4.5Å; V114-F126 WeakPolarHBondContact O-CA 3.33Å; V115-F126 HydrophobicContact CG1-CD1 4.29Å; V115-F126 HydrophobicContact CG1-CE1 3.91Å; V115-F126 HydrophobicContact CG1-CZ 4.4Å; V115-F126 HydrophobicContact CG2-CD1 3.89Å; V115-F126 HydrophobicContact CG2-CE1 3.98Å; V124-F126 HydrophobicContact CB-CE2 4.44Å; V124-F126 HydrophobicContact CG1-CE2 3.89Å; V124-F126 HydrophobicContact CG1-CZ 4.21Å; V124-F126 HydrophobicContact CG2-CE2 3.88Å; V124-F126 HydrophobicContact CG2-CZ 3.81Å; F126-P128 WeakPolarHBondContact O-CD 3Å; F126-Y146 HydrophobicContact CB-CD1 3.86Å; F126-Y146 HydrophobicContact CB-CE1 3.4Å; F126-Y146 HydrophobicContact CB-CE2 4.21Å; F126-Y146 HydrophobicContact CB-CG 4.42Å; F126-Y146 AromaticContact CD1-CZ 3.94Å; F126-Y146 WeakPolarHBondContact CD1-OH 3.49Å; F126-Y146 HydrophobicContact CD2-CD1 4.46Å; F126-Y146 AromaticContact CD2-CD2 3.7Å; F126-Y146 HydrophobicContact CD2-CD2 3.7Å; F126-Y146 HydrophobicContact CD2-CE1 4.02Å; F126-Y146 AromaticContact CD2-CE2 3.17Å; F126-Y146 HydrophobicContact CD2-CE2 3.17Å; F126-Y146 HydrophobicContact CD2-CG 4.32Å; F126-Y146 AromaticContact CD2-CZ 3.35Å; F126-Y146 HydrophobicContact CE2-CD2 4.3Å; F126-Y146 AromaticContact CE2-CE2 3.57Å; F126-Y146 HydrophobicContact CE2-CE2 3.57Å; F126-Y146 AromaticContact CE2-CZ 3.98Å; F126-Y146 HydrophobicContact CG-CD1 4.43Å; F126-Y146 HydrophobicContact CG-CD2 4.41Å; F126-Y146 AromaticContact CG-CE1 3.74Å; F126-Y146 HydrophobicContact CG-CE1 3.74Å; F126-Y146 AromaticContact CG-CE2 3.73Å; F126-Y146 HydrophobicContact CG-CE2 3.73Å; F126-Y146 AromaticContact CG-CZ 3.33Å; F126-Y146 WeakPolarHBondContact CG-OH 3.46Å; F126-Y146 HydrophobicContact CZ-CE2 4.41Å; F126-Y146 PolarHBondContact N-O 3.04Å; F126-Y146 PolarHBondContact O-N 2.86Å; F126-L148 HydrophobicContact CE2-CD1 3.94Å; F126-L148 HydrophobicContact CE2-CG 4.31Å; F126-L148 HydrophobicContact CZ-CD1 4.43Å
127L93.9Very high86.6Confident1 Ų144.5 Ų44.51%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-111.198.1179.9-51.5177.6000109L58 V72 E113 V114 L116 T125 L140 I145L58-L127 HydrophobicContact CD1-CD1 4.14Å; L58-L127 HydrophobicContact CD2-CD1 4.2Å; V72-L127 HydrophobicContact CG1-CD1 4.26Å; V72-L127 HydrophobicContact CG1-CD2 3.98Å; E113-L127 CarbonylContact C-O 3.53Å; E113-L127 WeakPolarHBondContact CA-O 3.14Å; V114-L127 HydrophobicContact CB-CB 4.13Å; V114-L127 PolarHBondContact N-O 3.46Å; V114-L127 PolarHBondContact O-N 2.94Å; L116-L127 HydrophobicContact CD1-CD1 3.6Å; L116-L127 HydrophobicContact CD1-CG 4.36Å; L116-L127 HydrophobicContact CG-CD1 4.37Å; T125-L127 HydrophobicContact CG2-CD2 3.85Å; T125-L127 HydrophobicContact CG2-CG 4.43Å; L127-L140 HydrophobicContact CB-CD1 4.27Å; L127-I145 HydrophobicContact CD2-CB 4.47Å; L127-I145 HydrophobicContact CD2-CD1 4.01Å; L127-I145 HydrophobicContact CD2-CG1 4.01Å; L127-I145 HydrophobicContact CD2-CG2 3.68Å
128P93.3Very high85.9Confident1 Ų144.5 Ų44.51%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-77.3139.7-177.524.4-25.4000112.7K112 E113 F126 L140 K141 N144 Y177K112-P128 WeakPolarHBondContact O-CA 3.46Å; E113-P128 HydrophobicContact CG-CB 3.69Å; F126-P128 WeakPolarHBondContact O-CD 3Å; P128-L140 WeakPolarHBondContact O-CD1 3.35Å; P128-K141 HydrophobicContact CB-CB 4.33Å; P128-K141 HydrophobicContact CG-CB 4.08Å; P128-K141 PolarHBondContact O-N 2.61Å; P128-N144 HydrophobicContact CG-CB 3.58Å; P128-Y177 HydrophobicContact CB-CE1 3.77Å; P128-Y177 HydrophobicContact CG-CE1 4.34Å
129F90.3Very high85.4Confident20 Ų2046 Ų469%0.08828%0.275CS..EExtended strand (participates in β ladder)trans-143.1152.3174.466.5-85.2000111.7V96 K112 V114 V138 S139 L140V96-F129 HydrophobicContact CG1-CE1 3.99Å; V96-F129 HydrophobicContact CG1-CZ 3.64Å; V96-F129 HydrophobicContact CG2-CZ 4.42Å; K112-F129 HydrophobicContact CB-CD1 4.08Å; K112-F129 HydrophobicContact CB-CD2 3.97Å; K112-F129 HydrophobicContact CB-CE1 3.62Å; K112-F129 HydrophobicContact CB-CE2 3.56Å; K112-F129 HydrophobicContact CB-CG 4.26Å; K112-F129 HydrophobicContact CB-CZ 3.37Å; K112-F129 HydrophobicContact CD-CE2 3.72Å; K112-F129 HydrophobicContact CD-CZ 3.84Å; K112-F129 HydrophobicContact CG-CE2 4.14Å; K112-F129 HydrophobicContact CG-CZ 4.2Å; K112-F129 PolarHBondContact N-O 3.02Å; K112-F129 PolarHBondContact O-N 3.02Å; V114-F129 HydrophobicContact CG2-CD1 3.91Å; V114-F129 HydrophobicContact CG2-CE1 3.54Å; F129-V138 HydrophobicContact CB-CG1 4.27Å; F129-V138 HydrophobicContact CD2-CG1 3.66Å; F129-V138 HydrophobicContact CE2-CG1 4.31Å; F129-V138 HydrophobicContact CG-CG1 4.27Å; F129-S139 CarbonylContact C-O 3.54Å; F129-S139 VanDerWaalsContact CA-O 3.24Å; F129-S139 WeakPolarHBondContact CA-O 3.14Å; F129-S139 WeakPolarHBondContact CB-O 3.36Å; F129-L140 HydrophobicContact CB-CD1 4.37Å
130E89.3Confident85.2Confident26 Ų2643.9 Ų43.912%0.12126%0.259CS..EExtended strand (participates in β ladder)trans-97.9138171.7-69-178.4-166.900109.5K109 Q110 V138 S139 K141K109-E130 IonicContact NZ-OE2 2.63Å; K109-E130 PolarHBondContact NZ-OE2 3.07Å; Q110-E130 WeakPolarHBondContact O-CA 3.27Å; E130-V138 CarbonylContact O-C 3.57Å; E130-V138 VanDerWaalsContact O-CA 3.3Å; E130-V138 WeakPolarHBondContact O-CA 3.13Å; E130-S139 PolarHBondContact N-O 3.17Å; E130-S139 PolarHBondContact O-N 3.12Å; E130-K141 WeakPolarHBondContact OE1-CE 3.44Å; E130-K141 IonicContact OE1-NZ 2.91Å; E130-K141 PolarHBondContact OE1-NZ 3.23Å; E130-K141 IonicContact OE2-NZ 2.78Å
131E87.2Confident85.2Confident57 Ų5742.9 Ų42.927%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-120121.8170-173.9178.8153.100109.5K109 Q110 K112 V138K109-E131 WeakPolarHBondContact CA-O 3.36Å; Q110-E131 PolarHBondContact N-O 3.29Å; Q110-E131 PolarHBondContact O-N 3.24Å; K112-E131 HydrophobicContact CD-CB 4.45Å; K112-E131 WeakPolarHBondContact CD-OE2 3.37Å; K112-E131 VanDerWaalsContact CE-OE2 3.24Å; K112-E131 WeakPolarHBondContact CE-OE2 3.49Å; K112-E131 IonicContact NZ-OE1 2.67Å; K112-E131 IonicContact NZ-OE2 3.45Å; K112-E131 PolarHBondContact NZ-OE2 3.17Å; E131-V138 HydrophobicContact CG-CG2 4.18Å
132D83.3Confident84.9Confident42 Ų4242.7 Ų42.723%0.22525%0.253CS..EExtended strand (participates in β ladder)trans-93102.9172.1-170.3-29.3000109.3A134 A135 G136 R137D132-A134 PolarHBondContact O-N 3.19Å; D132-A134 WeakPolarHBondContact OD1-CB 3.39Å; D132-A134 PolarHBondContact OD1-N 2.88Å; D132-A135 HydrophobicContact CB-CB 4.1Å; D132-A135 PolarHBondContact O-N 2.81Å; D132-A135 PolarHBondContact OD1-N 3.35Å; D132-G136 WeakPolarHBondContact O-CA 3.44Å; D132-G136 PolarHBondContact O-N 3.41Å; D132-R137 PolarHBondContact N-O 2.93Å
133S72.7Confident84.6Confident72 Ų7242.4 Ų42.450%0.50326%0.255SS..THydrogen-bonded Turntrans-64.3-20.2-178.6-52.10000113.7
134A70.9Confident84.5Confident90 Ų9042.1 Ų42.174%0.74425%0.253SS*.THydrogen-bonded Turntrans-86.6-34.3178.200000112.2D132D132-A134 PolarHBondContact O-N 3.19Å; D132-A134 WeakPolarHBondContact OD1-CB 3.39Å; D132-A134 PolarHBondContact OD1-N 2.88Å
135A67.1Low84.4Confident69 Ų6942.1 Ų42.157%0.5725%0.253SS*.THydrogen-bonded Turntrans-97.4-11.2-179.200000113.9D132 R137D132-A135 HydrophobicContact CB-CB 4.1Å; D132-A135 PolarHBondContact O-N 2.81Å; D132-A135 PolarHBondContact OD1-N 3.35Å; A135-R137 HydrophobicContact CB-CB 4.35Å; A135-R137 PolarHBondContact O-N 2.93Å
136G69.6Low84.4Confident67 Ų6742.1 Ų42.169%0.69125%0.253SS*.THydrogen-bonded Turntrans64.215.1-173.900000113.8D132D132-G136 WeakPolarHBondContact O-CA 3.44Å; D132-G136 PolarHBondContact O-N 3.41Å
137R75.3Confident84.4Confident167 Ų16742.1 Ų42.163%0.6325%0.253SS*.EExtended strand (participates in β ladder)trans-93.6131-175.2-171.6176.2-178.81734.5110.4D132 A135D132-R137 PolarHBondContact N-O 2.93Å; A135-R137 HydrophobicContact CB-CB 4.35Å; A135-R137 PolarHBondContact O-N 2.93Å
138V81.3Confident84.5Confident41 Ų4142.1 Ų42.125%0.24825%0.253CS..EExtended strand (participates in β ladder)trans-103.6143.3170.4176.40000109N60 F129 E130 E131N60-V138 PolarHBondContact ND2-O 2.85Å; F129-V138 HydrophobicContact CB-CG1 4.27Å; F129-V138 HydrophobicContact CD2-CG1 3.66Å; F129-V138 HydrophobicContact CE2-CG1 4.31Å; F129-V138 HydrophobicContact CG-CG1 4.27Å; E130-V138 CarbonylContact O-C 3.57Å; E130-V138 VanDerWaalsContact O-CA 3.3Å; E130-V138 WeakPolarHBondContact O-CA 3.13Å; E131-V138 HydrophobicContact CG-CG2 4.18Å
139S82.4Confident84.5Confident42 Ų4243 Ų4329%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-141.8115.7177.2174.70000110.7F129 E130F129-S139 CarbonylContact C-O 3.54Å; F129-S139 VanDerWaalsContact CA-O 3.24Å; F129-S139 WeakPolarHBondContact CA-O 3.14Å; F129-S139 WeakPolarHBondContact CB-O 3.36Å; E130-S139 PolarHBondContact N-O 3.17Å; E130-S139 PolarHBondContact O-N 3.12Å
140L84.4Confident84.7Confident19 Ų1942.5 Ų42.510%0.09925%0.254CS..EExtended strand (participates in β ladder)trans-71.9141.7176.7-172.567.9000111.2L58 L68 L127 P128 F129L58-L140 HydrophobicContact CD2-CD1 3.81Å; L58-L140 HydrophobicContact CD2-CD2 4.07Å; L68-L140 HydrophobicContact CD2-CD2 3.76Å; L68-L140 HydrophobicContact CD2-CG 4.37Å; L68-L140 HydrophobicContact CG-CD2 4.15Å; L127-L140 HydrophobicContact CB-CD1 4.27Å; P128-L140 WeakPolarHBondContact O-CD1 3.35Å; F129-L140 HydrophobicContact CB-CD1 4.37Å
141K85.1Confident84.7Confident56 Ų5642.9 Ų42.924%0.24326%0.259CS..  trans-107.993.3178.7-64.1-61.4-173.6176.10111.5P128 E130 C143 N144 Y177P128-K141 HydrophobicContact CB-CB 4.33Å; P128-K141 HydrophobicContact CG-CB 4.08Å; P128-K141 PolarHBondContact O-N 2.61Å; E130-K141 WeakPolarHBondContact OE1-CE 3.44Å; E130-K141 IonicContact OE1-NZ 2.91Å; E130-K141 PolarHBondContact OE1-NZ 3.23Å; E130-K141 IonicContact OE2-NZ 2.78Å; K141-C143 VanDerWaalsContact C-N 3.28Å; K141-C143 PolarHBondContact O-N 2.61Å; K141-N144 PolarHBondContact O-N 3.04Å; K141-Y177 HydrophobicContact CB-CE1 4.42Å; K141-Y177 HydrophobicContact CG-CE1 4.26Å
142K83Confident84.7Confident76 Ų7643.2 Ų43.233%0.3327%0.268SS..G310 helixtrans-51.4-44.1176.9-176.1175.7-157.6165.70113.2L68 D71 N144 I145 L165 T166L68-K142 HydrophobicContact CD1-CB 3.65Å; L68-K142 HydrophobicContact CD1-CD 3.56Å; L68-K142 HydrophobicContact CD1-CG 3.38Å; L68-K142 HydrophobicContact CD2-CB 4.14Å; D71-K142 VanDerWaalsContact OD2-CE 3.32Å; D71-K142 WeakPolarHBondContact OD2-CE 3.35Å; D71-K142 IonicContact OD2-NZ 2.72Å; D71-K142 PolarHBondContact OD2-NZ 3.28Å; K142-N144 PolarHBondContact O-N 2.62Å; K142-N144 VanDerWaalsContact O-N 3.11Å; K142-I145 PolarHBondContact O-N 3.01Å; K142-L165 HydrophobicContact CG-CD2 3.94Å; K142-T166 HydrophobicContact CG-CG2 4.49Å
143C84.7Confident84.5Confident31 Ų3145.5 Ų45.521%0.20928%0.276CS..G310 helixtrans-74.2-0.4-168.859.70000115.5K141 G169 W170K141-C143 VanDerWaalsContact C-N 3.28Å; K141-C143 PolarHBondContact O-N 2.61Å; C143-G169 WeakPolarHBondContact CB-O 3.49Å; C143-W170 WeakPolarHBondContact O-CA 3.42Å
144N92.1Very high84.5Confident4 Ų444 Ų442%0.02127%0.273CS..G310 helixtrans-126.412.2-178.9-73.9107.7000113.6P128 K141 K142 Y146 W170 F171 Y177P128-N144 HydrophobicContact CG-CB 3.58Å; K141-N144 PolarHBondContact O-N 3.04Å; K142-N144 PolarHBondContact O-N 2.62Å; K142-N144 VanDerWaalsContact O-N 3.11Å; N144-Y146 WeakPolarHBondContact O-CD1 3.4Å; N144-Y146 PolarHBondContact O-N 3.1Å; N144-W170 HydrophobicContact CB-CH2 4.46Å; N144-W170 WeakPolarHBondContact ND2-CZ2 3.46Å; N144-W170 PolarHBondContact ND2-NE1 3.29Å; N144-F171 PolarHBondContact ND2-O 2.97Å; N144-F171 PolarHBondContact OD1-O 2.94Å; N144-Y177 HydrophobicContact CB-CD1 3.8Å; N144-Y177 HydrophobicContact CB-CE1 4.26Å
145I94.1Very high84.1Confident1 Ų145.8 Ų45.81%0.00528%0.278CS..  trans-73124.5177.8-66.2169.4000109.8V72 F75 T125 L127 K142 V164 L165V72-I145 HydrophobicContact CG2-CD1 3.76Å; F75-I145 HydrophobicContact CD1-CG2 3.81Å; F75-I145 HydrophobicContact CE1-CG2 3.71Å; T125-I145 HydrophobicContact CG2-CG2 4.33Å; L127-I145 HydrophobicContact CD2-CB 4.47Å; L127-I145 HydrophobicContact CD2-CD1 4.01Å; L127-I145 HydrophobicContact CD2-CG1 4.01Å; L127-I145 HydrophobicContact CD2-CG2 3.68Å; K142-I145 PolarHBondContact O-N 3.01Å; I145-V164 WeakPolarHBondContact O-CA 3.26Å; I145-L165 HydrophobicContact CB-CB 3.85Å; I145-L165 HydrophobicContact CB-CD2 4.22Å; I145-L165 HydrophobicContact CD1-CD2 3.73Å; I145-L165 HydrophobicContact CG2-CB 3.91Å; I145-L165 HydrophobicContact CG2-CD2 4.45Å; I145-L165 PolarHBondContact O-N 2.58Å
146Y95.5Very high84.1Confident2 Ų249 Ų491%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-137.2158.2177.871-79.6000112.1W27 R97 F126 N144 L162 H163 W170 L183W27-Y146 PolarHBondContact NE1-OH 3.46Å; R97-Y146 PolarHBondContact NH2-OH 2.89Å; R97-Y146 VanDerWaalsContact NH2-OH 3.12Å; F126-Y146 HydrophobicContact CB-CD1 3.86Å; F126-Y146 HydrophobicContact CB-CE1 3.4Å; F126-Y146 HydrophobicContact CB-CE2 4.21Å; F126-Y146 HydrophobicContact CB-CG 4.42Å; F126-Y146 AromaticContact CD1-CZ 3.94Å; F126-Y146 WeakPolarHBondContact CD1-OH 3.49Å; F126-Y146 HydrophobicContact CD2-CD1 4.46Å; F126-Y146 AromaticContact CD2-CD2 3.7Å; F126-Y146 HydrophobicContact CD2-CD2 3.7Å; F126-Y146 HydrophobicContact CD2-CE1 4.02Å; F126-Y146 AromaticContact CD2-CE2 3.17Å; F126-Y146 HydrophobicContact CD2-CE2 3.17Å; F126-Y146 HydrophobicContact CD2-CG 4.32Å; F126-Y146 AromaticContact CD2-CZ 3.35Å; F126-Y146 HydrophobicContact CE2-CD2 4.3Å; F126-Y146 AromaticContact CE2-CE2 3.57Å; F126-Y146 HydrophobicContact CE2-CE2 3.57Å; F126-Y146 AromaticContact CE2-CZ 3.98Å; F126-Y146 HydrophobicContact CG-CD1 4.43Å; F126-Y146 HydrophobicContact CG-CD2 4.41Å; F126-Y146 AromaticContact CG-CE1 3.74Å; F126-Y146 HydrophobicContact CG-CE1 3.74Å; F126-Y146 AromaticContact CG-CE2 3.73Å; F126-Y146 HydrophobicContact CG-CE2 3.73Å; F126-Y146 AromaticContact CG-CZ 3.33Å; F126-Y146 WeakPolarHBondContact CG-OH 3.46Å; F126-Y146 HydrophobicContact CZ-CE2 4.41Å; F126-Y146 PolarHBondContact N-O 3.04Å; F126-Y146 PolarHBondContact O-N 2.86Å; N144-Y146 WeakPolarHBondContact O-CD1 3.4Å; N144-Y146 PolarHBondContact O-N 3.1Å; Y146-L162 HydrophobicContact CD2-CD1 3.93Å; Y146-H163 CarbonylContact C-O 3.55Å; Y146-H163 VanDerWaalsContact CA-O 3.29Å; Y146-H163 WeakPolarHBondContact CA-O 3.42Å; Y146-H163 WeakPolarHBondContact CB-O 3.2Å; Y146-W170 HydrophobicContact CD1-CH2 4.41Å; Y146-L183 HydrophobicContact CG-CD1 4.4Å
147Q96.1Very high84.8Confident1 Ų151.3 Ų51.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-136.8140.3-179-170.7179.657.800110.3F75 H123 V124 T125 R149 H163F75-Q147 HydrophobicContact CE1-CB 3.6Å; F75-Q147 HydrophobicContact CE2-CB 4.3Å; F75-Q147 HydrophobicContact CZ-CB 3.41Å; F75-Q147 VanDerWaalsContact CZ-CB 3.41Å; H123-Q147 HydrophobicContact CB-CG 4.43Å; V124-Q147 CarbonylContact O-C 3.54Å; V124-Q147 VanDerWaalsContact O-CA 3.25Å; V124-Q147 WeakPolarHBondContact O-CA 3.46Å; V124-Q147 WeakPolarHBondContact O-CG 3.41Å; T125-Q147 HydrophobicContact CG2-CB 4.41Å; T125-Q147 PolarHBondContact OG1-NE2 3.37Å; Q147-R149 HydrophobicContact CG-CG 4.23Å; Q147-H163 HydrophobicContact CB-CB 4.48Å; Q147-H163 PolarHBondContact N-O 2.75Å; Q147-H163 PolarHBondContact O-N 3.41Å
148L96.4Very high85.5Confident1 Ų146.3 Ų46.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-107.4129.4171.2-59.6167.7000108.5F20 H123 V124 F126 L160 E161 L162 L188 L191F20-L148 HydrophobicContact CE2-CB 4.42Å; H123-L148 WeakPolarHBondContact CA-O 3.35Å; V124-L148 HydrophobicContact CG1-CB 3.76Å; V124-L148 HydrophobicContact CG1-CD1 4.1Å; V124-L148 HydrophobicContact CG1-CG 4.38Å; V124-L148 PolarHBondContact N-O 3.38Å; V124-L148 PolarHBondContact O-N 3.43Å; F126-L148 HydrophobicContact CE2-CD1 3.94Å; F126-L148 HydrophobicContact CE2-CG 4.31Å; F126-L148 HydrophobicContact CZ-CD1 4.43Å; L148-L160 HydrophobicContact CB-CD1 4.38Å; L148-E161 WeakPolarHBondContact CA-O 3.45Å; L148-L162 HydrophobicContact CD2-CB 4.44Å; L148-L162 HydrophobicContact CD2-CD1 3.77Å; L148-L188 HydrophobicContact CD2-CD1 4.01Å; L148-L191 HydrophobicContact CD1-CD1 3.49Å; L148-L191 VanDerWaalsContact CD1-CD1 3.49Å; L148-L191 HydrophobicContact CD2-CD1 4.23Å
149R94.5Very high86Confident20 Ų2044.3 Ų44.38%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-122.6126.9-179.1-54.5-175.8-173.6176.8-2.5110.5S78 Q147 L160 E161S78-R149 PolarHBondContact O-NH1 2.83Å; S78-R149 PolarHBondContact O-NH2 3.49Å; S78-R149 PolarHBondContact OG-NH2 2.96Å; Q147-R149 HydrophobicContact CG-CG 4.23Å; R149-L160 WeakPolarHBondContact O-CA 3.43Å; R149-E161 HydrophobicContact CB-CB 4.43Å; R149-E161 PolarHBondContact N-O 2.94Å; R149-E161 PolarHBondContact O-N 3.07Å
150L93.7Very high86.6Confident8 Ų842.4 Ų42.44%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-90.5110.8170.4-179.771.4000109.2F9 L16 P17 F20 Q122 W158F9-L150 HydrophobicContact CD2-CD1 4.3Å; F9-L150 HydrophobicContact CE2-CD1 3.47Å; F9-L150 VanDerWaalsContact CE2-CD1 3.47Å; F9-L150 HydrophobicContact CZ-CD1 3.94Å; L16-L150 HydrophobicContact CD1-CD1 4.44Å; L16-L150 HydrophobicContact CD2-CD1 4.24Å; L16-L150 HydrophobicContact CD2-CD2 4.29Å; P17-L150 HydrophobicContact CB-CD2 3.77Å; F20-L150 HydrophobicContact CB-CD1 4.47Å; F20-L150 HydrophobicContact CB-CD2 3.81Å; F20-L150 HydrophobicContact CD1-CB 4.04Å; F20-L150 HydrophobicContact CD1-CD2 4.18Å; F20-L150 HydrophobicContact CD2-CB 4.32Å; F20-L150 HydrophobicContact CE1-CB 4.22Å; F20-L150 HydrophobicContact CG-CB 4.07Å; F20-L150 HydrophobicContact CG-CD2 4.09Å; F20-L150 HydrophobicContact CG-CG 4.49Å; F20-L150 HydrophobicContact CZ-CB 4.44Å; Q122-L150 HydrophobicContact CB-CB 3.9Å; Q122-L150 HydrophobicContact CB-CD2 4.46Å; Q122-L150 PolarHBondContact O-N 3.21Å; Q122-L150 VanDerWaalsContact O-N 3.08Å; L150-W158 HydrophobicContact CD1-CB 4.34Å; L150-W158 HydrophobicContact CD1-CE3 3.95Å; L150-W158 HydrophobicContact CD2-CE3 3.87Å; L150-W158 HydrophobicContact CD2-CZ3 3.85Å; L150-W158 HydrophobicContact CG-CE3 3.61Å; L150-W158 HydrophobicContact CG-CZ3 3.88Å
151C90.1Very high87.2Confident34 Ų3442.9 Ų42.923%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-107.1132.7-177-59.50000110.8W158 A159C151-W158 CarbonylContact O-C 3.56Å; C151-W158 WeakPolarHBondContact O-CA 3.35Å; C151-A159 PolarHBondContact N-O 2.78Å; C151-A159 PolarHBondContact O-N 2.86Å
152S85.6Confident87.7Confident64 Ų6440.3 Ų40.345%0.44822%0.22SC..EExtended strand (participates in β ladder)trans-86125.3168.3-1760000109.5
153K80.6Confident88.2Confident90 Ų9037.2 Ų37.239%0.39121%0.207SC..EExtended strand (participates in β ladder)trans-984.6-179.7-71.5-167.5175.7-177.30113.8E6 E8 Q157 A159E6-K153 WeakPolarHBondContact OE1-CE 3.33Å; E6-K153 IonicContact OE1-NZ 3.19Å; E6-K153 PolarHBondContact OE1-NZ 2.7Å; E8-K153 IonicContact OE1-NZ 2.81Å; E8-K153 PolarHBondContact OE1-NZ 2.8Å; K153-Q157 HydrophobicContact CB-CB 4.26Å; K153-Q157 PolarHBondContact N-O 3.48Å; K153-A159 HydrophobicContact CD-CB 4.16Å; K153-A159 HydrophobicContact CG-CB 4.35Å
154G72Confident88.7Confident42 Ų4235.8 Ų35.843%0.43320%0.197SC..EExtended strand (participates in β ladder)trans135.9-156.9-175.300000112.4E156 Q157G154-E156 PolarHBondContact O-N 3.34Å; G154-Q157 PolarHBondContact O-N 2.8Å
155C62.8Low88.7Confident126 Ų12636.1 Ų36.185%0.85120%0.199SC*.THydrogen-bonded Turntrans-59.9104.5-176.5-163.80000111.3Q157C155-Q157 PolarHBondContact O-N 3.4Å; C155-Q157 VanDerWaalsContact O-N 3.17Å
156E67.6Low88.4Confident137 Ų13738 Ų3864%0.6421%0.21SC*.THydrogen-bonded Turntrans60.217.3176.9-54.5-168.2161.600117G154G154-E156 PolarHBondContact O-N 3.34Å
157Q82.8Confident87.9Confident116 Ų11640.4 Ų40.454%0.54223%0.227SC..EExtended strand (participates in β ladder)trans-106.4126.4174.5-71.1-175.6-12.800111K153 G154 C155K153-Q157 HydrophobicContact CB-CB 4.26Å; K153-Q157 PolarHBondContact N-O 3.48Å; G154-Q157 PolarHBondContact O-N 2.8Å; C155-Q157 PolarHBondContact O-N 3.4Å; C155-Q157 VanDerWaalsContact O-N 3.17Å
158W90.3Very high87.4Confident61 Ų6146.3 Ų46.323%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-122.9148.4179.3-66.191.4000110.2F9 L16 L150 C151F9-W158 HydrophobicContact CB-CB 4.24Å; F9-W158 HydrophobicContact CD2-CB 3.76Å; F9-W158 WeakPolarHBondContact CD2-O 3.48Å; F9-W158 HydrophobicContact CE2-CB 4.44Å; F9-W158 HydrophobicContact CG-CB 4.22Å; F9-W158 PolarHBondContact N-O 3.36Å; L16-W158 HydrophobicContact CB-CD2 4.4Å; L16-W158 HydrophobicContact CB-CG 4.39Å; L16-W158 HydrophobicContact CD1-CB 3.49Å; L16-W158 VanDerWaalsContact CD1-CB 3.49Å; L16-W158 HydrophobicContact CD1-CD2 4.19Å; L16-W158 HydrophobicContact CD1-CG 3.49Å; L16-W158 VanDerWaalsContact CD1-CG 3.49Å; L150-W158 HydrophobicContact CD1-CB 4.34Å; L150-W158 HydrophobicContact CD1-CE3 3.95Å; L150-W158 HydrophobicContact CD2-CE3 3.87Å; L150-W158 HydrophobicContact CD2-CZ3 3.85Å; L150-W158 HydrophobicContact CG-CE3 3.61Å; L150-W158 HydrophobicContact CG-CZ3 3.88Å; C151-W158 CarbonylContact O-C 3.56Å; C151-W158 WeakPolarHBondContact O-CA 3.35Å
159A92.9Very high86.8Confident0 Ų049.3 Ų49.30%029%0.291CS..EExtended strand (participates in β ladder)trans-132.4145.4171.100000110.4C151 K153C151-A159 PolarHBondContact N-O 2.78Å; C151-A159 PolarHBondContact O-N 2.86Å; K153-A159 HydrophobicContact CD-CB 4.16Å; K153-A159 HydrophobicContact CG-CB 4.35Å
160L95.2Very high86.7Confident1 Ų150.4 Ų50.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-103.2119.4171.1-173.462.8000108.7E6 A7 F9 F20 L148 R149 L188 L191 V192E6-L160 CarbonylContact C-O 3.54Å; E6-L160 WeakPolarHBondContact CA-O 3.36Å; A7-L160 PolarHBondContact N-O 3.31Å; A7-L160 PolarHBondContact O-N 3.11Å; F9-L160 HydrophobicContact CE2-CB 3.72Å; F9-L160 HydrophobicContact CZ-CB 4.16Å; F20-L160 HydrophobicContact CD2-CD1 3.79Å; F20-L160 HydrophobicContact CE2-CD1 3.49Å; F20-L160 VanDerWaalsContact CE2-CD1 3.49Å; F20-L160 HydrophobicContact CZ-CD1 4.48Å; L148-L160 HydrophobicContact CB-CD1 4.38Å; R149-L160 WeakPolarHBondContact O-CA 3.43Å; L160-L188 HydrophobicContact CB-CD1 4.32Å; L160-L188 HydrophobicContact CD2-CD1 3.61Å; L160-L188 HydrophobicContact CD2-CG 4.4Å; L160-L188 HydrophobicContact CG-CD1 3.64Å; L160-L191 HydrophobicContact CD2-CB 3.65Å; L160-L191 HydrophobicContact CD2-CD1 4.18Å; L160-V192 HydrophobicContact CB-CG2 3.93Å; L160-V192 HydrophobicContact CD2-CG2 4.01Å
161E95.4Very high86.6Confident30 Ų3055.3 Ų55.314%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-105.9141.2179.8-56.3-171.4157.400111.4K3 E6 L148 R149 H163K3-E161 WeakPolarHBondContact CE-OE1 3.47Å; K3-E161 IonicContact NZ-OE1 2.86Å; K3-E161 PolarHBondContact NZ-OE1 2.93Å; E6-E161 HydrophobicContact CB-CG 4.24Å; L148-E161 WeakPolarHBondContact CA-O 3.45Å; R149-E161 HydrophobicContact CB-CB 4.43Å; R149-E161 PolarHBondContact N-O 2.94Å; R149-E161 PolarHBondContact O-N 3.07Å; E161-H163 WeakPolarHBondContact CB-NE2 3.35Å; E161-H163 IonicContact OE2-CD2 2.62Å; E161-H163 IonicContact OE2-CE1 2.7Å; E161-H163 IonicContact OE2-NE2 3.73Å; E161-H163 PolarHBondContact OE2-NE2 3.25Å
162L96Very high86.7Confident1 Ų155.7 Ų55.71%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-105.6122.4170.8175.566.8000109.4I4 S5 Y146 L148 L183 L188I4-L162 HydrophobicContact CB-CD2 4.46Å; I4-L162 HydrophobicContact CB-CG 4.47Å; I4-L162 HydrophobicContact CG2-CD2 4.41Å; I4-L162 PolarHBondContact N-O 3.05Å; S5-L162 PolarHBondContact N-O 2.75Å; S5-L162 PolarHBondContact O-N 3.33Å; Y146-L162 HydrophobicContact CD2-CD1 3.93Å; L148-L162 HydrophobicContact CD2-CB 4.44Å; L148-L162 HydrophobicContact CD2-CD1 3.77Å; L162-L183 HydrophobicContact CD2-CB 3.57Å; L162-L188 HydrophobicContact CB-CD1 4.27Å
163H94.9Very high86.9Confident12 Ų1254.5 Ų54.56%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-119.3149.6176-66-104.2000109.8F75 Y146 Q147 E161F75-H163 HydrophobicContact CE2-CB 3.91Å; F75-H163 HydrophobicContact CZ-CB 4.03Å; Y146-H163 CarbonylContact C-O 3.55Å; Y146-H163 VanDerWaalsContact CA-O 3.29Å; Y146-H163 WeakPolarHBondContact CA-O 3.42Å; Y146-H163 WeakPolarHBondContact CB-O 3.2Å; Q147-H163 HydrophobicContact CB-CB 4.48Å; Q147-H163 PolarHBondContact N-O 2.75Å; Q147-H163 PolarHBondContact O-N 3.41Å; E161-H163 WeakPolarHBondContact CB-NE2 3.35Å; E161-H163 IonicContact OE2-CD2 2.62Å; E161-H163 IonicContact OE2-CE1 2.7Å; E161-H163 IonicContact OE2-NE2 3.73Å; E161-H163 PolarHBondContact OE2-NE2 3.25Å
164V94.6Very high87.4Confident0 Ų050.7 Ų50.70%029%0.294CS..EExtended strand (participates in β ladder)trans-125.7153.5170.8-60.30000110.2P2 I4 I145 W170 L180P2-V164 WeakPolarHBondContact CD-O 3.45Å; P2-V164 HydrophobicContact CG-CG2 3.85Å; P2-V164 PolarHBondContact O-N 2.93Å; I4-V164 HydrophobicContact CD1-CG2 3.7Å; I4-V164 HydrophobicContact CG1-CB 4.33Å; I4-V164 HydrophobicContact CG1-CG1 3.94Å; I4-V164 HydrophobicContact CG1-CG2 3.61Å; I145-V164 WeakPolarHBondContact O-CA 3.26Å; V164-W170 HydrophobicContact CB-CZ3 4.07Å; V164-W170 HydrophobicContact CG1-CE3 4.35Å; V164-W170 HydrophobicContact CG1-CH2 4.16Å; V164-W170 HydrophobicContact CG1-CZ3 3.62Å; V164-L180 HydrophobicContact CG1-CD1 3.62Å
165L91.9Very high88.3Confident12 Ų1249.7 Ų49.76%0.06328%0.279CS..SBendtrans-62.8-53.6176.3-177.668.3000110.4M1 L68 D71 V72 F75 K142 I145M1-L165 HydrophobicContact CE-CD1 3.32Å; M1-L165 HydrophobicContact CG-CD1 4.18Å; M1-L165 WeakPolarHBondContact CG-O 3.35Å; M1-L165 HydrophobicContact SD-CD1 4.06Å; L68-L165 HydrophobicContact CD1-CD2 4.28Å; D71-L165 HydrophobicContact CB-CD1 4.32Å; V72-L165 HydrophobicContact CG2-CD2 4.22Å; F75-L165 HydrophobicContact CB-CD1 3.64Å; F75-L165 HydrophobicContact CD1-CB 4.41Å; F75-L165 HydrophobicContact CD1-CD1 4.25Å; F75-L165 HydrophobicContact CD2-CD1 4.49Å; F75-L165 HydrophobicContact CG-CD1 3.9Å; K142-L165 HydrophobicContact CG-CD2 3.94Å; I145-L165 HydrophobicContact CB-CB 3.85Å; I145-L165 HydrophobicContact CB-CD2 4.22Å; I145-L165 HydrophobicContact CD1-CD2 3.73Å; I145-L165 HydrophobicContact CG2-CB 3.91Å; I145-L165 HydrophobicContact CG2-CD2 4.45Å; I145-L165 PolarHBondContact O-N 2.58Å
166T88Confident89.5Confident39 Ų3943.8 Ų43.824%0.23924%0.239CC..  trans-141.9139.6174.1179.40000109.9K142 D168K142-T166 HydrophobicContact CG-CG2 4.49Å; T166-D168 PolarHBondContact OG1-N 2.69Å; T166-D168 VanDerWaalsContact OG1-N 3.11Å
167S85.5Confident90.7Very high53 Ų5337.5 Ų37.537%0.37121%0.21SC..SBendtrans-82.7-22.5169.350.60000112.2W170S167-W170 PolarHBondContact O-N 3.12Å
168D84.9Confident91.1Very high125 Ų12532.4 Ų32.467%0.66819%0.187SC*.THydrogen-bonded Turntrans-76.7131.2-175.1-62.1-21.8000109.6T166 W170T166-D168 PolarHBondContact OG1-N 2.69Å; T166-D168 VanDerWaalsContact OG1-N 3.11Å; D168-W170 VanDerWaalsContact C-N 3.29Å; D168-W170 PolarHBondContact O-N 3.44Å
169G83.9Confident91.3Very high65 Ų6535.7 Ų35.767%0.6720%0.203SC*.THydrogen-bonded Turntrans7413.6-177.700000115C143 F171C143-G169 WeakPolarHBondContact CB-O 3.49Å; G169-F171 PolarHBondContact O-N 3.11Å
170W91.4Very high91.3Very high42 Ų4237 Ų3716%0.15921%0.209CC..  trans-53.2112.5177.4-173.6-80.2000111.7C143 N144 Y146 V164 S167 D168 P178 L180 L183C143-W170 WeakPolarHBondContact O-CA 3.42Å; N144-W170 HydrophobicContact CB-CH2 4.46Å; N144-W170 WeakPolarHBondContact ND2-CZ2 3.46Å; N144-W170 PolarHBondContact ND2-NE1 3.29Å; Y146-W170 HydrophobicContact CD1-CH2 4.41Å; V164-W170 HydrophobicContact CB-CZ3 4.07Å; V164-W170 HydrophobicContact CG1-CE3 4.35Å; V164-W170 HydrophobicContact CG1-CH2 4.16Å; V164-W170 HydrophobicContact CG1-CZ3 3.62Å; S167-W170 PolarHBondContact O-N 3.12Å; D168-W170 VanDerWaalsContact C-N 3.29Å; D168-W170 PolarHBondContact O-N 3.44Å; W170-P178 PolarHBondContact NE1-O 2.87Å; W170-L180 HydrophobicContact CD2-CB 4.06Å; W170-L180 HydrophobicContact CD2-CD1 4.32Å; W170-L180 HydrophobicContact CE3-CD1 4.24Å; W170-L180 HydrophobicContact CG-CB 4.13Å; W170-L180 HydrophobicContact CH2-CD1 4.24Å; W170-L180 HydrophobicContact CZ2-CD1 4.29Å; W170-L180 HydrophobicContact CZ3-CD1 4.21Å; W170-L183 HydrophobicContact CH2-CD1 3.88Å; W170-L183 HydrophobicContact CZ2-CD1 3.73Å
171F91.7Very high91.2Very high112 Ų11241.6 Ų41.649%0.49124%0.239SC..  trans-85.8147177.2176.6-102.6000110.6N144 G169 D173 Y177N144-F171 PolarHBondContact ND2-O 2.97Å; N144-F171 PolarHBondContact OD1-O 2.94Å; G169-F171 PolarHBondContact O-N 3.11Å; F171-D173 HydrophobicContact CE1-CB 4.35Å; F171-D173 HydrophobicContact CZ-CB 4.45Å; F171-Y177 AromaticContact CD1-CD2 3.74Å; F171-Y177 HydrophobicContact CD1-CD2 3.74Å; F171-Y177 HydrophobicContact CD1-CE2 4.37Å; F171-Y177 AromaticContact CD1-CG 3.98Å; F171-Y177 HydrophobicContact CD1-CG 3.98Å; F171-Y177 AromaticContact CE1-CD2 3.67Å; F171-Y177 HydrophobicContact CE1-CD2 3.67Å; F171-Y177 HydrophobicContact CE1-CE2 4.24Å; F171-Y177 HydrophobicContact CE1-CG 4.32Å
172S91.8Very high91.2Very high41 Ų4142.7 Ų42.729%0.28724%0.242SC..  trans-153.6118.7175.9159.10000111.8G174 Y177 K179S172-G174 PolarHBondContact OG-N 3.43Å; S172-Y177 WeakPolarHBondContact CA-O 3.23Å; S172-Y177 PolarHBondContact OG-O 3.36Å; S172-K179 WeakPolarHBondContact OG-CG 3.37Å; S172-K179 PolarHBondContact OG-N 2.82Å
173D91Very high91.2Very high40 Ų4042.7 Ų42.721%0.21424%0.242CC..  trans-92.6-10.316257.422.1000112.4R37 Y106 F171 V175 A176 Y177R37-D173 PolarHBondContact NH1-O 3.14Å; Y106-D173 WeakPolarHBondContact CE1-OD2 3.45Å; Y106-D173 VanDerWaalsContact CZ-OD2 3.23Å; Y106-D173 VanDerWaalsContact OH-CG 3.24Å; Y106-D173 PolarHBondContact OH-OD2 3.11Å; F171-D173 HydrophobicContact CE1-CB 4.35Å; F171-D173 HydrophobicContact CZ-CB 4.45Å; D173-V175 PolarHBondContact O-N 3.35Å; D173-V175 WeakPolarHBondContact OD1-CA 3.46Å; D173-V175 PolarHBondContact OD1-N 3.07Å; D173-A176 PolarHBondContact OD1-N 3.21Å; D173-A176 VanDerWaalsContact OD1-N 3.13Å; D173-Y177 PolarHBondContact N-O 3.34Å; D173-Y177 PolarHBondContact OD1-N 3.21Å; D173-Y177 WeakPolarHBondContact OD2-CD2 3.48Å
174G89.9Confident91.1Very high10 Ų1043.4 Ų43.410%0.10325%0.249CC..SBendtrans70.19.6-174.900000114.3R37 S172 Y177R37-G174 WeakPolarHBondContact CD-O 3.46Å; R37-G174 PolarHBondContact NH1-O 3.01Å; S172-G174 PolarHBondContact OG-N 3.43Å; G174-Y177 WeakPolarHBondContact CA-O 3.21Å; G174-Y177 PolarHBondContact N-O 3.11Å
175V90.7Very high91.1Very high20 Ų2046.9 Ų46.912%0.12127%0.273CS..SBendtrans-111-77.7179.5-177.80000109.4N35 R37 L38 P101 Y106 D173N35-V175 PolarHBondContact ND2-O 2.87Å; R37-V175 HydrophobicContact CB-CG1 4.41Å; R37-V175 HydrophobicContact CB-CG2 4.08Å; L38-V175 HydrophobicContact CD2-CG1 3.9Å; P101-V175 HydrophobicContact CB-CG1 3.86Å; Y106-V175 HydrophobicContact CE2-CG1 4.31Å; Y106-V175 WeakPolarHBondContact OH-CB 3.4Å; D173-V175 PolarHBondContact O-N 3.35Å; D173-V175 WeakPolarHBondContact OD1-CA 3.46Å; D173-V175 PolarHBondContact OD1-N 3.07Å
176A89.9Confident91.3Very high2 Ų249.8 Ų49.82%0.01729%0.288CS..SBendtrans-83.4-30.1172.500000111.7F99 Y106 Q111 D173 P178F99-A176 HydrophobicContact CD2-CB 3.95Å; F99-A176 HydrophobicContact CE2-CB 4.39Å; Y106-A176 HydrophobicContact CE2-CB 4.45Å; Y106-A176 VanDerWaalsContact OH-CB 3.26Å; Y106-A176 WeakPolarHBondContact OH-CB 3.38Å; Y106-A176 PolarHBondContact OH-N 2.7Å; Y106-A176 VanDerWaalsContact OH-N 3.08Å; Q111-A176 HydrophobicContact CB-CB 3.56Å; Q111-A176 HydrophobicContact CG-CB 3.76Å; D173-A176 PolarHBondContact OD1-N 3.21Å; D173-A176 VanDerWaalsContact OD1-N 3.13Å; A176-P178 WeakPolarHBondContact O-CD 3.3Å
177Y92.2Very high91.6Very high6 Ų648 Ų482%0.02428%0.277CS..SBendtrans-114.793.5-180-55.6-72.9000109.5Q111 P128 K141 N144 F171 S172 D173 G174Q111-Y177 VanDerWaalsContact OE1-CZ 3.22Å; Q111-Y177 PolarHBondContact OE1-OH 2.85Å; P128-Y177 HydrophobicContact CB-CE1 3.77Å; P128-Y177 HydrophobicContact CG-CE1 4.34Å; K141-Y177 HydrophobicContact CB-CE1 4.42Å; K141-Y177 HydrophobicContact CG-CE1 4.26Å; N144-Y177 HydrophobicContact CB-CD1 3.8Å; N144-Y177 HydrophobicContact CB-CE1 4.26Å; F171-Y177 AromaticContact CD1-CD2 3.74Å; F171-Y177 HydrophobicContact CD1-CD2 3.74Å; F171-Y177 HydrophobicContact CD1-CE2 4.37Å; F171-Y177 AromaticContact CD1-CG 3.98Å; F171-Y177 HydrophobicContact CD1-CG 3.98Å; F171-Y177 AromaticContact CE1-CD2 3.67Å; F171-Y177 HydrophobicContact CE1-CD2 3.67Å; F171-Y177 HydrophobicContact CE1-CE2 4.24Å; F171-Y177 HydrophobicContact CE1-CG 4.32Å; S172-Y177 WeakPolarHBondContact CA-O 3.23Å; S172-Y177 PolarHBondContact OG-O 3.36Å; D173-Y177 PolarHBondContact N-O 3.34Å; D173-Y177 PolarHBondContact OD1-N 3.21Å; D173-Y177 WeakPolarHBondContact OD2-CD2 3.48Å; G174-Y177 WeakPolarHBondContact CA-O 3.21Å; G174-Y177 PolarHBondContact N-O 3.11Å
178P91.8Very high92.1Very high9 Ų945.6 Ų45.66%0.05826%0.261CS..  trans-64.3154.4-179.7-19.732.8000112.2W170 A176 L180 W182 L183W170-P178 PolarHBondContact NE1-O 2.87Å; A176-P178 WeakPolarHBondContact O-CD 3.3Å; P178-L180 PolarHBondContact O-N 3.35Å; P178-W182 HydrophobicContact CB-CD2 4.44Å; P178-W182 HydrophobicContact CB-CE3 3.54Å; P178-W182 HydrophobicContact CB-CZ3 3.9Å; P178-W182 HydrophobicContact CG-CE3 4.3Å; P178-W182 HydrophobicContact CG-CZ3 4.14Å; P178-L183 HydrophobicContact CB-CD2 3.95Å; P178-L183 HydrophobicContact CB-CG 4.27Å; P178-L183 HydrophobicContact CG-CD2 4.1Å
179K93.8Very high92.6Very high130 Ų13042.7 Ų42.757%0.56525%0.248SC*.  trans-63.2135.9170.9-67.9-176.7177.6-170.30109.3S172 W182 L183S172-K179 WeakPolarHBondContact OG-CG 3.37Å; S172-K179 PolarHBondContact OG-N 2.82Å; K179-W182 HydrophobicContact CB-CB 4.04Å; K179-W182 WeakPolarHBondContact O-CA 3.5Å; K179-W182 VanDerWaalsContact O-CB 3.26Å; K179-W182 WeakPolarHBondContact O-CB 3.33Å; K179-W182 PolarHBondContact O-N 3.46Å; K179-L183 PolarHBondContact O-N 2.82Å
180L92.2Very high93.1Very high27 Ų2743.7 Ų43.714%0.14123%0.234CC..Hα-helixtrans-54-44.8178.8-176.162.4000113.2I4 V164 W170 P178 W182 L183I4-L180 HydrophobicContact CD1-CD2 4.3Å; I4-L180 HydrophobicContact CG1-CD1 4.33Å; I4-L180 HydrophobicContact CG2-CD1 4.23Å; I4-L180 HydrophobicContact CG2-CG 4.28Å; V164-L180 HydrophobicContact CG1-CD1 3.62Å; W170-L180 HydrophobicContact CD2-CB 4.06Å; W170-L180 HydrophobicContact CD2-CD1 4.32Å; W170-L180 HydrophobicContact CE3-CD1 4.24Å; W170-L180 HydrophobicContact CG-CB 4.13Å; W170-L180 HydrophobicContact CH2-CD1 4.24Å; W170-L180 HydrophobicContact CZ2-CD1 4.29Å; W170-L180 HydrophobicContact CZ3-CD1 4.21Å; P178-L180 PolarHBondContact O-N 3.35Å; L180-W182 VanDerWaalsContact C-N 3.26Å; L180-W182 PolarHBondContact O-N 3.07Å; L180-L183 HydrophobicContact CD1-CD1 4.27Å; L180-L183 PolarHBondContact O-N 3.29Å
181P94.1Very high93.3Very high97 Ų9741.8 Ų41.863%0.6323%0.227SC*.Hα-helixtrans-60-32.5173.7-26.335.7000114.3S184 S185P181-S184 PolarHBondContact O-N 3.16Å; P181-S185 PolarHBondContact O-N 3.07Å; P181-S185 PolarHBondContact O-OG 3.47Å; P181-S185 VanDerWaalsContact O-OG 3.04Å
182W95.4Very high93.4Very high53 Ų5337.1 Ų37.120%0.20121%0.208CC..Hα-helixtrans-69.6-33.5-179.7-178.187.6000112.1W27 V34 N35 P178 K179 L180 S184 S185 D186 L187W27-W182 HydrophobicContact CH2-CH2 4.37Å; W27-W182 HydrophobicContact CH2-CZ3 4.29Å; V34-W182 HydrophobicContact CG1-CH2 4.1Å; V34-W182 HydrophobicContact CG2-CH2 3.91Å; V34-W182 HydrophobicContact CG2-CZ2 3.82Å; N35-W182 HydrophobicContact CB-CH2 3.88Å; N35-W182 HydrophobicContact CB-CZ2 4.17Å; P178-W182 HydrophobicContact CB-CD2 4.44Å; P178-W182 HydrophobicContact CB-CE3 3.54Å; P178-W182 HydrophobicContact CB-CZ3 3.9Å; P178-W182 HydrophobicContact CG-CE3 4.3Å; P178-W182 HydrophobicContact CG-CZ3 4.14Å; K179-W182 HydrophobicContact CB-CB 4.04Å; K179-W182 WeakPolarHBondContact O-CA 3.5Å; K179-W182 VanDerWaalsContact O-CB 3.26Å; K179-W182 WeakPolarHBondContact O-CB 3.33Å; K179-W182 PolarHBondContact O-N 3.46Å; L180-W182 VanDerWaalsContact C-N 3.26Å; L180-W182 PolarHBondContact O-N 3.07Å; W182-S184 PolarHBondContact O-N 3.24Å; W182-S185 PolarHBondContact O-N 3.39Å; W182-D186 HydrophobicContact CD2-CB 4.02Å; W182-D186 HydrophobicContact CG-CB 4.1Å; W182-D186 HydrophobicContact CZ2-CB 4.12Å; W182-D186 VanDerWaalsContact NE1-CG 3.29Å; W182-D186 WeakPolarHBondContact O-CB 3.43Å; W182-D186 PolarHBondContact O-N 2.98Å; W182-L187 HydrophobicContact CZ3-CB 4.1Å; W182-L187 PolarHBondContact O-N 2.87Å
183L95Very high93.5Very high1 Ų141.8 Ų41.81%0.00522%0.219CC..Iπ-helixtrans-59.1-40.1172.5-65.8175.3000110.8Y146 L162 W170 P178 K179 L180 L187 L188Y146-L183 HydrophobicContact CG-CD1 4.4Å; L162-L183 HydrophobicContact CD2-CB 3.57Å; W170-L183 HydrophobicContact CH2-CD1 3.88Å; W170-L183 HydrophobicContact CZ2-CD1 3.73Å; P178-L183 HydrophobicContact CB-CD2 3.95Å; P178-L183 HydrophobicContact CB-CG 4.27Å; P178-L183 HydrophobicContact CG-CD2 4.1Å; K179-L183 PolarHBondContact O-N 2.82Å; L180-L183 HydrophobicContact CD1-CD1 4.27Å; L180-L183 PolarHBondContact O-N 3.29Å; L183-L187 HydrophobicContact CD2-CD2 3.65Å; L183-L187 WeakPolarHBondContact O-CB 3.49Å; L183-L188 PolarHBondContact O-N 2.88Å
184S94.3Very high93.5Very high28 Ų2842.5 Ų42.520%0.19622%0.219CC..Iπ-helixtrans-75.3-45.6177.5-58.70000113.4S5 P181 W182 P189S5-S184 WeakPolarHBondContact CB-OG 3.4Å; S5-S184 WeakPolarHBondContact OG-CB 3.07Å; S5-S184 PolarHBondContact OG-OG 3.44Å; P181-S184 PolarHBondContact O-N 3.16Å; W182-S184 PolarHBondContact O-N 3.24Å; S184-P189 WeakPolarHBondContact O-CD 3.42Å
185S94.6Very high93.6Very high73 Ų7342 Ų4251%0.5121%0.214SC..Iπ-helixtrans-82.7-29.6-172.358.20000114.6P181 W182P181-S185 PolarHBondContact O-N 3.07Å; P181-S185 PolarHBondContact O-OG 3.47Å; P181-S185 VanDerWaalsContact O-OG 3.04Å; W182-S185 PolarHBondContact O-N 3.39Å
186D94.7Very high93.6Very high72 Ų7242.7 Ų42.739%0.38522%0.221SC..Iπ-helixtrans-117-46.5-170.5-66.7-107.7000112.5W182 K190W182-D186 HydrophobicContact CD2-CB 4.02Å; W182-D186 HydrophobicContact CG-CB 4.1Å; W182-D186 HydrophobicContact CZ2-CB 4.12Å; W182-D186 VanDerWaalsContact NE1-CG 3.29Å; W182-D186 WeakPolarHBondContact O-CB 3.43Å; W182-D186 PolarHBondContact O-N 2.98Å; D186-K190 WeakPolarHBondContact O-CG 3.5Å
187L95.8Very high93.4Very high1 Ų146.7 Ų46.71%0.00524%0.24CC..Iπ-helixtrans-75.9-52.3-177.3177.564.9000111.9W27 V34 W182 L183 K190 L191W27-L187 HydrophobicContact CD2-CD1 3.62Å; W27-L187 HydrophobicContact CD2-CD2 4.21Å; W27-L187 HydrophobicContact CE3-CD1 3.68Å; W27-L187 HydrophobicContact CG-CD1 4.02Å; W27-L187 HydrophobicContact CZ2-CD1 4.47Å; W27-L187 HydrophobicContact CZ2-CD2 3.93Å; W27-L187 HydrophobicContact CZ3-CD1 4.16Å; V34-L187 HydrophobicContact CG1-CD1 4.08Å; W182-L187 HydrophobicContact CZ3-CB 4.1Å; W182-L187 PolarHBondContact O-N 2.87Å; L183-L187 HydrophobicContact CD2-CD2 3.65Å; L183-L187 WeakPolarHBondContact O-CB 3.49Å; L187-K190 WeakPolarHBondContact O-CB 3.4Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CD2 4.5Å; L187-L191 HydrophobicContact CD1-CG 4.02Å; L187-L191 HydrophobicContact CD2-CD1 4.38Å; L187-L191 HydrophobicContact CG-CD1 3.83Å; L187-L191 HydrophobicContact CG-CG 4.26Å; L187-L191 PolarHBondContact O-N 3.37Å
188L95.8Very high92.2Very high4 Ų449.2 Ų49.22%0.02126%0.258CS..Hα-helixtrans-56.9-46.9-174.6-160.170.4000113A7 L148 L160 L162 L183 K190 L191 V192A7-L188 HydrophobicContact CB-CD2 3.76Å; A7-L188 HydrophobicContact CB-CG 3.88Å; L148-L188 HydrophobicContact CD2-CD1 4.01Å; L160-L188 HydrophobicContact CB-CD1 4.32Å; L160-L188 HydrophobicContact CD2-CD1 3.61Å; L160-L188 HydrophobicContact CD2-CG 4.4Å; L160-L188 HydrophobicContact CG-CD1 3.64Å; L162-L188 HydrophobicContact CB-CD1 4.27Å; L183-L188 PolarHBondContact O-N 2.88Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 3.46Å; L188-L191 PolarHBondContact O-N 3.4Å; L188-V192 PolarHBondContact O-N 3.12Å; L188-V192 VanDerWaalsContact O-N 3.08Å
189P94.8Very high90.9Very high63 Ų6357.1 Ų57.141%0.40929%0.291SS..Hα-helixtrans-67-29.1178-21.236000113S184 R193S184-P189 WeakPolarHBondContact O-CD 3.42Å; P189-R193 WeakPolarHBondContact O-CB 3.45Å; P189-R193 PolarHBondContact O-N 3.01Å; P189-R193 VanDerWaalsContact O-N 3.09Å
190K94.8Very high89.6Confident87 Ų8756.4 Ų56.438%0.37830%0.303SS..Hα-helixtrans-69.3-42.9175.3-72.8-74.3-178.3-177.40111.5V34 D186 L187 L188 R193 W194V34-K190 HydrophobicContact CG2-CG 4.07Å; D186-K190 WeakPolarHBondContact O-CG 3.5Å; L187-K190 WeakPolarHBondContact O-CB 3.4Å; L187-K190 PolarHBondContact O-N 2.95Å; L188-K190 VanDerWaalsContact C-N 3.28Å; L188-K190 PolarHBondContact O-N 3.46Å; K190-R193 PolarHBondContact O-N 2.83Å; K190-W194 HydrophobicContact CB-CD2 4.49Å; K190-W194 HydrophobicContact CB-CH2 4Å; K190-W194 HydrophobicContact CB-CZ2 3.98Å; K190-W194 HydrophobicContact CB-CZ3 4.29Å; K190-W194 HydrophobicContact CD-CZ2 4.23Å; K190-W194 HydrophobicContact CG-CZ2 4.47Å; K190-W194 VanDerWaalsContact O-CD2 3.28Å; K190-W194 PolarHBondContact O-N 2.92Å
191L94.9Very high88.6Confident2 Ų259.4 Ų59.41%0.0133%0.326CS..Hα-helixtrans-61.9-48.6176.7-71.5170.8000111.4A23 W27 L148 L160 L187 L188 R193 W194 A195A23-L191 HydrophobicContact CB-CD2 4.05Å; A23-L191 WeakPolarHBondContact CB-O 3.45Å; A23-L191 WeakPolarHBondContact O-CD2 3.42Å; W27-L191 HydrophobicContact CB-CD2 3.99Å; L148-L191 HydrophobicContact CD1-CD1 3.49Å; L148-L191 VanDerWaalsContact CD1-CD1 3.49Å; L148-L191 HydrophobicContact CD2-CD1 4.23Å; L160-L191 HydrophobicContact CD2-CB 3.65Å; L160-L191 HydrophobicContact CD2-CD1 4.18Å; L187-L191 HydrophobicContact CD1-CD1 4.04Å; L187-L191 HydrophobicContact CD1-CD2 4.5Å; L187-L191 HydrophobicContact CD1-CG 4.02Å; L187-L191 HydrophobicContact CD2-CD1 4.38Å; L187-L191 HydrophobicContact CG-CD1 3.83Å; L187-L191 HydrophobicContact CG-CG 4.26Å; L187-L191 PolarHBondContact O-N 3.37Å; L188-L191 PolarHBondContact O-N 3.4Å; L191-R193 VanDerWaalsContact C-N 3.29Å; L191-R193 PolarHBondContact O-N 3.35Å; L191-W194 HydrophobicContact CD2-CE3 4.02Å; L191-W194 HydrophobicContact CD2-CZ3 4.11Å; L191-W194 PolarHBondContact O-N 2.71Å; L191-A195 VanDerWaalsContact O-CB 3.28Å; L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 3.26Å
192V94.3Very high87.9Confident14 Ų1459.2 Ų59.29%0.08532%0.316CS..Hα-helixtrans-55-47.6175.4169.60000110.8A7 F9 L160 L188 A195 A196A7-V192 HydrophobicContact CB-CG2 3.72Å; F9-V192 HydrophobicContact CD1-CB 4.46Å; F9-V192 HydrophobicContact CD1-CG1 3.75Å; F9-V192 HydrophobicContact CE1-CB 4.18Å; F9-V192 HydrophobicContact CE1-CG1 3.96Å; F9-V192 HydrophobicContact CE1-CG2 4.26Å; F9-V192 HydrophobicContact CE2-CG2 4.28Å; F9-V192 HydrophobicContact CG-CG1 4.17Å; F9-V192 HydrophobicContact CZ-CB 4.47Å; F9-V192 HydrophobicContact CZ-CG2 4.08Å; L160-V192 HydrophobicContact CB-CG2 3.93Å; L160-V192 HydrophobicContact CD2-CG2 4.01Å; L188-V192 PolarHBondContact O-N 3.12Å; L188-V192 VanDerWaalsContact O-N 3.08Å; V192-A195 PolarHBondContact O-N 2.85Å; V192-A196 VanDerWaalsContact O-CB 3.31Å; V192-A196 WeakPolarHBondContact O-CB 3.44Å; V192-A196 PolarHBondContact O-N 2.91Å
193R92.8Very high87.5Confident138 Ų13858.9 Ų58.952%0.52132%0.317SS..Hα-helixtrans-61.8-47.4178.4-178.6179.6172.1172.5-0.4112.7P189 K190 L191 A195 A196 E197P189-R193 WeakPolarHBondContact O-CB 3.45Å; P189-R193 PolarHBondContact O-N 3.01Å; P189-R193 VanDerWaalsContact O-N 3.09Å; K190-R193 PolarHBondContact O-N 2.83Å; L191-R193 VanDerWaalsContact C-N 3.29Å; L191-R193 PolarHBondContact O-N 3.35Å; R193-A195 VanDerWaalsContact C-N 3.33Å; R193-A195 PolarHBondContact O-N 2.87Å; R193-A196 PolarHBondContact O-N 2.86Å; R193-E197 HydrophobicContact CG-CG 4.41Å; R193-E197 WeakPolarHBondContact CG-OE1 3.47Å; R193-E197 IonicContact CZ-OE1 3.78Å; R193-E197 IonicContact NE-OE1 2.8Å; R193-E197 PolarHBondContact NE-OE1 3.32Å; R193-E197 IonicContact NH2-OE1 3.68Å; R193-E197 PolarHBondContact NH2-OE1 2.97Å; R193-E197 WeakPolarHBondContact O-CB 3.22Å; R193-E197 WeakPolarHBondContact O-CG 3.26Å; R193-E197 PolarHBondContact O-N 2.66Å
194W92.2Very high87.1Confident55 Ų5565 Ų6521%0.20834%0.343CS..Hα-helixtrans-63.6-41.3179.7-66-29.1000111.8A23 V26 V33 V34 K190 L191 E197 C198A23-W194 HydrophobicContact CB-CB 3.77Å; V26-W194 HydrophobicContact CB-CE3 4.09Å; V26-W194 HydrophobicContact CB-CZ3 4.28Å; V26-W194 HydrophobicContact CG1-CD2 4.17Å; V26-W194 HydrophobicContact CG1-CE3 3.85Å; V26-W194 HydrophobicContact CG1-CH2 3.97Å; V26-W194 HydrophobicContact CG1-CZ2 4.25Å; V26-W194 HydrophobicContact CG1-CZ3 3.75Å; V33-W194 HydrophobicContact CG2-CH2 3.47Å; V33-W194 VanDerWaalsContact CG2-CH2 3.47Å; V33-W194 HydrophobicContact CG2-CZ2 3.61Å; V33-W194 HydrophobicContact CG2-CZ3 4.47Å; V34-W194 HydrophobicContact CB-CH2 4.13Å; V34-W194 HydrophobicContact CG1-CH2 4.22Å; K190-W194 HydrophobicContact CB-CD2 4.49Å; K190-W194 HydrophobicContact CB-CH2 4Å; K190-W194 HydrophobicContact CB-CZ2 3.98Å; K190-W194 HydrophobicContact CB-CZ3 4.29Å; K190-W194 HydrophobicContact CD-CZ2 4.23Å; K190-W194 HydrophobicContact CG-CZ2 4.47Å; K190-W194 VanDerWaalsContact O-CD2 3.28Å; K190-W194 PolarHBondContact O-N 2.92Å; L191-W194 HydrophobicContact CD2-CE3 4.02Å; L191-W194 HydrophobicContact CD2-CZ3 4.11Å; L191-W194 PolarHBondContact O-N 2.71Å; W194-E197 PolarHBondContact O-N 2.71Å; W194-C198 PolarHBondContact O-N 2.67Å
195A92.1Very high86.8Confident1 Ų166.1 Ų66.11%0.00835%0.351CS..Hα-helixtrans-66.8-37.8178.600000112.2F9 S15 L16 G19 A23 L191 V192 R193F9-A195 HydrophobicContact CE1-CB 3.69Å; F9-A195 HydrophobicContact CZ-CB 4.19Å; S15-A195 WeakPolarHBondContact CB-O 3.48Å; S15-A195 PolarHBondContact OG-O 3.47Å; L16-A195 HydrophobicContact CD2-CB 4.2Å; G19-A195 VanDerWaalsContact C-CB 3.41Å; G19-A195 WeakPolarHBondContact O-CA 3.46Å; G19-A195 VanDerWaalsContact O-CB 3.23Å; G19-A195 WeakPolarHBondContact O-CB 3.36Å; A23-A195 HydrophobicContact CB-CB 3.82Å; L191-A195 VanDerWaalsContact O-CB 3.28Å; L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 3.26Å; V192-A195 PolarHBondContact O-N 2.85Å; R193-A195 VanDerWaalsContact C-N 3.33Å; R193-A195 PolarHBondContact O-N 2.87Å
196A90.1Very high86.6Confident33 Ų3365 Ų6527%0.27334%0.341SS..Hα-helixtrans-72.9-35.1176.900000113.7P10 V192 R193P10-A196 HydrophobicContact CG-CB 4.39Å; V192-A196 VanDerWaalsContact O-CB 3.31Å; V192-A196 WeakPolarHBondContact O-CB 3.44Å; V192-A196 PolarHBondContact O-N 2.91Å; R193-A196 PolarHBondContact O-N 2.86Å
197E85.7Confident86.5Confident87 Ų8761.8 Ų61.841%0.40732%0.324SS..Hα-helixtrans-76-30.9-178.3-73.9178.6-17200112.6R193 W194 K199R193-E197 HydrophobicContact CG-CG 4.41Å; R193-E197 WeakPolarHBondContact CG-OE1 3.47Å; R193-E197 IonicContact CZ-OE1 3.78Å; R193-E197 IonicContact NE-OE1 2.8Å; R193-E197 PolarHBondContact NE-OE1 3.32Å; R193-E197 IonicContact NH2-OE1 3.68Å; R193-E197 PolarHBondContact NH2-OE1 2.97Å; R193-E197 WeakPolarHBondContact O-CB 3.22Å; R193-E197 WeakPolarHBondContact O-CG 3.26Å; R193-E197 PolarHBondContact O-N 2.66Å; W194-E197 PolarHBondContact O-N 2.71Å; E197-K199 VanDerWaalsContact C-N 3.26Å; E197-K199 WeakPolarHBondContact O-CG 3.27Å; E197-K199 PolarHBondContact O-N 2.84Å
198C67.6Low86.4Confident59 Ų5964.1 Ų64.140%0.39934%0.34SS..  trans30.855.6179.3-156.30000114.4W194W194-C198 PolarHBondContact O-N 2.67Å
199K64.7Low86.3Confident175 Ų17565.9 Ų65.976%0.76135%0.349SS*.PPolyproline II helixtrans-99.2116.6176.2-59.3-170.4-178.6173.80109E197 S201E197-K199 VanDerWaalsContact C-N 3.26Å; E197-K199 WeakPolarHBondContact O-CG 3.27Å; E197-K199 PolarHBondContact O-N 2.84Å; K199-S201 PolarHBondContact O-N 2.95Å
200S64.9Low86.4Confident115 Ų11563.4 Ų63.480%0.80433%0.333SS*.PPolyproline II helixtrans-58.9130.7160.955.80000108.3E202S200-E202 PolarHBondContact O-N 3.17Å
201S71.6Confident86.3Confident90 Ų9061.5 Ų61.563%0.62933%0.329SS*.PPolyproline II helixtrans-65.1131.1176.8175.30000109K199 F203K199-S201 PolarHBondContact O-N 2.95Å; S201-F203 WeakPolarHBondContact CB-O 3.23Å; S201-F203 PolarHBondContact O-N 3.43Å; S201-F203 PolarHBondContact OG-N 3.17Å; S201-F203 PolarHBondContact OG-O 2.95Å
202E80.9Confident86.2Confident92 Ų9262.8 Ų62.843%0.4334%0.337SS..SBendtrans-62.9-18.1172.5-66.6-170.6130.300112.3S200 S379 K382S200-E202 PolarHBondContact O-N 3.17Å; E202-S379 PolarHBondContact OE1-N 3.47Å; E202-S379 WeakPolarHBondContact OE2-CB 3.41Å; E202-S379 PolarHBondContact OE2-OG 3.49Å; E202-K382 HydrophobicContact CB-CG 4.3Å; E202-K382 WeakPolarHBondContact O-CE 3.26Å
203F86.2Confident85.9Confident46 Ų4667.8 Ų67.820%0.20236%0.36CS..SBendtrans-120.8157.6-175.7-57.5-74.4000112.3S201 Y381 K382 I385 V412S201-F203 WeakPolarHBondContact CB-O 3.23Å; S201-F203 PolarHBondContact O-N 3.43Å; S201-F203 PolarHBondContact OG-N 3.17Å; S201-F203 PolarHBondContact OG-O 2.95Å; F203-Y381 HydrophobicContact CE1-CD1 4.23Å; F203-Y381 HydrophobicContact CE1-CE1 4.35Å; F203-Y381 HydrophobicContact CE2-CD1 4.28Å; F203-Y381 AromaticContact CZ-CD1 3.59Å; F203-Y381 HydrophobicContact CZ-CD1 3.59Å; F203-Y381 HydrophobicContact CZ-CE1 4.07Å; F203-Y381 HydrophobicContact CZ-CG 4.37Å; F203-K382 HydrophobicContact CD1-CD 3.78Å; F203-K382 HydrophobicContact CE1-CB 3.86Å; F203-K382 HydrophobicContact CE1-CD 3.43Å; F203-K382 VanDerWaalsContact CE1-CD 3.43Å; F203-K382 HydrophobicContact CE1-CG 4.2Å; F203-K382 HydrophobicContact CZ-CB 3.67Å; F203-K382 HydrophobicContact CZ-CD 4.12Å; F203-K382 HydrophobicContact CZ-CG 4.42Å; F203-I385 HydrophobicContact CE1-CG1 4.21Å; F203-V412 HydrophobicContact CB-CG2 4.32Å; F203-V412 HydrophobicContact CD1-CB 4.33Å; F203-V412 HydrophobicContact CD1-CG1 4.14Å; F203-V412 HydrophobicContact CD1-CG2 3.37Å; F203-V412 HydrophobicContact CD2-CG2 4.45Å; F203-V412 HydrophobicContact CE1-CB 4.49Å; F203-V412 HydrophobicContact CE1-CG2 3.65Å; F203-V412 HydrophobicContact CG-CG2 3.8Å; F203-V412 HydrophobicContact CZ-CG2 4.32Å
204K86.6Confident86Confident131 Ų13165.9 Ų65.957%0.5736%0.355SS*.PPolyproline II helixtrans-59.3159.8171.9-67.2-71.7-174.7170.50112.3E401 C403K204-E401 HydrophobicContact CG-CB 4.29Å; K204-E401 PolarHBondContact N-OE1 3.25Å; K204-C403 PolarHBondContact O-SG 2.74Å; K204-C403 VanDerWaalsContact O-SG 3.37Å
205S86.9Confident86.2Confident51 Ų5163.4 Ų63.436%0.35735%0.346SS..PPolyproline II helixtrans-65.7148.1177.150.60000111.6L207 S208S205-L207 PolarHBondContact O-N 2.86Å; S205-S208 VanDerWaalsContact O-CB 3.26Å; S205-S208 WeakPolarHBondContact O-CB 3.32Å; S205-S208 PolarHBondContact O-N 3.36Å; S205-S208 PolarHBondContact O-OG 3.19Å; S205-S208 WeakPolarHBondContact OG-CB 3.26Å
206T91Very high86.2Confident49 Ų4963.8 Ų63.830%0.30135%0.348SS..BIsolated β-bridgetrans-58.7128.8177.1-62.10000112.3S208 C403 R405T206-S208 VanDerWaalsContact C-N 3.27Å; T206-S208 PolarHBondContact O-N 2.95Å; T206-C403 CarbonylContact C-O 3.59Å; T206-C403 WeakPolarHBondContact CA-O 3.24Å; T206-C403 WeakPolarHBondContact CG2-O 3.16Å; T206-R405 HydrophobicContact CG2-CB 4.05Å
207L93.4Very high86.3Confident4 Ų468.6 Ų68.62%0.02137%0.369CS..THydrogen-bonded Turntrans58.635.2-178.1-53.4173.1000113S205 L209 L210 Y215 Y252 D402 C403 R405S205-L207 PolarHBondContact O-N 2.86Å; L207-L209 PolarHBondContact O-N 2.97Å; L207-L210 PolarHBondContact O-N 3.31Å; L207-Y215 HydrophobicContact CD1-CD1 3.5Å; L207-Y215 VanDerWaalsContact CD1-CD1 3.5Å; L207-Y215 HydrophobicContact CD1-CD2 4.19Å; L207-Y215 HydrophobicContact CD1-CE1 3.78Å; L207-Y215 HydrophobicContact CD1-CE2 4.41Å; L207-Y215 HydrophobicContact CD1-CG 3.74Å; L207-Y215 HydrophobicContact CD2-CD2 3.89Å; L207-Y215 HydrophobicContact CD2-CE2 3.81Å; L207-Y215 HydrophobicContact CD2-CG 4.29Å; L207-Y252 HydrophobicContact CD2-CD2 3.63Å; L207-Y252 HydrophobicContact CD2-CE2 3.9Å; L207-D402 WeakPolarHBondContact CA-OD2 3.18Å; L207-D402 PolarHBondContact N-OD1 2.89Å; L207-C403 PolarHBondContact N-O 3.34Å; L207-R405 HydrophobicContact CD1-CB 4.28Å
208S92.4Very high86.9Confident51 Ų5165.4 Ų65.436%0.35736%0.355SS..THydrogen-bonded Turntrans-64.4-24.6179.756.50000114S205 T206 D402S205-S208 VanDerWaalsContact O-CB 3.26Å; S205-S208 WeakPolarHBondContact O-CB 3.32Å; S205-S208 PolarHBondContact O-N 3.36Å; S205-S208 PolarHBondContact O-OG 3.19Å; S205-S208 WeakPolarHBondContact OG-CB 3.26Å; T206-S208 VanDerWaalsContact C-N 3.27Å; T206-S208 PolarHBondContact O-N 2.95Å; S208-D402 PolarHBondContact N-OD1 3.46Å; S208-D402 PolarHBondContact N-OD2 3.03Å; S208-D402 PolarHBondContact OG-OD1 2.8Å
209L95.5Very high88.2Confident40 Ų4064.6 Ų64.621%0.20934%0.344CS..THydrogen-bonded Turntrans-91.1-5.8179.8-56.9-176.8000113.4L207 E400 D402 V415L207-L209 PolarHBondContact O-N 2.97Å; L209-E400 HydrophobicContact CD1-CB 3.61Å; L209-E400 HydrophobicContact CD2-CB 4.02Å; L209-E400 HydrophobicContact CD2-CG 4.43Å; L209-E400 HydrophobicContact CG-CB 4.48Å; L209-D402 HydrophobicContact CB-CB 4.5Å; L209-D402 WeakPolarHBondContact CB-OD2 3.15Å; L209-D402 HydrophobicContact CD1-CB 3.79Å; L209-D402 HydrophobicContact CG-CB 3.81Å; L209-D402 PolarHBondContact N-OD2 3.11Å; L209-V415 HydrophobicContact CD1-CG2 4.33Å
210L95.4Very high89.6Confident11 Ų1159.3 Ų59.36%0.05832%0.322CS..SBendtrans-127.9145.6-171.1-57.8-175.5000112.8L207 V212 Y215 Y252 V255 L256L207-L210 PolarHBondContact O-N 3.31Å; L210-V212 PolarHBondContact O-N 3.12Å; L210-V212 VanDerWaalsContact O-N 3.1Å; L210-Y215 HydrophobicContact CD1-CD2 4.23Å; L210-Y252 HydrophobicContact CD1-CD1 4.16Å; L210-Y252 HydrophobicContact CD1-CD2 3.25Å; L210-Y252 HydrophobicContact CD1-CE1 4.27Å; L210-Y252 HydrophobicContact CD1-CE2 3.38Å; L210-Y252 HydrophobicContact CD1-CG 3.66Å; L210-Y252 WeakPolarHBondContact CD1-O 3.39Å; L210-Y252 HydrophobicContact CG-CD2 4.21Å; L210-Y252 HydrophobicContact CG-CE2 3.81Å; L210-V255 HydrophobicContact CB-CG1 4.35Å; L210-V255 HydrophobicContact CD1-CB 4.3Å; L210-V255 HydrophobicContact CD1-CG1 4.36Å; L210-V255 HydrophobicContact CD2-CG1 4.24Å; L210-L256 HydrophobicContact CD2-CB 3.79Å; L210-L256 HydrophobicContact CD2-CD1 3.87Å; L210-L256 HydrophobicContact CD2-CG 4.46Å
211P93.9Very high91.1Very high47 Ų4760.3 Ų60.331%0.30531%0.308SS..  trans-62.3115167.6-21.834.1000110.9E213 K214 Y215 E259P211-E213 PolarHBondContact O-N 2.84Å; P211-K214 HydrophobicContact CB-CB 4.24Å; P211-K214 HydrophobicContact CB-CD 4.16Å; P211-K214 HydrophobicContact CB-CG 4.15Å; P211-K214 HydrophobicContact CG-CD 4.14Å; P211-K214 PolarHBondContact O-N 2.82Å; P211-Y215 PolarHBondContact O-N 3.34Å; P211-E259 HydrophobicContact CG-CG 4.28Å
212V91.4Very high92.3Very high29 Ų2956 Ų5618%0.17628%0.278CS..Hα-helixtrans-58.1-33.7-176.6177.20000111.8I100 L210 S216I100-V212 HydrophobicContact CD1-CB 3.98Å; I100-V212 HydrophobicContact CD1-CG1 3.95Å; L210-V212 PolarHBondContact O-N 3.12Å; L210-V212 VanDerWaalsContact O-N 3.1Å; V212-S216 VanDerWaalsContact O-CB 3.24Å; V212-S216 WeakPolarHBondContact O-CB 3.43Å; V212-S216 PolarHBondContact O-N 3.46Å; V212-S216 PolarHBondContact O-OG 2.98Å
213E89.8Confident93Very high119 Ų11954.3 Ų54.356%0.55627%0.269SS*.Hα-helixtrans-64.4-55.3177.5-175178.5-167.500111.9I100 P211 Y215 S216 L217I100-E213 HydrophobicContact CD1-CB 4.01Å; P211-E213 PolarHBondContact O-N 2.84Å; E213-Y215 VanDerWaalsContact C-N 3.29Å; E213-Y215 PolarHBondContact O-N 3.41Å; E213-S216 PolarHBondContact O-N 3.05Å; E213-L217 PolarHBondContact O-N 3.47Å
214K94.3Very high93.4Very high98 Ų9857.7 Ų57.743%0.42629%0.286SS..Hα-helixtrans-58.3-41.9178-66.3-177.5-178.3171.60111.5P211 T218 V255 E259P211-K214 HydrophobicContact CB-CB 4.24Å; P211-K214 HydrophobicContact CB-CD 4.16Å; P211-K214 HydrophobicContact CB-CG 4.15Å; P211-K214 HydrophobicContact CG-CD 4.14Å; P211-K214 PolarHBondContact O-N 2.82Å; K214-T218 VanDerWaalsContact O-CB 3.32Å; K214-T218 WeakPolarHBondContact O-CB 3.27Å; K214-T218 PolarHBondContact O-N 2.9Å; K214-T218 VanDerWaalsContact O-N 3.08Å; K214-T218 PolarHBondContact O-OG1 2.51Å; K214-V255 HydrophobicContact CB-CG1 3.99Å; K214-V255 HydrophobicContact CB-CG2 4.49Å; K214-E259 VanDerWaalsContact CD-OE1 3.23Å; K214-E259 WeakPolarHBondContact CD-OE1 3.36Å; K214-E259 WeakPolarHBondContact CE-OE1 3.39Å; K214-E259 IonicContact NZ-OE1 3.71Å; K214-E259 PolarHBondContact NZ-OE1 3.28Å; K214-E259 IonicContact NZ-OE2 2.86Å; K214-E259 PolarHBondContact NZ-OE2 2.91Å
215Y96.3Very high93.9Very high4 Ų456.7 Ų56.72%0.01628%0.281CS..Hα-helixtrans-59.6-48.4173.2178.8-84.5000111.6L207 L210 P211 E213 L217 T218 Y219 A248 T251 R405L207-Y215 HydrophobicContact CD1-CD1 3.5Å; L207-Y215 VanDerWaalsContact CD1-CD1 3.5Å; L207-Y215 HydrophobicContact CD1-CD2 4.19Å; L207-Y215 HydrophobicContact CD1-CE1 3.78Å; L207-Y215 HydrophobicContact CD1-CE2 4.41Å; L207-Y215 HydrophobicContact CD1-CG 3.74Å; L207-Y215 HydrophobicContact CD2-CD2 3.89Å; L207-Y215 HydrophobicContact CD2-CE2 3.81Å; L207-Y215 HydrophobicContact CD2-CG 4.29Å; L210-Y215 HydrophobicContact CD1-CD2 4.23Å; P211-Y215 PolarHBondContact O-N 3.34Å; E213-Y215 VanDerWaalsContact C-N 3.29Å; E213-Y215 PolarHBondContact O-N 3.41Å; Y215-L217 PolarHBondContact O-N 2.64Å; Y215-T218 PolarHBondContact O-N 3.34Å; Y215-Y219 HydrophobicContact CE1-CG 4.4Å; Y215-Y219 VanDerWaalsContact O-CB 3.25Å; Y215-Y219 WeakPolarHBondContact O-CB 3.45Å; Y215-Y219 PolarHBondContact O-N 3.07Å; Y215-A248 WeakPolarHBondContact OH-CB 3.35Å; Y215-T251 HydrophobicContact CD1-CG2 4.45Å; Y215-T251 HydrophobicContact CD2-CG2 3.52Å; Y215-T251 HydrophobicContact CE1-CG2 4.49Å; Y215-T251 HydrophobicContact CE2-CG2 3.59Å; Y215-T251 HydrophobicContact CG-CG2 3.98Å; Y215-T251 VanDerWaalsContact O-CG2 3.31Å; Y215-T251 WeakPolarHBondContact O-CG2 3.23Å; Y215-R405 HydrophobicContact CE1-CB 4.37Å
216S92.6Very high94.3Very high8 Ų854.7 Ų54.76%0.05627%0.266CS..Hα-helixtrans-65-43.1-174.7-61.70000112.1C39 V212 E213 Y219 Q220C39-S216 VanDerWaalsContact CB-OG 3.23Å; C39-S216 WeakPolarHBondContact CB-OG 3.3Å; V212-S216 VanDerWaalsContact O-CB 3.24Å; V212-S216 WeakPolarHBondContact O-CB 3.43Å; V212-S216 PolarHBondContact O-N 3.46Å; V212-S216 PolarHBondContact O-OG 2.98Å; E213-S216 PolarHBondContact O-N 3.05Å; S216-Y219 PolarHBondContact O-N 3.49Å; S216-Q220 WeakPolarHBondContact O-CG 3.49Å; S216-Q220 PolarHBondContact O-N 3.32Å; S216-Q220 VanDerWaalsContact O-N 3.09Å
217L92.4Very high94.5Very high134 Ų13456.7 Ų56.770%0.70227%0.271SS*.Hα-helixtrans-62-49.8176-179.165000111.3E213 Y215 Y219 Q220 R221E213-L217 PolarHBondContact O-N 3.47Å; Y215-L217 PolarHBondContact O-N 2.64Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 3.05Å; L217-Q220 PolarHBondContact O-N 2.86Å; L217-R221 PolarHBondContact O-N 3.4Å; L217-R221 VanDerWaalsContact O-N 3.09Å
218T96.6Very high94.5Very high20 Ų2060.3 Ų60.312%0.12330%0.296CS..Hα-helixtrans-62.9-41.3-179.8-55.50000111.1K214 Y215 Q220 R221 L222 T251 V255K214-T218 VanDerWaalsContact O-CB 3.32Å; K214-T218 WeakPolarHBondContact O-CB 3.27Å; K214-T218 PolarHBondContact O-N 2.9Å; K214-T218 VanDerWaalsContact O-N 3.08Å; K214-T218 PolarHBondContact O-OG1 2.51Å; Y215-T218 PolarHBondContact O-N 3.34Å; T218-Q220 PolarHBondContact O-N 3.43Å; T218-R221 WeakPolarHBondContact O-CB 3.47Å; T218-R221 PolarHBondContact O-N 3.04Å; T218-L222 HydrophobicContact CG2-CD1 3.9Å; T218-L222 HydrophobicContact CG2-CG 4.3Å; T218-L222 WeakPolarHBondContact O-CG 3.43Å; T218-L222 PolarHBondContact O-N 3.08Å; T218-T251 HydrophobicContact CG2-CG2 3.91Å; T218-V255 HydrophobicContact CG2-CG2 4.37Å
219Y96.1Very high94.4Very high42 Ų4258.7 Ų58.717%0.16528%0.283CS..Hα-helixtrans-61.6-45.7177.5-178.8-105.4000111.9Y215 S216 L217 R221 L222 K223 V247 A248 T251Y215-Y219 HydrophobicContact CE1-CG 4.4Å; Y215-Y219 VanDerWaalsContact O-CB 3.25Å; Y215-Y219 WeakPolarHBondContact O-CB 3.45Å; Y215-Y219 PolarHBondContact O-N 3.07Å; S216-Y219 PolarHBondContact O-N 3.49Å; L217-Y219 VanDerWaalsContact C-N 3.33Å; L217-Y219 PolarHBondContact O-N 3.05Å; Y219-R221 VanDerWaalsContact C-N 3.35Å; Y219-R221 PolarHBondContact O-N 3.01Å; Y219-L222 PolarHBondContact O-N 2.87Å; Y219-K223 HydrophobicContact CE1-CD 3.88Å; Y219-K223 WeakPolarHBondContact O-CB 3.49Å; Y219-K223 PolarHBondContact O-N 3.49Å; Y219-V247 HydrophobicContact CD2-CG1 3.99Å; Y219-V247 HydrophobicContact CE2-CG1 3.86Å; Y219-A248 HydrophobicContact CD2-CB 4.18Å; Y219-A248 HydrophobicContact CE2-CB 3.76Å; Y219-T251 WeakPolarHBondContact CA-OG1 3.43Å
220Q93.4Very high94.2Very high65 Ų6558 Ų5830%0.30428%0.28SS..Hα-helixtrans-63.3-42.3177.9-66.1-49.5-4000111.5S216 L217 T218 K223 E224S216-Q220 WeakPolarHBondContact O-CG 3.49Å; S216-Q220 PolarHBondContact O-N 3.32Å; S216-Q220 VanDerWaalsContact O-N 3.09Å; L217-Q220 PolarHBondContact O-N 2.86Å; T218-Q220 PolarHBondContact O-N 3.43Å; Q220-K223 PolarHBondContact O-N 2.83Å; Q220-E224 PolarHBondContact O-N 2.8Å
221R96.1Very high93.9Very high136 Ų13666.3 Ų66.351%0.51332%0.316SS..Hα-helixtrans-57.7-52.5176.4-174.6-171.179.3-162.47.2111.5L217 T218 Y219 E224 K225 E289L217-R221 PolarHBondContact O-N 3.4Å; L217-R221 VanDerWaalsContact O-N 3.09Å; T218-R221 WeakPolarHBondContact O-CB 3.47Å; T218-R221 PolarHBondContact O-N 3.04Å; Y219-R221 VanDerWaalsContact C-N 3.35Å; Y219-R221 PolarHBondContact O-N 3.01Å; R221-E224 PolarHBondContact O-N 2.78Å; R221-K225 WeakPolarHBondContact O-CB 3.34Å; R221-K225 PolarHBondContact O-N 2.75Å; R221-E289 IonicContact CZ-OE2 2.9Å; R221-E289 IonicContact NE-OE2 3.89Å; R221-E289 IonicContact NH2-OE2 3.51Å; R221-E289 PolarHBondContact NH2-OE2 3.49Å
222L97.6Very high93.6Very high0 Ų068 Ų680%033%0.325CS..Hα-helixtrans-67.6-40-179.1-64.6176.1000111.3T218 Y219 E224 K225 Y226 V247 T251 L254 I285 E289T218-L222 HydrophobicContact CG2-CD1 3.9Å; T218-L222 HydrophobicContact CG2-CG 4.3Å; T218-L222 WeakPolarHBondContact O-CG 3.43Å; T218-L222 PolarHBondContact O-N 3.08Å; Y219-L222 PolarHBondContact O-N 2.87Å; L222-E224 VanDerWaalsContact C-N 3.33Å; L222-E224 PolarHBondContact O-N 3.3Å; L222-K225 PolarHBondContact O-N 3.31Å; L222-Y226 HydrophobicContact CB-CD2 4.32Å; L222-Y226 HydrophobicContact CD2-CD2 4.37Å; L222-Y226 HydrophobicContact CD2-CE2 3.81Å; L222-Y226 VanDerWaalsContact O-CD2 3.26Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L222-Y226 PolarHBondContact O-N 3Å; L222-V247 HydrophobicContact CB-CG1 3.77Å; L222-T251 WeakPolarHBondContact CD1-OG1 3.27Å; L222-L254 HydrophobicContact CD1-CD1 3.77Å; L222-I285 HydrophobicContact CD2-CG2 4.47Å; L222-E289 HydrophobicContact CD2-CG 3.76Å; L222-E289 WeakPolarHBondContact CD2-OE1 3.31Å; L222-E289 WeakPolarHBondContact CD2-OE2 3.43Å
223K95.1Very high93.5Very high56 Ų5667.9 Ų67.924%0.24332%0.322CS..Hα-helixtrans-58-45.2177.6-176175-176.9175.70111.6Y219 Q220 K227 Y244 V247Y219-K223 HydrophobicContact CE1-CD 3.88Å; Y219-K223 WeakPolarHBondContact O-CB 3.49Å; Y219-K223 PolarHBondContact O-N 3.49Å; Q220-K223 PolarHBondContact O-N 2.83Å; K223-K227 WeakPolarHBondContact O-CB 3.08Å; K223-K227 PolarHBondContact O-N 2.93Å; K223-K227 VanDerWaalsContact O-N 3.1Å; K223-Y244 HydrophobicContact CD-CD1 4.35Å; K223-Y244 HydrophobicContact CD-CE1 4.25Å; K223-Y244 HydrophobicContact CG-CD1 3.87Å; K223-Y244 HydrophobicContact CG-CE1 3.61Å; K223-V247 HydrophobicContact CB-CG1 4.39Å
224E95.4Very high93.3Very high117 Ų11764.5 Ų64.555%0.54731%0.31SS..Hα-helixtrans-70.8-41.9177.6-16659.5-149.300111.4Q220 R221 L222 Y226 K227Q220-E224 PolarHBondContact O-N 2.8Å; R221-E224 PolarHBondContact O-N 2.78Å; L222-E224 VanDerWaalsContact C-N 3.33Å; L222-E224 PolarHBondContact O-N 3.3Å; E224-Y226 PolarHBondContact O-N 3.13Å; E224-K227 WeakPolarHBondContact O-CB 3.38Å; E224-K227 PolarHBondContact O-N 2.92Å; E224-K227 WeakPolarHBondContact OE1-CD 3.33Å; E224-K227 IonicContact OE1-NZ 2.88Å; E224-K227 PolarHBondContact OE1-NZ 3.36Å; E224-K227 WeakPolarHBondContact OE2-CD 3.39Å; E224-K227 IonicContact OE2-NZ 2.58Å; E224-K227 PolarHBondContact OE2-NZ 2.7Å
225K96.8Very high92.9Very high109 Ų10961.7 Ų61.747%0.47430%0.298SS..Hα-helixtrans-58.3-43.4178.5-176.3174.7176.7-177.40112.9R221 L222 E289R221-K225 WeakPolarHBondContact O-CB 3.34Å; R221-K225 PolarHBondContact O-N 2.75Å; L222-K225 PolarHBondContact O-N 3.31Å; K225-E289 WeakPolarHBondContact CE-OE1 3.4Å; K225-E289 IonicContact NZ-OE1 3.04Å; K225-E289 PolarHBondContact NZ-OE1 3.34Å
226Y95.8Very high92.1Very high10 Ų1067.8 Ų67.84%0.03934%0.336CS..THydrogen-bonded Turntrans-100.66.7-175.6-62.9-77000113.9L222 E224 S228 M229 I285 N288 E289L222-Y226 HydrophobicContact CB-CD2 4.32Å; L222-Y226 HydrophobicContact CD2-CD2 4.37Å; L222-Y226 HydrophobicContact CD2-CE2 3.81Å; L222-Y226 VanDerWaalsContact O-CD2 3.26Å; L222-Y226 WeakPolarHBondContact O-CD2 3.18Å; L222-Y226 PolarHBondContact O-N 3Å; E224-Y226 PolarHBondContact O-N 3.13Å; Y226-S228 PolarHBondContact O-N 2.88Å; Y226-M229 HydrophobicContact CD1-CE 4.2Å; Y226-M229 WeakPolarHBondContact O-CB 3.39Å; Y226-M229 PolarHBondContact O-N 3.25Å; Y226-I285 HydrophobicContact CD1-CG1 4.14Å; Y226-I285 HydrophobicContact CD2-CG1 4.16Å; Y226-I285 HydrophobicContact CD2-CG2 4.39Å; Y226-I285 HydrophobicContact CE1-CG1 4Å; Y226-I285 HydrophobicContact CE2-CB 4.39Å; Y226-I285 HydrophobicContact CE2-CG1 4.05Å; Y226-I285 HydrophobicContact CE2-CG2 3.78Å; Y226-I285 HydrophobicContact CG-CG1 4.22Å; Y226-N288 WeakPolarHBondContact OH-CB 3.44Å; Y226-E289 PolarHBondContact OH-OE1 3.02Å
227K94.4Very high91.7Very high91 Ų9169.8 Ų69.840%0.39635%0.348SS..G310 helixtrans-55.7-34.6178.4-173175178.81790113.8K223 E224 M229 V230K223-K227 WeakPolarHBondContact O-CB 3.08Å; K223-K227 PolarHBondContact O-N 2.93Å; K223-K227 VanDerWaalsContact O-N 3.1Å; E224-K227 WeakPolarHBondContact O-CB 3.38Å; E224-K227 PolarHBondContact O-N 2.92Å; E224-K227 WeakPolarHBondContact OE1-CD 3.33Å; E224-K227 IonicContact OE1-NZ 2.88Å; E224-K227 PolarHBondContact OE1-NZ 3.36Å; E224-K227 WeakPolarHBondContact OE2-CD 3.39Å; E224-K227 IonicContact OE2-NZ 2.58Å; E224-K227 PolarHBondContact OE2-NZ 2.7Å; K227-M229 PolarHBondContact O-N 2.78Å; K227-V230 WeakPolarHBondContact O-CB 3.21Å; K227-V230 PolarHBondContact O-N 3.33Å
228S92.9Very high91.3Very high79 Ų7967.6 Ų67.655%0.55234%0.337SS*.G310 helixtrans-62.8-28.7178.656.40000112.4Y226 V230 K231Y226-S228 PolarHBondContact O-N 2.88Å; S228-V230 PolarHBondContact O-N 2.92Å; S228-K231 WeakPolarHBondContact O-CB 3.42Å; S228-K231 PolarHBondContact O-N 3.15Å
229M91.5Very high90.9Very high18 Ų1868.5 Ų68.59%0.08934%0.343CS..G310 helixtrans-57.1-33.3178.8-16380.771.400112Y226 K227 K231 V232 W233 V243 L281 Y307Y226-M229 HydrophobicContact CD1-CE 4.2Å; Y226-M229 WeakPolarHBondContact O-CB 3.39Å; Y226-M229 PolarHBondContact O-N 3.25Å; K227-M229 PolarHBondContact O-N 2.78Å; M229-K231 VanDerWaalsContact C-N 3.25Å; M229-K231 PolarHBondContact O-N 2.97Å; M229-V232 PolarHBondContact O-N 2.88Å; M229-W233 HydrophobicContact CG-CE3 4.09Å; M229-W233 HydrophobicContact CG-CZ3 4.19Å; M229-W233 PolarHBondContact O-N 2.7Å; M229-W233 VanDerWaalsContact O-N 3.16Å; M229-V243 HydrophobicContact CB-CG1 4.07Å; M229-V243 HydrophobicContact CB-CG2 4.17Å; M229-V243 HydrophobicContact CG-CG1 4.49Å; M229-V243 HydrophobicContact CG-CG2 3.98Å; M229-L281 HydrophobicContact CE-CD1 3.38Å; M229-L281 HydrophobicContact CG-CD1 4.19Å; M229-L281 HydrophobicContact SD-CD1 4.2Å; M229-Y307 HydrophobicContact CE-CE1 4.21Å; M229-Y307 HydrophobicContact SD-CE1 4.3Å
230V90.9Very high90.6Very high24 Ų2472.3 Ų72.315%0.14536%0.362CS..G310 helixtrans-60.5-36.1177.1178.30000111.7K227 S228 P239 E240 V243 Y244K227-V230 WeakPolarHBondContact O-CB 3.21Å; K227-V230 PolarHBondContact O-N 3.33Å; S228-V230 PolarHBondContact O-N 2.92Å; V230-P239 HydrophobicContact CG1-CB 3.99Å; V230-P239 HydrophobicContact CG1-CG 4.16Å; V230-E240 HydrophobicContact CG1-CG 3.72Å; V230-V243 HydrophobicContact CG2-CB 3.93Å; V230-V243 HydrophobicContact CG2-CG1 3.93Å; V230-V243 HydrophobicContact CG2-CG2 4.11Å; V230-Y244 HydrophobicContact CG2-CE1 4.35Å; V230-Y244 HydrophobicContact CG2-CE2 4.19Å
231K89Confident90.4Very high186 Ų18673.4 Ų73.481%0.80937%0.366SS*.THydrogen-bonded Turntrans-77.4-27.1-176.3-62.4-177.3178.5-179.80113.1S228 M229S228-K231 WeakPolarHBondContact O-CB 3.42Å; S228-K231 PolarHBondContact O-N 3.15Å; M229-K231 VanDerWaalsContact C-N 3.25Å; M229-K231 PolarHBondContact O-N 2.97Å
232V87.9Confident90.1Very high83 Ų8369.9 Ų69.950%0.50336%0.355SS..SBendtrans-109.711.7-173.6-64.40000112.8M229 P234 M306M229-V232 PolarHBondContact O-N 2.88Å; V232-P234 VanDerWaalsContact O-CD 3.3Å; V232-P234 WeakPolarHBondContact O-CD 3.46Å; V232-M306 HydrophobicContact CB-CE 3.75Å; V232-M306 HydrophobicContact CG2-CE 3.49Å; V232-M306 VanDerWaalsContact CG2-CE 3.49Å; V232-M306 WeakPolarHBondContact O-CE 3.31Å
233W89Confident90Very high27 Ų2769.9 Ų69.910%0.10236%0.355CS..  trans-62115.7-176.6-166.8-107000112.2M229 E235 T237 P239 F242 V243 N279 L281 I303M229-W233 HydrophobicContact CG-CE3 4.09Å; M229-W233 HydrophobicContact CG-CZ3 4.19Å; M229-W233 PolarHBondContact O-N 2.7Å; M229-W233 VanDerWaalsContact O-N 3.16Å; W233-E235 HydrophobicContact CZ2-CB 4.42Å; W233-E235 HydrophobicContact CZ2-CG 4.38Å; W233-T237 PolarHBondContact NE1-OG1 3.28Å; W233-P239 HydrophobicContact CB-CB 3.54Å; W233-P239 HydrophobicContact CD2-CB 4.26Å; W233-P239 HydrophobicContact CG-CB 3.58Å; W233-F242 HydrophobicContact CH2-CB 4.29Å; W233-F242 HydrophobicContact CZ2-CB 3.86Å; W233-V243 HydrophobicContact CD2-CG2 4.22Å; W233-V243 HydrophobicContact CE3-CG2 3.49Å; W233-V243 VanDerWaalsContact CE3-CG2 3.49Å; W233-V243 HydrophobicContact CH2-CG2 4.29Å; W233-V243 HydrophobicContact CZ3-CG2 3.53Å; W233-N279 HydrophobicContact CH2-CB 4.42Å; W233-L281 HydrophobicContact CH2-CD2 4.21Å; W233-L281 HydrophobicContact CZ3-CD2 3.91Å; W233-I303 HydrophobicContact CD2-CD1 4.12Å; W233-I303 HydrophobicContact CE3-CD1 3.35Å; W233-I303 HydrophobicContact CH2-CD1 3.73Å; W233-I303 HydrophobicContact CZ2-CD1 4.45Å; W233-I303 HydrophobicContact CZ3-CD1 3.11Å
234P84.6Confident90Very high47 Ų4769.2 Ų69.231%0.30535%0.351SS..  trans-90.4-7.8-174.436.6-36000113.4V232 R302 I303 M306V232-P234 VanDerWaalsContact O-CD 3.3Å; V232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-R302 HydrophobicContact CG-CB 4.49Å; P234-I303 HydrophobicContact CG-CB 3.62Å; P234-I303 HydrophobicContact CG-CG1 3.91Å; P234-M306 HydrophobicContact CB-SD 4.29Å; P234-M306 HydrophobicContact CG-SD 3.63Å
235E86Confident90Very high39 Ų3964.1 Ų64.118%0.18233%0.327CS..SBendtrans-83.6159.9-178.1-55.9-60.415400111.8W233 T237 R302 I303W233-E235 HydrophobicContact CZ2-CB 4.42Å; W233-E235 HydrophobicContact CZ2-CG 4.38Å; E235-T237 PolarHBondContact O-N 2.78Å; E235-R302 WeakPolarHBondContact OE1-CA 3.2Å; E235-R302 WeakPolarHBondContact OE1-CB 3.21Å; E235-R302 PolarHBondContact OE1-N 2.8Å; E235-I303 HydrophobicContact CG-CB 4.31Å; E235-I303 HydrophobicContact CG-CG2 4.39Å; E235-I303 PolarHBondContact OE1-N 2.88Å
236V80.6Confident90Very high132 Ų13259.3 Ų59.380%0.831%0.306SS*.SBendtrans-78.5-3.9-179.7-63.10000113.6
237T82.9Confident90.1Very high51 Ų5158.8 Ų58.831%0.31330%0.304SS..SBendtrans-79.7163.1179.151.50000111.6W233 E235 P239 F242W233-T237 PolarHBondContact NE1-OG1 3.28Å; E235-T237 PolarHBondContact O-N 2.78Å; T237-P239 VanDerWaalsContact O-CD 3.3Å; T237-P239 WeakPolarHBondContact O-CD 3.46Å; T237-F242 HydrophobicContact CG2-CD2 4.36Å; T237-F242 HydrophobicContact CG2-CE1 4.19Å; T237-F242 HydrophobicContact CG2-CE2 3.83Å; T237-F242 HydrophobicContact CG2-CZ 3.72Å
238D84.9Confident90.3Very high88 Ų8854.5 Ų54.547%0.47129%0.286SS..  trans-67.1113175.7178.7-8000110.5E240 K241 F242D238-E240 VanDerWaalsContact C-N 3.35Å; D238-E240 PolarHBondContact O-N 3.26Å; D238-E240 PolarHBondContact OD1-N 2.85Å; D238-K241 HydrophobicContact CB-CB 4.01Å; D238-K241 PolarHBondContact O-N 3.22Å; D238-K241 PolarHBondContact OD1-N 3.38Å; D238-F242 VanDerWaalsContact O-CD2 3.24Å; D238-F242 WeakPolarHBondContact O-CD2 3.4Å; D238-F242 PolarHBondContact O-N 3.24Å; D238-F242 VanDerWaalsContact O-N 3.09Å
239P88.9Confident90.6Very high38 Ų3850.8 Ų50.825%0.24726%0.26CS..Hα-helixtrans-64.5-37.5-175.627.2-35.7000112.9V230 W233 T237 K241 V243V230-P239 HydrophobicContact CG1-CB 3.99Å; V230-P239 HydrophobicContact CG1-CG 4.16Å; W233-P239 HydrophobicContact CB-CB 3.54Å; W233-P239 HydrophobicContact CD2-CB 4.26Å; W233-P239 HydrophobicContact CG-CB 3.58Å; T237-P239 VanDerWaalsContact O-CD 3.3Å; T237-P239 WeakPolarHBondContact O-CD 3.46Å; P239-K241 VanDerWaalsContact C-N 3.33Å; P239-K241 PolarHBondContact O-N 3.47Å; P239-V243 WeakPolarHBondContact O-CB 3.45Å; P239-V243 WeakPolarHBondContact O-CG2 3.26Å; P239-V243 PolarHBondContact O-N 2.99Å
240E89.2Confident90.9Very high122 Ų12249.9 Ų49.957%0.5726%0.255SS*.Hα-helixtrans-67-40.8-178.8-71.5-170.117500110.7V230 D238 Y244V230-E240 HydrophobicContact CG1-CG 3.72Å; D238-E240 VanDerWaalsContact C-N 3.35Å; D238-E240 PolarHBondContact O-N 3.26Å; D238-E240 PolarHBondContact OD1-N 2.85Å; E240-Y244 HydrophobicContact CB-CD2 4.41Å; E240-Y244 HydrophobicContact CB-CE2 4.36Å; E240-Y244 HydrophobicContact CG-CE2 4.45Å; E240-Y244 WeakPolarHBondContact O-CB 3.44Å; E240-Y244 WeakPolarHBondContact O-CD2 3.46Å; E240-Y244 PolarHBondContact O-N 3.14Å
241K88.7Confident91.3Very high88 Ų8848.8 Ų48.838%0.38325%0.248SC..Hα-helixtrans-64.5-54177.5-175.9-174.7172.7-170.80111.3D238 P239 E245 P407D238-K241 HydrophobicContact CB-CB 4.01Å; D238-K241 PolarHBondContact O-N 3.22Å; D238-K241 PolarHBondContact OD1-N 3.38Å; P239-K241 VanDerWaalsContact C-N 3.33Å; P239-K241 PolarHBondContact O-N 3.47Å; K241-E245 WeakPolarHBondContact O-CB 3.44Å; K241-E245 PolarHBondContact O-N 2.95Å; K241-E245 VanDerWaalsContact O-N 3.08Å; K241-P407 HydrophobicContact CG-CG 4.03Å
242F89.8Confident91.7Very high63 Ų6339.9 Ų39.928%0.27621%0.21SC..Hα-helixtrans-75-41.5-170-78.3-102.5000112.4W233 T237 D238 Y244 E245 D246W233-F242 HydrophobicContact CH2-CB 4.29Å; W233-F242 HydrophobicContact CZ2-CB 3.86Å; T237-F242 HydrophobicContact CG2-CD2 4.36Å; T237-F242 HydrophobicContact CG2-CE1 4.19Å; T237-F242 HydrophobicContact CG2-CE2 3.83Å; T237-F242 HydrophobicContact CG2-CZ 3.72Å; D238-F242 VanDerWaalsContact O-CD2 3.24Å; D238-F242 WeakPolarHBondContact O-CD2 3.4Å; D238-F242 PolarHBondContact O-N 3.24Å; D238-F242 VanDerWaalsContact O-N 3.09Å; F242-Y244 PolarHBondContact O-N 3.47Å; F242-E245 PolarHBondContact O-N 2.9Å; F242-D246 PolarHBondContact O-N 3.23Å
243V94.7Very high92.3Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-62.1-47.9178.2173.60000110.8M229 V230 W233 P239 E245 D246 V247 L281M229-V243 HydrophobicContact CB-CG1 4.07Å; M229-V243 HydrophobicContact CB-CG2 4.17Å; M229-V243 HydrophobicContact CG-CG1 4.49Å; M229-V243 HydrophobicContact CG-CG2 3.98Å; V230-V243 HydrophobicContact CG2-CB 3.93Å; V230-V243 HydrophobicContact CG2-CG1 3.93Å; V230-V243 HydrophobicContact CG2-CG2 4.11Å; W233-V243 HydrophobicContact CD2-CG2 4.22Å; W233-V243 HydrophobicContact CE3-CG2 3.49Å; W233-V243 VanDerWaalsContact CE3-CG2 3.49Å; W233-V243 HydrophobicContact CH2-CG2 4.29Å; W233-V243 HydrophobicContact CZ3-CG2 3.53Å; P239-V243 WeakPolarHBondContact O-CB 3.45Å; P239-V243 WeakPolarHBondContact O-CG2 3.26Å; P239-V243 PolarHBondContact O-N 2.99Å; V243-E245 VanDerWaalsContact C-N 3.33Å; V243-E245 PolarHBondContact O-N 2.84Å; V243-D246 PolarHBondContact O-N 3.1Å; V243-V247 HydrophobicContact CG1-CG2 4.42Å; V243-V247 WeakPolarHBondContact O-CB 3.27Å; V243-V247 VanDerWaalsContact O-CG2 3.23Å; V243-V247 WeakPolarHBondContact O-CG2 3.39Å; V243-V247 PolarHBondContact O-N 3.14Å; V243-L281 HydrophobicContact CB-CD2 4.26Å; V243-L281 HydrophobicContact CG1-CD2 4.31Å; V243-L281 HydrophobicContact CG2-CD2 4.13Å
244Y95.3Very high92.7Very high42 Ų4235.5 Ų35.517%0.16519%0.185CC..Hα-helixtrans-77.2-19.3-177.2-61.6-45.6000113.7K223 V230 E240 F242 A248K223-Y244 HydrophobicContact CD-CD1 4.35Å; K223-Y244 HydrophobicContact CD-CE1 4.25Å; K223-Y244 HydrophobicContact CG-CD1 3.87Å; K223-Y244 HydrophobicContact CG-CE1 3.61Å; V230-Y244 HydrophobicContact CG2-CE1 4.35Å; V230-Y244 HydrophobicContact CG2-CE2 4.19Å; E240-Y244 HydrophobicContact CB-CD2 4.41Å; E240-Y244 HydrophobicContact CB-CE2 4.36Å; E240-Y244 HydrophobicContact CG-CE2 4.45Å; E240-Y244 WeakPolarHBondContact O-CB 3.44Å; E240-Y244 WeakPolarHBondContact O-CD2 3.46Å; E240-Y244 PolarHBondContact O-N 3.14Å; F242-Y244 PolarHBondContact O-N 3.47Å; Y244-A248 WeakPolarHBondContact O-CB 3.36Å; Y244-A248 PolarHBondContact O-N 2.97Å; Y244-A248 VanDerWaalsContact O-N 3.12Å
245E95.9Very high93.4Very high10 Ų1033.5 Ų33.55%0.04717%0.172CC..Hα-helixtrans-68.5-51.7168.5-175.2160.2109.100110.5K241 F242 V243 V247 A248 I249 H336 I406 P407 S408K241-E245 WeakPolarHBondContact O-CB 3.44Å; K241-E245 PolarHBondContact O-N 2.95Å; K241-E245 VanDerWaalsContact O-N 3.08Å; F242-E245 PolarHBondContact O-N 2.9Å; V243-E245 VanDerWaalsContact C-N 3.33Å; V243-E245 PolarHBondContact O-N 2.84Å; E245-V247 VanDerWaalsContact C-N 3.34Å; E245-V247 PolarHBondContact O-N 3.09Å; E245-A248 WeakPolarHBondContact O-CB 3.33Å; E245-A248 PolarHBondContact O-N 3.4Å; E245-A248 VanDerWaalsContact O-N 3.09Å; E245-I249 HydrophobicContact CG-CD1 4.1Å; E245-I249 WeakPolarHBondContact O-CG1 3.38Å; E245-I249 PolarHBondContact O-N 2.96Å; E245-H336 IonicContact OE1-CD2 2.66Å; E245-H336 IonicContact OE1-NE2 2.69Å; E245-I406 HydrophobicContact CG-CB 4.13Å; E245-I406 HydrophobicContact CG-CD1 4.36Å; E245-I406 HydrophobicContact CG-CG2 4.15Å; E245-P407 HydrophobicContact CB-CG 4.26Å; E245-S408 WeakPolarHBondContact OE2-CB 3.13Å
246D97.2Very high94Very high7 Ų732 Ų324%0.03717%0.165CC..Hα-helixtrans-64.8-36.4177.2-73.1-31.5000112.1F242 V243 A248 I249 A250 N279 L281 I285 N335F242-D246 PolarHBondContact O-N 3.23Å; V243-D246 PolarHBondContact O-N 3.1Å; D246-A248 VanDerWaalsContact C-N 3.33Å; D246-A248 PolarHBondContact O-N 2.89Å; D246-I249 PolarHBondContact O-N 3.47Å; D246-A250 VanDerWaalsContact O-CB 3.26Å; D246-A250 WeakPolarHBondContact O-CB 3.38Å; D246-A250 PolarHBondContact O-N 3.23Å; D246-N279 PolarHBondContact OD2-ND2 3.29Å; D246-N279 PolarHBondContact OD2-OD1 3.47Å; D246-L281 HydrophobicContact CB-CB 4.34Å; D246-L281 HydrophobicContact CB-CD2 3.8Å; D246-L281 HydrophobicContact CB-CG 4.01Å; D246-I285 HydrophobicContact CB-CD1 4.49Å; D246-N335 PolarHBondContact OD1-ND2 2.88Å
247V98.2Very high94.8Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-60.6-41.6171.6166.70000111.6Y219 L222 K223 V243 E245 T251 I285Y219-V247 HydrophobicContact CD2-CG1 3.99Å; Y219-V247 HydrophobicContact CE2-CG1 3.86Å; L222-V247 HydrophobicContact CB-CG1 3.77Å; K223-V247 HydrophobicContact CB-CG1 4.39Å; V243-V247 HydrophobicContact CG1-CG2 4.42Å; V243-V247 WeakPolarHBondContact O-CB 3.27Å; V243-V247 VanDerWaalsContact O-CG2 3.23Å; V243-V247 WeakPolarHBondContact O-CG2 3.39Å; V243-V247 PolarHBondContact O-N 3.14Å; E245-V247 VanDerWaalsContact C-N 3.34Å; E245-V247 PolarHBondContact O-N 3.09Å; V247-T251 WeakPolarHBondContact O-CB 3.14Å; V247-T251 PolarHBondContact O-N 2.9Å; V247-T251 PolarHBondContact O-OG1 3.2Å; V247-I285 HydrophobicContact CG2-CD1 3.85Å
248A98Very high95.5Very high1 Ų124.8 Ų24.81%0.00813%0.125CC..Hα-helixtrans-68.7-39.8177.900000112.2Y215 Y219 Y244 E245 D246 T251 Y252 I406Y215-A248 WeakPolarHBondContact OH-CB 3.35Å; Y219-A248 HydrophobicContact CD2-CB 4.18Å; Y219-A248 HydrophobicContact CE2-CB 3.76Å; Y244-A248 WeakPolarHBondContact O-CB 3.36Å; Y244-A248 PolarHBondContact O-N 2.97Å; Y244-A248 VanDerWaalsContact O-N 3.12Å; E245-A248 WeakPolarHBondContact O-CB 3.33Å; E245-A248 PolarHBondContact O-N 3.4Å; E245-A248 VanDerWaalsContact O-N 3.09Å; D246-A248 VanDerWaalsContact C-N 3.33Å; D246-A248 PolarHBondContact O-N 2.89Å; A248-T251 WeakPolarHBondContact O-CB 3.34Å; A248-T251 PolarHBondContact O-N 3.35Å; A248-Y252 PolarHBondContact O-N 2.59Å; A248-I406 HydrophobicContact CB-CG2 3.65Å
249I98.6Very high96.1Very high0 Ų023.2 Ų23.20%012%0.115CC..Hα-helixtrans-65.3-45.8175.1-63.5163.9000110.5E245 D246 T251 Y252 L253 L282 N335 F358 L360 L404 I406E245-I249 HydrophobicContact CG-CD1 4.1Å; E245-I249 WeakPolarHBondContact O-CG1 3.38Å; E245-I249 PolarHBondContact O-N 2.96Å; D246-I249 PolarHBondContact O-N 3.47Å; I249-T251 VanDerWaalsContact C-N 3.32Å; I249-T251 PolarHBondContact O-N 2.96Å; I249-Y252 WeakPolarHBondContact O-CB 3.46Å; I249-Y252 PolarHBondContact O-N 3.12Å; I249-Y252 VanDerWaalsContact O-N 3.13Å; I249-L253 HydrophobicContact CG2-CD1 4.21Å; I249-L253 PolarHBondContact O-N 3.38Å; I249-L282 HydrophobicContact CB-CD1 4.35Å; I249-L282 HydrophobicContact CG2-CD1 3.98Å; I249-L282 HydrophobicContact CG2-CD2 3.83Å; I249-N335 WeakPolarHBondContact CD1-OD1 3.47Å; I249-F358 HydrophobicContact CG2-CE1 4.27Å; I249-F358 HydrophobicContact CG2-CZ 4.4Å; I249-L360 HydrophobicContact CD1-CD2 3.73Å; I249-L360 HydrophobicContact CG1-CD2 4.18Å; I249-L404 HydrophobicContact CB-CD2 4.47Å; I249-L404 HydrophobicContact CG1-CD2 3.72Å; I249-I406 HydrophobicContact CG1-CG2 4.15Å
250A98.7Very high96.4Very high0 Ų022.4 Ų22.40%011%0.108CC..Hα-helixtrans-59.3-44175.300000111.4D246 Y252 L253 L254 L282 I285 L286D246-A250 VanDerWaalsContact O-CB 3.26Å; D246-A250 WeakPolarHBondContact O-CB 3.38Å; D246-A250 PolarHBondContact O-N 3.23Å; A250-Y252 VanDerWaalsContact C-N 3.31Å; A250-Y252 PolarHBondContact O-N 3.37Å; A250-L253 PolarHBondContact O-N 3.23Å; A250-L254 WeakPolarHBondContact O-CB 3.3Å; A250-L254 WeakPolarHBondContact O-CD1 3.41Å; A250-L254 WeakPolarHBondContact O-CG 3.39Å; A250-L254 PolarHBondContact O-N 3.27Å; A250-L282 HydrophobicContact CB-CD1 3.73Å; A250-I285 HydrophobicContact CB-CB 4.09Å; A250-I285 HydrophobicContact CB-CD1 4.38Å; A250-I285 HydrophobicContact CB-CG2 3.5Å; A250-L286 HydrophobicContact CB-CD2 4.15Å
251T98.7Very high96.7Very high0 Ų019.2 Ų19.20%09%0.091CC..Hα-helixtrans-56.1-47.6174.4-55.80000111Y215 T218 Y219 L222 V247 A248 I249 L253 L254 V255Y215-T251 HydrophobicContact CD1-CG2 4.45Å; Y215-T251 HydrophobicContact CD2-CG2 3.52Å; Y215-T251 HydrophobicContact CE1-CG2 4.49Å; Y215-T251 HydrophobicContact CE2-CG2 3.59Å; Y215-T251 HydrophobicContact CG-CG2 3.98Å; Y215-T251 VanDerWaalsContact O-CG2 3.31Å; Y215-T251 WeakPolarHBondContact O-CG2 3.23Å; T218-T251 HydrophobicContact CG2-CG2 3.91Å; Y219-T251 WeakPolarHBondContact CA-OG1 3.43Å; L222-T251 WeakPolarHBondContact CD1-OG1 3.27Å; V247-T251 WeakPolarHBondContact O-CB 3.14Å; V247-T251 PolarHBondContact O-N 2.9Å; V247-T251 PolarHBondContact O-OG1 3.2Å; A248-T251 WeakPolarHBondContact O-CB 3.34Å; A248-T251 PolarHBondContact O-N 3.35Å; I249-T251 VanDerWaalsContact C-N 3.32Å; I249-T251 PolarHBondContact O-N 2.96Å; T251-L253 PolarHBondContact O-N 3.24Å; T251-L254 PolarHBondContact O-N 2.73Å; T251-V255 WeakPolarHBondContact O-CG2 3.44Å; T251-V255 PolarHBondContact O-N 2.95Å
252Y98.8Very high97.1Very high0 Ų018.4 Ų18.40%010%0.101CC..Hα-helixtrans-57.4-51.5-179.6-172.9-83.5000111L207 L210 A248 I249 A250 V255 L256 F358 D402 L404 V415L207-Y252 HydrophobicContact CD2-CD2 3.63Å; L207-Y252 HydrophobicContact CD2-CE2 3.9Å; L210-Y252 HydrophobicContact CD1-CD1 4.16Å; L210-Y252 HydrophobicContact CD1-CD2 3.25Å; L210-Y252 HydrophobicContact CD1-CE1 4.27Å; L210-Y252 HydrophobicContact CD1-CE2 3.38Å; L210-Y252 HydrophobicContact CD1-CG 3.66Å; L210-Y252 WeakPolarHBondContact CD1-O 3.39Å; L210-Y252 HydrophobicContact CG-CD2 4.21Å; L210-Y252 HydrophobicContact CG-CE2 3.81Å; A248-Y252 PolarHBondContact O-N 2.59Å; I249-Y252 WeakPolarHBondContact O-CB 3.46Å; I249-Y252 PolarHBondContact O-N 3.12Å; I249-Y252 VanDerWaalsContact O-N 3.13Å; A250-Y252 VanDerWaalsContact C-N 3.31Å; A250-Y252 PolarHBondContact O-N 3.37Å; Y252-V255 PolarHBondContact O-N 3.44Å; Y252-L256 HydrophobicContact CE1-CD2 4.25Å; Y252-L256 VanDerWaalsContact O-CB 3.27Å; Y252-L256 WeakPolarHBondContact O-CB 3.1Å; Y252-L256 PolarHBondContact O-N 3.38Å; Y252-F358 HydrophobicContact CD1-CD2 4.42Å; Y252-F358 AromaticContact CD1-CE2 3.85Å; Y252-F358 HydrophobicContact CD1-CE2 3.85Å; Y252-F358 HydrophobicContact CE1-CD2 4.34Å; Y252-F358 AromaticContact CE1-CE2 3.91Å; Y252-F358 HydrophobicContact CE1-CE2 3.91Å; Y252-D402 HydrophobicContact CE2-CB 4.45Å; Y252-D402 VanDerWaalsContact CE2-OD2 3.27Å; Y252-D402 WeakPolarHBondContact CE2-OD2 3.49Å; Y252-D402 WeakPolarHBondContact OH-CB 3.47Å; Y252-D402 PolarHBondContact OH-OD2 3.2Å; Y252-L404 HydrophobicContact CD2-CG 4.16Å; Y252-L404 HydrophobicContact CG-CG 4.38Å; Y252-V415 HydrophobicContact CE1-CG2 4.49Å
253L98.8Very high97.3Very high0 Ų019.6 Ų19.60%012%0.122CC..Hα-helixtrans-63.2-44.8-179.9-69.7169.7000112.4I249 A250 T251 V255 L256 W257 L282 L286 I333 F358I249-L253 HydrophobicContact CG2-CD1 4.21Å; I249-L253 PolarHBondContact O-N 3.38Å; A250-L253 PolarHBondContact O-N 3.23Å; T251-L253 PolarHBondContact O-N 3.24Å; L253-V255 VanDerWaalsContact C-N 3.34Å; L253-V255 PolarHBondContact O-N 3.31Å; L253-L256 WeakPolarHBondContact O-CB 3.45Å; L253-L256 PolarHBondContact O-N 2.95Å; L253-W257 HydrophobicContact CB-CD2 4.46Å; L253-W257 HydrophobicContact CB-CH2 4.49Å; L253-W257 HydrophobicContact CB-CZ2 4.37Å; L253-W257 HydrophobicContact CD2-CZ2 4.36Å; L253-W257 VanDerWaalsContact O-CB 3.26Å; L253-W257 WeakPolarHBondContact O-CB 3.22Å; L253-W257 PolarHBondContact O-N 3.47Å; L253-L282 HydrophobicContact CD1-CD1 4.31Å; L253-L282 HydrophobicContact CD1-CD2 4.4Å; L253-L286 HydrophobicContact CB-CD2 4.32Å; L253-L286 HydrophobicContact CD1-CD1 3.98Å; L253-I333 HydrophobicContact CD1-CD1 3.7Å; L253-I333 HydrophobicContact CD1-CG1 4.38Å; L253-F358 HydrophobicContact CD2-CB 3.88Å; L253-F358 HydrophobicContact CD2-CD1 4.27Å; L253-F358 HydrophobicContact CD2-CD2 3.76Å; L253-F358 HydrophobicContact CD2-CE2 4.36Å; L253-F358 HydrophobicContact CD2-CG 3.71Å
254L98.7Very high97.2Very high17 Ų1724 Ų249%0.08914%0.141CC..Hα-helixtrans-63.3-40.1-179.3-70165.5000112.4L222 A250 T251 W257 A258 L286 E289 H291L222-L254 HydrophobicContact CD1-CD1 3.77Å; A250-L254 WeakPolarHBondContact O-CB 3.3Å; A250-L254 WeakPolarHBondContact O-CD1 3.41Å; A250-L254 WeakPolarHBondContact O-CG 3.39Å; A250-L254 PolarHBondContact O-N 3.27Å; T251-L254 PolarHBondContact O-N 2.73Å; L254-W257 HydrophobicContact CD2-CE3 4.43Å; L254-A258 WeakPolarHBondContact O-CB 3.35Å; L254-A258 PolarHBondContact O-N 3.26Å; L254-L286 HydrophobicContact CD1-CD2 4.34Å; L254-L286 HydrophobicContact CD2-CD2 3.97Å; L254-L286 HydrophobicContact CG-CD2 3.84Å; L254-E289 HydrophobicContact CD1-CB 4.04Å; L254-E289 HydrophobicContact CD1-CG 3.79Å; L254-E289 HydrophobicContact CD2-CB 3.99Å; L254-H291 WeakPolarHBondContact CD2-CD2 3.11Å; L254-H291 WeakPolarHBondContact CD2-NE2 3.32Å
255V98.5Very high97.2Very high5 Ų527.2 Ų27.23%0.0317%0.169CC..Hα-helixtrans-71.4-43.8175.71760000110.5L210 K214 T218 T251 Y252 L253 W257 A258 E259L210-V255 HydrophobicContact CB-CG1 4.35Å; L210-V255 HydrophobicContact CD1-CB 4.3Å; L210-V255 HydrophobicContact CD1-CG1 4.36Å; L210-V255 HydrophobicContact CD2-CG1 4.24Å; K214-V255 HydrophobicContact CB-CG1 3.99Å; K214-V255 HydrophobicContact CB-CG2 4.49Å; T218-V255 HydrophobicContact CG2-CG2 4.37Å; T251-V255 WeakPolarHBondContact O-CG2 3.44Å; T251-V255 PolarHBondContact O-N 2.95Å; Y252-V255 PolarHBondContact O-N 3.44Å; L253-V255 VanDerWaalsContact C-N 3.34Å; L253-V255 PolarHBondContact O-N 3.31Å; V255-W257 VanDerWaalsContact C-N 3.28Å; V255-W257 PolarHBondContact O-N 2.96Å; V255-A258 PolarHBondContact O-N 3.38Å; V255-E259 HydrophobicContact CG1-CG 4.48Å; V255-E259 WeakPolarHBondContact O-CG 3.4Å; V255-E259 PolarHBondContact O-N 3.46Å
256L98.2Very high97.1Very high7 Ų730.7 Ų30.74%0.03719%0.188CC..Hα-helixtrans-54.2-47.1175-178.266.8000111.5L210 Y252 L253 E259 E260 W331 V415L210-L256 HydrophobicContact CD2-CB 3.79Å; L210-L256 HydrophobicContact CD2-CD1 3.87Å; L210-L256 HydrophobicContact CD2-CG 4.46Å; Y252-L256 HydrophobicContact CE1-CD2 4.25Å; Y252-L256 VanDerWaalsContact O-CB 3.27Å; Y252-L256 WeakPolarHBondContact O-CB 3.1Å; Y252-L256 PolarHBondContact O-N 3.38Å; L253-L256 WeakPolarHBondContact O-CB 3.45Å; L253-L256 PolarHBondContact O-N 2.95Å; L256-E259 PolarHBondContact O-N 2.9Å; L256-E260 WeakPolarHBondContact O-CB 3.37Å; L256-E260 PolarHBondContact O-N 2.69Å; L256-W331 HydrophobicContact CD2-CH2 3.82Å; L256-W331 HydrophobicContact CD2-CZ3 4.21Å; L256-V415 HydrophobicContact CD2-CG1 3.89Å; L256-V415 HydrophobicContact CD2-CG2 4.49Å
257W98.1Very high96.9Very high0 Ų036.2 Ų36.20%022%0.222CC..Hα-helixtrans-68.8-37.1179.2-68.9-17000112.7L253 L254 V255 E260 R261 Q270 F272 L286 H291 W331 I333L253-W257 HydrophobicContact CB-CD2 4.46Å; L253-W257 HydrophobicContact CB-CH2 4.49Å; L253-W257 HydrophobicContact CB-CZ2 4.37Å; L253-W257 HydrophobicContact CD2-CZ2 4.36Å; L253-W257 VanDerWaalsContact O-CB 3.26Å; L253-W257 WeakPolarHBondContact O-CB 3.22Å; L253-W257 PolarHBondContact O-N 3.47Å; L254-W257 HydrophobicContact CD2-CE3 4.43Å; V255-W257 VanDerWaalsContact C-N 3.28Å; V255-W257 PolarHBondContact O-N 2.96Å; W257-E260 PolarHBondContact O-N 2.9Å; W257-R261 WeakPolarHBondContact O-CG 3.28Å; W257-R261 PolarHBondContact O-N 3.26Å; W257-Q270 HydrophobicContact CB-CG 4.16Å; W257-Q270 HydrophobicContact CD2-CB 3.9Å; W257-Q270 HydrophobicContact CD2-CG 4.27Å; W257-Q270 HydrophobicContact CE3-CB 4.22Å; W257-Q270 HydrophobicContact CG-CB 4.05Å; W257-Q270 HydrophobicContact CG-CG 3.88Å; W257-F272 HydrophobicContact CH2-CB 3.88Å; W257-F272 AromaticContact CH2-CD1 3.89Å; W257-F272 HydrophobicContact CH2-CD1 3.89Å; W257-F272 AromaticContact CH2-CG 3.97Å; W257-F272 HydrophobicContact CH2-CG 3.97Å; W257-F272 HydrophobicContact CZ2-CB 4.21Å; W257-F272 HydrophobicContact CZ3-CD1 4.33Å; W257-L286 HydrophobicContact CH2-CD1 4Å; W257-L286 HydrophobicContact CH2-CD2 4.39Å; W257-L286 HydrophobicContact CZ3-CD1 4.3Å; W257-L286 HydrophobicContact CZ3-CD2 3.91Å; W257-H291 AromaticContact CE3-CE1 3.35Å; W257-H291 AromaticContact CE3-CG 3.89Å; W257-H291 AromaticContact CE3-ND1 3.39Å; W257-H291 AromaticContact CE3-NE2 3.84Å; W257-H291 HydrophobicContact CZ3-CB 4.11Å; W257-H291 AromaticContact CZ3-CE1 3.96Å; W257-H291 AromaticContact CZ3-CG 3.7Å; W257-H291 AromaticContact CZ3-ND1 3.53Å; W257-W331 AromaticContact CD1-CE2 3.54Å; W257-W331 AromaticContact CD1-CZ2 3.79Å; W257-W331 AromaticContact CD1-NE1 3.55Å; W257-W331 AromaticContact CE2-CD1 3.95Å; W257-W331 AromaticContact CE2-CG 3.91Å; W257-W331 HydrophobicContact CZ2-CB 3.95Å; W257-W331 HydrophobicContact CZ2-CD2 4.41Å; W257-W331 AromaticContact CZ2-CG 3.94Å; W257-W331 HydrophobicContact CZ2-CG 3.94Å; W257-W331 AromaticContact NE1-CD1 3.43Å; W257-W331 AromaticContact NE1-CD2 3.22Å; W257-W331 AromaticContact NE1-CE2 3.15Å; W257-W331 AromaticContact NE1-CE3 3.84Å; W257-W331 AromaticContact NE1-CG 3.44Å; W257-W331 AromaticContact NE1-CZ2 3.72Å; W257-W331 AromaticContact NE1-NE1 3.29Å; W257-I333 HydrophobicContact CH2-CD1 4.12Å; W257-I333 HydrophobicContact CZ2-CD1 4.17Å
258A97.8Very high96.7Very high33 Ų3341.9 Ų41.927%0.27325%0.253SS..Hα-helixtrans-63.2-43.2173.200000112L254 V255 R261 A262L254-A258 WeakPolarHBondContact O-CB 3.35Å; L254-A258 PolarHBondContact O-N 3.26Å; V255-A258 PolarHBondContact O-N 3.38Å; A258-R261 PolarHBondContact O-N 2.7Å; A258-A262 PolarHBondContact O-N 3.24Å
259E97Very high96.7Very high55 Ų5544.6 Ų44.626%0.25727%0.27SS..Hα-helixtrans-65.8-39.8175.1-62.2-47.596.700111.5P211 K214 V255 L256 A262 A263P211-E259 HydrophobicContact CG-CG 4.28Å; K214-E259 VanDerWaalsContact CD-OE1 3.23Å; K214-E259 WeakPolarHBondContact CD-OE1 3.36Å; K214-E259 WeakPolarHBondContact CE-OE1 3.39Å; K214-E259 IonicContact NZ-OE1 3.71Å; K214-E259 PolarHBondContact NZ-OE1 3.28Å; K214-E259 IonicContact NZ-OE2 2.86Å; K214-E259 PolarHBondContact NZ-OE2 2.91Å; V255-E259 HydrophobicContact CG1-CG 4.48Å; V255-E259 WeakPolarHBondContact O-CG 3.4Å; V255-E259 PolarHBondContact O-N 3.46Å; L256-E259 PolarHBondContact O-N 2.9Å; E259-A262 PolarHBondContact O-N 3.18Å; E259-A263 WeakPolarHBondContact O-CB 3.31Å; E259-A263 PolarHBondContact O-N 2.88Å
260E95Very high96.6Very high21 Ų2144.9 Ų44.910%0.09827%0.271CS..Hα-helixtrans-60-46.6174173.9171.695.300111.8L256 W257 A262 A263 K264 Q270 W331 R356L256-E260 WeakPolarHBondContact O-CB 3.37Å; L256-E260 PolarHBondContact O-N 2.69Å; W257-E260 PolarHBondContact O-N 2.9Å; E260-A262 VanDerWaalsContact C-N 3.34Å; E260-A262 PolarHBondContact O-N 3.34Å; E260-A263 PolarHBondContact O-N 2.98Å; E260-K264 HydrophobicContact CG-CD 3.84Å; E260-K264 WeakPolarHBondContact O-CB 3.34Å; E260-K264 PolarHBondContact O-N 3.26Å; E260-K264 IonicContact OE2-NZ 3.93Å; E260-K264 PolarHBondContact OE2-NZ 2.73Å; E260-Q270 PolarHBondContact OE1-NE2 3.2Å; E260-W331 PolarHBondContact OE1-NE1 2.79Å; E260-R356 IonicContact OE1-NH1 2.7Å; E260-R356 VanDerWaalsContact OE2-CD 3.28Å; E260-R356 WeakPolarHBondContact OE2-CD 3.5Å; E260-R356 IonicContact OE2-CZ 2.92Å; E260-R356 IonicContact OE2-NE 3.12Å; E260-R356 PolarHBondContact OE2-NE 2.8Å
261R96.3Very high96.6Very high55 Ų5545.8 Ų45.821%0.20828%0.278CS..Hα-helixtrans-60.2-45.2177.7-74.7-166.8-54.6-88.75.1111.4W257 A258 K264 S265 L266 D268 H291W257-R261 WeakPolarHBondContact O-CG 3.28Å; W257-R261 PolarHBondContact O-N 3.26Å; A258-R261 PolarHBondContact O-N 2.7Å; R261-K264 PolarHBondContact O-N 3.07Å; R261-S265 CarbonylContact O-C 3.57Å; R261-S265 WeakPolarHBondContact O-CA 3.21Å; R261-S265 PolarHBondContact O-N 2.78Å; R261-L266 HydrophobicContact CB-CB 4.25Å; R261-L266 HydrophobicContact CG-CB 4.06Å; R261-L266 PolarHBondContact O-N 2.67Å; R261-D268 WeakPolarHBondContact CD-O 3.45Å; R261-H291 PolarHBondContact NH1-CE1 2.91Å
262A96.3Very high96.6Very high71 Ų7145.9 Ų45.959%0.58728%0.278SS*.Hα-helixtrans-61.2-46.7177.300000111.6A258 E259 E260 K264 S265A258-A262 PolarHBondContact O-N 3.24Å; E259-A262 PolarHBondContact O-N 3.18Å; E260-A262 VanDerWaalsContact C-N 3.34Å; E260-A262 PolarHBondContact O-N 3.34Å; A262-K264 VanDerWaalsContact C-N 3.34Å; A262-K264 PolarHBondContact O-N 2.97Å; A262-S265 PolarHBondContact O-N 3.45Å
263A94.8Very high96.6Very high87 Ų8746 Ų4672%0.71928%0.279SS*.Hα-helixtrans-65.6-35-179.500000113.2E259 E260E259-A263 WeakPolarHBondContact O-CB 3.31Å; E259-A263 PolarHBondContact O-N 2.88Å; E260-A263 PolarHBondContact O-N 2.98Å
264K92.9Very high96.6Very high92 Ų9246 Ų4640%0.428%0.279SS..Hα-helixtrans-97.53.5-178.4-66.5177.1-176.9164.70113.9E260 R261 A262 L266E260-K264 HydrophobicContact CG-CD 3.84Å; E260-K264 WeakPolarHBondContact O-CB 3.34Å; E260-K264 PolarHBondContact O-N 3.26Å; E260-K264 IonicContact OE2-NZ 3.93Å; E260-K264 PolarHBondContact OE2-NZ 2.73Å; R261-K264 PolarHBondContact O-N 3.07Å; A262-K264 VanDerWaalsContact C-N 3.34Å; A262-K264 PolarHBondContact O-N 2.97Å; K264-L266 VanDerWaalsContact C-N 3.25Å; K264-L266 HydrophobicContact CB-CD1 3.86Å; K264-L266 HydrophobicContact CB-CD2 4.45Å; K264-L266 HydrophobicContact CB-CG 3.71Å; K264-L266 HydrophobicContact CD-CD1 4.12Å; K264-L266 PolarHBondContact O-N 2.8Å
265S95.2Very high96.5Very high110 Ų11045.2 Ų45.277%0.76928%0.275SS*.THydrogen-bonded Turntrans52.740.5-174.3-570000113.6R261 A262R261-S265 CarbonylContact O-C 3.57Å; R261-S265 WeakPolarHBondContact O-CA 3.21Å; R261-S265 PolarHBondContact O-N 2.78Å; A262-S265 PolarHBondContact O-N 3.45Å
266L93.8Very high96.4Very high84 Ų8445.6 Ų45.644%0.4428%0.279SS..  trans-91.6140.1178-57.3171.9000110.6R261 K264R261-L266 HydrophobicContact CB-CB 4.25Å; R261-L266 HydrophobicContact CG-CB 4.06Å; R261-L266 PolarHBondContact O-N 2.67Å; K264-L266 VanDerWaalsContact C-N 3.25Å; K264-L266 HydrophobicContact CB-CD1 3.86Å; K264-L266 HydrophobicContact CB-CD2 4.45Å; K264-L266 HydrophobicContact CB-CG 3.71Å; K264-L266 HydrophobicContact CD-CD1 4.12Å; K264-L266 PolarHBondContact O-N 2.8Å
267T92.8Very high96.3Very high122 Ų12245.7 Ų45.775%0.74828%0.281SS*.  trans-95.2-34.3176.151.10000112.6
268D94.9Very high96.1Very high120 Ų12046.5 Ų46.564%0.64229%0.289SS*.SBendtrans-82.3141.3-168.3-59.8-19.2000111.7R261R261-D268 WeakPolarHBondContact CD-O 3.45Å
269P96.4Very high95.9Very high58 Ų5846.2 Ų46.238%0.37728%0.283SS..PPolyproline II helixtrans-63.2136.1173.4-2132.6000112S271P269-S271 PolarHBondContact O-N 3.42Å
270Q97.2Very high95.9Very high5 Ų543.6 Ų43.62%0.02327%0.27CS..PPolyproline II helixtrans-55.9133175.7-79.663.33100111.2W257 E260 H291W257-Q270 HydrophobicContact CB-CG 4.16Å; W257-Q270 HydrophobicContact CD2-CB 3.9Å; W257-Q270 HydrophobicContact CD2-CG 4.27Å; W257-Q270 HydrophobicContact CE3-CB 4.22Å; W257-Q270 HydrophobicContact CG-CB 4.05Å; W257-Q270 HydrophobicContact CG-CG 3.88Å; E260-Q270 PolarHBondContact OE1-NE2 3.2Å; Q270-H291 PolarHBondContact N-ND1 3.36Å; Q270-H291 PolarHBondContact O-ND1 3.04Å
271S98.2Very high96Very high20 Ų2042.6 Ų42.614%0.1427%0.266CS..PPolyproline II helixtrans-82.9149.4169.562.20000112P269 P292 T329 D330 W331P269-S271 PolarHBondContact O-N 3.42Å; S271-P292 CarbonylContact C-O 3.6Å; S271-P292 WeakPolarHBondContact CA-O 3.25Å; S271-T329 WeakPolarHBondContact OG-CA 3.31Å; S271-D330 PolarHBondContact N-OD2 3.2Å; S271-D330 WeakPolarHBondContact O-CB 3.43Å; S271-D330 PolarHBondContact O-N 3.47Å; S271-D330 PolarHBondContact OG-N 2.89Å; S271-D330 PolarHBondContact OG-OD2 3.5Å; S271-W331 PolarHBondContact O-N 3.43Å
272F98.8Very high96.1Very high2 Ų240 Ų401%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-146157.7-179.174.6-85.3000115.3W257 V283 L286 T287 H291 P292 G293 R294 W331 I333W257-F272 HydrophobicContact CH2-CB 3.88Å; W257-F272 AromaticContact CH2-CD1 3.89Å; W257-F272 HydrophobicContact CH2-CD1 3.89Å; W257-F272 AromaticContact CH2-CG 3.97Å; W257-F272 HydrophobicContact CH2-CG 3.97Å; W257-F272 HydrophobicContact CZ2-CB 4.21Å; W257-F272 HydrophobicContact CZ3-CD1 4.33Å; F272-V283 HydrophobicContact CE2-CB 4.38Å; F272-V283 HydrophobicContact CE2-CG1 4.13Å; F272-V283 HydrophobicContact CE2-CG2 4.26Å; F272-V283 HydrophobicContact CZ-CG1 4.17Å; F272-L286 HydrophobicContact CD1-CB 4.4Å; F272-L286 HydrophobicContact CD1-CD1 4.46Å; F272-L286 HydrophobicContact CD2-CD1 4.26Å; F272-L286 HydrophobicContact CE1-CB 3.52Å; F272-L286 HydrophobicContact CE1-CD1 4.19Å; F272-L286 HydrophobicContact CE2-CB 4.36Å; F272-L286 HydrophobicContact CE2-CD1 3.96Å; F272-L286 HydrophobicContact CG-CD1 4.5Å; F272-L286 HydrophobicContact CZ-CB 3.5Å; F272-L286 VanDerWaalsContact CZ-CB 3.5Å; F272-L286 HydrophobicContact CZ-CD1 3.93Å; F272-L286 HydrophobicContact CZ-CG 4.36Å; F272-T287 HydrophobicContact CE1-CG2 4.31Å; F272-T287 HydrophobicContact CZ-CG2 4.02Å; F272-H291 HydrophobicContact CD1-CB 4.12Å; F272-H291 HydrophobicContact CE1-CB 3.97Å; F272-P292 WeakPolarHBondContact CD1-O 3.19Å; F272-P292 PolarHBondContact N-O 3.4Å; F272-G293 WeakPolarHBondContact O-CA 3.36Å; F272-R294 PolarHBondContact O-N 2.66Å; F272-W331 CarbonylContact C-O 3.57Å; F272-W331 WeakPolarHBondContact CA-O 3.41Å; F272-W331 HydrophobicContact CB-CB 4.2Å; F272-I333 HydrophobicContact CB-CD1 4.04Å; F272-I333 HydrophobicContact CD2-CD1 3.74Å; F272-I333 HydrophobicContact CG-CD1 4.06Å
273V98.7Very high96.2Very high2 Ų236.6 Ų36.61%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-130.4126.2165176.50000109.2L275 R294 I296 F326 T329 W331 L332 I333V273-L275 HydrophobicContact CG1-CD2 3.71Å; V273-L275 HydrophobicContact CG1-CG 4.26Å; V273-R294 WeakPolarHBondContact CA-O 3.38Å; V273-R294 HydrophobicContact CG2-CG 4.09Å; V273-I296 HydrophobicContact CG1-CD1 4.11Å; V273-I296 HydrophobicContact CG1-CG1 4.37Å; V273-F326 HydrophobicContact CB-CD1 4.41Å; V273-F326 HydrophobicContact CB-CE1 4.5Å; V273-F326 HydrophobicContact CG1-CD1 4.32Å; V273-F326 HydrophobicContact CG1-CE1 3.92Å; V273-F326 HydrophobicContact CG1-CE2 4.42Å; V273-F326 HydrophobicContact CG1-CZ 3.98Å; V273-F326 HydrophobicContact CG2-CD1 3.81Å; V273-F326 HydrophobicContact CG2-CE1 4.16Å; V273-F326 HydrophobicContact CG2-CG 4.25Å; V273-T329 HydrophobicContact CB-CG2 4.4Å; V273-T329 HydrophobicContact CG2-CG2 3.97Å; V273-W331 PolarHBondContact N-O 2.99Å; V273-L332 HydrophobicContact CB-CD2 3.88Å; V273-L332 WeakPolarHBondContact O-CA 3.46Å; V273-I333 PolarHBondContact O-N 3.24Å
274D98.6Very high96.4Very high1 Ų133.5 Ų33.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-98.3114.5175.8-170.913.5000110.5C277 V283 R294 G295 I296 I333D274-C277 HydrophobicContact CB-CB 3.96Å; D274-C277 WeakPolarHBondContact OD2-CB 3.47Å; D274-V283 HydrophobicContact CB-CG2 3.72Å; D274-R294 PolarHBondContact N-O 3.49Å; D274-G295 WeakPolarHBondContact O-CA 2.93Å; D274-I296 PolarHBondContact O-N 2.81Å; D274-I333 HydrophobicContact CB-CB 4.18Å; D274-I333 HydrophobicContact CB-CG2 4.46Å; D274-I333 WeakPolarHBondContact OD1-CG2 3.19Å
275L97.9Very high96.7Very high0 Ų029.1 Ų29.10%018%0.18CC..EExtended strand (participates in β ladder)trans-99115.3-173.9-63.7-179.8000110.2V273 I296 I318 F326 L332 I333 S337 I344 I347V273-L275 HydrophobicContact CG1-CD2 3.71Å; V273-L275 HydrophobicContact CG1-CG 4.26Å; L275-I296 HydrophobicContact CD2-CB 4.47Å; L275-I296 HydrophobicContact CD2-CD1 4.22Å; L275-I318 HydrophobicContact CB-CD1 4Å; L275-I318 HydrophobicContact CD2-CD1 3.85Å; L275-I318 HydrophobicContact CD2-CG1 4.42Å; L275-F326 HydrophobicContact CD1-CE2 4.22Å; L275-F326 HydrophobicContact CD2-CE2 3.93Å; L275-F326 HydrophobicContact CD2-CZ 3.84Å; L275-L332 HydrophobicContact CD1-CD1 4.28Å; L275-I333 PolarHBondContact N-O 3.38Å; L275-S337 WeakPolarHBondContact O-CB 3.46Å; L275-I344 HydrophobicContact CB-CD1 3.58Å; L275-I344 HydrophobicContact CD1-CD1 3.65Å; L275-I344 HydrophobicContact CG-CD1 4.19Å; L275-I347 HydrophobicContact CD1-CD1 3.88Å; L275-I347 HydrophobicContact CD1-CG2 4.33Å
276G95.6Very high96.8Very high12 Ų1223.9 Ų23.912%0.12414%0.143CC..THydrogen-bonded Turntrans79.243.1-168.100000111.8G278 I296 D297G276-G278 PolarHBondContact O-N 2.92Å; G276-G278 VanDerWaalsContact O-N 3.1Å; G276-I296 WeakPolarHBondContact CA-O 3.09Å; G276-I296 PolarHBondContact N-O 2.9Å; G276-D297 WeakPolarHBondContact CA-OD2 3.35Å
277C96.4Very high97Very high10 Ų1020.6 Ų20.67%0.06813%0.126CC..  trans-68-8.6-17069.90000114.7D274 N279 G280 V283 G295 I296 D297D274-C277 HydrophobicContact CB-CB 3.96Å; D274-C277 WeakPolarHBondContact OD2-CB 3.47Å; C277-N279 PolarHBondContact O-N 3.08Å; C277-G280 PolarHBondContact O-N 2.89Å; C277-V283 HydrophobicContact CB-CG2 3.98Å; C277-G295 VanDerWaalsContact SG-C 3.56Å; C277-I296 PolarHBondContact N-O 2.82Å; C277-D297 PolarHBondContact N-OD2 3.36Å
278G93.8Very high97.2Very high16 Ų1617 Ų1717%0.16510%0.102CC..THydrogen-bonded Turntrans54.5-109.5173.300000113.5G276 G280 D297 R301 W304G276-G278 PolarHBondContact O-N 2.92Å; G276-G278 VanDerWaalsContact O-N 3.1Å; G278-G280 PolarHBondContact O-N 3Å; G278-D297 VanDerWaalsContact CA-OD2 3.26Å; G278-D297 WeakPolarHBondContact CA-OD2 3.42Å; G278-D297 PolarHBondContact N-OD2 3.46Å; G278-R301 WeakPolarHBondContact O-CG 3.41Å; G278-W304 PolarHBondContact O-NE1 3.49Å
279N93.9Very high97.3Very high27 Ų2713.2 Ų13.214%0.1448%0.081CC..THydrogen-bonded Turntrans-68.1-18.8-179.471.931.4000112.9W233 D246 C277 L281 I303 W304 Y307W233-N279 HydrophobicContact CH2-CB 4.42Å; D246-N279 PolarHBondContact OD2-ND2 3.29Å; D246-N279 PolarHBondContact OD2-OD1 3.47Å; C277-N279 PolarHBondContact O-N 3.08Å; N279-L281 PolarHBondContact O-N 3.47Å; N279-L281 WeakPolarHBondContact OD1-CB 3.39Å; N279-L281 PolarHBondContact OD1-N 3.47Å; N279-I303 HydrophobicContact CB-CG2 4.13Å; N279-I303 WeakPolarHBondContact O-CG2 3.17Å; N279-W304 PolarHBondContact O-NE1 3.32Å; N279-Y307 WeakPolarHBondContact O-CE2 3.44Å; N279-Y307 PolarHBondContact O-OH 2.93Å
280G96.8Very high97.3Very high0 Ų012.7 Ų12.70%09%0.086CC..  trans74.82.3179.400000115.5C277 G278 L282 V283 H284C277-G280 PolarHBondContact O-N 2.89Å; G278-G280 PolarHBondContact O-N 3Å; G280-L282 PolarHBondContact O-N 2.63Å; G280-V283 PolarHBondContact O-N 2.78Å; G280-H284 PolarHBondContact O-N 3.06Å
281L97.4Very high97.4Very high0 Ų012.9 Ų12.90%09%0.087CC..Hα-helixtrans-65.2-39.8-178.917861.2000111.9M229 W233 V243 D246 N279 V283 H284 I285 Y307M229-L281 HydrophobicContact CE-CD1 3.38Å; M229-L281 HydrophobicContact CG-CD1 4.19Å; M229-L281 HydrophobicContact SD-CD1 4.2Å; W233-L281 HydrophobicContact CH2-CD2 4.21Å; W233-L281 HydrophobicContact CZ3-CD2 3.91Å; V243-L281 HydrophobicContact CB-CD2 4.26Å; V243-L281 HydrophobicContact CG1-CD2 4.31Å; V243-L281 HydrophobicContact CG2-CD2 4.13Å; D246-L281 HydrophobicContact CB-CB 4.34Å; D246-L281 HydrophobicContact CB-CD2 3.8Å; D246-L281 HydrophobicContact CB-CG 4.01Å; N279-L281 PolarHBondContact O-N 3.47Å; N279-L281 WeakPolarHBondContact OD1-CB 3.39Å; N279-L281 PolarHBondContact OD1-N 3.47Å; L281-V283 VanDerWaalsContact C-N 3.34Å; L281-V283 PolarHBondContact O-N 3.12Å; L281-H284 WeakPolarHBondContact O-CB 3.48Å; L281-H284 PolarHBondContact O-N 2.96Å; L281-I285 HydrophobicContact CD1-CD1 4.04Å; L281-I285 HydrophobicContact CD1-CG1 4.07Å; L281-I285 HydrophobicContact CD2-CD1 4.45Å; L281-I285 HydrophobicContact CG-CD1 3.87Å; L281-I285 HydrophobicContact CG-CG1 4.36Å; L281-I285 VanDerWaalsContact O-CG1 3.3Å; L281-I285 WeakPolarHBondContact O-CG1 3.5Å; L281-I285 PolarHBondContact O-N 3.45Å; L281-Y307 VanDerWaalsContact CA-OH 3.31Å; L281-Y307 WeakPolarHBondContact CA-OH 3.37Å; L281-Y307 WeakPolarHBondContact CB-OH 3.46Å; L281-Y307 HydrophobicContact CD1-CE1 4.42Å; L281-Y307 PolarHBondContact N-OH 2.85Å
282L98.4Very high97.4Very high1 Ų115.4 Ų15.41%0.00510%0.103CC..Hα-helixtrans-58-48.1175.817957.8000111.1I249 A250 L253 G280 H284 I285 L286 I333 N335I249-L282 HydrophobicContact CB-CD1 4.35Å; I249-L282 HydrophobicContact CG2-CD1 3.98Å; I249-L282 HydrophobicContact CG2-CD2 3.83Å; A250-L282 HydrophobicContact CB-CD1 3.73Å; L253-L282 HydrophobicContact CD1-CD1 4.31Å; L253-L282 HydrophobicContact CD1-CD2 4.4Å; G280-L282 PolarHBondContact O-N 2.63Å; L282-H284 VanDerWaalsContact C-N 3.35Å; L282-H284 PolarHBondContact O-N 3.06Å; L282-I285 PolarHBondContact O-N 3.33Å; L282-L286 HydrophobicContact CD1-CD1 3.92Å; L282-L286 HydrophobicContact CD1-CG 4.08Å; L282-L286 HydrophobicContact CG-CD1 3.99Å; L282-L286 WeakPolarHBondContact O-CG 3.33Å; L282-L286 PolarHBondContact O-N 2.86Å; L282-I333 HydrophobicContact CD2-CG2 3.99Å; L282-N335 HydrophobicContact CD2-CB 3.83Å
283V98.6Very high97.3Very high0 Ų016.1 Ų16.10%011%0.111CC..Hα-helixtrans-59.5-46176-177.90000110.8F272 D274 C277 G280 L281 I285 L286 T287 T311 L313F272-V283 HydrophobicContact CE2-CB 4.38Å; F272-V283 HydrophobicContact CE2-CG1 4.13Å; F272-V283 HydrophobicContact CE2-CG2 4.26Å; F272-V283 HydrophobicContact CZ-CG1 4.17Å; D274-V283 HydrophobicContact CB-CG2 3.72Å; C277-V283 HydrophobicContact CB-CG2 3.98Å; G280-V283 PolarHBondContact O-N 2.78Å; L281-V283 VanDerWaalsContact C-N 3.34Å; L281-V283 PolarHBondContact O-N 3.12Å; V283-I285 VanDerWaalsContact C-N 3.34Å; V283-I285 PolarHBondContact O-N 2.78Å; V283-L286 PolarHBondContact O-N 3.3Å; V283-T287 HydrophobicContact CG1-CG2 4.28Å; V283-T287 WeakPolarHBondContact O-CB 3.49Å; V283-T287 WeakPolarHBondContact O-CG2 3.31Å; V283-T287 PolarHBondContact O-N 3.09Å; V283-T287 PolarHBondContact O-OG1 3.33Å; V283-T311 HydrophobicContact CG1-CG2 4.36Å; V283-L313 HydrophobicContact CB-CD2 3.98Å; V283-L313 HydrophobicContact CG1-CD2 3.99Å; V283-L313 HydrophobicContact CG2-CD2 4.08Å
284H98.1Very high97.3Very high22 Ų2219.8 Ų19.810%0.10212%0.124CC..Hα-helixtrans-57.7-44.2176.8-18073.7000112.7G280 L281 L282 T287 N288 Y307 T311G280-H284 PolarHBondContact O-N 3.06Å; L281-H284 WeakPolarHBondContact O-CB 3.48Å; L281-H284 PolarHBondContact O-N 2.96Å; L282-H284 VanDerWaalsContact C-N 3.35Å; L282-H284 PolarHBondContact O-N 3.06Å; H284-T287 PolarHBondContact O-OG1 3.09Å; H284-T287 VanDerWaalsContact O-OG1 3.11Å; H284-N288 PolarHBondContact CE1-ND2 2.95Å; H284-N288 PolarHBondContact ND1-ND2 3.05Å; H284-N288 PolarHBondContact NE2-ND2 2.97Å; H284-N288 VanDerWaalsContact NE2-ND2 3.13Å; H284-N288 VanDerWaalsContact O-CB 3.29Å; H284-N288 WeakPolarHBondContact O-CB 3.35Å; H284-N288 VanDerWaalsContact O-CG 3.32Å; H284-N288 PolarHBondContact O-N 2.93Å; H284-N288 VanDerWaalsContact O-N 3.15Å; H284-N288 PolarHBondContact O-ND2 3.44Å; H284-Y307 HydrophobicContact CB-CD1 3.96Å; H284-Y307 HydrophobicContact CB-CD2 4.45Å; H284-Y307 HydrophobicContact CB-CE1 3.96Å; H284-Y307 HydrophobicContact CB-CE2 4.44Å; H284-Y307 HydrophobicContact CB-CG 4.22Å; H284-Y307 AromaticContact CD2-CD1 3.91Å; H284-Y307 AromaticContact CD2-CE1 3.98Å; H284-Y307 AromaticContact CE1-CD1 3.68Å; H284-Y307 AromaticContact CG-CD1 3.48Å; H284-Y307 VanDerWaalsContact CG-CD1 3.48Å; H284-Y307 AromaticContact CG-CE1 3.76Å; H284-Y307 AromaticContact ND1-CD1 3.36Å; H284-Y307 WeakPolarHBondContact ND1-CD1 3.32Å; H284-Y307 AromaticContact ND1-CG 3.69Å; H284-T311 HydrophobicContact CB-CG2 3.82Å; H284-T311 PolarHBondContact ND1-OG1 2.96Å
285I98.4Very high97.2Very high0 Ų019.7 Ų19.70%012%0.124CC..Hα-helixtrans-65.6-54.6178.2-65.6165.4000109.7L222 Y226 D246 V247 A250 L281 L282 V283 T287 N288 E289L222-I285 HydrophobicContact CD2-CG2 4.47Å; Y226-I285 HydrophobicContact CD1-CG1 4.14Å; Y226-I285 HydrophobicContact CD2-CG1 4.16Å; Y226-I285 HydrophobicContact CD2-CG2 4.39Å; Y226-I285 HydrophobicContact CE1-CG1 4Å; Y226-I285 HydrophobicContact CE2-CB 4.39Å; Y226-I285 HydrophobicContact CE2-CG1 4.05Å; Y226-I285 HydrophobicContact CE2-CG2 3.78Å; Y226-I285 HydrophobicContact CG-CG1 4.22Å; D246-I285 HydrophobicContact CB-CD1 4.49Å; V247-I285 HydrophobicContact CG2-CD1 3.85Å; A250-I285 HydrophobicContact CB-CB 4.09Å; A250-I285 HydrophobicContact CB-CD1 4.38Å; A250-I285 HydrophobicContact CB-CG2 3.5Å; L281-I285 HydrophobicContact CD1-CD1 4.04Å; L281-I285 HydrophobicContact CD1-CG1 4.07Å; L281-I285 HydrophobicContact CD2-CD1 4.45Å; L281-I285 HydrophobicContact CG-CD1 3.87Å; L281-I285 HydrophobicContact CG-CG1 4.36Å; L281-I285 VanDerWaalsContact O-CG1 3.3Å; L281-I285 WeakPolarHBondContact O-CG1 3.5Å; L281-I285 PolarHBondContact O-N 3.45Å; L282-I285 PolarHBondContact O-N 3.33Å; V283-I285 VanDerWaalsContact C-N 3.34Å; V283-I285 PolarHBondContact O-N 2.78Å; I285-T287 PolarHBondContact O-N 3.49Å; I285-N288 CarbonylContact O-C 3.46Å; I285-N288 PolarHBondContact O-N 3.38Å; I285-N288 VanDerWaalsContact O-N 3.14Å; I285-E289 HydrophobicContact CG2-CG 4.21Å; I285-E289 WeakPolarHBondContact O-CG 3.48Å; I285-E289 PolarHBondContact O-N 2.91Å
286L98.6Very high97.2Very high0 Ų019.9 Ų19.90%013%0.125CC..Hα-helixtrans-59.2-44.1-175.6-65.6174.1000112.3A250 L253 L254 W257 F272 L282 V283 N288 E289 G290 H291 I333A250-L286 HydrophobicContact CB-CD2 4.15Å; L253-L286 HydrophobicContact CB-CD2 4.32Å; L253-L286 HydrophobicContact CD1-CD1 3.98Å; L254-L286 HydrophobicContact CD1-CD2 4.34Å; L254-L286 HydrophobicContact CD2-CD2 3.97Å; L254-L286 HydrophobicContact CG-CD2 3.84Å; W257-L286 HydrophobicContact CH2-CD1 4Å; W257-L286 HydrophobicContact CH2-CD2 4.39Å; W257-L286 HydrophobicContact CZ3-CD1 4.3Å; W257-L286 HydrophobicContact CZ3-CD2 3.91Å; F272-L286 HydrophobicContact CD1-CB 4.4Å; F272-L286 HydrophobicContact CD1-CD1 4.46Å; F272-L286 HydrophobicContact CD2-CD1 4.26Å; F272-L286 HydrophobicContact CE1-CB 3.52Å; F272-L286 HydrophobicContact CE1-CD1 4.19Å; F272-L286 HydrophobicContact CE2-CB 4.36Å; F272-L286 HydrophobicContact CE2-CD1 3.96Å; F272-L286 HydrophobicContact CG-CD1 4.5Å; F272-L286 HydrophobicContact CZ-CB 3.5Å; F272-L286 VanDerWaalsContact CZ-CB 3.5Å; F272-L286 HydrophobicContact CZ-CD1 3.93Å; F272-L286 HydrophobicContact CZ-CG 4.36Å; L282-L286 HydrophobicContact CD1-CD1 3.92Å; L282-L286 HydrophobicContact CD1-CG 4.08Å; L282-L286 HydrophobicContact CG-CD1 3.99Å; L282-L286 WeakPolarHBondContact O-CG 3.33Å; L282-L286 PolarHBondContact O-N 2.86Å; V283-L286 PolarHBondContact O-N 3.3Å; L286-N288 PolarHBondContact O-N 3.08Å; L286-E289 CarbonylContact O-C 3.58Å; L286-E289 PolarHBondContact O-N 3.43Å; L286-G290 PolarHBondContact O-N 3.4Å; L286-H291 WeakPolarHBondContact O-CB 3.25Å; L286-H291 PolarHBondContact O-N 2.98Å; L286-H291 VanDerWaalsContact O-N 3.12Å; L286-I333 HydrophobicContact CD1-CD1 3.82Å
287T98Very high97.3Very high15 Ų1519.8 Ų19.89%0.09212%0.121CC..Hα-helixtrans-61.9-41.5175.350.70000112.9F272 V283 H284 I285 E289 G290 H291 G293F272-T287 HydrophobicContact CE1-CG2 4.31Å; F272-T287 HydrophobicContact CZ-CG2 4.02Å; V283-T287 HydrophobicContact CG1-CG2 4.28Å; V283-T287 WeakPolarHBondContact O-CB 3.49Å; V283-T287 WeakPolarHBondContact O-CG2 3.31Å; V283-T287 PolarHBondContact O-N 3.09Å; V283-T287 PolarHBondContact O-OG1 3.33Å; H284-T287 PolarHBondContact O-OG1 3.09Å; H284-T287 VanDerWaalsContact O-OG1 3.11Å; I285-T287 PolarHBondContact O-N 3.49Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 3.49Å; T287-G290 PolarHBondContact O-N 3.13Å; T287-H291 VanDerWaalsContact CA-O 3.31Å; T287-H291 WeakPolarHBondContact CA-O 3.44Å; T287-G293 WeakPolarHBondContact CG2-O 3.18Å
288N97.1Very high97.1Very high45 Ų4520.4 Ų20.424%0.24113%0.125CC..Hα-helixtrans-74.7-16.9177.1-76.6-24.9000114.3Y226 H284 I285 L286 G290Y226-N288 WeakPolarHBondContact OH-CB 3.44Å; H284-N288 PolarHBondContact CE1-ND2 2.95Å; H284-N288 PolarHBondContact ND1-ND2 3.05Å; H284-N288 PolarHBondContact NE2-ND2 2.97Å; H284-N288 VanDerWaalsContact NE2-ND2 3.13Å; H284-N288 VanDerWaalsContact O-CB 3.29Å; H284-N288 WeakPolarHBondContact O-CB 3.35Å; H284-N288 VanDerWaalsContact O-CG 3.32Å; H284-N288 PolarHBondContact O-N 2.93Å; H284-N288 VanDerWaalsContact O-N 3.15Å; H284-N288 PolarHBondContact O-ND2 3.44Å; I285-N288 CarbonylContact O-C 3.46Å; I285-N288 PolarHBondContact O-N 3.38Å; I285-N288 VanDerWaalsContact O-N 3.14Å; L286-N288 PolarHBondContact O-N 3.08Å; N288-G290 VanDerWaalsContact C-N 3.27Å
289E97.3Very high96.8Very high41 Ų4121.2 Ų21.219%0.19212%0.123CC..THydrogen-bonded Turntrans-87.26.3168.1-60.4-55.5121.800112.6R221 L222 K225 Y226 L254 I285 L286 T287R221-E289 IonicContact CZ-OE2 2.9Å; R221-E289 IonicContact NE-OE2 3.89Å; R221-E289 IonicContact NH2-OE2 3.51Å; R221-E289 PolarHBondContact NH2-OE2 3.49Å; L222-E289 HydrophobicContact CD2-CG 3.76Å; L222-E289 WeakPolarHBondContact CD2-OE1 3.31Å; L222-E289 WeakPolarHBondContact CD2-OE2 3.43Å; K225-E289 WeakPolarHBondContact CE-OE1 3.4Å; K225-E289 IonicContact NZ-OE1 3.04Å; K225-E289 PolarHBondContact NZ-OE1 3.34Å; Y226-E289 PolarHBondContact OH-OE1 3.02Å; L254-E289 HydrophobicContact CD1-CB 4.04Å; L254-E289 HydrophobicContact CD1-CG 3.79Å; L254-E289 HydrophobicContact CD2-CB 3.99Å; I285-E289 HydrophobicContact CG2-CG 4.21Å; I285-E289 WeakPolarHBondContact O-CG 3.48Å; I285-E289 PolarHBondContact O-N 2.91Å; L286-E289 CarbonylContact O-C 3.58Å; L286-E289 PolarHBondContact O-N 3.43Å; T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 3.49Å
290G96.6Very high96.8Very high47 Ų4725.4 Ų25.449%0.48514%0.137SC..THydrogen-bonded Turntrans99.68168.900000115.4L286 T287 N288L286-G290 PolarHBondContact O-N 3.4Å; T287-G290 PolarHBondContact O-N 3.13Å; N288-G290 VanDerWaalsContact C-N 3.27Å
291H98Very high96.5Very high9 Ų929 Ų294%0.04215%0.15CC..  trans-92.8123.5179.4-75.6-93.3000111.6L254 W257 R261 Q270 F272 L286 T287 G293L254-H291 WeakPolarHBondContact CD2-CD2 3.11Å; L254-H291 WeakPolarHBondContact CD2-NE2 3.32Å; W257-H291 AromaticContact CE3-CE1 3.35Å; W257-H291 AromaticContact CE3-CG 3.89Å; W257-H291 AromaticContact CE3-ND1 3.39Å; W257-H291 AromaticContact CE3-NE2 3.84Å; W257-H291 HydrophobicContact CZ3-CB 4.11Å; W257-H291 AromaticContact CZ3-CE1 3.96Å; W257-H291 AromaticContact CZ3-CG 3.7Å; W257-H291 AromaticContact CZ3-ND1 3.53Å; R261-H291 PolarHBondContact NH1-CE1 2.91Å; Q270-H291 PolarHBondContact N-ND1 3.36Å; Q270-H291 PolarHBondContact O-ND1 3.04Å; F272-H291 HydrophobicContact CD1-CB 4.12Å; F272-H291 HydrophobicContact CE1-CB 3.97Å; L286-H291 WeakPolarHBondContact O-CB 3.25Å; L286-H291 PolarHBondContact O-N 2.98Å; L286-H291 VanDerWaalsContact O-N 3.12Å; T287-H291 VanDerWaalsContact CA-O 3.31Å; T287-H291 WeakPolarHBondContact CA-O 3.44Å; H291-G293 PolarHBondContact O-N 3.41Å
292P97.6Very high96.1Very high74 Ų7437 Ų3748%0.48118%0.18SC..  trans-70131.4177.928.1-31.9000110.4S271 F272S271-P292 CarbonylContact C-O 3.6Å; S271-P292 WeakPolarHBondContact CA-O 3.25Å; F272-P292 WeakPolarHBondContact CD1-O 3.19Å; F272-P292 PolarHBondContact N-O 3.4Å
293G97.5Very high95.8Very high16 Ų1636.9 Ų36.917%0.16518%0.18CC..EExtended strand (participates in β ladder)trans175.5173.6178.500000114F272 T287 H291F272-G293 WeakPolarHBondContact O-CA 3.36Å; T287-G293 WeakPolarHBondContact CG2-O 3.18Å; H291-G293 PolarHBondContact O-N 3.41Å
294R98Very high95.7Very high79 Ų7937.3 Ų37.330%0.29818%0.182SC..EExtended strand (participates in β ladder)trans-142.3157.7-178.862.6175.6-178-106.12112.3F272 V273 D274 E312 E314F272-R294 PolarHBondContact O-N 2.66Å; V273-R294 WeakPolarHBondContact CA-O 3.38Å; V273-R294 HydrophobicContact CG2-CG 4.09Å; D274-R294 PolarHBondContact N-O 3.49Å; R294-E312 CarbonylContact C-O 3.53Å; R294-E312 VanDerWaalsContact CA-O 3.27Å; R294-E312 WeakPolarHBondContact CA-O 3.42Å; R294-E312 HydrophobicContact CB-CB 3.69Å; R294-E312 WeakPolarHBondContact CB-O 3.43Å; R294-E314 WeakPolarHBondContact CD-OE1 3.23Å; R294-E314 IonicContact NE-OE1 3.22Å
295G98.3Very high95.4Very high0 Ų041.8 Ų41.80%021%0.206CC..EExtended strand (participates in β ladder)trans-108.5141.1171.900000111.7D274 C277 E312 L313 E314D274-G295 WeakPolarHBondContact O-CA 2.93Å; C277-G295 VanDerWaalsContact SG-C 3.56Å; G295-E312 PolarHBondContact N-O 3.49Å; G295-L313 CarbonylContact O-C 3.54Å; G295-L313 WeakPolarHBondContact O-CA 3.37Å; G295-E314 PolarHBondContact O-N 2.94Å
296I97.8Very high95.2Very high4 Ų445.8 Ų45.82%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-123.8126.1174.2-51177.3000107.9V273 D274 L275 G276 C277 E314 K316 I318 F326V273-I296 HydrophobicContact CG1-CD1 4.11Å; V273-I296 HydrophobicContact CG1-CG1 4.37Å; D274-I296 PolarHBondContact O-N 2.81Å; L275-I296 HydrophobicContact CD2-CB 4.47Å; L275-I296 HydrophobicContact CD2-CD1 4.22Å; G276-I296 WeakPolarHBondContact CA-O 3.09Å; G276-I296 PolarHBondContact N-O 2.9Å; C277-I296 PolarHBondContact N-O 2.82Å; I296-E314 WeakPolarHBondContact CA-O 3.4Å; I296-E314 HydrophobicContact CG1-CB 4.33Å; I296-E314 HydrophobicContact CG2-CB 4.48Å; I296-K316 HydrophobicContact CG2-CB 3.97Å; I296-I318 HydrophobicContact CB-CD1 4.01Å; I296-I318 HydrophobicContact CB-CG1 4.28Å; I296-I318 HydrophobicContact CG2-CD1 3.87Å; I296-I318 HydrophobicContact CG2-CG1 3.65Å; I296-F326 HydrophobicContact CD1-CE1 4Å; I296-F326 HydrophobicContact CD1-CZ 3.93Å
297D96.6Very high95Very high9 Ų947 Ų475%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-136.9152172.6-161.3-80000110.2G276 C277 G278 R299 W304 E314 E315 K316G276-D297 WeakPolarHBondContact CA-OD2 3.35Å; C277-D297 PolarHBondContact N-OD2 3.36Å; G278-D297 VanDerWaalsContact CA-OD2 3.26Å; G278-D297 WeakPolarHBondContact CA-OD2 3.42Å; G278-D297 PolarHBondContact N-OD2 3.46Å; D297-R299 PolarHBondContact O-N 2.66Å; D297-R299 PolarHBondContact OD1-N 3.48Å; D297-W304 HydrophobicContact CB-CH2 4.21Å; D297-W304 HydrophobicContact CB-CZ2 4Å; D297-E314 PolarHBondContact N-O 3.45Å; D297-E315 CarbonylContact O-C 3.56Å; D297-E315 VanDerWaalsContact O-CA 3.25Å; D297-E315 WeakPolarHBondContact O-CA 3.33Å; D297-K316 CarbonylContact C-O 3.59Å; D297-K316 PolarHBondContact O-N 3.48Å
298V92.1Very high94.6Very high23 Ų2348 Ų4814%0.13924%0.244CC..SBendtrans-69.6-13.3175.871.10000112.5K316 A317 R481V298-K316 WeakPolarHBondContact CA-O 3.28Å; V298-K316 PolarHBondContact N-O 3.28Å; V298-A317 HydrophobicContact CG2-CB 3.9Å; V298-R481 WeakPolarHBondContact CG2-O 3.33Å
299R88.7Confident94.3Very high33 Ų3352.3 Ų52.313%0.12528%0.275CS..SBendtrans-137.4128.4-180-44.4-168.3180149.8-0.9112.1D297 N482 G483 E485D297-R299 PolarHBondContact O-N 2.66Å; D297-R299 PolarHBondContact OD1-N 3.48Å; R299-N482 PolarHBondContact NE-O 3.33Å; R299-N482 PolarHBondContact NH2-O 3.48Å; R299-G483 VanDerWaalsContact CD-O 3.29Å; R299-G483 WeakPolarHBondContact CD-O 3.49Å; R299-G483 VanDerWaalsContact CG-O 3.29Å; R299-G483 WeakPolarHBondContact CG-O 3.19Å; R299-G483 PolarHBondContact NE-O 3.4Å; R299-E485 IonicContact NH1-OE1 2.69Å; R299-E485 IonicContact NH1-OE2 2.97Å; R299-E485 PolarHBondContact NH1-OE2 2.94Å
300R92.4Very high94Very high116 Ų11659.1 Ų59.144%0.43830%0.298SS..  trans-67.5135.6166.8-178.4175.3-171.490.54.6111.1W304 D305 E315R300-W304 HydrophobicContact CB-CE3 4.18Å; R300-W304 HydrophobicContact CB-CZ3 4.29Å; R300-W304 HydrophobicContact CG-CB 4.36Å; R300-W304 HydrophobicContact CG-CD2 3.98Å; R300-W304 HydrophobicContact CG-CE3 3.69Å; R300-W304 HydrophobicContact CG-CG 4.31Å; R300-W304 HydrophobicContact CG-CZ3 4.28Å; R300-D305 IonicContact CZ-OD1 3.85Å; R300-D305 IonicContact NE-OD1 3.98Å; R300-D305 PolarHBondContact NE-OD1 3.4Å; R300-D305 IonicContact NH2-OD1 3.49Å; R300-D305 PolarHBondContact NH2-OD1 2.86Å; R300-E315 HydrophobicContact CB-CB 4.32Å; R300-E315 HydrophobicContact CB-CG 4.32Å; R300-E315 VanDerWaalsContact CB-OE2 3.25Å; R300-E315 WeakPolarHBondContact CB-OE2 3.44Å; R300-E315 VanDerWaalsContact N-CD 3.34Å; R300-E315 PolarHBondContact N-OE1 3.41Å; R300-E315 VanDerWaalsContact N-OE1 3.14Å
301R90.7Very high94Very high76 Ų7657.6 Ų57.629%0.28728%0.28SS..  trans-101.9158173.1-58.5-61.4-178.6166.81.1111G278 I303 W304 E485G278-R301 WeakPolarHBondContact O-CG 3.41Å; R301-I303 VanDerWaalsContact C-N 3.26Å; R301-I303 HydrophobicContact CB-CG2 4.18Å; R301-I303 PolarHBondContact O-N 3.12Å; R301-W304 WeakPolarHBondContact O-CB 3.34Å; R301-W304 PolarHBondContact O-N 3.05Å; R301-E485 IonicContact NH1-OE2 2.78Å
302R90.3Very high94Very high166 Ų16662.5 Ų62.563%0.62630%0.303SS*.G310 helixtrans-66.7-33.6-175.9-63.5179.9-177.7-179.10.5111.5P234 E235 W304 D305P234-R302 HydrophobicContact CG-CB 4.49Å; E235-R302 WeakPolarHBondContact OE1-CA 3.2Å; E235-R302 WeakPolarHBondContact OE1-CB 3.21Å; E235-R302 PolarHBondContact OE1-N 2.8Å; R302-W304 PolarHBondContact O-N 3.17Å; R302-D305 PolarHBondContact O-N 2.97Å
303I92.2Very high94Very high0 Ų060.5 Ų60.50%029%0.288CS..G310 helixtrans-62.3-20.4177.7-162.7170000113.5W233 P234 E235 N279 R301 D305 M306 Y307W233-I303 HydrophobicContact CD2-CD1 4.12Å; W233-I303 HydrophobicContact CE3-CD1 3.35Å; W233-I303 HydrophobicContact CH2-CD1 3.73Å; W233-I303 HydrophobicContact CZ2-CD1 4.45Å; W233-I303 HydrophobicContact CZ3-CD1 3.11Å; P234-I303 HydrophobicContact CG-CB 3.62Å; P234-I303 HydrophobicContact CG-CG1 3.91Å; E235-I303 HydrophobicContact CG-CB 4.31Å; E235-I303 HydrophobicContact CG-CG2 4.39Å; E235-I303 PolarHBondContact OE1-N 2.88Å; N279-I303 HydrophobicContact CB-CG2 4.13Å; N279-I303 WeakPolarHBondContact O-CG2 3.17Å; R301-I303 VanDerWaalsContact C-N 3.26Å; R301-I303 HydrophobicContact CB-CG2 4.18Å; R301-I303 PolarHBondContact O-N 3.12Å; I303-D305 PolarHBondContact O-N 3.36Å; I303-M306 HydrophobicContact CG1-SD 4.18Å; I303-M306 WeakPolarHBondContact O-CB 3.49Å; I303-M306 PolarHBondContact O-N 3.37Å; I303-Y307 HydrophobicContact CD1-CE1 4.44Å; I303-Y307 VanDerWaalsContact CD1-OH 3.28Å; I303-Y307 WeakPolarHBondContact CD1-OH 3.3Å; I303-Y307 HydrophobicContact CG1-CE1 4.12Å; I303-Y307 HydrophobicContact CG1-CE2 4.43Å; I303-Y307 WeakPolarHBondContact CG1-OH 3.33Å; I303-Y307 HydrophobicContact CG2-CE2 4.18Å
304W95.2Very high94Very high9 Ų962.1 Ų62.13%0.03429%0.291CS..G310 helixtrans-60.9-30.8177.6-67.519.5000112.1G278 N279 D297 R300 R301 R302 M306 Y307 L313 E315G278-W304 PolarHBondContact O-NE1 3.49Å; N279-W304 PolarHBondContact O-NE1 3.32Å; D297-W304 HydrophobicContact CB-CH2 4.21Å; D297-W304 HydrophobicContact CB-CZ2 4Å; R300-W304 HydrophobicContact CB-CE3 4.18Å; R300-W304 HydrophobicContact CB-CZ3 4.29Å; R300-W304 HydrophobicContact CG-CB 4.36Å; R300-W304 HydrophobicContact CG-CD2 3.98Å; R300-W304 HydrophobicContact CG-CE3 3.69Å; R300-W304 HydrophobicContact CG-CG 4.31Å; R300-W304 HydrophobicContact CG-CZ3 4.28Å; R301-W304 WeakPolarHBondContact O-CB 3.34Å; R301-W304 PolarHBondContact O-N 3.05Å; R302-W304 PolarHBondContact O-N 3.17Å; W304-M306 PolarHBondContact O-N 3.07Å; W304-Y307 PolarHBondContact O-N 2.96Å; W304-L313 HydrophobicContact CB-CD1 4.15Å; W304-L313 HydrophobicContact CD2-CB 3.85Å; W304-L313 HydrophobicContact CD2-CD1 3.57Å; W304-L313 HydrophobicContact CD2-CG 4.28Å; W304-L313 HydrophobicContact CE3-CB 3.45Å; W304-L313 VanDerWaalsContact CE3-CB 3.45Å; W304-L313 HydrophobicContact CE3-CD1 4.05Å; W304-L313 HydrophobicContact CE3-CG 4.36Å; W304-L313 HydrophobicContact CG-CD1 3.59Å; W304-L313 HydrophobicContact CH2-CB 3.88Å; W304-L313 HydrophobicContact CZ2-CB 4.2Å; W304-L313 HydrophobicContact CZ3-CB 3.49Å; W304-L313 VanDerWaalsContact CZ3-CB 3.49Å; W304-E315 HydrophobicContact CZ3-CB 4.47Å
305D92.9Very high93.9Very high116 Ų11663.7 Ų63.762%0.6230%0.302SS*.G310 helixtrans-68.2-13.8178.8-57.4-29.3000112.8R300 R302 I303R300-D305 IonicContact CZ-OD1 3.85Å; R300-D305 IonicContact NE-OD1 3.98Å; R300-D305 PolarHBondContact NE-OD1 3.4Å; R300-D305 IonicContact NH2-OD1 3.49Å; R300-D305 PolarHBondContact NH2-OD1 2.86Å; R302-D305 PolarHBondContact O-N 2.97Å; I303-D305 PolarHBondContact O-N 3.36Å
306M92.8Very high93.6Very high84 Ų8468.9 Ų68.941%0.41432%0.324SS..G310 helixtrans-92.2-14.1179.1-61177.254.500113.2V232 P234 I303 W304V232-M306 HydrophobicContact CB-CE 3.75Å; V232-M306 HydrophobicContact CG2-CE 3.49Å; V232-M306 VanDerWaalsContact CG2-CE 3.49Å; V232-M306 WeakPolarHBondContact O-CE 3.31Å; P234-M306 HydrophobicContact CB-SD 4.29Å; P234-M306 HydrophobicContact CG-SD 3.63Å; I303-M306 HydrophobicContact CG1-SD 4.18Å; I303-M306 WeakPolarHBondContact O-CB 3.49Å; I303-M306 PolarHBondContact O-N 3.37Å; W304-M306 PolarHBondContact O-N 3.07Å
307Y94.6Very high93.3Very high25 Ų2571 Ų7110%0.09834%0.343CS..SBendtrans-83.5145.9-177.3-57.1-40.7000111.5M229 N279 L281 H284 I303 W304 T311 L313M229-Y307 HydrophobicContact CE-CE1 4.21Å; M229-Y307 HydrophobicContact SD-CE1 4.3Å; N279-Y307 WeakPolarHBondContact O-CE2 3.44Å; N279-Y307 PolarHBondContact O-OH 2.93Å; L281-Y307 VanDerWaalsContact CA-OH 3.31Å; L281-Y307 WeakPolarHBondContact CA-OH 3.37Å; L281-Y307 WeakPolarHBondContact CB-OH 3.46Å; L281-Y307 HydrophobicContact CD1-CE1 4.42Å; L281-Y307 PolarHBondContact N-OH 2.85Å; H284-Y307 HydrophobicContact CB-CD1 3.96Å; H284-Y307 HydrophobicContact CB-CD2 4.45Å; H284-Y307 HydrophobicContact CB-CE1 3.96Å; H284-Y307 HydrophobicContact CB-CE2 4.44Å; H284-Y307 HydrophobicContact CB-CG 4.22Å; H284-Y307 AromaticContact CD2-CD1 3.91Å; H284-Y307 AromaticContact CD2-CE1 3.98Å; H284-Y307 AromaticContact CE1-CD1 3.68Å; H284-Y307 AromaticContact CG-CD1 3.48Å; H284-Y307 VanDerWaalsContact CG-CD1 3.48Å; H284-Y307 AromaticContact CG-CE1 3.76Å; H284-Y307 AromaticContact ND1-CD1 3.36Å; H284-Y307 WeakPolarHBondContact ND1-CD1 3.32Å; H284-Y307 AromaticContact ND1-CG 3.69Å; I303-Y307 HydrophobicContact CD1-CE1 4.44Å; I303-Y307 VanDerWaalsContact CD1-OH 3.28Å; I303-Y307 WeakPolarHBondContact CD1-OH 3.3Å; I303-Y307 HydrophobicContact CG1-CE1 4.12Å; I303-Y307 HydrophobicContact CG1-CE2 4.43Å; I303-Y307 WeakPolarHBondContact CG1-OH 3.33Å; I303-Y307 HydrophobicContact CG2-CE2 4.18Å; W304-Y307 PolarHBondContact O-N 2.96Å; Y307-T311 HydrophobicContact CD2-CG2 4.02Å; Y307-T311 HydrophobicContact CG-CG2 4.15Å; Y307-L313 HydrophobicContact CD2-CD1 3.65Å; Y307-L313 HydrophobicContact CE2-CD1 4.04Å
308G90.7Very high93Very high36 Ų3671 Ų7137%0.37134%0.342SS..  trans-77.1173.7178.900000112.9R310 T311G308-R310 PolarHBondContact O-N 3.3Å; G308-T311 PolarHBondContact O-N 2.83Å
309P90.5Very high92.8Very high136 Ų13672.4 Ų72.488%0.88335%0.351SS*.THydrogen-bonded Turntrans-64.7-13.2-174.827.5-36.5000114.4T311P309-T311 PolarHBondContact O-N 2.78Å
310R91.4Very high92.8Very high184 Ų18470.8 Ų70.869%0.69435%0.345SS*.THydrogen-bonded Turntrans-73-17173.8-65-174.5-176.5-173.6-0.3113.3G308G308-R310 PolarHBondContact O-N 3.3Å
311T96.6Very high92.7Very high15 Ų1566.1 Ų66.19%0.09233%0.33CS..  trans-99.499.2-176.4-57.40000109.1V283 H284 Y307 G308 P309 L313V283-T311 HydrophobicContact CG1-CG2 4.36Å; H284-T311 HydrophobicContact CB-CG2 3.82Å; H284-T311 PolarHBondContact ND1-OG1 2.96Å; Y307-T311 HydrophobicContact CD2-CG2 4.02Å; Y307-T311 HydrophobicContact CG-CG2 4.15Å; G308-T311 PolarHBondContact O-N 2.83Å; P309-T311 PolarHBondContact O-N 2.78Å; T311-L313 HydrophobicContact CG2-CD1 3.91Å; T311-L313 HydrophobicContact CG2-CD2 4.46Å; T311-L313 HydrophobicContact CG2-CG 3.95Å
312E97.1Very high92.6Very high112 Ų11267.5 Ų67.552%0.52334%0.34SS..EExtended strand (participates in β ladder)trans-83.6116.4179.4-65.8-178.4-167.500110.5R294 G295R294-E312 CarbonylContact C-O 3.53Å; R294-E312 VanDerWaalsContact CA-O 3.27Å; R294-E312 WeakPolarHBondContact CA-O 3.42Å; R294-E312 HydrophobicContact CB-CB 3.69Å; R294-E312 WeakPolarHBondContact CB-O 3.43Å; G295-E312 PolarHBondContact N-O 3.49Å
313L98Very high92.5Very high31 Ų3164 Ų6416%0.16234%0.341CS..EExtended strand (participates in β ladder)trans-133.4130.4180-62.4170.6000110.7V283 G295 W304 Y307 T311V283-L313 HydrophobicContact CB-CD2 3.98Å; V283-L313 HydrophobicContact CG1-CD2 3.99Å; V283-L313 HydrophobicContact CG2-CD2 4.08Å; G295-L313 CarbonylContact O-C 3.54Å; G295-L313 WeakPolarHBondContact O-CA 3.37Å; W304-L313 HydrophobicContact CB-CD1 4.15Å; W304-L313 HydrophobicContact CD2-CB 3.85Å; W304-L313 HydrophobicContact CD2-CD1 3.57Å; W304-L313 HydrophobicContact CD2-CG 4.28Å; W304-L313 HydrophobicContact CE3-CB 3.45Å; W304-L313 VanDerWaalsContact CE3-CB 3.45Å; W304-L313 HydrophobicContact CE3-CD1 4.05Å; W304-L313 HydrophobicContact CE3-CG 4.36Å; W304-L313 HydrophobicContact CG-CD1 3.59Å; W304-L313 HydrophobicContact CH2-CB 3.88Å; W304-L313 HydrophobicContact CZ2-CB 4.2Å; W304-L313 HydrophobicContact CZ3-CB 3.49Å; W304-L313 VanDerWaalsContact CZ3-CB 3.49Å; Y307-L313 HydrophobicContact CD2-CD1 3.65Å; Y307-L313 HydrophobicContact CE2-CD1 4.04Å; T311-L313 HydrophobicContact CG2-CD1 3.91Å; T311-L313 HydrophobicContact CG2-CD2 4.46Å; T311-L313 HydrophobicContact CG2-CG 3.95Å
314E96.7Very high92.5Very high50 Ų5065.5 Ų65.523%0.23435%0.347CS..EExtended strand (participates in β ladder)trans-118.2127.9-176.3-61.3-175.8-153.300111.5R294 G295 I296 D297 K316R294-E314 WeakPolarHBondContact CD-OE1 3.23Å; R294-E314 IonicContact NE-OE1 3.22Å; G295-E314 PolarHBondContact O-N 2.94Å; I296-E314 WeakPolarHBondContact CA-O 3.4Å; I296-E314 HydrophobicContact CG1-CB 4.33Å; I296-E314 HydrophobicContact CG2-CB 4.48Å; D297-E314 PolarHBondContact N-O 3.45Å; E314-K316 PolarHBondContact O-N 2.94Å; E314-K316 WeakPolarHBondContact OE2-CD 3.33Å; E314-K316 WeakPolarHBondContact OE2-CE 3.48Å; E314-K316 IonicContact OE2-NZ 3.01Å; E314-K316 PolarHBondContact OE2-NZ 3.04Å
315E95.8Very high92.5Very high112 Ų11266.9 Ų66.952%0.52336%0.355SS..EExtended strand (participates in β ladder)trans-87.292.3170.5-175.8171-158.500109.6D297 R300 W304D297-E315 CarbonylContact O-C 3.56Å; D297-E315 VanDerWaalsContact O-CA 3.25Å; D297-E315 WeakPolarHBondContact O-CA 3.33Å; R300-E315 HydrophobicContact CB-CB 4.32Å; R300-E315 HydrophobicContact CB-CG 4.32Å; R300-E315 VanDerWaalsContact CB-OE2 3.25Å; R300-E315 WeakPolarHBondContact CB-OE2 3.44Å; R300-E315 VanDerWaalsContact N-CD 3.34Å; R300-E315 PolarHBondContact N-OE1 3.41Å; R300-E315 VanDerWaalsContact N-OE1 3.14Å; W304-E315 HydrophobicContact CZ3-CB 4.47Å
316K93.4Very high92.6Very high110 Ų11061.8 Ų61.848%0.47833%0.328SS..  trans-143.4140.5-179.6-72179.6-176.9160.70111.5I296 D297 V298 E314 I318I296-K316 HydrophobicContact CG2-CB 3.97Å; D297-K316 CarbonylContact C-O 3.59Å; D297-K316 PolarHBondContact O-N 3.48Å; V298-K316 WeakPolarHBondContact CA-O 3.28Å; V298-K316 PolarHBondContact N-O 3.28Å; E314-K316 PolarHBondContact O-N 2.94Å; E314-K316 WeakPolarHBondContact OE2-CD 3.33Å; E314-K316 WeakPolarHBondContact OE2-CE 3.48Å; E314-K316 IonicContact OE2-NZ 3.01Å; E314-K316 PolarHBondContact OE2-NZ 3.04Å; K316-I318 PolarHBondContact O-N 2.94Å
317A90.3Very high92.7Very high49 Ų4962.4 Ų62.441%0.40534%0.338SS..  trans-72.7113.2170.900000109.8V298 T319 F324 P480V298-A317 HydrophobicContact CG2-CB 3.9Å; A317-T319 PolarHBondContact O-N 3.5Å; A317-F324 WeakPolarHBondContact O-CZ 3.38Å; A317-P480 HydrophobicContact CB-CB 4.39Å
318I89.8Confident92.7Very high7 Ų764.5 Ų64.54%0.03637%0.367CS..  trans-76.5119.5176.8-60.6158000108.1L275 I296 K316 F324 L340 F478L275-I318 HydrophobicContact CB-CD1 4Å; L275-I318 HydrophobicContact CD2-CD1 3.85Å; L275-I318 HydrophobicContact CD2-CG1 4.42Å; I296-I318 HydrophobicContact CB-CD1 4.01Å; I296-I318 HydrophobicContact CB-CG1 4.28Å; I296-I318 HydrophobicContact CG2-CD1 3.87Å; I296-I318 HydrophobicContact CG2-CG1 3.65Å; K316-I318 PolarHBondContact O-N 2.94Å; I318-F324 HydrophobicContact CB-CD1 4.45Å; I318-F324 HydrophobicContact CB-CE1 4.38Å; I318-F324 HydrophobicContact CG1-CD1 4.34Å; I318-F324 HydrophobicContact CG1-CE1 4.13Å; I318-F324 HydrophobicContact CG2-CD1 4.12Å; I318-F324 HydrophobicContact CG2-CG 4.34Å; I318-L340 HydrophobicContact CB-CD1 4.07Å; I318-L340 HydrophobicContact CB-CD2 4.19Å; I318-L340 HydrophobicContact CD1-CD1 3.59Å; I318-L340 HydrophobicContact CG1-CD1 4.45Å; I318-L340 HydrophobicContact CG2-CD1 4.25Å; I318-L340 HydrophobicContact CG2-CD2 3.86Å; I318-F478 WeakPolarHBondContact O-CE1 3.29Å
319T89.1Confident93Very high53 Ų5363.7 Ų63.733%0.32536%0.355SS..  trans-117126.9172.9-54.20000107.9A317 S321 F324A317-T319 PolarHBondContact O-N 3.5Å; T319-S321 PolarHBondContact O-N 2.9Å; T319-S321 PolarHBondContact O-OG 2.96Å; T319-F324 WeakPolarHBondContact O-CD2 3.47Å
320P88.8Confident93.4Very high0 Ų059.9 Ų59.90%033%0.327CS..SBendtrans-63.3104.2177.5-15.626.9000110.3W343 W474 G475 F478P320-W343 HydrophobicContact CB-CD2 3.74Å; P320-W343 HydrophobicContact CB-CE3 3.51Å; P320-W343 HydrophobicContact CB-CG 4.31Å; P320-W343 HydrophobicContact CB-CH2 4.32Å; P320-W343 HydrophobicContact CB-CZ3 3.83Å; P320-W343 HydrophobicContact CG-CB 4.2Å; P320-W343 HydrophobicContact CG-CD2 3.36Å; P320-W343 HydrophobicContact CG-CE3 3.73Å; P320-W343 HydrophobicContact CG-CG 3.62Å; P320-W343 HydrophobicContact CG-CH2 4.43Å; P320-W343 HydrophobicContact CG-CZ2 4.14Å; P320-W343 HydrophobicContact CG-CZ3 4.24Å; P320-W474 HydrophobicContact CB-CE3 3.84Å; P320-W474 HydrophobicContact CB-CH2 3.65Å; P320-W474 HydrophobicContact CB-CZ3 3.21Å; P320-G475 WeakPolarHBondContact O-CA 3.38Å; P320-G475 PolarHBondContact O-N 3.42Å; P320-G475 VanDerWaalsContact O-N 3.12Å; P320-F478 HydrophobicContact CG-CB 4.33Å; P320-F478 HydrophobicContact CG-CD1 3.92Å; P320-F478 HydrophobicContact CG-CD2 4.49Å; P320-F478 HydrophobicContact CG-CE1 4.31Å; P320-F478 HydrophobicContact CG-CG 3.99Å
321S90.1Very high93.7Very high18 Ų1851.1 Ų51.113%0.12629%0.294CS..SBendtrans-165174.5-176.864.10000110.1T319 S323 F324 W474T319-S321 PolarHBondContact O-N 2.9Å; T319-S321 PolarHBondContact O-OG 2.96Å; S321-S323 PolarHBondContact O-N 3.32Å; S321-S323 VanDerWaalsContact O-N 3.15Å; S321-S323 PolarHBondContact OG-N 2.99Å; S321-S323 PolarHBondContact OG-OG 3.02Å; S321-F324 PolarHBondContact O-N 3.34Å; S321-F324 VanDerWaalsContact O-N 3.07Å; S321-W474 VanDerWaalsContact N-CZ2 3.33Å
322E88.1Confident93.8Very high105 Ų10550.4 Ų50.449%0.49129%0.29SS..G310 helixtrans-55.3-27.8174-61.5-53.7121.700113.5F324 L325 W474E322-F324 PolarHBondContact O-N 2.66Å; E322-L325 VanDerWaalsContact OE2-CD1 3.32Å; E322-L325 WeakPolarHBondContact OE2-CD1 3.34Å; E322-W474 VanDerWaalsContact OE1-CD1 3.27Å; E322-W474 PolarHBondContact OE1-NE1 3.34Å
323S88.6Confident93.9Very high93 Ų9345.1 Ų45.165%0.6527%0.265SS*.G310 helixtrans-75.2-9.3-179.865.20000114S321S321-S323 PolarHBondContact O-N 3.32Å; S321-S323 VanDerWaalsContact O-N 3.15Å; S321-S323 PolarHBondContact OG-N 2.99Å; S321-S323 PolarHBondContact OG-OG 3.02Å
324F91.8Very high93.9Very high30 Ų3043.6 Ų43.613%0.13226%0.257CS..G310 helixtrans-12140.8179.3-74.7-85.3000111.6A317 I318 T319 S321 E322 F326 I347A317-F324 WeakPolarHBondContact O-CZ 3.38Å; I318-F324 HydrophobicContact CB-CD1 4.45Å; I318-F324 HydrophobicContact CB-CE1 4.38Å; I318-F324 HydrophobicContact CG1-CD1 4.34Å; I318-F324 HydrophobicContact CG1-CE1 4.13Å; I318-F324 HydrophobicContact CG2-CD1 4.12Å; I318-F324 HydrophobicContact CG2-CG 4.34Å; T319-F324 WeakPolarHBondContact O-CD2 3.47Å; S321-F324 PolarHBondContact O-N 3.34Å; S321-F324 VanDerWaalsContact O-N 3.07Å; E322-F324 PolarHBondContact O-N 2.66Å; F324-F326 WeakPolarHBondContact O-CE2 3.44Å; F324-I347 WeakPolarHBondContact O-CG2 3.27Å
325L95.1Very high93.9Very high38 Ų3842.1 Ų42.120%0.19925%0.251CS..  trans-100.6149.7169.9-61.2-176.6000111.4E322 I347 R350 W474E322-L325 VanDerWaalsContact OE2-CD1 3.32Å; E322-L325 WeakPolarHBondContact OE2-CD1 3.34Å; L325-I347 HydrophobicContact CD2-CG2 4.45Å; L325-R350 HydrophobicContact CD1-CB 4.45Å; L325-R350 HydrophobicContact CD2-CB 3.66Å; L325-W474 HydrophobicContact CD2-CZ2 4.11Å
326F96.4Very high93.8Very high10 Ų1038.6 Ų38.64%0.04423%0.234CC..  trans-130.866.4-172.2-52.8-82.1000111.7V273 L275 I296 F324 G328 T329 L332 I347 S351V273-F326 HydrophobicContact CB-CD1 4.41Å; V273-F326 HydrophobicContact CB-CE1 4.5Å; V273-F326 HydrophobicContact CG1-CD1 4.32Å; V273-F326 HydrophobicContact CG1-CE1 3.92Å; V273-F326 HydrophobicContact CG1-CE2 4.42Å; V273-F326 HydrophobicContact CG1-CZ 3.98Å; V273-F326 HydrophobicContact CG2-CD1 3.81Å; V273-F326 HydrophobicContact CG2-CE1 4.16Å; V273-F326 HydrophobicContact CG2-CG 4.25Å; L275-F326 HydrophobicContact CD1-CE2 4.22Å; L275-F326 HydrophobicContact CD2-CE2 3.93Å; L275-F326 HydrophobicContact CD2-CZ 3.84Å; I296-F326 HydrophobicContact CD1-CE1 4Å; I296-F326 HydrophobicContact CD1-CZ 3.93Å; F324-F326 WeakPolarHBondContact O-CE2 3.44Å; F326-G328 PolarHBondContact O-N 2.62Å; F326-T329 WeakPolarHBondContact O-CB 3.41Å; F326-T329 PolarHBondContact O-N 3.02Å; F326-L332 HydrophobicContact CB-CD2 4.16Å; F326-L332 HydrophobicContact CD2-CD1 4.13Å; F326-L332 HydrophobicContact CD2-CD2 3.68Å; F326-L332 HydrophobicContact CE2-CD2 4.38Å; F326-L332 HydrophobicContact CG-CD2 4.08Å; F326-I347 HydrophobicContact CD2-CG2 4.09Å; F326-I347 HydrophobicContact CE2-CG2 4.05Å; F326-S351 PolarHBondContact N-OG 3.11Å
327P94.5Very high93.7Very high96 Ų9633.5 Ų33.562%0.62321%0.212SC*.THydrogen-bonded Turntrans-63.4-25.6-170.424.2-34.6000115S351P327-S351 WeakPolarHBondContact CA-O 3.17Å; P327-S351 WeakPolarHBondContact CB-O 3.07Å
328G94.1Very high93.8Very high70 Ų7032.5 Ų32.572%0.72220%0.2SC*.THydrogen-bonded Turntrans-91.99.6176.700000114.9F326F326-G328 PolarHBondContact O-N 2.62Å
329T96.9Very high93.9Very high19 Ų1932.9 Ų32.912%0.11720%0.202CC..  trans-108.2131.7-174.7-61.70000111.6S271 V273 F326 W331 L332 C355S271-T329 WeakPolarHBondContact OG-CA 3.31Å; V273-T329 HydrophobicContact CB-CG2 4.4Å; V273-T329 HydrophobicContact CG2-CG2 3.97Å; F326-T329 WeakPolarHBondContact O-CB 3.41Å; F326-T329 PolarHBondContact O-N 3.02Å; T329-W331 VanDerWaalsContact CG2-O 3.31Å; T329-W331 WeakPolarHBondContact CG2-O 3.4Å; T329-L332 HydrophobicContact CG2-CD2 4.16Å; T329-C355 PolarHBondContact O-SG 3.03Å
330D97.8Very high94.2Very high55 Ų5530.8 Ų30.829%0.29419%0.189SC..SBendtrans-74.6-39.6-179.9-59.7-61.3000112.4S271 R356S271-D330 PolarHBondContact N-OD2 3.2Å; S271-D330 WeakPolarHBondContact O-CB 3.43Å; S271-D330 PolarHBondContact O-N 3.47Å; S271-D330 PolarHBondContact OG-N 2.89Å; S271-D330 PolarHBondContact OG-OD2 3.5Å; D330-R356 PolarHBondContact O-N 3.19Å
331W98.5Very high94.6Very high1 Ų130.8 Ų30.80%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-132.5128.9-172.3-73.484.5000113.7L256 W257 E260 S271 F272 V273 T329 R356 F357 F358 V415L256-W331 HydrophobicContact CD2-CH2 3.82Å; L256-W331 HydrophobicContact CD2-CZ3 4.21Å; W257-W331 AromaticContact CD1-CE2 3.54Å; W257-W331 AromaticContact CD1-CZ2 3.79Å; W257-W331 AromaticContact CD1-NE1 3.55Å; W257-W331 AromaticContact CE2-CD1 3.95Å; W257-W331 AromaticContact CE2-CG 3.91Å; W257-W331 HydrophobicContact CZ2-CB 3.95Å; W257-W331 HydrophobicContact CZ2-CD2 4.41Å; W257-W331 AromaticContact CZ2-CG 3.94Å; W257-W331 HydrophobicContact CZ2-CG 3.94Å; W257-W331 AromaticContact NE1-CD1 3.43Å; W257-W331 AromaticContact NE1-CD2 3.22Å; W257-W331 AromaticContact NE1-CE2 3.15Å; W257-W331 AromaticContact NE1-CE3 3.84Å; W257-W331 AromaticContact NE1-CG 3.44Å; W257-W331 AromaticContact NE1-CZ2 3.72Å; W257-W331 AromaticContact NE1-NE1 3.29Å; E260-W331 PolarHBondContact OE1-NE1 2.79Å; S271-W331 PolarHBondContact O-N 3.43Å; F272-W331 CarbonylContact C-O 3.57Å; F272-W331 WeakPolarHBondContact CA-O 3.41Å; F272-W331 HydrophobicContact CB-CB 4.2Å; V273-W331 PolarHBondContact N-O 2.99Å; T329-W331 VanDerWaalsContact CG2-O 3.31Å; T329-W331 WeakPolarHBondContact CG2-O 3.4Å; W331-R356 WeakPolarHBondContact CA-O 3.35Å; W331-R356 HydrophobicContact CD2-CB 3.67Å; W331-R356 HydrophobicContact CE3-CB 3.73Å; W331-R356 HydrophobicContact CG-CB 4.31Å; W331-R356 HydrophobicContact CH2-CB 3.97Å; W331-R356 HydrophobicContact CZ2-CB 3.92Å; W331-R356 VanDerWaalsContact CZ2-CD 3.46Å; W331-R356 HydrophobicContact CZ2-CG 4.29Å; W331-R356 HydrophobicContact CZ3-CB 3.87Å; W331-F357 WeakPolarHBondContact CZ3-O 3.39Å; W331-F358 HydrophobicContact CE3-CB 4.47Å; W331-F358 HydrophobicContact CZ3-CB 4.45Å; W331-V415 HydrophobicContact CH2-CG1 3.8Å; W331-V415 HydrophobicContact CZ3-CG1 3.86Å
332L98.7Very high94.9Very high0 Ų030 Ų300%018%0.183CC..EExtended strand (participates in β ladder)trans-97.9130.3162.3-58.6-169.6000110.7V273 L275 F326 T329 I344 I347 A348 R356 F357 F358V273-L332 HydrophobicContact CB-CD2 3.88Å; V273-L332 WeakPolarHBondContact O-CA 3.46Å; L275-L332 HydrophobicContact CD1-CD1 4.28Å; F326-L332 HydrophobicContact CB-CD2 4.16Å; F326-L332 HydrophobicContact CD2-CD1 4.13Å; F326-L332 HydrophobicContact CD2-CD2 3.68Å; F326-L332 HydrophobicContact CE2-CD2 4.38Å; F326-L332 HydrophobicContact CG-CD2 4.08Å; T329-L332 HydrophobicContact CG2-CD2 4.16Å; L332-I344 HydrophobicContact CB-CG2 4.09Å; L332-I347 HydrophobicContact CD1-CB 3.97Å; L332-I347 HydrophobicContact CD1-CG2 3.52Å; L332-A348 HydrophobicContact CB-CB 4.37Å; L332-A348 HydrophobicContact CD1-CB 3.83Å; L332-A348 HydrophobicContact CG-CB 4.19Å; L332-R356 PolarHBondContact N-O 3.41Å; L332-F357 CarbonylContact O-C 3.56Å; L332-F357 WeakPolarHBondContact O-CA 3.45Å; L332-F358 PolarHBondContact O-N 2.86Å
333I98.8Very high95.4Very high0 Ų025 Ų250%016%0.159CC..EExtended strand (participates in β ladder)trans-109.6134.1180-60.8170.2000108.3L253 W257 F272 V273 D274 L275 L282 L286 N335 F358L253-I333 HydrophobicContact CD1-CD1 3.7Å; L253-I333 HydrophobicContact CD1-CG1 4.38Å; W257-I333 HydrophobicContact CH2-CD1 4.12Å; W257-I333 HydrophobicContact CZ2-CD1 4.17Å; F272-I333 HydrophobicContact CB-CD1 4.04Å; F272-I333 HydrophobicContact CD2-CD1 3.74Å; F272-I333 HydrophobicContact CG-CD1 4.06Å; V273-I333 PolarHBondContact O-N 3.24Å; D274-I333 HydrophobicContact CB-CB 4.18Å; D274-I333 HydrophobicContact CB-CG2 4.46Å; D274-I333 WeakPolarHBondContact OD1-CG2 3.19Å; L275-I333 PolarHBondContact N-O 3.38Å; L282-I333 HydrophobicContact CD2-CG2 3.99Å; L286-I333 HydrophobicContact CD1-CD1 3.82Å; I333-N335 HydrophobicContact CG2-CB 4.3Å; I333-F358 CarbonylContact C-O 3.54Å; I333-F358 WeakPolarHBondContact CA-O 3.19Å; I333-F358 HydrophobicContact CG2-CD1 4.13Å
334G98.1Very high95.8Very high0 Ų020.5 Ų20.50%013%0.128CC..EExtended strand (participates in β ladder)trans-123.978.5168.100000110.1H336 F358 V359 L360G334-H336 PolarHBondContact O-N 3.48Å; G334-F358 PolarHBondContact N-O 2.83Å; G334-V359 WeakPolarHBondContact O-CA 3.38Å; G334-L360 PolarHBondContact O-N 3.36Å
335N97Very high96.1Very high18 Ų1819.1 Ų19.110%0.09612%0.122CC..EExtended strand (participates in β ladder)trans-81102.2174.717719.4000109.7D246 I249 L282 I333 S337D246-N335 PolarHBondContact OD1-ND2 2.88Å; I249-N335 WeakPolarHBondContact CD1-OD1 3.47Å; L282-N335 HydrophobicContact CD2-CB 3.83Å; I333-N335 HydrophobicContact CG2-CB 4.3Å; N335-S337 PolarHBondContact O-N 3.42Å
336H93Very high96.3Very high39 Ų3917.3 Ų17.318%0.18111%0.113CC..SBendtrans56.536.9179.3-62.2-33.5000113.2E245 G334 D338 L360 C362E245-H336 IonicContact OE1-CD2 2.66Å; E245-H336 IonicContact OE1-NE2 2.69Å; G334-H336 PolarHBondContact O-N 3.48Å; H336-D338 PolarHBondContact O-N 3.33Å; H336-L360 WeakPolarHBondContact CA-O 3.49Å; H336-L360 WeakPolarHBondContact CE1-CD2 3.47Å; H336-L360 VanDerWaalsContact CE1-CG 3.48Å; H336-L360 WeakPolarHBondContact CE1-CG 3.39Å; H336-L360 PolarHBondContact N-O 3.45Å; H336-L360 PolarHBondContact ND1-O 3.12Å; H336-C362 VanDerWaalsContact CA-SG 3.56Å; H336-C362 HydrophobicContact CB-CB 4.17Å; H336-C362 VanDerWaalsContact CB-SG 3.58Å; H336-C362 WeakPolarHBondContact ND1-CB 3.42Å
337S92.8Very high96.3Very high2 Ų216.9 Ų16.91%0.01411%0.111CC..  trans-73.915.6-169.4640000115.7L275 N335 E339 L340 T341L275-S337 WeakPolarHBondContact O-CB 3.46Å; N335-S337 PolarHBondContact O-N 3.42Å; S337-E339 PolarHBondContact O-N 2.95Å; S337-L340 WeakPolarHBondContact O-CB 3.37Å; S337-L340 PolarHBondContact O-N 3.31Å; S337-T341 WeakPolarHBondContact OG-CA 3.38Å; S337-T341 PolarHBondContact OG-N 3.15Å
338D91.7Very high96.5Very high28 Ų2812.3 Ų12.315%0.158%0.081CC..G310 helixtrans48.1-120.3176.2-67.8-51.5000113.5H336 L340 T341 C363 F365 R481H336-D338 PolarHBondContact O-N 3.33Å; D338-L340 PolarHBondContact O-N 3.23Å; D338-T341 VanDerWaalsContact O-CB 3.29Å; D338-T341 WeakPolarHBondContact O-CB 3.41Å; D338-T341 PolarHBondContact O-N 3.45Å; D338-T341 VanDerWaalsContact O-N 3.12Å; D338-T341 PolarHBondContact O-OG1 2.79Å; D338-C363 WeakPolarHBondContact OD1-CB 3.23Å; D338-C363 PolarHBondContact OD1-SG 3.07Å; D338-F365 VanDerWaalsContact C-CD2 3.46Å; D338-F365 HydrophobicContact CB-CD2 4.41Å; D338-F365 HydrophobicContact CB-CE2 3.92Å; D338-R481 IonicContact OD2-CZ 2.71Å; D338-R481 IonicContact OD2-NH1 3.15Å; D338-R481 PolarHBondContact OD2-NH1 3.09Å; D338-R481 IonicContact OD2-NH2 3.33Å; D338-R481 PolarHBondContact OD2-NH2 2.92Å
339E92.3Very high96.6Very high15 Ų159 Ų97%0.075%0.048CC..G310 helixtrans-62.4-19.2-179.664-85.8-16800114.3S337 T341 F365 F478 R481S337-E339 PolarHBondContact O-N 2.95Å; E339-T341 VanDerWaalsContact C-N 3.34Å; E339-F365 HydrophobicContact CB-CB 4.47Å; E339-F365 HydrophobicContact CB-CD1 3.84Å; E339-F365 HydrophobicContact CB-CD2 4.34Å; E339-F365 HydrophobicContact CB-CE1 3.99Å; E339-F365 HydrophobicContact CB-CE2 4.46Å; E339-F365 HydrophobicContact CB-CG 4.01Å; E339-F365 HydrophobicContact CB-CZ 4.26Å; E339-F478 HydrophobicContact CB-CE2 3.98Å; E339-F478 HydrophobicContact CB-CZ 4.31Å; E339-F478 HydrophobicContact CG-CE2 3.79Å; E339-F478 HydrophobicContact CG-CZ 3.6Å; E339-R481 WeakPolarHBondContact OE1-CB 3.45Å; E339-R481 WeakPolarHBondContact OE1-CD 3.48Å; E339-R481 WeakPolarHBondContact OE1-CG 3.33Å; E339-R481 IonicContact OE1-CZ 3.46Å; E339-R481 PolarHBondContact OE1-N 3.49Å; E339-R481 IonicContact OE1-NE 3.34Å; E339-R481 PolarHBondContact OE1-NE 3.04Å; E339-R481 IonicContact OE1-NH2 2.72Å; E339-R481 VanDerWaalsContact OE2-CD 3.31Å; E339-R481 WeakPolarHBondContact OE2-CD 3.3Å; E339-R481 IonicContact OE2-CZ 3.53Å; E339-R481 IonicContact OE2-NE 3.3Å; E339-R481 PolarHBondContact OE2-NE 3.08Å; E339-R481 IonicContact OE2-NH2 2.7Å
340L95.1Very high96.6Very high10 Ų109.8 Ų9.85%0.0525%0.048CC..G310 helixtrans-80.8-15.6176.9-64.7171000112.5I318 S337 D338 W343 I344 F478I318-L340 HydrophobicContact CB-CD1 4.07Å; I318-L340 HydrophobicContact CB-CD2 4.19Å; I318-L340 HydrophobicContact CD1-CD1 3.59Å; I318-L340 HydrophobicContact CG1-CD1 4.45Å; I318-L340 HydrophobicContact CG2-CD1 4.25Å; I318-L340 HydrophobicContact CG2-CD2 3.86Å; S337-L340 WeakPolarHBondContact O-CB 3.37Å; S337-L340 PolarHBondContact O-N 3.31Å; D338-L340 PolarHBondContact O-N 3.23Å; L340-W343 CarbonylContact O-C 3.34Å; L340-W343 WeakPolarHBondContact O-CA 3.49Å; L340-W343 WeakPolarHBondContact O-CB 3.41Å; L340-W343 PolarHBondContact O-N 3.25Å; L340-I344 HydrophobicContact CB-CD1 4.17Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 3.39Å; L340-F478 HydrophobicContact CD2-CE1 4.08Å; L340-F478 HydrophobicContact CD2-CE2 4.5Å; L340-F478 HydrophobicContact CD2-CZ 3.63Å; L340-F478 HydrophobicContact CG-CZ 4.4Å
341T96.9Very high96.6Very high0 Ų07.7 Ų7.70%04%0.038CC..THydrogen-bonded Turntrans-45.1-54-177-56.40000113.5S337 D338 E339 W343 V359 P361 Y384 I388S337-T341 WeakPolarHBondContact OG-CA 3.38Å; S337-T341 PolarHBondContact OG-N 3.15Å; D338-T341 VanDerWaalsContact O-CB 3.29Å; D338-T341 WeakPolarHBondContact O-CB 3.41Å; D338-T341 PolarHBondContact O-N 3.45Å; D338-T341 VanDerWaalsContact O-N 3.12Å; D338-T341 PolarHBondContact O-OG1 2.79Å; E339-T341 VanDerWaalsContact C-N 3.34Å; T341-W343 VanDerWaalsContact C-N 3.27Å; T341-W343 PolarHBondContact O-N 3.18Å; T341-V359 HydrophobicContact CG2-CG1 3.56Å; T341-P361 HydrophobicContact CG2-CB 3.78Å; T341-P361 HydrophobicContact CG2-CG 3.88Å; T341-Y384 HydrophobicContact CG2-CE1 4.46Å; T341-I388 HydrophobicContact CG2-CD1 3.8Å; T341-I388 HydrophobicContact CG2-CG1 4.05Å
342P97.3Very high96.5Very high0 Ų09.1 Ų9.10%05%0.048CC..THydrogen-bonded Turntrans-71.6-19.1178.330.1-37.2000113.7F367 F387 I388 V391P342-F367 HydrophobicContact CB-CD1 4.13Å; P342-F367 HydrophobicContact CB-CE1 3.86Å; P342-F367 HydrophobicContact CB-CE2 4.47Å; P342-F367 HydrophobicContact CB-CZ 4.06Å; P342-F367 HydrophobicContact CG-CD1 4.33Å; P342-F367 WeakPolarHBondContact O-CE1 3.45Å; P342-F387 HydrophobicContact CB-CE1 4.22Å; P342-F387 HydrophobicContact CB-CZ 4.38Å; P342-I388 HydrophobicContact CB-CD1 4.04Å; P342-V391 WeakPolarHBondContact O-CG1 3.42Å
343W97.4Very high96.3Very high0 Ų012.2 Ų12.20%06%0.06CC..Hα-helixtrans-82.9-24.3179.4-68.1106.4000113.5P320 L340 T341 V346 I347 F367 I437 W474 F478P320-W343 HydrophobicContact CB-CD2 3.74Å; P320-W343 HydrophobicContact CB-CE3 3.51Å; P320-W343 HydrophobicContact CB-CG 4.31Å; P320-W343 HydrophobicContact CB-CH2 4.32Å; P320-W343 HydrophobicContact CB-CZ3 3.83Å; P320-W343 HydrophobicContact CG-CB 4.2Å; P320-W343 HydrophobicContact CG-CD2 3.36Å; P320-W343 HydrophobicContact CG-CE3 3.73Å; P320-W343 HydrophobicContact CG-CG 3.62Å; P320-W343 HydrophobicContact CG-CH2 4.43Å; P320-W343 HydrophobicContact CG-CZ2 4.14Å; P320-W343 HydrophobicContact CG-CZ3 4.24Å; L340-W343 CarbonylContact O-C 3.34Å; L340-W343 WeakPolarHBondContact O-CA 3.49Å; L340-W343 WeakPolarHBondContact O-CB 3.41Å; L340-W343 PolarHBondContact O-N 3.25Å; T341-W343 VanDerWaalsContact C-N 3.27Å; T341-W343 PolarHBondContact O-N 3.18Å; W343-V346 HydrophobicContact CE3-CB 4.3Å; W343-V346 HydrophobicContact CE3-CG1 4.34Å; W343-V346 HydrophobicContact CE3-CG2 4.41Å; W343-V346 WeakPolarHBondContact O-CB 3.21Å; W343-V346 PolarHBondContact O-N 2.99Å; W343-I347 HydrophobicContact CB-CD1 4.16Å; W343-I347 WeakPolarHBondContact O-CG1 3.29Å; W343-I347 PolarHBondContact O-N 3.15Å; W343-F367 AromaticContact CD2-CD1 3.59Å; W343-F367 HydrophobicContact CD2-CD1 3.59Å; W343-F367 HydrophobicContact CD2-CE1 4.07Å; W343-F367 AromaticContact CE2-CD1 3.47Å; W343-F367 VanDerWaalsContact CE2-CD1 3.47Å; W343-F367 AromaticContact CE3-CD1 3.8Å; W343-F367 HydrophobicContact CE3-CD1 3.8Å; W343-F367 HydrophobicContact CE3-CE1 4.01Å; W343-F367 HydrophobicContact CG-CD1 4.22Å; W343-F367 HydrophobicContact CH2-CB 4.38Å; W343-F367 AromaticContact CH2-CD1 3.85Å; W343-F367 HydrophobicContact CH2-CD1 3.85Å; W343-F367 HydrophobicContact CH2-CG 4.48Å; W343-F367 HydrophobicContact CZ2-CB 3.75Å; W343-F367 AromaticContact CZ2-CD1 3.63Å; W343-F367 HydrophobicContact CZ2-CD1 3.63Å; W343-F367 HydrophobicContact CZ2-CG 4.15Å; W343-F367 AromaticContact CZ3-CD1 3.93Å; W343-F367 HydrophobicContact CZ3-CD1 3.93Å; W343-F367 HydrophobicContact CZ3-CE1 4.3Å; W343-F367 AromaticContact NE1-CD1 3.9Å; W343-F367 PolarHBondContact NE1-O 2.75Å; W343-I437 HydrophobicContact CH2-CG2 3.84Å; W343-I437 HydrophobicContact CZ3-CD1 4.15Å; W343-I437 HydrophobicContact CZ3-CG2 4.23Å; W343-W474 HydrophobicContact CE3-CE3 4.28Å; W343-W474 AromaticContact CE3-CZ3 3.71Å; W343-W474 HydrophobicContact CE3-CZ3 3.71Å; W343-W474 AromaticContact CZ3-CE3 3.73Å; W343-W474 HydrophobicContact CZ3-CE3 3.73Å; W343-W474 AromaticContact CZ3-CZ3 3.65Å; W343-W474 HydrophobicContact CZ3-CZ3 3.65Å; W343-F478 AromaticContact CD1-CD2 3.81Å; W343-F478 AromaticContact CD1-CE2 3.65Å; W343-F478 AromaticContact CE2-CD2 3.91Å; W343-F478 HydrophobicContact CZ2-CB 4.1Å; W343-F478 HydrophobicContact CZ2-CD2 4.38Å; W343-F478 AromaticContact NE1-CD2 3.13Å; W343-F478 AromaticContact NE1-CE2 3.47Å; W343-F478 AromaticContact NE1-CG 3.91Å
344I98.1Very high96.2Very high0 Ų015.1 Ų15.10%08%0.08CC..Hα-helixtrans-57-47.6-178.1-53.7-58.2000112.5L275 L332 L340 V346 I347 A348 F357 V359L275-I344 HydrophobicContact CB-CD1 3.58Å; L275-I344 HydrophobicContact CD1-CD1 3.65Å; L275-I344 HydrophobicContact CG-CD1 4.19Å; L332-I344 HydrophobicContact CB-CG2 4.09Å; L340-I344 HydrophobicContact CB-CD1 4.17Å; L340-I344 WeakPolarHBondContact O-CG1 3.38Å; L340-I344 PolarHBondContact O-N 3.39Å; I344-V346 VanDerWaalsContact C-N 3.29Å; I344-V346 PolarHBondContact O-N 3.09Å; I344-I347 PolarHBondContact O-N 3.48Å; I344-A348 WeakPolarHBondContact O-CB 2.97Å; I344-A348 PolarHBondContact O-N 3.14Å; I344-F357 HydrophobicContact CG2-CB 4.04Å; I344-V359 HydrophobicContact CB-CG2 3.51Å; I344-V359 HydrophobicContact CG1-CG2 3.94Å; I344-V359 HydrophobicContact CG2-CG2 3.54Å
345P98.2Very high96.2Very high0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-62-36.4175.8-22.335.1000112.6A348 A349 F357 V391 C395 F397P345-A348 PolarHBondContact O-N 3.11Å; P345-A349 WeakPolarHBondContact O-CB 3.34Å; P345-A349 PolarHBondContact O-N 3.42Å; P345-F357 HydrophobicContact CB-CD1 4.06Å; P345-F357 HydrophobicContact CB-CE1 3.79Å; P345-F357 HydrophobicContact CB-CZ 4.16Å; P345-F357 HydrophobicContact CG-CD1 4.39Å; P345-F357 HydrophobicContact CG-CD2 4.4Å; P345-F357 HydrophobicContact CG-CE1 4.08Å; P345-F357 HydrophobicContact CG-CE2 4.11Å; P345-F357 HydrophobicContact CG-CZ 3.95Å; P345-V391 HydrophobicContact CB-CG1 4.44Å; P345-V391 HydrophobicContact CG-CG1 4.39Å; P345-C395 HydrophobicContact CB-CB 4.32Å; P345-F397 WeakPolarHBondContact O-CE2 3.05Å
346V97.8Very high96.2Very high1 Ų116 Ų161%0.0068%0.082CC..Hα-helixtrans-65.9-48.1178.7-1780000110.9W343 I344 A348 A349 R350 F367 V391 I437 W474W343-V346 HydrophobicContact CE3-CB 4.3Å; W343-V346 HydrophobicContact CE3-CG1 4.34Å; W343-V346 HydrophobicContact CE3-CG2 4.41Å; W343-V346 WeakPolarHBondContact O-CB 3.21Å; W343-V346 PolarHBondContact O-N 2.99Å; I344-V346 VanDerWaalsContact C-N 3.29Å; I344-V346 PolarHBondContact O-N 3.09Å; V346-A348 VanDerWaalsContact C-N 3.32Å; V346-A348 PolarHBondContact O-N 2.72Å; V346-A349 PolarHBondContact O-N 2.99Å; V346-R350 PolarHBondContact O-N 2.68Å; V346-F367 HydrophobicContact CG2-CE1 3.9Å; V346-F367 HydrophobicContact CG2-CZ 4.29Å; V346-V391 HydrophobicContact CG2-CG1 4.47Å; V346-I437 HydrophobicContact CG1-CD1 3.86Å; V346-I437 HydrophobicContact CG2-CD1 3.94Å; V346-W474 HydrophobicContact CG1-CE3 4.22Å; V346-W474 HydrophobicContact CG1-CH2 4.21Å; V346-W474 HydrophobicContact CG1-CZ3 3.66Å
347I97.8Very high96.5Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-63-42.2178.3-62.8162.5000109.8L275 F324 L325 F326 L332 W343 I344 R350 S351 W474L275-I347 HydrophobicContact CD1-CD1 3.88Å; L275-I347 HydrophobicContact CD1-CG2 4.33Å; F324-I347 WeakPolarHBondContact O-CG2 3.27Å; L325-I347 HydrophobicContact CD2-CG2 4.45Å; F326-I347 HydrophobicContact CD2-CG2 4.09Å; F326-I347 HydrophobicContact CE2-CG2 4.05Å; L332-I347 HydrophobicContact CD1-CB 3.97Å; L332-I347 HydrophobicContact CD1-CG2 3.52Å; W343-I347 HydrophobicContact CB-CD1 4.16Å; W343-I347 WeakPolarHBondContact O-CG1 3.29Å; W343-I347 PolarHBondContact O-N 3.15Å; I344-I347 PolarHBondContact O-N 3.48Å; I347-R350 PolarHBondContact O-N 2.92Å; I347-S351 VanDerWaalsContact O-CB 3.25Å; I347-S351 WeakPolarHBondContact O-CB 3.26Å; I347-S351 PolarHBondContact O-N 3.25Å; I347-S351 PolarHBondContact O-OG 3.37Å; I347-W474 HydrophobicContact CG1-CH2 3.85Å
348A98.1Very high96.8Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-62.9-45.217800000111.3L332 I344 P345 V346 R350 S351 S352 C355 F357 F397L332-A348 HydrophobicContact CB-CB 4.37Å; L332-A348 HydrophobicContact CD1-CB 3.83Å; L332-A348 HydrophobicContact CG-CB 4.19Å; I344-A348 WeakPolarHBondContact O-CB 2.97Å; I344-A348 PolarHBondContact O-N 3.14Å; P345-A348 PolarHBondContact O-N 3.11Å; V346-A348 VanDerWaalsContact C-N 3.32Å; V346-A348 PolarHBondContact O-N 2.72Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-R350 PolarHBondContact O-N 3.2Å; A348-S351 PolarHBondContact O-N 2.96Å; A348-S352 PolarHBondContact O-N 3.41Å; A348-C355 WeakPolarHBondContact O-CB 3.33Å; A348-F357 HydrophobicContact CB-CB 3.96Å; A348-F357 HydrophobicContact CB-CD1 4.43Å; A348-F397 HydrophobicContact CB-CE2 4.28Å; A348-F397 HydrophobicContact CB-CZ 3.74Å
349A97.4Very high97.1Very high2 Ų212.7 Ų12.72%0.0177%0.066CC..Hα-helixtrans-59.4-4417800000112.5P345 V346 C395 F397P345-A349 WeakPolarHBondContact O-CB 3.34Å; P345-A349 PolarHBondContact O-N 3.42Å; V346-A349 PolarHBondContact O-N 2.99Å; A349-C395 HydrophobicContact CB-CB 4.13Å; A349-F397 HydrophobicContact CB-CE2 3.88Å
350R96.3Very high97.4Very high35 Ų3512 Ų1213%0.1326%0.063CC..Hα-helixtrans-79.6-19.9-179.8-71.4-176.3168.1149.6-5.2114.4L325 V346 I347 A348 D430 W474L325-R350 HydrophobicContact CD1-CB 4.45Å; L325-R350 HydrophobicContact CD2-CB 3.66Å; V346-R350 PolarHBondContact O-N 2.68Å; I347-R350 PolarHBondContact O-N 2.92Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-R350 PolarHBondContact O-N 3.2Å; R350-D430 IonicContact CZ-OD1 2.68Å; R350-D430 VanDerWaalsContact CZ-OD1 3.3Å; R350-D430 IonicContact NE-OD1 3.5Å; R350-D430 PolarHBondContact NE-OD1 2.78Å; R350-D430 IonicContact NH2-OD1 3.51Å; R350-D430 PolarHBondContact NH2-OD1 3.41Å; R350-D430 IonicContact NH2-OD2 2.75Å; R350-W474 VanDerWaalsContact NH1-CB 3.33Å
351S96.8Very high97.4Very high10 Ų1011.5 Ų11.57%0.076%0.06CC..Hα-helixtrans-70.6-49.3179-68.80000111.2F326 P327 I347 A348F326-S351 PolarHBondContact N-OG 3.11Å; P327-S351 WeakPolarHBondContact CA-O 3.17Å; P327-S351 WeakPolarHBondContact CB-O 3.07Å; I347-S351 VanDerWaalsContact O-CB 3.25Å; I347-S351 WeakPolarHBondContact O-CB 3.26Å; I347-S351 PolarHBondContact O-N 3.25Å; I347-S351 PolarHBondContact O-OG 3.37Å; A348-S351 PolarHBondContact O-N 2.96Å
352S96.2Very high97.1Very high31 Ų3112.4 Ų12.422%0.2177%0.066CC..  trans-165.2152.1175.7168.40000110.7A348 S354 C355 R419A348-S352 PolarHBondContact O-N 3.41Å; S352-S354 PolarHBondContact O-N 3.47Å; S352-S354 PolarHBondContact OG-N 3.25Å; S352-S354 PolarHBondContact OG-OG 3.39Å; S352-S354 VanDerWaalsContact OG-OG 3.07Å; S352-C355 WeakPolarHBondContact O-CB 3.35Å; S352-C355 PolarHBondContact O-N 3.48Å; S352-C355 VanDerWaalsContact O-N 3.12Å; S352-R419 PolarHBondContact O-NH2 2.97Å; S352-R419 VanDerWaalsContact O-NH2 3.07Å
353Y96.4Very high96.8Very high65 Ų6514.3 Ų14.326%0.2558%0.079SC..THydrogen-bonded Turntrans-59.5-33.1174-172.9-94.8000112.6R419 Y421 Q423Y353-R419 HydrophobicContact CD1-CG 4.28Å; Y353-R419 HydrophobicContact CD2-CG 3.87Å; Y353-R419 HydrophobicContact CE1-CB 4.22Å; Y353-R419 HydrophobicContact CE1-CG 4Å; Y353-R419 HydrophobicContact CE2-CB 3.78Å; Y353-R419 HydrophobicContact CE2-CG 3.57Å; Y353-R419 HydrophobicContact CG-CG 4.22Å; Y353-R419 WeakPolarHBondContact O-CG 3.46Å; Y353-R419 PolarHBondContact O-NE 3.26Å; Y353-Y421 HydrophobicContact CD2-CE2 4.31Å; Y353-Y421 HydrophobicContact CE2-CD2 4.27Å; Y353-Y421 AromaticContact CE2-CE2 3.84Å; Y353-Y421 HydrophobicContact CE2-CE2 3.84Å; Y353-Y421 PolarHBondContact OH-O 3.42Å; Y353-Q423 HydrophobicContact CD1-CB 4.31Å; Y353-Q423 HydrophobicContact CD1-CG 4.32Å; Y353-Q423 HydrophobicContact CD2-CB 3.98Å; Y353-Q423 HydrophobicContact CD2-CG 3.87Å; Y353-Q423 HydrophobicContact CE1-CB 4.15Å; Y353-Q423 VanDerWaalsContact CE2-CA 3.44Å; Y353-Q423 HydrophobicContact CE2-CB 3.8Å; Y353-Q423 HydrophobicContact CE2-CG 4.23Å; Y353-Q423 HydrophobicContact CG-CB 4.21Å; Y353-Q423 HydrophobicContact CG-CG 3.9Å; Y353-Q423 PolarHBondContact OH-N 2.79Å
354S95.2Very high96.7Very high61 Ų6116 Ų1643%0.4279%0.087SC..THydrogen-bonded Turntrans-86.1-9.9178.560.40000114S352 R356S352-S354 PolarHBondContact O-N 3.47Å; S352-S354 PolarHBondContact OG-N 3.25Å; S352-S354 PolarHBondContact OG-OG 3.39Å; S352-S354 VanDerWaalsContact OG-OG 3.07Å; S354-R356 PolarHBondContact O-NH1 2.9Å; S354-R356 VanDerWaalsContact O-NH1 3.17Å
355C97.7Very high96.4Very high1 Ų117.5 Ų17.51%0.0079%0.093CC..  trans-71.5133.9-176.5-168.80000111.1T329 A348 S352 F397 R419T329-C355 PolarHBondContact O-SG 3.03Å; A348-C355 WeakPolarHBondContact O-CB 3.33Å; S352-C355 WeakPolarHBondContact O-CB 3.35Å; S352-C355 PolarHBondContact O-N 3.48Å; S352-C355 VanDerWaalsContact O-N 3.12Å; C355-F397 VanDerWaalsContact O-CE1 3.3Å; C355-F397 WeakPolarHBondContact O-CE1 3.26Å; C355-F397 WeakPolarHBondContact O-CZ 3.46Å; C355-R419 PolarHBondContact O-NH2 2.95Å
356R97.9Very high96.2Very high36 Ų3617.9 Ų17.914%0.13610%0.095CC..EExtended strand (participates in β ladder)trans-109.9167.1-177.9-66.9172.2-167.884.912.5110.3E260 D330 W331 L332 S354 G416 K417E260-R356 IonicContact OE1-NH1 2.7Å; E260-R356 VanDerWaalsContact OE2-CD 3.28Å; E260-R356 WeakPolarHBondContact OE2-CD 3.5Å; E260-R356 IonicContact OE2-CZ 2.92Å; E260-R356 IonicContact OE2-NE 3.12Å; E260-R356 PolarHBondContact OE2-NE 2.8Å; D330-R356 PolarHBondContact O-N 3.19Å; W331-R356 WeakPolarHBondContact CA-O 3.35Å; W331-R356 HydrophobicContact CD2-CB 3.67Å; W331-R356 HydrophobicContact CE3-CB 3.73Å; W331-R356 HydrophobicContact CG-CB 4.31Å; W331-R356 HydrophobicContact CH2-CB 3.97Å; W331-R356 HydrophobicContact CZ2-CB 3.92Å; W331-R356 VanDerWaalsContact CZ2-CD 3.46Å; W331-R356 HydrophobicContact CZ2-CG 4.29Å; W331-R356 HydrophobicContact CZ3-CB 3.87Å; L332-R356 PolarHBondContact N-O 3.41Å; S354-R356 PolarHBondContact O-NH1 2.9Å; S354-R356 VanDerWaalsContact O-NH1 3.17Å; R356-G416 WeakPolarHBondContact CA-O 3.04Å; R356-G416 VanDerWaalsContact CB-O 3.27Å; R356-G416 WeakPolarHBondContact CB-O 3.39Å; R356-G416 WeakPolarHBondContact CG-O 3.07Å; R356-K417 WeakPolarHBondContact CD-O 3.37Å; R356-K417 WeakPolarHBondContact CG-O 3.34Å; R356-K417 PolarHBondContact NE-O 3.46Å
357F98.7Very high96Very high0 Ų017.9 Ų17.90%010%0.095CC..EExtended strand (participates in β ladder)trans-138.3154.1172.977-97.3000113.3W331 L332 I344 P345 A348 V359 S392 F397 T399 L414 V415 G416W331-F357 WeakPolarHBondContact CZ3-O 3.39Å; L332-F357 CarbonylContact O-C 3.56Å; L332-F357 WeakPolarHBondContact O-CA 3.45Å; I344-F357 HydrophobicContact CG2-CB 4.04Å; P345-F357 HydrophobicContact CB-CD1 4.06Å; P345-F357 HydrophobicContact CB-CE1 3.79Å; P345-F357 HydrophobicContact CB-CZ 4.16Å; P345-F357 HydrophobicContact CG-CD1 4.39Å; P345-F357 HydrophobicContact CG-CD2 4.4Å; P345-F357 HydrophobicContact CG-CE1 4.08Å; P345-F357 HydrophobicContact CG-CE2 4.11Å; P345-F357 HydrophobicContact CG-CZ 3.95Å; A348-F357 HydrophobicContact CB-CB 3.96Å; A348-F357 HydrophobicContact CB-CD1 4.43Å; F357-V359 HydrophobicContact CD2-CB 4.34Å; F357-V359 HydrophobicContact CD2-CG2 3.72Å; F357-V359 HydrophobicContact CE2-CB 4.47Å; F357-V359 HydrophobicContact CE2-CG2 4.17Å; F357-S392 WeakPolarHBondContact CE1-OG 3.47Å; F357-S392 WeakPolarHBondContact CZ-OG 3.35Å; F357-F397 HydrophobicContact CD1-CD1 4.02Å; F357-F397 AromaticContact CD1-CD2 3.99Å; F357-F397 HydrophobicContact CD1-CD2 3.99Å; F357-F397 AromaticContact CD1-CE1 3.74Å; F357-F397 HydrophobicContact CD1-CE1 3.74Å; F357-F397 AromaticContact CD1-CE2 3.73Å; F357-F397 HydrophobicContact CD1-CE2 3.73Å; F357-F397 HydrophobicContact CD1-CG 4.12Å; F357-F397 AromaticContact CD1-CZ 3.59Å; F357-F397 HydrophobicContact CD1-CZ 3.59Å; F357-F397 HydrophobicContact CE1-CB 4.1Å; F357-F397 AromaticContact CE1-CD1 3.91Å; F357-F397 HydrophobicContact CE1-CD1 3.91Å; F357-F397 AromaticContact CE1-CD2 3.65Å; F357-F397 HydrophobicContact CE1-CD2 3.65Å; F357-F397 HydrophobicContact CE1-CE1 4.12Å; F357-F397 AromaticContact CE1-CE2 3.88Å; F357-F397 HydrophobicContact CE1-CE2 3.88Å; F357-F397 AromaticContact CE1-CG 3.65Å; F357-F397 HydrophobicContact CE1-CG 3.65Å; F357-F397 HydrophobicContact CE1-CZ 4.1Å; F357-T399 HydrophobicContact CZ-CG2 4.17Å; F357-L414 HydrophobicContact CE2-CB 4.23Å; F357-V415 WeakPolarHBondContact O-CA 3.35Å; F357-G416 PolarHBondContact N-O 3.47Å; F357-G416 PolarHBondContact O-N 2.96Å
358F98.8Very high95.5Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-124.2129.1163.4171.3-84000108.4I249 Y252 L253 W331 L332 I333 G334 L360 L404 C413 V415I249-F358 HydrophobicContact CG2-CE1 4.27Å; I249-F358 HydrophobicContact CG2-CZ 4.4Å; Y252-F358 HydrophobicContact CD1-CD2 4.42Å; Y252-F358 AromaticContact CD1-CE2 3.85Å; Y252-F358 HydrophobicContact CD1-CE2 3.85Å; Y252-F358 HydrophobicContact CE1-CD2 4.34Å; Y252-F358 AromaticContact CE1-CE2 3.91Å; Y252-F358 HydrophobicContact CE1-CE2 3.91Å; L253-F358 HydrophobicContact CD2-CB 3.88Å; L253-F358 HydrophobicContact CD2-CD1 4.27Å; L253-F358 HydrophobicContact CD2-CD2 3.76Å; L253-F358 HydrophobicContact CD2-CE2 4.36Å; L253-F358 HydrophobicContact CD2-CG 3.71Å; W331-F358 HydrophobicContact CE3-CB 4.47Å; W331-F358 HydrophobicContact CZ3-CB 4.45Å; L332-F358 PolarHBondContact O-N 2.86Å; I333-F358 CarbonylContact C-O 3.54Å; I333-F358 WeakPolarHBondContact CA-O 3.19Å; I333-F358 HydrophobicContact CG2-CD1 4.13Å; G334-F358 PolarHBondContact N-O 2.83Å; F358-L360 HydrophobicContact CE1-CB 3.82Å; F358-L360 HydrophobicContact CZ-CB 4.13Å; F358-L404 HydrophobicContact CE2-CD1 4.49Å; F358-L404 HydrophobicContact CZ-CD1 4.36Å; F358-L404 HydrophobicContact CZ-CD2 4.09Å; F358-C413 HydrophobicContact CD2-CB 4.24Å; F358-C413 HydrophobicContact CE2-CB 3.46Å; F358-C413 VanDerWaalsContact CE2-CB 3.46Å; F358-C413 HydrophobicContact CZ-CB 3.64Å; F358-V415 HydrophobicContact CD2-CG2 4.05Å
359V98.5Very high95Very high0 Ų021.5 Ų21.50%012%0.118CC..EExtended strand (participates in β ladder)trans-129.9134.4174.3176.20000110.1G334 T341 I344 F357 P361 C413 L414G334-V359 WeakPolarHBondContact O-CA 3.38Å; T341-V359 HydrophobicContact CG2-CG1 3.56Å; I344-V359 HydrophobicContact CB-CG2 3.51Å; I344-V359 HydrophobicContact CG1-CG2 3.94Å; I344-V359 HydrophobicContact CG2-CG2 3.54Å; F357-V359 HydrophobicContact CD2-CB 4.34Å; F357-V359 HydrophobicContact CD2-CG2 3.72Å; F357-V359 HydrophobicContact CE2-CB 4.47Å; F357-V359 HydrophobicContact CE2-CG2 4.17Å; V359-P361 HydrophobicContact CG1-CG 3.93Å; V359-P361 WeakPolarHBondContact O-CD 3.37Å; V359-C413 CarbonylContact O-C 3.54Å; V359-C413 WeakPolarHBondContact O-CA 3.19Å; V359-C413 WeakPolarHBondContact O-CB 3.36Å; V359-L414 PolarHBondContact N-O 3.4Å; V359-L414 PolarHBondContact O-N 3.48Å
360L98.1Very high94.6Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-117.988.7173.4-176.763.5000110.1I249 G334 H336 F358 C362 L404 I406 V412 C413I249-L360 HydrophobicContact CD1-CD2 3.73Å; I249-L360 HydrophobicContact CG1-CD2 4.18Å; G334-L360 PolarHBondContact O-N 3.36Å; H336-L360 WeakPolarHBondContact CA-O 3.49Å; H336-L360 WeakPolarHBondContact CE1-CD2 3.47Å; H336-L360 VanDerWaalsContact CE1-CG 3.48Å; H336-L360 WeakPolarHBondContact CE1-CG 3.39Å; H336-L360 PolarHBondContact N-O 3.45Å; H336-L360 PolarHBondContact ND1-O 3.12Å; F358-L360 HydrophobicContact CE1-CB 3.82Å; F358-L360 HydrophobicContact CZ-CB 4.13Å; L360-C362 PolarHBondContact O-N 3.09Å; L360-L404 HydrophobicContact CD1-CD1 4.17Å; L360-L404 HydrophobicContact CD1-CD2 4.43Å; L360-L404 HydrophobicContact CD2-CD2 4.17Å; L360-I406 HydrophobicContact CD2-CD1 3.97Å; L360-V412 WeakPolarHBondContact CD1-O 3.38Å; L360-C413 HydrophobicContact CD1-CB 4.18Å
361P96.7Very high94.4Very high0 Ų025.8 Ų25.80%014%0.137CC..  trans-68130.7-173.1-20.533.5000113.4T341 V359 Y384 I385 I388 V412 L414T341-P361 HydrophobicContact CG2-CB 3.78Å; T341-P361 HydrophobicContact CG2-CG 3.88Å; V359-P361 HydrophobicContact CG1-CG 3.93Å; V359-P361 WeakPolarHBondContact O-CD 3.37Å; P361-Y384 HydrophobicContact CB-CD1 4.08Å; P361-Y384 HydrophobicContact CB-CE1 3.73Å; P361-I385 HydrophobicContact CB-CD1 4.12Å; P361-I385 HydrophobicContact CG-CD1 3.75Å; P361-I388 HydrophobicContact CG-CG1 4.3Å; P361-V412 WeakPolarHBondContact CD-O 3.34Å; P361-L414 HydrophobicContact CG-CD1 3.83Å
362C90.6Very high94Very high19 Ų1931.5 Ų31.513%0.12816%0.162CC..  trans-118.2-38.5171.862.20000113.8H336 L360 K410H336-C362 VanDerWaalsContact CA-SG 3.56Å; H336-C362 HydrophobicContact CB-CB 4.17Å; H336-C362 VanDerWaalsContact CB-SG 3.58Å; H336-C362 WeakPolarHBondContact ND1-CB 3.42Å; L360-C362 PolarHBondContact O-N 3.09Å; C362-K410 HydrophobicContact CB-CD 4.24Å; C362-K410 WeakPolarHBondContact O-CD 3.48Å; C362-K410 VanDerWaalsContact O-CE 3.31Å; C362-K410 WeakPolarHBondContact O-CE 3.42Å; C362-K410 PolarHBondContact O-NZ 2.82Å
363C91.2Very high93.6Very high39 Ų3934.6 Ų34.626%0.26417%0.17SC..SBendtrans-112145.1-175.8-74.70000110.6D338 F365 Y384D338-C363 WeakPolarHBondContact OD1-CB 3.23Å; D338-C363 PolarHBondContact OD1-SG 3.07Å; C363-F365 HydrophobicContact CB-CD2 3.58Å; C363-F365 HydrophobicContact CB-CE2 3.53Å; C363-F365 PolarHBondContact O-N 3.31Å; C363-F365 VanDerWaalsContact O-N 3.16Å; C363-Y384 WeakPolarHBondContact O-CE1 3.29Å; C363-Y384 PolarHBondContact O-OH 3.07Å
364F93.6Very high93.1Very high37 Ų3737.3 Ų37.316%0.16218%0.179CC..  trans-88.184.3-173.9-50.7-38.7000110.3Y371 Q380 Y381 Y384F364-Y371 PolarHBondContact O-N 3.15Å; F364-Q380 VanDerWaalsContact CD2-CD 3.47Å; F364-Q380 HydrophobicContact CD2-CG 3.88Å; F364-Q380 HydrophobicContact CE2-CG 3.6Å; F364-Q380 VanDerWaalsContact CE2-OE1 3.3Å; F364-Q380 HydrophobicContact CZ-CG 4.08Å; F364-Y381 HydrophobicContact CE1-CD2 4.03Å; F364-Y381 HydrophobicContact CZ-CD2 4.47Å; F364-Y384 HydrophobicContact CB-CD2 4.24Å; F364-Y384 HydrophobicContact CB-CE2 4.33Å; F364-Y384 AromaticContact CD1-CD1 3.44Å; F364-Y384 HydrophobicContact CD1-CD1 3.44Å; F364-Y384 VanDerWaalsContact CD1-CD1 3.44Å; F364-Y384 HydrophobicContact CD1-CD2 4.05Å; F364-Y384 AromaticContact CD1-CE1 3.93Å; F364-Y384 HydrophobicContact CD1-CE1 3.93Å; F364-Y384 AromaticContact CD1-CG 3.47Å; F364-Y384 HydrophobicContact CD1-CG 3.47Å; F364-Y384 VanDerWaalsContact CD1-CG 3.47Å; F364-Y384 AromaticContact CE1-CD1 3.92Å; F364-Y384 HydrophobicContact CE1-CD1 3.92Å; F364-Y384 HydrophobicContact CE1-CG 4.09Å; F364-Y384 HydrophobicContact CG-CG 4.34Å
365F93.5Very high92.5Very high31 Ų3138.3 Ų38.314%0.13618%0.177CC..EExtended strand (participates in β ladder)trans-113141177.8-75.2-86.8000110.9D338 E339 C363 G369 K370 Y384D338-F365 VanDerWaalsContact C-CD2 3.46Å; D338-F365 HydrophobicContact CB-CD2 4.41Å; D338-F365 HydrophobicContact CB-CE2 3.92Å; E339-F365 HydrophobicContact CB-CB 4.47Å; E339-F365 HydrophobicContact CB-CD1 3.84Å; E339-F365 HydrophobicContact CB-CD2 4.34Å; E339-F365 HydrophobicContact CB-CE1 3.99Å; E339-F365 HydrophobicContact CB-CE2 4.46Å; E339-F365 HydrophobicContact CB-CG 4.01Å; E339-F365 HydrophobicContact CB-CZ 4.26Å; C363-F365 HydrophobicContact CB-CD2 3.58Å; C363-F365 HydrophobicContact CB-CE2 3.53Å; C363-F365 PolarHBondContact O-N 3.31Å; C363-F365 VanDerWaalsContact O-N 3.16Å; F365-G369 CarbonylContact C-O 3.59Å; F365-G369 WeakPolarHBondContact CA-O 3.28Å; F365-G369 WeakPolarHBondContact CD1-O 3.24Å; F365-K370 HydrophobicContact CD1-CD 4.04Å; F365-K370 HydrophobicContact CE1-CD 3.96Å; F365-K370 VanDerWaalsContact CE1-NZ 3.35Å; F365-K370 VanDerWaalsContact CE2-NZ 3.28Å; F365-K370 HydrophobicContact CZ-CD 4.41Å; F365-Y384 PolarHBondContact N-OH 3.05Å; F365-Y384 VanDerWaalsContact O-CE2 3.26Å; F365-Y384 WeakPolarHBondContact O-CE2 3.28Å; F365-Y384 PolarHBondContact O-OH 3.45Å
366D94Very high91.8Very high7 Ų743.7 Ų43.74%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-96.5179.6162.6-151.1-41.3000108.4Y368 G369 R440D366-Y368 VanDerWaalsContact C-N 3.25Å; D366-Y368 PolarHBondContact O-N 2.88Å; D366-G369 PolarHBondContact N-O 2.94Å; D366-R440 IonicContact OD1-NE 3.39Å; D366-R440 IonicContact OD2-CZ 2.61Å; D366-R440 IonicContact OD2-NE 2.8Å; D366-R440 PolarHBondContact OD2-NE 2.79Å; D366-R440 VanDerWaalsContact OD2-NE 3.17Å; D366-R440 IonicContact OD2-NH2 2.7Å; D366-R440 PolarHBondContact OD2-NH2 2.66Å
367F92.6Very high91.2Very high2 Ų252.8 Ų52.81%0.00925%0.248CC..THydrogen-bonded Turntrans-58.2-34.6179.7-65.7-75.8000113.7P342 W343 V346 F387 V391 Y436 I437 R440P342-F367 HydrophobicContact CB-CD1 4.13Å; P342-F367 HydrophobicContact CB-CE1 3.86Å; P342-F367 HydrophobicContact CB-CE2 4.47Å; P342-F367 HydrophobicContact CB-CZ 4.06Å; P342-F367 HydrophobicContact CG-CD1 4.33Å; P342-F367 WeakPolarHBondContact O-CE1 3.45Å; W343-F367 AromaticContact CD2-CD1 3.59Å; W343-F367 HydrophobicContact CD2-CD1 3.59Å; W343-F367 HydrophobicContact CD2-CE1 4.07Å; W343-F367 AromaticContact CE2-CD1 3.47Å; W343-F367 VanDerWaalsContact CE2-CD1 3.47Å; W343-F367 AromaticContact CE3-CD1 3.8Å; W343-F367 HydrophobicContact CE3-CD1 3.8Å; W343-F367 HydrophobicContact CE3-CE1 4.01Å; W343-F367 HydrophobicContact CG-CD1 4.22Å; W343-F367 HydrophobicContact CH2-CB 4.38Å; W343-F367 AromaticContact CH2-CD1 3.85Å; W343-F367 HydrophobicContact CH2-CD1 3.85Å; W343-F367 HydrophobicContact CH2-CG 4.48Å; W343-F367 HydrophobicContact CZ2-CB 3.75Å; W343-F367 AromaticContact CZ2-CD1 3.63Å; W343-F367 HydrophobicContact CZ2-CD1 3.63Å; W343-F367 HydrophobicContact CZ2-CG 4.15Å; W343-F367 AromaticContact CZ3-CD1 3.93Å; W343-F367 HydrophobicContact CZ3-CD1 3.93Å; W343-F367 HydrophobicContact CZ3-CE1 4.3Å; W343-F367 AromaticContact NE1-CD1 3.9Å; W343-F367 PolarHBondContact NE1-O 2.75Å; V346-F367 HydrophobicContact CG2-CE1 3.9Å; V346-F367 HydrophobicContact CG2-CZ 4.29Å; F367-F387 HydrophobicContact CE2-CZ 4.37Å; F367-V391 HydrophobicContact CE1-CG1 4.47Å; F367-V391 HydrophobicContact CE2-CG2 3.93Å; F367-V391 HydrophobicContact CZ-CB 4.45Å; F367-V391 HydrophobicContact CZ-CG1 3.73Å; F367-V391 HydrophobicContact CZ-CG2 3.82Å; F367-Y436 HydrophobicContact CE2-CD1 4.35Å; F367-Y436 AromaticContact CE2-CE1 3.97Å; F367-Y436 HydrophobicContact CE2-CE1 3.97Å; F367-I437 HydrophobicContact CD1-CG1 4.48Å; F367-I437 HydrophobicContact CE1-CG1 4.11Å; F367-I437 HydrophobicContact CE2-CG1 4.29Å; F367-I437 HydrophobicContact CG-CG2 4.45Å; F367-I437 HydrophobicContact CZ-CG1 3.99Å; F367-R440 HydrophobicContact CD2-CB 4.14Å; F367-R440 HydrophobicContact CD2-CG 3.91Å; F367-R440 HydrophobicContact CE2-CG 4.21Å
368Y87.8Confident90.7Very high46 Ų4656.6 Ų56.618%0.1826%0.264CS..THydrogen-bonded Turntrans-116.79.2-174.1-50.3-78.4000114.3D366 I437 R440 Q441 D476D366-Y368 VanDerWaalsContact C-N 3.25Å; D366-Y368 PolarHBondContact O-N 2.88Å; Y368-I437 VanDerWaalsContact CE2-O 3.24Å; Y368-I437 WeakPolarHBondContact CE2-O 3.31Å; Y368-I437 VanDerWaalsContact OH-CG2 3.28Å; Y368-I437 WeakPolarHBondContact OH-CG2 3.39Å; Y368-I437 PolarHBondContact OH-O 3.44Å; Y368-I437 VanDerWaalsContact OH-O 3.09Å; Y368-R440 HydrophobicContact CD2-CB 4.4Å; Y368-R440 HydrophobicContact CE2-CB 4.15Å; Y368-Q441 HydrophobicContact CD1-CG 4.37Å; Y368-Q441 HydrophobicContact CD2-CB 3.95Å; Y368-Q441 HydrophobicContact CD2-CG 4.23Å; Y368-Q441 HydrophobicContact CE1-CB 4.49Å; Y368-Q441 HydrophobicContact CE1-CG 4.26Å; Y368-Q441 HydrophobicContact CE2-CB 3.56Å; Y368-Q441 HydrophobicContact CE2-CG 4.12Å; Y368-Q441 HydrophobicContact CG-CG 4.35Å; Y368-D476 WeakPolarHBondContact CE1-O 3.45Å
369G87.1Confident90.2Very high29 Ų2958.7 Ų58.730%0.29928%0.279SS..EExtended strand (participates in β ladder)trans165.2-150.8-175.900000114.4F365 D366F365-G369 CarbonylContact C-O 3.59Å; F365-G369 WeakPolarHBondContact CA-O 3.28Å; F365-G369 WeakPolarHBondContact CD1-O 3.24Å; D366-G369 PolarHBondContact N-O 2.94Å
370K89.8Confident89.9Confident118 Ų11862.7 Ų62.751%0.51330%0.298SS..EExtended strand (participates in β ladder)trans-78.9134.1177-68.4-61.8-174.3-175.50110.7F365 Q372F365-K370 HydrophobicContact CD1-CD 4.04Å; F365-K370 HydrophobicContact CE1-CD 3.96Å; F365-K370 VanDerWaalsContact CE1-NZ 3.35Å; F365-K370 VanDerWaalsContact CE2-NZ 3.28Å; F365-K370 HydrophobicContact CZ-CD 4.41Å; K370-Q372 PolarHBondContact O-N 2.86Å; K370-Q372 PolarHBondContact O-NE2 3.04Å
371Y91.3Very high89.6Confident9 Ų964.1 Ų64.14%0.03530%0.303CS..PPolyproline II helixtrans-61.3125.8174.9176.2-98.6000110.1F364 R374 E383 Y384 F387F364-Y371 PolarHBondContact O-N 3.15Å; Y371-R374 PolarHBondContact OH-NE 3.33Å; Y371-R374 VanDerWaalsContact OH-NE 3.07Å; Y371-E383 PolarHBondContact OH-OE1 2.94Å; Y371-Y384 AromaticContact CD1-CD2 3.79Å; Y371-Y384 HydrophobicContact CD1-CD2 3.79Å; Y371-Y384 HydrophobicContact CD2-CD2 4.16Å; Y371-Y384 HydrophobicContact CD2-CE2 4.36Å; Y371-Y384 HydrophobicContact CE1-CD2 4.36Å; Y371-Y384 AromaticContact CG-CD2 3.69Å; Y371-Y384 HydrophobicContact CG-CD2 3.69Å; Y371-Y384 AromaticContact CG-CE2 4Å; Y371-Y384 HydrophobicContact CG-CE2 4Å; Y371-F387 HydrophobicContact CD2-CB 4.35Å; Y371-F387 AromaticContact CD2-CD1 3.61Å; Y371-F387 HydrophobicContact CD2-CD1 3.61Å; Y371-F387 HydrophobicContact CD2-CD2 4.27Å; Y371-F387 AromaticContact CD2-CE1 3.9Å; Y371-F387 HydrophobicContact CD2-CE1 3.9Å; Y371-F387 AromaticContact CD2-CG 3.8Å; Y371-F387 HydrophobicContact CD2-CG 3.8Å; Y371-F387 HydrophobicContact CD2-CZ 4.35Å; Y371-F387 HydrophobicContact CE2-CB 3.64Å; Y371-F387 AromaticContact CE2-CD1 3.77Å; Y371-F387 HydrophobicContact CE2-CD1 3.77Å; Y371-F387 AromaticContact CE2-CD2 3.81Å; Y371-F387 HydrophobicContact CE2-CD2 3.81Å; Y371-F387 HydrophobicContact CE2-CE1 4.38Å; Y371-F387 HydrophobicContact CE2-CE2 4.42Å; Y371-F387 AromaticContact CE2-CG 3.43Å; Y371-F387 HydrophobicContact CE2-CG 3.43Å; Y371-F387 VanDerWaalsContact CE2-CG 3.43Å; Y371-F387 HydrophobicContact CG-CD1 4.46Å
372Q88.6Confident89.5Confident130 Ų13065.2 Ų65.261%0.60731%0.308SS*.PPolyproline II helixtrans-94.4128.7174.8-62.5-56.5-41.900109.5K370 R374K370-Q372 PolarHBondContact O-N 2.86Å; K370-Q372 PolarHBondContact O-NE2 3.04Å; Q372-R374 PolarHBondContact O-N 3.12Å
373R86.8Confident89.7Confident97 Ų9764.5 Ų64.537%0.36630%0.303SS..PPolyproline II helixtrans-64.6135177.9-66.1-164.270.3-173.4-1.3110.3Q375 K378 Q380 E383R373-Q375 PolarHBondContact NE-O 3.04Å; R373-Q375 PolarHBondContact NH2-O 3.06Å; R373-K378 PolarHBondContact NH2-O 2.82Å; R373-Q380 HydrophobicContact CG-CG 4.14Å; R373-E383 WeakPolarHBondContact CA-OE1 3.42Å; R373-E383 IonicContact CZ-OE2 2.79Å; R373-E383 VanDerWaalsContact CZ-OE2 3.27Å; R373-E383 IonicContact NE-OE2 2.66Å; R373-E383 PolarHBondContact NE-OE2 2.72Å; R373-E383 IonicContact NH2-OE2 3.65Å; R373-E383 PolarHBondContact NH2-OE2 3.14Å
374R86.9Confident89.9Confident122 Ų12262.6 Ų62.646%0.4629%0.29SS..  trans-94-25.1179.8-63.8-177.7-82.1178.8-1.8112.4Y371 Q372 E383 E390Y371-R374 PolarHBondContact OH-NE 3.33Å; Y371-R374 VanDerWaalsContact OH-NE 3.07Å; Q372-R374 PolarHBondContact O-N 3.12Å; R374-E383 PolarHBondContact N-OE1 3.12Å; R374-E390 IonicContact CZ-OE2 2.82Å; R374-E390 VanDerWaalsContact CZ-OE2 3.23Å; R374-E390 IonicContact NH1-OE1 2.95Å; R374-E390 PolarHBondContact NH1-OE1 3.22Å; R374-E390 IonicContact NH1-OE2 3.27Å; R374-E390 PolarHBondContact NH1-OE2 3.41Å; R374-E390 IonicContact NH2-OE2 2.81Å; R374-E390 PolarHBondContact NH2-OE2 2.72Å
375Q82.3Confident90.1Very high81 Ų8160.9 Ų60.938%0.37928%0.283SS..  trans-150.7163.9-179.557.1170.2-17.400112.6R373 E383R373-Q375 PolarHBondContact NE-O 3.04Å; R373-Q375 PolarHBondContact NH2-O 3.06Å; Q375-E383 HydrophobicContact CG-CG 4.38Å
376C83.3Confident90.2Very high115 Ų11561.2 Ų61.278%0.77729%0.286SS*.SBendtrans-107.7-0.9178.659.50000114.7
377R85.4Confident90.3Very high227 Ų22760.9 Ų60.986%0.85728%0.284SS*.SBendtrans-71.9-27.4-175.2-67.6-177.2178.11790.1114.7
378K87.4Confident90.6Very high79 Ų7960.8 Ų60.834%0.34328%0.284SS..SBendtrans-108.7165.6179.5-60.9-170.7-175.9-177.10111R373 K382 D386R373-K378 PolarHBondContact NH2-O 2.82Å; K378-K382 HydrophobicContact CD-CG 4.05Å; K378-D386 WeakPolarHBondContact CD-OD2 3.35Å; K378-D386 IonicContact NZ-OD2 2.71Å; K378-D386 PolarHBondContact NZ-OD2 3.15Å
379S89.3Confident91.1Very high44 Ų4459.7 Ų59.731%0.30829%0.285SS..  trans-60.1148165.366.70000111.2E202 Y381 K382 E383E202-S379 PolarHBondContact OE1-N 3.47Å; E202-S379 WeakPolarHBondContact OE2-CB 3.41Å; E202-S379 PolarHBondContact OE2-OG 3.49Å; S379-Y381 PolarHBondContact O-N 2.87Å; S379-K382 PolarHBondContact O-N 2.84Å; S379-K382 WeakPolarHBondContact OG-CB 3.5Å; S379-K382 PolarHBondContact OG-N 3.02Å; S379-E383 PolarHBondContact O-N 3.4Å
380Q91.3Very high91.6Very high85 Ų8560.8 Ų60.840%0.39728%0.282SS..Hα-helixtrans-57.1-35.4177.3-18017636.200111.6F364 R373 Y384F364-Q380 VanDerWaalsContact CD2-CD 3.47Å; F364-Q380 HydrophobicContact CD2-CG 3.88Å; F364-Q380 HydrophobicContact CE2-CG 3.6Å; F364-Q380 VanDerWaalsContact CE2-OE1 3.3Å; F364-Q380 HydrophobicContact CZ-CG 4.08Å; R373-Q380 HydrophobicContact CG-CG 4.14Å; Q380-Y384 WeakPolarHBondContact O-CB 3.2Å; Q380-Y384 PolarHBondContact O-N 3.39Å; Q380-Y384 VanDerWaalsContact O-N 3.09Å
381Y93.3Very high91.9Very high29 Ų2955.2 Ų55.211%0.11426%0.258CS..Hα-helixtrans-69.1-47.6178.9-176.3-135000111.9F203 F364 S379 E383 Y384 I385 K410 R411 V412F203-Y381 HydrophobicContact CE1-CD1 4.23Å; F203-Y381 HydrophobicContact CE1-CE1 4.35Å; F203-Y381 HydrophobicContact CE2-CD1 4.28Å; F203-Y381 AromaticContact CZ-CD1 3.59Å; F203-Y381 HydrophobicContact CZ-CD1 3.59Å; F203-Y381 HydrophobicContact CZ-CE1 4.07Å; F203-Y381 HydrophobicContact CZ-CG 4.37Å; F364-Y381 HydrophobicContact CE1-CD2 4.03Å; F364-Y381 HydrophobicContact CZ-CD2 4.47Å; S379-Y381 PolarHBondContact O-N 2.87Å; Y381-E383 VanDerWaalsContact C-N 3.34Å; Y381-E383 PolarHBondContact O-N 3.3Å; Y381-Y384 PolarHBondContact O-N 3.29Å; Y381-Y384 VanDerWaalsContact O-N 3.15Å; Y381-I385 HydrophobicContact CD2-CD1 4.48Å; Y381-I385 HydrophobicContact CD2-CG1 4.28Å; Y381-I385 HydrophobicContact CE2-CD1 3.77Å; Y381-I385 HydrophobicContact CE2-CG1 3.97Å; Y381-I385 WeakPolarHBondContact O-CG1 3.34Å; Y381-I385 PolarHBondContact O-N 3.09Å; Y381-K410 HydrophobicContact CD2-CG 4.39Å; Y381-K410 HydrophobicContact CE1-CB 4.48Å; Y381-K410 HydrophobicContact CE2-CB 4.03Å; Y381-K410 HydrophobicContact CE2-CG 4.1Å; Y381-K410 VanDerWaalsContact OH-CA 3.28Å; Y381-K410 WeakPolarHBondContact OH-CA 3.43Å; Y381-R411 PolarHBondContact OH-N 2.91Å; Y381-R411 VanDerWaalsContact OH-N 3.14Å; Y381-V412 HydrophobicContact CE1-CB 4.21Å; Y381-V412 HydrophobicContact CE1-CG2 3.74Å; Y381-V412 WeakPolarHBondContact OH-CB 3.46Å; Y381-V412 PolarHBondContact OH-N 3.38Å; Y381-V412 PolarHBondContact OH-O 2.95Å
382K94.1Very high92.3Very high23 Ų2354.8 Ų54.810%0.126%0.256CS..Hα-helixtrans-61.6-43.5177.8179.556.3-178.9144.40111.8E202 F203 K378 S379 Y384 I385 D386 E401E202-K382 HydrophobicContact CB-CG 4.3Å; E202-K382 WeakPolarHBondContact O-CE 3.26Å; F203-K382 HydrophobicContact CD1-CD 3.78Å; F203-K382 HydrophobicContact CE1-CB 3.86Å; F203-K382 HydrophobicContact CE1-CD 3.43Å; F203-K382 VanDerWaalsContact CE1-CD 3.43Å; F203-K382 HydrophobicContact CE1-CG 4.2Å; F203-K382 HydrophobicContact CZ-CB 3.67Å; F203-K382 HydrophobicContact CZ-CD 4.12Å; F203-K382 HydrophobicContact CZ-CG 4.42Å; K378-K382 HydrophobicContact CD-CG 4.05Å; S379-K382 PolarHBondContact O-N 2.84Å; S379-K382 WeakPolarHBondContact OG-CB 3.5Å; S379-K382 PolarHBondContact OG-N 3.02Å; K382-Y384 PolarHBondContact O-N 3.38Å; K382-I385 PolarHBondContact O-N 3.49Å; K382-I385 VanDerWaalsContact O-N 3.15Å; K382-D386 WeakPolarHBondContact CE-OD1 3.36Å; K382-D386 IonicContact NZ-OD1 2.67Å; K382-D386 PolarHBondContact NZ-OD1 3.05Å; K382-D386 VanDerWaalsContact O-CG 3.28Å; K382-D386 PolarHBondContact O-N 3.28Å; K382-E401 IonicContact NZ-OE2 3.17Å; K382-E401 PolarHBondContact NZ-OE2 3.34Å
383E94.5Very high92.7Very high4 Ų455 Ų552%0.01926%0.257CS..Hα-helixtrans-60.3-36.2176.7-166.5-161.9142.500112.3Y371 R373 R374 Q375 S379 Y381 D386 F387Y371-E383 PolarHBondContact OH-OE1 2.94Å; R373-E383 WeakPolarHBondContact CA-OE1 3.42Å; R373-E383 IonicContact CZ-OE2 2.79Å; R373-E383 VanDerWaalsContact CZ-OE2 3.27Å; R373-E383 IonicContact NE-OE2 2.66Å; R373-E383 PolarHBondContact NE-OE2 2.72Å; R373-E383 IonicContact NH2-OE2 3.65Å; R373-E383 PolarHBondContact NH2-OE2 3.14Å; R374-E383 PolarHBondContact N-OE1 3.12Å; Q375-E383 HydrophobicContact CG-CG 4.38Å; S379-E383 PolarHBondContact O-N 3.4Å; Y381-E383 VanDerWaalsContact C-N 3.34Å; Y381-E383 PolarHBondContact O-N 3.3Å; E383-D386 PolarHBondContact O-N 2.95Å; E383-F387 PolarHBondContact O-N 3.44Å
384Y96.1Very high93.2Very high0 Ų052.2 Ų52.20%025%0.251CS..Hα-helixtrans-70.9-38.6175.3-173.3-113.1000112.6T341 P361 C363 F364 F365 Y371 Q380 Y381 K382 D386 F387 I388T341-Y384 HydrophobicContact CG2-CE1 4.46Å; P361-Y384 HydrophobicContact CB-CD1 4.08Å; P361-Y384 HydrophobicContact CB-CE1 3.73Å; C363-Y384 WeakPolarHBondContact O-CE1 3.29Å; C363-Y384 PolarHBondContact O-OH 3.07Å; F364-Y384 HydrophobicContact CB-CD2 4.24Å; F364-Y384 HydrophobicContact CB-CE2 4.33Å; F364-Y384 AromaticContact CD1-CD1 3.44Å; F364-Y384 HydrophobicContact CD1-CD1 3.44Å; F364-Y384 VanDerWaalsContact CD1-CD1 3.44Å; F364-Y384 HydrophobicContact CD1-CD2 4.05Å; F364-Y384 AromaticContact CD1-CE1 3.93Å; F364-Y384 HydrophobicContact CD1-CE1 3.93Å; F364-Y384 AromaticContact CD1-CG 3.47Å; F364-Y384 HydrophobicContact CD1-CG 3.47Å; F364-Y384 VanDerWaalsContact CD1-CG 3.47Å; F364-Y384 AromaticContact CE1-CD1 3.92Å; F364-Y384 HydrophobicContact CE1-CD1 3.92Å; F364-Y384 HydrophobicContact CE1-CG 4.09Å; F364-Y384 HydrophobicContact CG-CG 4.34Å; F365-Y384 PolarHBondContact N-OH 3.05Å; F365-Y384 VanDerWaalsContact O-CE2 3.26Å; F365-Y384 WeakPolarHBondContact O-CE2 3.28Å; F365-Y384 PolarHBondContact O-OH 3.45Å; Y371-Y384 AromaticContact CD1-CD2 3.79Å; Y371-Y384 HydrophobicContact CD1-CD2 3.79Å; Y371-Y384 HydrophobicContact CD2-CD2 4.16Å; Y371-Y384 HydrophobicContact CD2-CE2 4.36Å; Y371-Y384 HydrophobicContact CE1-CD2 4.36Å; Y371-Y384 AromaticContact CG-CD2 3.69Å; Y371-Y384 HydrophobicContact CG-CD2 3.69Å; Y371-Y384 AromaticContact CG-CE2 4Å; Y371-Y384 HydrophobicContact CG-CE2 4Å; Q380-Y384 WeakPolarHBondContact O-CB 3.2Å; Q380-Y384 PolarHBondContact O-N 3.39Å; Q380-Y384 VanDerWaalsContact O-N 3.09Å; Y381-Y384 PolarHBondContact O-N 3.29Å; Y381-Y384 VanDerWaalsContact O-N 3.15Å; K382-Y384 PolarHBondContact O-N 3.38Å; Y384-D386 VanDerWaalsContact C-N 3.3Å; Y384-D386 PolarHBondContact O-N 3.44Å; Y384-F387 AromaticContact CD2-CD1 3.85Å; Y384-F387 HydrophobicContact CD2-CD1 3.85Å; Y384-F387 AromaticContact CE2-CD1 3.64Å; Y384-F387 HydrophobicContact CE2-CD1 3.64Å; Y384-F387 HydrophobicContact CE2-CE1 4.02Å; Y384-F387 WeakPolarHBondContact O-CB 3.48Å; Y384-F387 PolarHBondContact O-N 2.96Å; Y384-I388 HydrophobicContact CD1-CG1 4.48Å; Y384-I388 HydrophobicContact CE1-CD1 4.43Å; Y384-I388 HydrophobicContact CE1-CG1 4.16Å; Y384-I388 HydrophobicContact CE2-CD1 4.27Å; Y384-I388 WeakPolarHBondContact O-CG1 3.32Å; Y384-I388 PolarHBondContact O-N 3.48Å
385I96.8Very high93.6Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-59.9-43.1171-64.6-57000110.5F203 P361 Y381 K382 F387 I388 A389 E401 V412 L414F203-I385 HydrophobicContact CE1-CG1 4.21Å; P361-I385 HydrophobicContact CB-CD1 4.12Å; P361-I385 HydrophobicContact CG-CD1 3.75Å; Y381-I385 HydrophobicContact CD2-CD1 4.48Å; Y381-I385 HydrophobicContact CD2-CG1 4.28Å; Y381-I385 HydrophobicContact CE2-CD1 3.77Å; Y381-I385 HydrophobicContact CE2-CG1 3.97Å; Y381-I385 WeakPolarHBondContact O-CG1 3.34Å; Y381-I385 PolarHBondContact O-N 3.09Å; K382-I385 PolarHBondContact O-N 3.49Å; K382-I385 VanDerWaalsContact O-N 3.15Å; I385-F387 VanDerWaalsContact C-N 3.28Å; I385-F387 PolarHBondContact O-N 3.15Å; I385-I388 PolarHBondContact O-N 3.04Å; I385-A389 PolarHBondContact O-N 2.67Å; I385-E401 HydrophobicContact CG2-CG 4.39Å; I385-E401 WeakPolarHBondContact CG2-OE2 3.39Å; I385-V412 HydrophobicContact CD1-CB 4.01Å; I385-V412 HydrophobicContact CD1-CG1 4.08Å; I385-V412 HydrophobicContact CG1-CB 4.12Å; I385-V412 HydrophobicContact CG1-CG1 4.04Å; I385-V412 HydrophobicContact CG2-CG1 3.91Å; I385-L414 HydrophobicContact CD1-CD1 4.15Å; I385-L414 HydrophobicContact CG2-CD1 4.29Å
386D95.9Very high94.4Very high38 Ų3842.8 Ų42.820%0.20321%0.213CC..Hα-helixtrans-60.5-38.6175.6-65.2-16.8000111.6K378 K382 E383 Y384 A389 E390K378-D386 WeakPolarHBondContact CD-OD2 3.35Å; K378-D386 IonicContact NZ-OD2 2.71Å; K378-D386 PolarHBondContact NZ-OD2 3.15Å; K382-D386 WeakPolarHBondContact CE-OD1 3.36Å; K382-D386 IonicContact NZ-OD1 2.67Å; K382-D386 PolarHBondContact NZ-OD1 3.05Å; K382-D386 VanDerWaalsContact O-CG 3.28Å; K382-D386 PolarHBondContact O-N 3.28Å; E383-D386 PolarHBondContact O-N 2.95Å; Y384-D386 VanDerWaalsContact C-N 3.3Å; Y384-D386 PolarHBondContact O-N 3.44Å; D386-A389 PolarHBondContact O-N 3.17Å; D386-E390 WeakPolarHBondContact O-CB 3.42Å; D386-E390 PolarHBondContact O-N 2.8Å
387F96.9Very high95.1Very high0 Ų037.4 Ų37.40%018%0.176CC..Hα-helixtrans-63.1-44.8173.8165.1-113.3000112.5P342 F367 Y371 E383 Y384 I385 A389 E390 V391P342-F387 HydrophobicContact CB-CE1 4.22Å; P342-F387 HydrophobicContact CB-CZ 4.38Å; F367-F387 HydrophobicContact CE2-CZ 4.37Å; Y371-F387 HydrophobicContact CD2-CB 4.35Å; Y371-F387 AromaticContact CD2-CD1 3.61Å; Y371-F387 HydrophobicContact CD2-CD1 3.61Å; Y371-F387 HydrophobicContact CD2-CD2 4.27Å; Y371-F387 AromaticContact CD2-CE1 3.9Å; Y371-F387 HydrophobicContact CD2-CE1 3.9Å; Y371-F387 AromaticContact CD2-CG 3.8Å; Y371-F387 HydrophobicContact CD2-CG 3.8Å; Y371-F387 HydrophobicContact CD2-CZ 4.35Å; Y371-F387 HydrophobicContact CE2-CB 3.64Å; Y371-F387 AromaticContact CE2-CD1 3.77Å; Y371-F387 HydrophobicContact CE2-CD1 3.77Å; Y371-F387 AromaticContact CE2-CD2 3.81Å; Y371-F387 HydrophobicContact CE2-CD2 3.81Å; Y371-F387 HydrophobicContact CE2-CE1 4.38Å; Y371-F387 HydrophobicContact CE2-CE2 4.42Å; Y371-F387 AromaticContact CE2-CG 3.43Å; Y371-F387 HydrophobicContact CE2-CG 3.43Å; Y371-F387 VanDerWaalsContact CE2-CG 3.43Å; Y371-F387 HydrophobicContact CG-CD1 4.46Å; E383-F387 PolarHBondContact O-N 3.44Å; Y384-F387 AromaticContact CD2-CD1 3.85Å; Y384-F387 HydrophobicContact CD2-CD1 3.85Å; Y384-F387 AromaticContact CE2-CD1 3.64Å; Y384-F387 HydrophobicContact CE2-CD1 3.64Å; Y384-F387 HydrophobicContact CE2-CE1 4.02Å; Y384-F387 WeakPolarHBondContact O-CB 3.48Å; Y384-F387 PolarHBondContact O-N 2.96Å; I385-F387 VanDerWaalsContact C-N 3.28Å; I385-F387 PolarHBondContact O-N 3.15Å; F387-A389 VanDerWaalsContact C-N 3.3Å; F387-A389 PolarHBondContact O-N 3.46Å; F387-E390 WeakPolarHBondContact O-CB 3.49Å; F387-E390 PolarHBondContact O-N 3.09Å; F387-V391 HydrophobicContact CD2-CG2 4.18Å; F387-V391 HydrophobicContact CE1-CG2 4.39Å; F387-V391 HydrophobicContact CE2-CG2 3.68Å; F387-V391 HydrophobicContact CZ-CG2 3.8Å; F387-V391 WeakPolarHBondContact O-CG2 3.3Å; F387-V391 PolarHBondContact O-N 2.82Å
388I98.1Very high95.6Very high0 Ų030.3 Ų30.30%016%0.155CC..Hα-helixtrans-67.5-34.1177.3-57.8-57.4000111.2T341 P342 P361 Y384 I385 V391 S392 L414T341-I388 HydrophobicContact CG2-CD1 3.8Å; T341-I388 HydrophobicContact CG2-CG1 4.05Å; P342-I388 HydrophobicContact CB-CD1 4.04Å; P361-I388 HydrophobicContact CG-CG1 4.3Å; Y384-I388 HydrophobicContact CD1-CG1 4.48Å; Y384-I388 HydrophobicContact CE1-CD1 4.43Å; Y384-I388 HydrophobicContact CE1-CG1 4.16Å; Y384-I388 HydrophobicContact CE2-CD1 4.27Å; Y384-I388 WeakPolarHBondContact O-CG1 3.32Å; Y384-I388 PolarHBondContact O-N 3.48Å; I385-I388 PolarHBondContact O-N 3.04Å; I388-V391 PolarHBondContact O-N 2.95Å; I388-S392 WeakPolarHBondContact O-CB 3.1Å; I388-S392 PolarHBondContact O-N 2.81Å; I388-L414 HydrophobicContact CB-CD1 4.06Å; I388-L414 HydrophobicContact CB-CD2 4.37Å; I388-L414 HydrophobicContact CG2-CD1 3.8Å; I388-L414 HydrophobicContact CG2-CD2 4.21Å
389A97.6Very high96.1Very high24 Ų2428.2 Ų28.220%0.19815%0.149CC..Hα-helixtrans-63.4-42.7172.300000111.8I385 D386 F387 S392 Q393 L414I385-A389 PolarHBondContact O-N 2.67Å; D386-A389 PolarHBondContact O-N 3.17Å; F387-A389 VanDerWaalsContact C-N 3.3Å; F387-A389 PolarHBondContact O-N 3.46Å; A389-S392 WeakPolarHBondContact O-CB 3.34Å; A389-S392 PolarHBondContact O-N 2.93Å; A389-Q393 WeakPolarHBondContact O-CG 3.43Å; A389-Q393 PolarHBondContact O-N 2.71Å; A389-L414 HydrophobicContact CB-CD2 3.67Å
390E97.2Very high96.5Very high52 Ų5229.3 Ų29.324%0.24315%0.149CC..Hα-helixtrans-59.9-46.9174.1-178.3-170.614900111.3R374 D386 F387 S392 Q393 V394 Y436R374-E390 IonicContact CZ-OE2 2.82Å; R374-E390 VanDerWaalsContact CZ-OE2 3.23Å; R374-E390 IonicContact NH1-OE1 2.95Å; R374-E390 PolarHBondContact NH1-OE1 3.22Å; R374-E390 IonicContact NH1-OE2 3.27Å; R374-E390 PolarHBondContact NH1-OE2 3.41Å; R374-E390 IonicContact NH2-OE2 2.81Å; R374-E390 PolarHBondContact NH2-OE2 2.72Å; D386-E390 WeakPolarHBondContact O-CB 3.42Å; D386-E390 PolarHBondContact O-N 2.8Å; F387-E390 WeakPolarHBondContact O-CB 3.49Å; F387-E390 PolarHBondContact O-N 3.09Å; E390-S392 VanDerWaalsContact C-N 3.27Å; E390-S392 PolarHBondContact O-N 3.48Å; E390-Q393 PolarHBondContact O-N 3.02Å; E390-V394 WeakPolarHBondContact O-CG2 3.47Å; E390-V394 PolarHBondContact O-N 3Å; E390-Y436 HydrophobicContact CG-CE2 4.44Å; E390-Y436 VanDerWaalsContact OE1-CE2 3.3Å; E390-Y436 WeakPolarHBondContact OE1-CE2 3.18Å; E390-Y436 PolarHBondContact OE1-OH 3.48Å
391V97.8Very high96.7Very high1 Ų126.9 Ų26.91%0.00614%0.138CC..Hα-helixtrans-56.3-44.1174170.40000110.9P342 P345 V346 F367 F387 I388 V394 C395 Y436P342-V391 WeakPolarHBondContact O-CG1 3.42Å; P345-V391 HydrophobicContact CB-CG1 4.44Å; P345-V391 HydrophobicContact CG-CG1 4.39Å; V346-V391 HydrophobicContact CG2-CG1 4.47Å; F367-V391 HydrophobicContact CE1-CG1 4.47Å; F367-V391 HydrophobicContact CE2-CG2 3.93Å; F367-V391 HydrophobicContact CZ-CB 4.45Å; F367-V391 HydrophobicContact CZ-CG1 3.73Å; F367-V391 HydrophobicContact CZ-CG2 3.82Å; F387-V391 HydrophobicContact CD2-CG2 4.18Å; F387-V391 HydrophobicContact CE1-CG2 4.39Å; F387-V391 HydrophobicContact CE2-CG2 3.68Å; F387-V391 HydrophobicContact CZ-CG2 3.8Å; F387-V391 WeakPolarHBondContact O-CG2 3.3Å; F387-V391 PolarHBondContact O-N 2.82Å; I388-V391 PolarHBondContact O-N 2.95Å; V391-V394 PolarHBondContact O-N 2.84Å; V391-C395 PolarHBondContact O-N 3.46Å; V391-C395 PolarHBondContact O-SG 3.01Å; V391-Y436 HydrophobicContact CG2-CE1 4.06Å
392S98Very high96.9Very high0 Ų025.5 Ų25.50%013%0.132CC..Hα-helixtrans-64.7-41.1179-168.20000113.1F357 I388 A389 E390 C395 G396 F397 T399F357-S392 WeakPolarHBondContact CE1-OG 3.47Å; F357-S392 WeakPolarHBondContact CZ-OG 3.35Å; I388-S392 WeakPolarHBondContact O-CB 3.1Å; I388-S392 PolarHBondContact O-N 2.81Å; A389-S392 WeakPolarHBondContact O-CB 3.34Å; A389-S392 PolarHBondContact O-N 2.93Å; E390-S392 VanDerWaalsContact C-N 3.27Å; E390-S392 PolarHBondContact O-N 3.48Å; S392-C395 CarbonylContact O-C 3.6Å; S392-C395 WeakPolarHBondContact O-CA 3.47Å; S392-C395 WeakPolarHBondContact O-CB 3.38Å; S392-C395 PolarHBondContact O-N 3.13Å; S392-C395 VanDerWaalsContact O-N 3.09Å; S392-G396 PolarHBondContact O-N 3.24Å; S392-F397 PolarHBondContact O-N 3.39Å; S392-F397 VanDerWaalsContact O-N 3.11Å; S392-F397 WeakPolarHBondContact OG-CB 3.23Å; S392-T399 WeakPolarHBondContact CB-OG1 3.05Å; S392-T399 PolarHBondContact OG-OG1 2.9Å
393Q97.3Very high97Very high133 Ų13324.6 Ų24.662%0.62113%0.129SC*.Hα-helixtrans-63.4-43175.5-74173-5.800111.8A389 E390 C395 G396A389-Q393 WeakPolarHBondContact O-CG 3.43Å; A389-Q393 PolarHBondContact O-N 2.71Å; E390-Q393 PolarHBondContact O-N 3.02Å; Q393-C395 PolarHBondContact O-N 3.48Å; Q393-G396 WeakPolarHBondContact O-CA 3.22Å; Q393-G396 PolarHBondContact O-N 3.03Å
394V97Very high97.1Very high39 Ų3924.5 Ų24.524%0.23613%0.129CC..Hα-helixtrans-61.1-34.7172.5169.30000111E390 V391 G396 R433 Y436E390-V394 WeakPolarHBondContact O-CG2 3.47Å; E390-V394 PolarHBondContact O-N 3Å; V391-V394 PolarHBondContact O-N 2.84Å; V394-G396 PolarHBondContact O-N 3.25Å; V394-R433 HydrophobicContact CG1-CG 4.27Å; V394-R433 VanDerWaalsContact O-CG 3.27Å; V394-R433 WeakPolarHBondContact O-CG 3.24Å; V394-Y436 HydrophobicContact CB-CD1 4.38Å; V394-Y436 HydrophobicContact CB-CG 4.33Å; V394-Y436 HydrophobicContact CG1-CD1 3.96Å; V394-Y436 HydrophobicContact CG1-CD2 4.45Å; V394-Y436 HydrophobicContact CG1-CG 3.76Å; V394-Y436 HydrophobicContact CG2-CD1 4.24Å; V394-Y436 HydrophobicContact CG2-CD2 3.81Å; V394-Y436 HydrophobicContact CG2-CE1 4.46Å; V394-Y436 HydrophobicContact CG2-CE2 4.04Å; V394-Y436 HydrophobicContact CG2-CG 3.91Å
395C97.3Very high96.9Very high2 Ų227.7 Ų27.71%0.01414%0.141CC..THydrogen-bonded Turntrans-71.4-2.9172.7-64.30000113.9P345 A349 V391 S392 Q393 F397P345-C395 HydrophobicContact CB-CB 4.32Å; A349-C395 HydrophobicContact CB-CB 4.13Å; V391-C395 PolarHBondContact O-N 3.46Å; V391-C395 PolarHBondContact O-SG 3.01Å; S392-C395 CarbonylContact O-C 3.6Å; S392-C395 WeakPolarHBondContact O-CA 3.47Å; S392-C395 WeakPolarHBondContact O-CB 3.38Å; S392-C395 PolarHBondContact O-N 3.13Å; S392-C395 VanDerWaalsContact O-N 3.09Å; Q393-C395 PolarHBondContact O-N 3.48Å; C395-F397 HydrophobicContact CB-CD2 3.75Å; C395-F397 HydrophobicContact CB-CE2 4.14Å
396G97.3Very high96.7Very high3 Ų328.5 Ų28.53%0.03115%0.145CC..THydrogen-bonded Turntrans70.232.4178.600000113.3S392 Q393 V394 R419 T420 Y421S392-G396 PolarHBondContact O-N 3.24Å; Q393-G396 WeakPolarHBondContact O-CA 3.22Å; Q393-G396 PolarHBondContact O-N 3.03Å; V394-G396 PolarHBondContact O-N 3.25Å; G396-R419 CarbonylContact O-C 3.58Å; G396-R419 VanDerWaalsContact O-CA 3.28Å; G396-R419 WeakPolarHBondContact O-CA 3.41Å; G396-T420 PolarHBondContact O-N 3.4Å; G396-T420 PolarHBondContact O-OG1 3.39Å; G396-Y421 WeakPolarHBondContact O-CE1 3.31Å
397F98.3Very high96.2Very high3 Ų330.6 Ų30.61%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-94.8137173.2-79.8-87.8000112.2P345 A348 A349 C355 F357 S392 C395 T399 S418 R419P345-F397 WeakPolarHBondContact O-CE2 3.05Å; A348-F397 HydrophobicContact CB-CE2 4.28Å; A348-F397 HydrophobicContact CB-CZ 3.74Å; A349-F397 HydrophobicContact CB-CE2 3.88Å; C355-F397 VanDerWaalsContact O-CE1 3.3Å; C355-F397 WeakPolarHBondContact O-CE1 3.26Å; C355-F397 WeakPolarHBondContact O-CZ 3.46Å; F357-F397 HydrophobicContact CD1-CD1 4.02Å; F357-F397 AromaticContact CD1-CD2 3.99Å; F357-F397 HydrophobicContact CD1-CD2 3.99Å; F357-F397 AromaticContact CD1-CE1 3.74Å; F357-F397 HydrophobicContact CD1-CE1 3.74Å; F357-F397 AromaticContact CD1-CE2 3.73Å; F357-F397 HydrophobicContact CD1-CE2 3.73Å; F357-F397 HydrophobicContact CD1-CG 4.12Å; F357-F397 AromaticContact CD1-CZ 3.59Å; F357-F397 HydrophobicContact CD1-CZ 3.59Å; F357-F397 HydrophobicContact CE1-CB 4.1Å; F357-F397 AromaticContact CE1-CD1 3.91Å; F357-F397 HydrophobicContact CE1-CD1 3.91Å; F357-F397 AromaticContact CE1-CD2 3.65Å; F357-F397 HydrophobicContact CE1-CD2 3.65Å; F357-F397 HydrophobicContact CE1-CE1 4.12Å; F357-F397 AromaticContact CE1-CE2 3.88Å; F357-F397 HydrophobicContact CE1-CE2 3.88Å; F357-F397 AromaticContact CE1-CG 3.65Å; F357-F397 HydrophobicContact CE1-CG 3.65Å; F357-F397 HydrophobicContact CE1-CZ 4.1Å; S392-F397 PolarHBondContact O-N 3.39Å; S392-F397 VanDerWaalsContact O-N 3.11Å; S392-F397 WeakPolarHBondContact OG-CB 3.23Å; C395-F397 HydrophobicContact CB-CD2 3.75Å; C395-F397 HydrophobicContact CB-CE2 4.14Å; F397-T399 PolarHBondContact O-N 2.71Å; F397-T399 PolarHBondContact O-OG1 2.95Å; F397-T399 VanDerWaalsContact O-OG1 3.11Å; F397-S418 CarbonylContact C-O 3.49Å; F397-S418 WeakPolarHBondContact CA-O 3.28Å; F397-R419 VanDerWaalsContact CD2-NH1 3.32Å; F397-R419 VanDerWaalsContact CG-NH1 3.29Å; F397-R419 VanDerWaalsContact CZ-NH2 3.32Å
398D96.8Very high95.8Very high78 Ų7831.5 Ų31.542%0.41717%0.167SC..EExtended strand (participates in β ladder)trans-73.7112.3157.4-179.530000108.3K417 S418 T420D398-K417 PolarHBondContact O-N 3.2Å; D398-K417 VanDerWaalsContact O-N 3.07Å; D398-S418 PolarHBondContact N-O 2.84Å; D398-T420 HydrophobicContact CB-CG2 4.03Å
399T97.1Very high95.2Very high34 Ų3437.1 Ų37.121%0.20920%0.201CC..EExtended strand (participates in β ladder)trans-120.4123-164.6-50.10000110.9F357 S392 F397 L414 V415F357-T399 HydrophobicContact CZ-CG2 4.17Å; S392-T399 WeakPolarHBondContact CB-OG1 3.05Å; S392-T399 PolarHBondContact OG-OG1 2.9Å; F397-T399 PolarHBondContact O-N 2.71Å; F397-T399 PolarHBondContact O-OG1 2.95Å; F397-T399 VanDerWaalsContact O-OG1 3.11Å; T399-L414 HydrophobicContact CG2-CB 3.99Å; T399-L414 HydrophobicContact CG2-CD2 4.08Å; T399-V415 WeakPolarHBondContact CA-O 3.31Å
400E97Very high95Very high67 Ų6739 Ų3931%0.31321%0.205SC..EExtended strand (participates in β ladder)trans-104.9142.1175.6-64-173.6111.900111.4L209 L414 V415 K417L209-E400 HydrophobicContact CD1-CB 3.61Å; L209-E400 HydrophobicContact CD2-CB 4.02Å; L209-E400 HydrophobicContact CD2-CG 4.43Å; L209-E400 HydrophobicContact CG-CB 4.48Å; E400-L414 WeakPolarHBondContact O-CA 3.38Å; E400-V415 PolarHBondContact N-O 2.94Å; E400-V415 PolarHBondContact O-N 3.48Å; E400-K417 VanDerWaalsContact OE2-CD 3.27Å; E400-K417 WeakPolarHBondContact OE2-CD 3.42Å; E400-K417 WeakPolarHBondContact OE2-CE 3.43Å; E400-K417 IonicContact OE2-NZ 2.79Å; E400-K417 PolarHBondContact OE2-NZ 3.06Å
401E96.9Very high94.9Very high34 Ų3441.5 Ų41.516%0.15921%0.212CC..EExtended strand (participates in β ladder)trans-98.9135.2174.3-173.9-168.5114.300109.3K204 K382 I385 V412 C413K204-E401 HydrophobicContact CG-CB 4.29Å; K204-E401 PolarHBondContact N-OE1 3.25Å; K382-E401 IonicContact NZ-OE2 3.17Å; K382-E401 PolarHBondContact NZ-OE2 3.34Å; I385-E401 HydrophobicContact CG2-CG 4.39Å; I385-E401 WeakPolarHBondContact CG2-OE2 3.39Å; E401-V412 HydrophobicContact CG-CG1 3.38Å; E401-C413 WeakPolarHBondContact CA-O 3.11Å
402D97.3Very high94.9Very high0 Ų041.6 Ų41.60%021%0.213CC..EExtended strand (participates in β ladder)trans-139.2159.8170.3-155.6-1000112.3L207 S208 L209 Y252 V412 C413L207-D402 WeakPolarHBondContact CA-OD2 3.18Å; L207-D402 PolarHBondContact N-OD1 2.89Å; S208-D402 PolarHBondContact N-OD1 3.46Å; S208-D402 PolarHBondContact N-OD2 3.03Å; S208-D402 PolarHBondContact OG-OD1 2.8Å; L209-D402 HydrophobicContact CB-CB 4.5Å; L209-D402 WeakPolarHBondContact CB-OD2 3.15Å; L209-D402 HydrophobicContact CD1-CB 3.79Å; L209-D402 HydrophobicContact CG-CB 3.81Å; L209-D402 PolarHBondContact N-OD2 3.11Å; Y252-D402 HydrophobicContact CE2-CB 4.45Å; Y252-D402 VanDerWaalsContact CE2-OD2 3.27Å; Y252-D402 WeakPolarHBondContact CE2-OD2 3.49Å; Y252-D402 WeakPolarHBondContact OH-CB 3.47Å; Y252-D402 PolarHBondContact OH-OD2 3.2Å; D402-V412 CarbonylContact O-C 3.57Å; D402-V412 VanDerWaalsContact O-CA 3.28Å; D402-V412 WeakPolarHBondContact O-CA 3.4Å; D402-C413 PolarHBondContact N-O 3.49Å; D402-C413 VanDerWaalsContact N-O 3.12Å; D402-C413 PolarHBondContact O-N 3.41Å
403C96.3Very high94.9Very high4 Ų441.6 Ų41.63%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-105.1121.8172.9-84.60000110.8K204 T206 L207 R411K204-C403 PolarHBondContact O-SG 2.74Å; K204-C403 VanDerWaalsContact O-SG 3.37Å; T206-C403 CarbonylContact C-O 3.59Å; T206-C403 WeakPolarHBondContact CA-O 3.24Å; T206-C403 WeakPolarHBondContact CG2-O 3.16Å; L207-C403 PolarHBondContact N-O 3.34Å; C403-R411 CarbonylContact C-O 3.55Å
404L96.4Very high95Very high2 Ų235.3 Ų35.31%0.0118%0.184CC..  trans-76.6155.2176.2-77.673.5000112.2I249 Y252 F358 L360 I406 R411 C413I249-L404 HydrophobicContact CB-CD2 4.47Å; I249-L404 HydrophobicContact CG1-CD2 3.72Å; Y252-L404 HydrophobicContact CD2-CG 4.16Å; Y252-L404 HydrophobicContact CG-CG 4.38Å; F358-L404 HydrophobicContact CE2-CD1 4.49Å; F358-L404 HydrophobicContact CZ-CD1 4.36Å; F358-L404 HydrophobicContact CZ-CD2 4.09Å; L360-L404 HydrophobicContact CD1-CD1 4.17Å; L360-L404 HydrophobicContact CD1-CD2 4.43Å; L360-L404 HydrophobicContact CD2-CD2 4.17Å; L404-I406 HydrophobicContact CB-CD1 4.35Å; L404-I406 HydrophobicContact CB-CG1 4.06Å; L404-I406 HydrophobicContact CB-CG2 4.11Å; L404-I406 HydrophobicContact CD2-CG2 4.33Å; L404-I406 PolarHBondContact O-N 3.1Å; L404-R411 WeakPolarHBondContact CD1-O 3.38Å; L404-R411 PolarHBondContact N-O 3.01Å; L404-R411 WeakPolarHBondContact O-CD 3.43Å; L404-C413 HydrophobicContact CD1-CB 3.47Å; L404-C413 VanDerWaalsContact CD1-CB 3.47Å; L404-C413 WeakPolarHBondContact CD1-SG 3.14Å
405R92.7Very high95Very high68 Ų6833.5 Ų33.526%0.25717%0.172SC..  trans-93.966.1172.1-168179.6-71.7-174.3-7.1111H32 C39 T206 L207 Y215H32-R405 PolarHBondContact NE2-NH2 2.9Å; C39-R405 VanDerWaalsContact O-CZ 3.26Å; C39-R405 PolarHBondContact O-NH1 3.35Å; C39-R405 PolarHBondContact O-NH2 3.4Å; T206-R405 HydrophobicContact CG2-CB 4.05Å; L207-R405 HydrophobicContact CD1-CB 4.28Å; Y215-R405 HydrophobicContact CE1-CB 4.37Å
406I92.6Very high95.1Very high16 Ų1633.4 Ų33.48%0.08217%0.172CC..SBendtrans-115.4159.6179.358.7173.1000111.5E245 A248 I249 L360 L404 S408 R411E245-I406 HydrophobicContact CG-CB 4.13Å; E245-I406 HydrophobicContact CG-CD1 4.36Å; E245-I406 HydrophobicContact CG-CG2 4.15Å; A248-I406 HydrophobicContact CB-CG2 3.65Å; I249-I406 HydrophobicContact CG1-CG2 4.15Å; L360-I406 HydrophobicContact CD2-CD1 3.97Å; L404-I406 HydrophobicContact CB-CD1 4.35Å; L404-I406 HydrophobicContact CB-CG1 4.06Å; L404-I406 HydrophobicContact CB-CG2 4.11Å; L404-I406 HydrophobicContact CD2-CG2 4.33Å; L404-I406 PolarHBondContact O-N 3.1Å; I406-S408 PolarHBondContact O-N 2.89Å; I406-R411 HydrophobicContact CD1-CB 3.89Å; I406-R411 HydrophobicContact CG1-CB 3.57Å
407P84.9Confident94.8Very high83 Ų8336.1 Ų36.154%0.53918%0.183SC..SBendtrans-70.6-10.3177.927.8-34000114.1K241 E245K241-P407 HydrophobicContact CG-CG 4.03Å; E245-P407 HydrophobicContact CB-CG 4.26Å
408S87.3Confident94.6Very high19 Ų1938.8 Ų38.813%0.13320%0.201CC..SBendtrans-72148.4175.7-175.40000113.7E245 I406 K410E245-S408 WeakPolarHBondContact OE2-CB 3.13Å; I406-S408 PolarHBondContact O-N 2.89Å; S408-K410 VanDerWaalsContact C-N 3.33Å; S408-K410 PolarHBondContact OG-N 2.77Å; S408-K410 PolarHBondContact OG-O 3.36Å
409T87.1Confident94.6Very high117 Ų11736.2 Ų36.272%0.71819%0.186SC*.SBendtrans-77.4-22.3167.754.40000112.3R411T409-R411 PolarHBondContact O-N 3.02Å
410K92.3Very high94.6Very high63 Ų6339.1 Ų39.127%0.27420%0.204SC..  trans-96.976.3176.1-60.6-174.7-175.2171.80109.1C362 Y381 S408C362-K410 HydrophobicContact CB-CD 4.24Å; C362-K410 WeakPolarHBondContact O-CD 3.48Å; C362-K410 VanDerWaalsContact O-CE 3.31Å; C362-K410 WeakPolarHBondContact O-CE 3.42Å; C362-K410 PolarHBondContact O-NZ 2.82Å; Y381-K410 HydrophobicContact CD2-CG 4.39Å; Y381-K410 HydrophobicContact CE1-CB 4.48Å; Y381-K410 HydrophobicContact CE2-CB 4.03Å; Y381-K410 HydrophobicContact CE2-CG 4.1Å; Y381-K410 VanDerWaalsContact OH-CA 3.28Å; Y381-K410 WeakPolarHBondContact OH-CA 3.43Å; S408-K410 VanDerWaalsContact C-N 3.33Å; S408-K410 PolarHBondContact OG-N 2.77Å; S408-K410 PolarHBondContact OG-O 3.36Å
411R95.4Very high94.6Very high106 Ų10637.2 Ų37.240%0.419%0.194SC..  trans-115.97.5-168.563.9174.4178.3-113.8-0.5114.5Y381 C403 L404 I406 T409Y381-R411 PolarHBondContact OH-N 2.91Å; Y381-R411 VanDerWaalsContact OH-N 3.14Å; C403-R411 CarbonylContact C-O 3.55Å; L404-R411 WeakPolarHBondContact CD1-O 3.38Å; L404-R411 PolarHBondContact N-O 3.01Å; L404-R411 WeakPolarHBondContact O-CD 3.43Å; I406-R411 HydrophobicContact CD1-CB 3.89Å; I406-R411 HydrophobicContact CG1-CB 3.57Å; T409-R411 PolarHBondContact O-N 3.02Å
412V97.5Very high94.6Very high2 Ų242.7 Ų42.71%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-89.4121.2-179.6-177.70000107.9F203 L360 P361 Y381 I385 E401 D402F203-V412 HydrophobicContact CB-CG2 4.32Å; F203-V412 HydrophobicContact CD1-CB 4.33Å; F203-V412 HydrophobicContact CD1-CG1 4.14Å; F203-V412 HydrophobicContact CD1-CG2 3.37Å; F203-V412 HydrophobicContact CD2-CG2 4.45Å; F203-V412 HydrophobicContact CE1-CB 4.49Å; F203-V412 HydrophobicContact CE1-CG2 3.65Å; F203-V412 HydrophobicContact CG-CG2 3.8Å; F203-V412 HydrophobicContact CZ-CG2 4.32Å; L360-V412 WeakPolarHBondContact CD1-O 3.38Å; P361-V412 WeakPolarHBondContact CD-O 3.34Å; Y381-V412 HydrophobicContact CE1-CB 4.21Å; Y381-V412 HydrophobicContact CE1-CG2 3.74Å; Y381-V412 WeakPolarHBondContact OH-CB 3.46Å; Y381-V412 PolarHBondContact OH-N 3.38Å; Y381-V412 PolarHBondContact OH-O 2.95Å; I385-V412 HydrophobicContact CD1-CB 4.01Å; I385-V412 HydrophobicContact CD1-CG1 4.08Å; I385-V412 HydrophobicContact CG1-CB 4.12Å; I385-V412 HydrophobicContact CG1-CG1 4.04Å; I385-V412 HydrophobicContact CG2-CG1 3.91Å; E401-V412 HydrophobicContact CG-CG1 3.38Å; D402-V412 CarbonylContact O-C 3.57Å; D402-V412 VanDerWaalsContact O-CA 3.28Å; D402-V412 WeakPolarHBondContact O-CA 3.4Å
413C98.2Very high94.5Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-103.5161.3172.668.40000111.5F358 V359 L360 E401 D402 L404F358-C413 HydrophobicContact CD2-CB 4.24Å; F358-C413 HydrophobicContact CE2-CB 3.46Å; F358-C413 VanDerWaalsContact CE2-CB 3.46Å; F358-C413 HydrophobicContact CZ-CB 3.64Å; V359-C413 CarbonylContact O-C 3.54Å; V359-C413 WeakPolarHBondContact O-CA 3.19Å; V359-C413 WeakPolarHBondContact O-CB 3.36Å; L360-C413 HydrophobicContact CD1-CB 4.18Å; E401-C413 WeakPolarHBondContact CA-O 3.11Å; D402-C413 PolarHBondContact N-O 3.49Å; D402-C413 VanDerWaalsContact N-O 3.12Å; D402-C413 PolarHBondContact O-N 3.41Å; L404-C413 HydrophobicContact CD1-CB 3.47Å; L404-C413 VanDerWaalsContact CD1-CB 3.47Å; L404-C413 WeakPolarHBondContact CD1-SG 3.14Å
414L98.6Very high94.5Very high2 Ų253.4 Ų53.41%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-119.4135.7167.5-59.698.1000109.2F357 V359 P361 I385 I388 A389 T399 E400F357-L414 HydrophobicContact CE2-CB 4.23Å; V359-L414 PolarHBondContact N-O 3.4Å; V359-L414 PolarHBondContact O-N 3.48Å; P361-L414 HydrophobicContact CG-CD1 3.83Å; I385-L414 HydrophobicContact CD1-CD1 4.15Å; I385-L414 HydrophobicContact CG2-CD1 4.29Å; I388-L414 HydrophobicContact CB-CD1 4.06Å; I388-L414 HydrophobicContact CB-CD2 4.37Å; I388-L414 HydrophobicContact CG2-CD1 3.8Å; I388-L414 HydrophobicContact CG2-CD2 4.21Å; A389-L414 HydrophobicContact CB-CD2 3.67Å; T399-L414 HydrophobicContact CG2-CB 3.99Å; T399-L414 HydrophobicContact CG2-CD2 4.08Å; E400-L414 WeakPolarHBondContact O-CA 3.38Å
415V98.6Very high94.5Very high0 Ų056.1 Ų56.10%029%0.292CS..EExtended strand (participates in β ladder)trans-124.2111.5-177.6-173.80000109L209 Y252 L256 W331 F357 F358 T399 E400 K417L209-V415 HydrophobicContact CD1-CG2 4.33Å; Y252-V415 HydrophobicContact CE1-CG2 4.49Å; L256-V415 HydrophobicContact CD2-CG1 3.89Å; L256-V415 HydrophobicContact CD2-CG2 4.49Å; W331-V415 HydrophobicContact CH2-CG1 3.8Å; W331-V415 HydrophobicContact CZ3-CG1 3.86Å; F357-V415 WeakPolarHBondContact O-CA 3.35Å; F358-V415 HydrophobicContact CD2-CG2 4.05Å; T399-V415 WeakPolarHBondContact CA-O 3.31Å; E400-V415 PolarHBondContact N-O 2.94Å; E400-V415 PolarHBondContact O-N 3.48Å; V415-K417 HydrophobicContact CG1-CG 3.87Å
416G97.8Very high94.6Very high0 Ų055.1 Ų55.10%029%0.29CS..EExtended strand (participates in β ladder)trans-90.9104.5173.900000110.8R356 F357R356-G416 WeakPolarHBondContact CA-O 3.04Å; R356-G416 VanDerWaalsContact CB-O 3.27Å; R356-G416 WeakPolarHBondContact CB-O 3.39Å; R356-G416 WeakPolarHBondContact CG-O 3.07Å; F357-G416 PolarHBondContact N-O 3.47Å; F357-G416 PolarHBondContact O-N 2.96Å
417K92.1Very high94.7Very high61 Ų6158.2 Ų58.227%0.26532%0.318SS..EExtended strand (participates in β ladder)trans-94.3-36-170.2-71.4-175.51741740114.5R356 D398 E400 V415R356-K417 WeakPolarHBondContact CD-O 3.37Å; R356-K417 WeakPolarHBondContact CG-O 3.34Å; R356-K417 PolarHBondContact NE-O 3.46Å; D398-K417 PolarHBondContact O-N 3.2Å; D398-K417 VanDerWaalsContact O-N 3.07Å; E400-K417 VanDerWaalsContact OE2-CD 3.27Å; E400-K417 WeakPolarHBondContact OE2-CD 3.42Å; E400-K417 WeakPolarHBondContact OE2-CE 3.43Å; E400-K417 IonicContact OE2-NZ 2.79Å; E400-K417 PolarHBondContact OE2-NZ 3.06Å; V415-K417 HydrophobicContact CG1-CG 3.87Å
418S93.9Very high95.1Very high58 Ų5860.5 Ų60.541%0.40632%0.322SS..EExtended strand (participates in β ladder)trans-149.3174.3-174.375.80000111.5F397 D398F397-S418 CarbonylContact C-O 3.49Å; F397-S418 WeakPolarHBondContact CA-O 3.28Å; D398-S418 PolarHBondContact N-O 2.84Å
419R96.9Very high95.5Very high25 Ų2561.4 Ų61.49%0.09432%0.324CS..EExtended strand (participates in β ladder)trans-96.1140.6-179.9-65-93.5173.9-84-15.2109.8S352 Y353 C355 G396 F397 Y421S352-R419 PolarHBondContact O-NH2 2.97Å; S352-R419 VanDerWaalsContact O-NH2 3.07Å; Y353-R419 HydrophobicContact CD1-CG 4.28Å; Y353-R419 HydrophobicContact CD2-CG 3.87Å; Y353-R419 HydrophobicContact CE1-CB 4.22Å; Y353-R419 HydrophobicContact CE1-CG 4Å; Y353-R419 HydrophobicContact CE2-CB 3.78Å; Y353-R419 HydrophobicContact CE2-CG 3.57Å; Y353-R419 HydrophobicContact CG-CG 4.22Å; Y353-R419 WeakPolarHBondContact O-CG 3.46Å; Y353-R419 PolarHBondContact O-NE 3.26Å; C355-R419 PolarHBondContact O-NH2 2.95Å; G396-R419 CarbonylContact O-C 3.58Å; G396-R419 VanDerWaalsContact O-CA 3.28Å; G396-R419 WeakPolarHBondContact O-CA 3.41Å; F397-R419 VanDerWaalsContact CD2-NH1 3.32Å; F397-R419 VanDerWaalsContact CG-NH1 3.29Å; F397-R419 VanDerWaalsContact CZ-NH2 3.32Å; R419-Y421 HydrophobicContact CB-CD1 4.29Å; R419-Y421 HydrophobicContact CB-CE1 4.18Å; R419-Y421 VanDerWaalsContact CD-CZ 3.48Å; R419-Y421 WeakPolarHBondContact CD-OH 3.45Å; R419-Y421 HydrophobicContact CG-CE1 4.38Å
420T96.8Very high95.9Very high95 Ų9558.2 Ų58.258%0.58330%0.303SS*.SBendtrans-89.4-1.4178.253.50000113.9G396 D398G396-T420 PolarHBondContact O-N 3.4Å; G396-T420 PolarHBondContact O-OG1 3.39Å; D398-T420 HydrophobicContact CB-CG2 4.03Å
421Y96.6Very high96Very high26 Ų2661.9 Ų61.910%0.10232%0.321CS..SBendtrans-127.2173.7-178.460.8-79.6000109.8Y353 G396 R419 D425 E426 I429 R433Y353-Y421 HydrophobicContact CD2-CE2 4.31Å; Y353-Y421 HydrophobicContact CE2-CD2 4.27Å; Y353-Y421 AromaticContact CE2-CE2 3.84Å; Y353-Y421 HydrophobicContact CE2-CE2 3.84Å; Y353-Y421 PolarHBondContact OH-O 3.42Å; G396-Y421 WeakPolarHBondContact O-CE1 3.31Å; R419-Y421 HydrophobicContact CB-CD1 4.29Å; R419-Y421 HydrophobicContact CB-CE1 4.18Å; R419-Y421 VanDerWaalsContact CD-CZ 3.48Å; R419-Y421 WeakPolarHBondContact CD-OH 3.45Å; R419-Y421 HydrophobicContact CG-CE1 4.38Å; Y421-D425 HydrophobicContact CD2-CB 4.21Å; Y421-E426 HydrophobicContact CE2-CB 4.29Å; Y421-E426 VanDerWaalsContact OH-CD 3.31Å; Y421-E426 PolarHBondContact OH-OE1 3.23Å; Y421-E426 PolarHBondContact OH-OE2 3.16Å; Y421-I429 HydrophobicContact CD1-CG1 3.96Å; Y421-I429 HydrophobicContact CD1-CG2 4.37Å; Y421-I429 HydrophobicContact CD2-CB 4.38Å; Y421-I429 HydrophobicContact CD2-CG1 3.59Å; Y421-I429 HydrophobicContact CE1-CB 4.37Å; Y421-I429 HydrophobicContact CE1-CG1 4.16Å; Y421-I429 HydrophobicContact CE1-CG2 3.88Å; Y421-I429 HydrophobicContact CE2-CB 4.11Å; Y421-I429 HydrophobicContact CE2-CG1 3.83Å; Y421-I429 HydrophobicContact CE2-CG2 4.44Å; Y421-I429 HydrophobicContact CG-CD1 4.34Å; Y421-I429 HydrophobicContact CG-CG1 3.67Å; Y421-R433 PolarHBondContact OH-NH1 3.21Å
422K96.9Very high95.9Very high150 Ų15059.6 Ų59.665%0.65232%0.321SS*.  trans-88.6151.5174.7-64.6176.3-179174.10110.2S424 D425K422-S424 PolarHBondContact O-N 3.18Å; K422-D425 PolarHBondContact N-OD2 2.77Å; K422-D425 WeakPolarHBondContact O-CB 3.25Å; K422-D425 PolarHBondContact O-N 3.23Å
423Q95.6Very high95.8Very high133 Ų13359.7 Ų59.762%0.62132%0.322SS*.G310 helixtrans-57.6-26.8179.7-168.5174.612.200114Y353 D425 E426Y353-Q423 HydrophobicContact CD1-CB 4.31Å; Y353-Q423 HydrophobicContact CD1-CG 4.32Å; Y353-Q423 HydrophobicContact CD2-CB 3.98Å; Y353-Q423 HydrophobicContact CD2-CG 3.87Å; Y353-Q423 HydrophobicContact CE1-CB 4.15Å; Y353-Q423 VanDerWaalsContact CE2-CA 3.44Å; Y353-Q423 HydrophobicContact CE2-CB 3.8Å; Y353-Q423 HydrophobicContact CE2-CG 4.23Å; Y353-Q423 HydrophobicContact CG-CB 4.21Å; Y353-Q423 HydrophobicContact CG-CG 3.9Å; Y353-Q423 PolarHBondContact OH-N 2.79Å; Q423-D425 PolarHBondContact O-N 3.45Å; Q423-E426 WeakPolarHBondContact O-CB 3.48Å; Q423-E426 PolarHBondContact O-N 3.1Å
424S96.4Very high95.6Very high95 Ų9561 Ų6166%0.66433%0.332SS*.G310 helixtrans-60.2-26.1173.450.60000113.9K422K422-S424 PolarHBondContact O-N 3.18Å
425D95.9Very high95.4Very high60 Ų6063.9 Ų63.932%0.32135%0.353SS..G310 helixtrans-96.13.3-170-42.4-26.6000111.3Y421 K422 Q423 A427 E428 I429Y421-D425 HydrophobicContact CD2-CB 4.21Å; K422-D425 PolarHBondContact N-OD2 2.77Å; K422-D425 WeakPolarHBondContact O-CB 3.25Å; K422-D425 PolarHBondContact O-N 3.23Å; Q423-D425 PolarHBondContact O-N 3.45Å; D425-A427 VanDerWaalsContact C-N 3.26Å; D425-A427 PolarHBondContact O-N 3.05Å; D425-E428 PolarHBondContact O-N 3.37Å; D425-I429 PolarHBondContact O-N 3.08Å
426E95.1Very high95.2Very high46 Ų4665.4 Ų65.422%0.21536%0.359CS..Hα-helixtrans-52.5-40-176.7-178.268.1-132.600113.3Y421 Q423 E428 I429 D430 R433Y421-E426 HydrophobicContact CE2-CB 4.29Å; Y421-E426 VanDerWaalsContact OH-CD 3.31Å; Y421-E426 PolarHBondContact OH-OE1 3.23Å; Y421-E426 PolarHBondContact OH-OE2 3.16Å; Q423-E426 WeakPolarHBondContact O-CB 3.48Å; Q423-E426 PolarHBondContact O-N 3.1Å; E426-E428 PolarHBondContact O-N 3.21Å; E426-I429 PolarHBondContact O-N 2.98Å; E426-D430 WeakPolarHBondContact O-CB 3.14Å; E426-D430 PolarHBondContact O-N 2.92Å; E426-R433 IonicContact OE1-CZ 3.67Å; E426-R433 IonicContact OE1-NH1 3.88Å; E426-R433 PolarHBondContact OE1-NH1 2.9Å; E426-R433 IonicContact OE1-NH2 2.78Å; E426-R433 PolarHBondContact OE1-NH2 3.19Å
427A94.4Very high95Very high81 Ų8165.7 Ų65.767%0.66936%0.36SS*.Hα-helixtrans-64.8-39.6-179.700000112.4D425 Q431D425-A427 VanDerWaalsContact C-N 3.26Å; D425-A427 PolarHBondContact O-N 3.05Å; A427-Q431 PolarHBondContact O-N 2.85Å; A427-Q431 VanDerWaalsContact O-N 3.11Å
428E94.8Very high94.9Very high132 Ų13268.6 Ų68.662%0.61738%0.375SS*.Hα-helixtrans-69.9-42.3177.4-176.8-17917400111D425 E426 Q431 S432D425-E428 PolarHBondContact O-N 3.37Å; E426-E428 PolarHBondContact O-N 3.21Å; E428-Q431 PolarHBondContact O-N 2.61Å; E428-S432 PolarHBondContact O-N 3.24Å; E428-S432 PolarHBondContact O-OG 2.79Å; E428-S432 VanDerWaalsContact O-OG 3.07Å
429I95.4Very high94.8Very high37 Ų3768.4 Ų68.419%0.1937%0.374CS..Hα-helixtrans-65.3-40.6176-59.9-55.8000110.6Y421 D425 E426 Q431 S432 R433Y421-I429 HydrophobicContact CD1-CG1 3.96Å; Y421-I429 HydrophobicContact CD1-CG2 4.37Å; Y421-I429 HydrophobicContact CD2-CB 4.38Å; Y421-I429 HydrophobicContact CD2-CG1 3.59Å; Y421-I429 HydrophobicContact CE1-CB 4.37Å; Y421-I429 HydrophobicContact CE1-CG1 4.16Å; Y421-I429 HydrophobicContact CE1-CG2 3.88Å; Y421-I429 HydrophobicContact CE2-CB 4.11Å; Y421-I429 HydrophobicContact CE2-CG1 3.83Å; Y421-I429 HydrophobicContact CE2-CG2 4.44Å; Y421-I429 HydrophobicContact CG-CD1 4.34Å; Y421-I429 HydrophobicContact CG-CG1 3.67Å; D425-I429 PolarHBondContact O-N 3.08Å; E426-I429 PolarHBondContact O-N 2.98Å; I429-Q431 VanDerWaalsContact C-N 3.33Å; I429-Q431 PolarHBondContact O-N 2.96Å; I429-S432 WeakPolarHBondContact O-CB 3.04Å; I429-S432 PolarHBondContact O-N 3.28Å; I429-S432 VanDerWaalsContact O-N 3.14Å; I429-R433 HydrophobicContact CG2-CG 4.38Å; I429-R433 WeakPolarHBondContact O-CG 3.18Å; I429-R433 PolarHBondContact O-N 3.29Å
430D94.8Very high94.4Very high50 Ų5068.4 Ų68.427%0.26737%0.374SS..Hα-helixtrans-62.7-39.7176.8-167.459.1000112.6R350 E426 S432 R433 A434R350-D430 IonicContact CZ-OD1 2.68Å; R350-D430 VanDerWaalsContact CZ-OD1 3.3Å; R350-D430 IonicContact NE-OD1 3.5Å; R350-D430 PolarHBondContact NE-OD1 2.78Å; R350-D430 IonicContact NH2-OD1 3.51Å; R350-D430 PolarHBondContact NH2-OD1 3.41Å; R350-D430 IonicContact NH2-OD2 2.75Å; E426-D430 WeakPolarHBondContact O-CB 3.14Å; E426-D430 PolarHBondContact O-N 2.92Å; D430-S432 VanDerWaalsContact C-N 3.31Å; D430-S432 PolarHBondContact O-N 3.32Å; D430-R433 VanDerWaalsContact CB-NH2 3.3Å; D430-R433 VanDerWaalsContact CG-NH2 3.34Å; D430-R433 WeakPolarHBondContact O-CB 3.26Å; D430-R433 PolarHBondContact O-N 3.25Å; D430-R433 IonicContact OD1-CZ 2.61Å; D430-R433 IonicContact OD1-NE 3.95Å; D430-R433 PolarHBondContact OD1-NE 2.84Å; D430-R433 VanDerWaalsContact OD1-NE 3.15Å; D430-R433 IonicContact OD1-NH2 3.73Å; D430-R433 PolarHBondContact OD1-NH2 3.35Å; D430-A434 WeakPolarHBondContact O-CB 3.18Å; D430-A434 PolarHBondContact O-N 3.34Å
431Q94.1Very high93.6Very high140 Ų14068.6 Ų68.665%0.65437%0.368SS*.Hα-helixtrans-63.4-39.6173.8-171.3170.630.300111.7A427 E428 I429 A434 S435A427-Q431 PolarHBondContact O-N 2.85Å; A427-Q431 VanDerWaalsContact O-N 3.11Å; E428-Q431 PolarHBondContact O-N 2.61Å; I429-Q431 VanDerWaalsContact C-N 3.33Å; I429-Q431 PolarHBondContact O-N 2.96Å; Q431-A434 PolarHBondContact O-N 3.19Å; Q431-S435 WeakPolarHBondContact O-CB 3.49Å; Q431-S435 PolarHBondContact O-N 3.31Å; Q431-S435 PolarHBondContact O-OG 2.86Å
432S94.1Very high91.8Very high58 Ų5872.8 Ų72.841%0.40640%0.396SS..Hα-helixtrans-64.9-43174.8-61.70000111.9E428 I429 D430 S435 Y436E428-S432 PolarHBondContact O-N 3.24Å; E428-S432 PolarHBondContact O-OG 2.79Å; E428-S432 VanDerWaalsContact O-OG 3.07Å; I429-S432 WeakPolarHBondContact O-CB 3.04Å; I429-S432 PolarHBondContact O-N 3.28Å; I429-S432 VanDerWaalsContact O-N 3.14Å; D430-S432 VanDerWaalsContact C-N 3.31Å; D430-S432 PolarHBondContact O-N 3.32Å; S432-S435 PolarHBondContact O-N 3.32Å; S432-Y436 WeakPolarHBondContact O-CB 3.47Å; S432-Y436 PolarHBondContact O-N 3Å
433R95.1Very high89.9Confident4 Ų469.7 Ų69.72%0.01539%0.393CS..Hα-helixtrans-57.8-50.9173.7-71.5-174.2-57.9-127.210.3111.3V394 Y421 E426 I429 D430 S435 Y436 I437V394-R433 HydrophobicContact CG1-CG 4.27Å; V394-R433 VanDerWaalsContact O-CG 3.27Å; V394-R433 WeakPolarHBondContact O-CG 3.24Å; Y421-R433 PolarHBondContact OH-NH1 3.21Å; E426-R433 IonicContact OE1-CZ 3.67Å; E426-R433 IonicContact OE1-NH1 3.88Å; E426-R433 PolarHBondContact OE1-NH1 2.9Å; E426-R433 IonicContact OE1-NH2 2.78Å; E426-R433 PolarHBondContact OE1-NH2 3.19Å; I429-R433 HydrophobicContact CG2-CG 4.38Å; I429-R433 WeakPolarHBondContact O-CG 3.18Å; I429-R433 PolarHBondContact O-N 3.29Å; D430-R433 VanDerWaalsContact CB-NH2 3.3Å; D430-R433 VanDerWaalsContact CG-NH2 3.34Å; D430-R433 WeakPolarHBondContact O-CB 3.26Å; D430-R433 PolarHBondContact O-N 3.25Å; D430-R433 IonicContact OD1-CZ 2.61Å; D430-R433 IonicContact OD1-NE 3.95Å; D430-R433 PolarHBondContact OD1-NE 2.84Å; D430-R433 VanDerWaalsContact OD1-NE 3.15Å; D430-R433 IonicContact OD1-NH2 3.73Å; D430-R433 PolarHBondContact OD1-NH2 3.35Å; R433-S435 PolarHBondContact O-N 2.97Å; R433-Y436 PolarHBondContact O-N 3.24Å; R433-I437 VanDerWaalsContact O-CG1 3.3Å; R433-I437 WeakPolarHBondContact O-CG1 3.34Å; R433-I437 PolarHBondContact O-N 2.95Å
434A93.8Very high87.7Confident27 Ų2766.8 Ų66.822%0.22339%0.385CS..Hα-helixtrans-59.3-46.1178.900000111.6D430 Q431 Y436 I437 Q438D430-A434 WeakPolarHBondContact O-CB 3.18Å; D430-A434 PolarHBondContact O-N 3.34Å; Q431-A434 PolarHBondContact O-N 3.19Å; A434-Y436 VanDerWaalsContact C-N 3.34Å; A434-Y436 PolarHBondContact O-N 2.95Å; A434-I437 PolarHBondContact O-N 3.27Å; A434-Q438 WeakPolarHBondContact O-CG 3.3Å; A434-Q438 PolarHBondContact O-N 3.09Å
435S93.9Very high85.1Confident64 Ų6465.1 Ų65.145%0.44838%0.383SS..Hα-helixtrans-60.7-43.1178.3-55.80000112Q431 S432 R433 Q438 S439Q431-S435 WeakPolarHBondContact O-CB 3.49Å; Q431-S435 PolarHBondContact O-N 3.31Å; Q431-S435 PolarHBondContact O-OG 2.86Å; S432-S435 PolarHBondContact O-N 3.32Å; R433-S435 PolarHBondContact O-N 2.97Å; S435-Q438 PolarHBondContact O-N 3.36Å; S435-S439 PolarHBondContact O-N 3.34Å
436Y94.9Very high82.1Confident32 Ų3267.4 Ų67.413%0.12541%0.41CS..Hα-helixtrans-62.3-49.9176.7179.7-97.4000111.5F367 E390 V391 V394 S432 R433 A434 Q438 S439 R440F367-Y436 HydrophobicContact CE2-CD1 4.35Å; F367-Y436 AromaticContact CE2-CE1 3.97Å; F367-Y436 HydrophobicContact CE2-CE1 3.97Å; E390-Y436 HydrophobicContact CG-CE2 4.44Å; E390-Y436 VanDerWaalsContact OE1-CE2 3.3Å; E390-Y436 WeakPolarHBondContact OE1-CE2 3.18Å; E390-Y436 PolarHBondContact OE1-OH 3.48Å; V391-Y436 HydrophobicContact CG2-CE1 4.06Å; V394-Y436 HydrophobicContact CB-CD1 4.38Å; V394-Y436 HydrophobicContact CB-CG 4.33Å; V394-Y436 HydrophobicContact CG1-CD1 3.96Å; V394-Y436 HydrophobicContact CG1-CD2 4.45Å; V394-Y436 HydrophobicContact CG1-CG 3.76Å; V394-Y436 HydrophobicContact CG2-CD1 4.24Å; V394-Y436 HydrophobicContact CG2-CD2 3.81Å; V394-Y436 HydrophobicContact CG2-CE1 4.46Å; V394-Y436 HydrophobicContact CG2-CE2 4.04Å; V394-Y436 HydrophobicContact CG2-CG 3.91Å; S432-Y436 WeakPolarHBondContact O-CB 3.47Å; S432-Y436 PolarHBondContact O-N 3Å; R433-Y436 PolarHBondContact O-N 3.24Å; A434-Y436 VanDerWaalsContact C-N 3.34Å; A434-Y436 PolarHBondContact O-N 2.95Å; Y436-Q438 VanDerWaalsContact C-N 3.28Å; Y436-Q438 PolarHBondContact O-N 3.4Å; Y436-S439 WeakPolarHBondContact O-CB 3.46Å; Y436-S439 PolarHBondContact O-N 3.28Å; Y436-S439 VanDerWaalsContact O-N 3.11Å; Y436-S439 PolarHBondContact O-OG 3.33Å; Y436-R440 HydrophobicContact CE1-CG 4.25Å; Y436-R440 PolarHBondContact O-N 2.97Å
437I92.9Very high79.3Confident6 Ų669.7 Ų69.73%0.03144%0.437CS..Hα-helixtrans-58-42.7179.1-68.4163.7000110.4W343 V346 F367 Y368 R433 A434 S439 R440W343-I437 HydrophobicContact CH2-CG2 3.84Å; W343-I437 HydrophobicContact CZ3-CD1 4.15Å; W343-I437 HydrophobicContact CZ3-CG2 4.23Å; V346-I437 HydrophobicContact CG1-CD1 3.86Å; V346-I437 HydrophobicContact CG2-CD1 3.94Å; F367-I437 HydrophobicContact CD1-CG1 4.48Å; F367-I437 HydrophobicContact CE1-CG1 4.11Å; F367-I437 HydrophobicContact CE2-CG1 4.29Å; F367-I437 HydrophobicContact CG-CG2 4.45Å; F367-I437 HydrophobicContact CZ-CG1 3.99Å; Y368-I437 VanDerWaalsContact CE2-O 3.24Å; Y368-I437 WeakPolarHBondContact CE2-O 3.31Å; Y368-I437 VanDerWaalsContact OH-CG2 3.28Å; Y368-I437 WeakPolarHBondContact OH-CG2 3.39Å; Y368-I437 PolarHBondContact OH-O 3.44Å; Y368-I437 VanDerWaalsContact OH-O 3.09Å; R433-I437 VanDerWaalsContact O-CG1 3.3Å; R433-I437 WeakPolarHBondContact O-CG1 3.34Å; R433-I437 PolarHBondContact O-N 2.95Å; A434-I437 PolarHBondContact O-N 3.27Å; I437-S439 PolarHBondContact O-N 2.8Å; I437-R440 WeakPolarHBondContact O-CB 3.37Å; I437-R440 PolarHBondContact O-N 2.84Å
438Q90.9Very high76.3Confident122 Ų12272.6 Ų72.657%0.5745%0.446SS*.Hα-helixtrans-63.8-40.1176.7-72.3173.9900112.7A434 S435 Y436 R440 Q441A434-Q438 WeakPolarHBondContact O-CG 3.3Å; A434-Q438 PolarHBondContact O-N 3.09Å; S435-Q438 PolarHBondContact O-N 3.36Å; Y436-Q438 VanDerWaalsContact C-N 3.28Å; Y436-Q438 PolarHBondContact O-N 3.4Å; Q438-R440 PolarHBondContact O-N 3.46Å; Q438-R440 VanDerWaalsContact O-N 3.15Å; Q438-Q441 WeakPolarHBondContact O-CB 3.25Å; Q438-Q441 PolarHBondContact O-N 2.88Å
439S91.2Very high73.2Confident54 Ų5474.4 Ų74.438%0.37845%0.454SS..Hα-helixtrans-60.9-25.1177.880.10000113.6S435 Y436 I437 Q441 T442 S443S435-S439 PolarHBondContact O-N 3.34Å; Y436-S439 WeakPolarHBondContact O-CB 3.46Å; Y436-S439 PolarHBondContact O-N 3.28Å; Y436-S439 VanDerWaalsContact O-N 3.11Å; Y436-S439 PolarHBondContact O-OG 3.33Å; I437-S439 PolarHBondContact O-N 2.8Å; S439-Q441 VanDerWaalsContact C-N 3.32Å; S439-T442 PolarHBondContact O-OG1 3.05Å; S439-S443 PolarHBondContact O-OG 3.35Å
440R88.4Confident70Confident25 Ų2584.4 Ų84.49%0.09449%0.49CS..Hα-helixtrans-74.2-23.6175.7-57.9-58.4-64.3-170.5-1.7112.4D366 F367 Y368 Y436 I437 Q438 S443D366-R440 IonicContact OD1-NE 3.39Å; D366-R440 IonicContact OD2-CZ 2.61Å; D366-R440 IonicContact OD2-NE 2.8Å; D366-R440 PolarHBondContact OD2-NE 2.79Å; D366-R440 VanDerWaalsContact OD2-NE 3.17Å; D366-R440 IonicContact OD2-NH2 2.7Å; D366-R440 PolarHBondContact OD2-NH2 2.66Å; F367-R440 HydrophobicContact CD2-CB 4.14Å; F367-R440 HydrophobicContact CD2-CG 3.91Å; F367-R440 HydrophobicContact CE2-CG 4.21Å; Y368-R440 HydrophobicContact CD2-CB 4.4Å; Y368-R440 HydrophobicContact CE2-CB 4.15Å; Y436-R440 HydrophobicContact CE1-CG 4.25Å; Y436-R440 PolarHBondContact O-N 2.97Å; I437-R440 WeakPolarHBondContact O-CB 3.37Å; I437-R440 PolarHBondContact O-N 2.84Å; Q438-R440 PolarHBondContact O-N 3.46Å; Q438-R440 VanDerWaalsContact O-N 3.15Å; R440-S443 PolarHBondContact O-N 2.8Å
441Q80.5Confident66.9Low98 Ų9886.7 Ų86.746%0.45851%0.509SS..Hα-helixtrans-66.7-46.7178.6-160.8178.818.600111.1Y368 Q438 S439 S443 T444Y368-Q441 HydrophobicContact CD1-CG 4.37Å; Y368-Q441 HydrophobicContact CD2-CB 3.95Å; Y368-Q441 HydrophobicContact CD2-CG 4.23Å; Y368-Q441 HydrophobicContact CE1-CB 4.49Å; Y368-Q441 HydrophobicContact CE1-CG 4.26Å; Y368-Q441 HydrophobicContact CE2-CB 3.56Å; Y368-Q441 HydrophobicContact CE2-CG 4.12Å; Y368-Q441 HydrophobicContact CG-CG 4.35Å; Q438-Q441 WeakPolarHBondContact O-CB 3.25Å; Q438-Q441 PolarHBondContact O-N 2.88Å; S439-Q441 VanDerWaalsContact C-N 3.32Å; Q441-S443 PolarHBondContact O-N 3.03Å; Q441-T444 PolarHBondContact O-N 3.06Å; Q441-T444 PolarHBondContact O-OG1 3.1Å
442T59.4Low64Low115 Ų11583.7 Ų83.771%0.70652%0.516SS*.Hα-helixtrans-67.6-23.4-179.248.90000113.5S439 T444S439-T442 PolarHBondContact O-OG1 3.05Å; T442-T444 VanDerWaalsContact C-N 3.27Å; T442-T444 PolarHBondContact O-N 3.2Å
443S56.3Low60.9Low84 Ų8487.5 Ų87.559%0.58754%0.537SS*.THydrogen-bonded Turntrans-75.2-14.5179.8-56.40000113.4S439 R440 Q441S439-S443 PolarHBondContact O-OG 3.35Å; R440-S443 PolarHBondContact O-N 2.8Å; Q441-S443 PolarHBondContact O-N 3.03Å
444T50Low57.7Low72 Ų7298.8 Ų98.844%0.44258%0.579SS.*THydrogen-bonded Turntrans-90.96.7-177.9590000114.7Q441 T442Q441-T444 PolarHBondContact O-N 3.06Å; Q441-T444 PolarHBondContact O-OG1 3.1Å; T442-T444 VanDerWaalsContact C-N 3.27Å; T442-T444 PolarHBondContact O-N 3.2Å
445G40.2Very low54.7Low60 Ų60107.9 Ų107.962%0.61961%0.614SS**  trans-131.781.5-173.100000115.3
446A33.1Very low51.4Low108 Ų108110.1 Ų110.189%0.89363%0.63SS**SBendtrans-87.4105.6149.700000108.6
447A36.7Very low48.6Very low94 Ų94119.9 Ų119.978%0.77767%0.666SS**  trans58.682.116400000118.6
448V31.1Very low45.4Very low142 Ų142127.3 Ų127.386%0.86171%0.706SS**  trans-113.7111.7133.2-179.20000106R450V448-R450 PolarHBondContact O-N 3.01Å
449Q29.4Very low42.5Very low171 Ų171126.9 Ų126.980%0.79972%0.715SS**  trans-51.4116176.5-71.7179.3-11.900109.1S451Q449-S451 PolarHBondContact O-N 3.34Å
450R29.8Very low39.4Very low246 Ų246130.8 Ų130.893%0.92874%0.741SS**  trans-65.590.5158.6-90.1-177.3172174-1.6106.7V448 G452V448-R450 PolarHBondContact O-N 3.01Å; R450-G452 PolarHBondContact O-N 2.72Å; R450-G452 VanDerWaalsContact O-N 3.1Å
451S28.8Very low36.6Very low98 Ų98139.3 Ų139.369%0.68578%0.781SS**  trans-65108.2158.5-67.30000107Q449 V453Q449-S451 PolarHBondContact O-N 3.34Å; S451-V453 PolarHBondContact O-N 3.21Å; S451-V453 VanDerWaalsContact O-N 3.09Å
452G33.1Very low34.1Very low77 Ų77138.3 Ų138.379%0.79480%0.797SS**  trans-62108.5176.500000110.2R450R450-G452 PolarHBondContact O-N 2.72Å; R450-G452 VanDerWaalsContact O-N 3.1Å
453V29.6Very low32.7Very low138 Ų138138.8 Ų138.884%0.83681%0.806SS**  trans-100.4112.6162.7-179.50000106.9S451S451-V453 PolarHBondContact O-N 3.21Å; S451-V453 VanDerWaalsContact O-N 3.09Å
454R28.2Very low31.4Very low241 Ų241139.1 Ų139.191%0.90981%0.814SS**  trans-53.8134.5174.3-70.5173.3171-180-3.9109.5S456R454-S456 PolarHBondContact O-N 3.25Å; R454-S456 VanDerWaalsContact O-N 3.08Å
455K30.6Very low30.5Very low218 Ų218145.5 Ų145.595%0.94884%0.838SS**  trans-56.3110.4166.3-80.2-179.8173179.50108.8
456S25.3Very low30Very low112 Ų112148.2 Ų148.278%0.78385%0.846SS**  trans-101.9124.2154.4-166.60000107.5R454 D458R454-S456 PolarHBondContact O-N 3.25Å; R454-S456 VanDerWaalsContact O-N 3.08Å; S456-D458 PolarHBondContact O-N 3.19Å
457R35.5Very low29.9Very low236 Ų236150.2 Ų150.289%0.89184%0.842SS**  trans-57.6127.7162.5-79.2169.9159.6167.4-7.4107.7
458D25.8Very low29.9Very low162 Ų162152 Ų15287%0.86684%0.839SS**  trans-158.5140.1137.3-111.7-20.5000112S456S456-D458 PolarHBondContact O-N 3.19Å
459C29.2Very low30.1Very low114 Ų114150.9 Ų150.977%0.7783%0.832SS**  trans-84139.2-168.9-53.30000111.1
460C27.1Very low30.7Very low135 Ų135147.6 Ų147.691%0.91283%0.828SS**  trans-151.8121.7153.2-80.40000109.6
461H29.2Very low31.2Very low204 Ų204138 Ų13894%0.94481%0.806SS**  trans-63.7144.8178.4-77.3-19.6000113.8
462G27.1Very low32Very low77 Ų77138.5 Ų138.579%0.79481%0.808SS**  trans-177.880.2169.600000110.2A464G462-A464 PolarHBondContact O-N 3.17Å
463S29.8Very low33.4Very low126 Ų126136.6 Ų136.688%0.88179%0.785SS**  trans-61.4119.9-179.941.60000113.2
464A30.1Very low35.8Very low91 Ų91131.6 Ų131.675%0.75275%0.751SS**  trans-142.7112.5150.300000106.4G462 C466G462-A464 PolarHBondContact O-N 3.17Å; A464-C466 PolarHBondContact O-N 2.97Å; A464-C466 VanDerWaalsContact O-N 3.08Å
465E30.4Very low37.9Very low206 Ų206120.3 Ų120.396%0.96371%0.709SS**  trans-60.1107.4-177.3-66.5174.1156.300110
466C31Very low40.1Very low116 Ų116115.3 Ų115.378%0.78469%0.693SS**  trans-101.2118.4156.8570000107.5A464 D468A464-C466 PolarHBondContact O-N 2.97Å; A464-C466 VanDerWaalsContact O-N 3.08Å; C466-D468 PolarHBondContact O-N 3.37Å
467D30.8Very low42.3Very low151 Ų151112.1 Ų112.181%0.80768%0.678SS**  trans-57.8100.2177.2-155.110.1000108.7T469D467-T469 VanDerWaalsContact C-N 3.25Å; D467-T469 PolarHBondContact O-N 3.32Å
468D35.9Very low44.5Very low132 Ų132101.7 Ų101.771%0.70664%0.639SS**  trans-79.376.4176.7-1734.9000108.2C466 S470C466-D468 PolarHBondContact O-N 3.37Å; D468-S470 VanDerWaalsContact C-N 3.3Å; D468-S470 PolarHBondContact O-N 3.16Å; D468-S470 PolarHBondContact OD1-OG 3.32Å
469T34.9Very low46.9Very low118 Ų118104.4 Ų104.472%0.72464%0.637SS**  trans-80.488.9158.448.50000108.1D467 G471D467-T469 VanDerWaalsContact C-N 3.25Å; D467-T469 PolarHBondContact O-N 3.32Å; T469-G471 PolarHBondContact O-N 3.14Å
470S43.1Very low49.2Very low101 Ų101100.9 Ų100.971%0.70661%0.613SS**  trans-67.570.7172-27.80000110.5D468D468-S470 VanDerWaalsContact C-N 3.3Å; D468-S470 PolarHBondContact O-N 3.16Å; D468-S470 PolarHBondContact OD1-OG 3.32Å
471G39.2Very low51.5Low46 Ų4698.8 Ų98.847%0.47459%0.586SS.*  trans-92.5129.4168.100000109.5T469 A473T469-G471 PolarHBondContact O-N 3.14Å; G471-A473 PolarHBondContact O-N 2.89Å
472C47.3Very low53.5Low108 Ų10894.9 Ų94.973%0.7357%0.572SS**  trans-43.399.1-174.6-163.20000112.7W474C472-W474 VanDerWaalsContact C-N 3.32Å; C472-W474 PolarHBondContact O-N 3.47Å
473A60.7Low55.3Low36 Ų3693.1 Ų93.130%0.29855%0.553SS.*  trans-82.678.2-172.400000110G471 G475 D476G471-A473 PolarHBondContact O-N 2.89Å; A473-G475 PolarHBondContact O-N 2.97Å; A473-D476 WeakPolarHBondContact CB-OD1 3.43Å; A473-D476 VanDerWaalsContact O-CB 3.23Å; A473-D476 WeakPolarHBondContact O-CB 3.48Å; A473-D476 PolarHBondContact O-N 3.08Å
474W80.6Confident56.9Low34 Ų3497.8 Ų97.813%0.12955%0.551CS.*THydrogen-bonded Turntrans-63.7-7.1176.251.6-103.7000114P320 S321 E322 L325 W343 V346 I347 R350 C472P320-W474 HydrophobicContact CB-CE3 3.84Å; P320-W474 HydrophobicContact CB-CH2 3.65Å; P320-W474 HydrophobicContact CB-CZ3 3.21Å; S321-W474 VanDerWaalsContact N-CZ2 3.33Å; E322-W474 VanDerWaalsContact OE1-CD1 3.27Å; E322-W474 PolarHBondContact OE1-NE1 3.34Å; L325-W474 HydrophobicContact CD2-CZ2 4.11Å; W343-W474 HydrophobicContact CE3-CE3 4.28Å; W343-W474 AromaticContact CE3-CZ3 3.71Å; W343-W474 HydrophobicContact CE3-CZ3 3.71Å; W343-W474 AromaticContact CZ3-CE3 3.73Å; W343-W474 HydrophobicContact CZ3-CE3 3.73Å; W343-W474 AromaticContact CZ3-CZ3 3.65Å; W343-W474 HydrophobicContact CZ3-CZ3 3.65Å; V346-W474 HydrophobicContact CG1-CE3 4.22Å; V346-W474 HydrophobicContact CG1-CH2 4.21Å; V346-W474 HydrophobicContact CG1-CZ3 3.66Å; I347-W474 HydrophobicContact CG1-CH2 3.85Å; R350-W474 VanDerWaalsContact NH1-CB 3.33Å; C472-W474 VanDerWaalsContact C-N 3.32Å; C472-W474 PolarHBondContact O-N 3.47Å
475G73.3Confident58.1Low3 Ų399.7 Ų99.73%0.03155%0.545CS..THydrogen-bonded Turntrans-95.915.7166.100000114.8P320 A473 G477 F478P320-G475 WeakPolarHBondContact O-CA 3.38Å; P320-G475 PolarHBondContact O-N 3.42Å; P320-G475 VanDerWaalsContact O-N 3.12Å; A473-G475 PolarHBondContact O-N 2.97Å; G475-G477 PolarHBondContact O-N 2.71Å; G475-F478 WeakPolarHBondContact O-CB 3.29Å; G475-F478 PolarHBondContact O-N 2.9Å
476D76.1Confident59.2Low113 Ų11393.7 Ų93.760%0.60452%0.523SS*.THydrogen-bonded Turntrans-53.6120.9-178.2-94-15.9000112.4Y368 A473Y368-D476 WeakPolarHBondContact CE1-O 3.45Å; A473-D476 WeakPolarHBondContact CB-OD1 3.43Å; A473-D476 VanDerWaalsContact O-CB 3.23Å; A473-D476 WeakPolarHBondContact O-CB 3.48Å; A473-D476 PolarHBondContact O-N 3.08Å
477G72.4Confident60.3Low45 Ų4592 Ų9246%0.46451%0.508SS..THydrogen-bonded Turntrans95.6-9.2-176.200000114.7G475G475-G477 PolarHBondContact O-N 2.71Å
478F81.4Confident61.5Low18 Ų1892.3 Ų92.38%0.07950%0.498CS..  trans-63.9138.3163.6-180-105.6000110I318 P320 E339 L340 W343 G475 P480I318-F478 WeakPolarHBondContact O-CE1 3.29Å; P320-F478 HydrophobicContact CG-CB 4.33Å; P320-F478 HydrophobicContact CG-CD1 3.92Å; P320-F478 HydrophobicContact CG-CD2 4.49Å; P320-F478 HydrophobicContact CG-CE1 4.31Å; P320-F478 HydrophobicContact CG-CG 3.99Å; E339-F478 HydrophobicContact CB-CE2 3.98Å; E339-F478 HydrophobicContact CB-CZ 4.31Å; E339-F478 HydrophobicContact CG-CE2 3.79Å; E339-F478 HydrophobicContact CG-CZ 3.6Å; L340-F478 HydrophobicContact CD2-CE1 4.08Å; L340-F478 HydrophobicContact CD2-CE2 4.5Å; L340-F478 HydrophobicContact CD2-CZ 3.63Å; L340-F478 HydrophobicContact CG-CZ 4.4Å; W343-F478 AromaticContact CD1-CD2 3.81Å; W343-F478 AromaticContact CD1-CE2 3.65Å; W343-F478 AromaticContact CE2-CD2 3.91Å; W343-F478 HydrophobicContact CZ2-CB 4.1Å; W343-F478 HydrophobicContact CZ2-CD2 4.38Å; W343-F478 AromaticContact NE1-CD2 3.13Å; W343-F478 AromaticContact NE1-CE2 3.47Å; W343-F478 AromaticContact NE1-CG 3.91Å; G475-F478 WeakPolarHBondContact O-CB 3.29Å; G475-F478 PolarHBondContact O-N 2.9Å; F478-P480 HydrophobicContact CD1-CG 4.01Å; F478-P480 HydrophobicContact CE1-CB 4.15Å; F478-P480 HydrophobicContact CE1-CG 3.72Å
479R75.9Confident62.6Low218 Ų21889.3 Ų89.382%0.82348%0.482SS*.  trans-125.9104.3177.4-66.7-174.1-177.6-170-0.3109
480P76.6Confident63.8Low40 Ų4084 Ų8426%0.2645%0.45SS..PPolyproline II helixtrans-55.8148.1171-17.627000110.1A317 F478A317-P480 HydrophobicContact CB-CB 4.39Å; F478-P480 HydrophobicContact CD1-CG 4.01Å; F478-P480 HydrophobicContact CE1-CB 4.15Å; F478-P480 HydrophobicContact CE1-CG 3.72Å
481R76.3Confident64.6Low91 Ų9182.7 Ų82.734%0.34345%0.445SS..PPolyproline II helixtrans-60148.2169.8-77177.1-60.6177.2-6.4110.7V298 D338 E339 G483V298-R481 WeakPolarHBondContact CG2-O 3.33Å; D338-R481 IonicContact OD2-CZ 2.71Å; D338-R481 IonicContact OD2-NH1 3.15Å; D338-R481 PolarHBondContact OD2-NH1 3.09Å; D338-R481 IonicContact OD2-NH2 3.33Å; D338-R481 PolarHBondContact OD2-NH2 2.92Å; E339-R481 WeakPolarHBondContact OE1-CB 3.45Å; E339-R481 WeakPolarHBondContact OE1-CD 3.48Å; E339-R481 WeakPolarHBondContact OE1-CG 3.33Å; E339-R481 IonicContact OE1-CZ 3.46Å; E339-R481 PolarHBondContact OE1-N 3.49Å; E339-R481 IonicContact OE1-NE 3.34Å; E339-R481 PolarHBondContact OE1-NE 3.04Å; E339-R481 IonicContact OE1-NH2 2.72Å; E339-R481 VanDerWaalsContact OE2-CD 3.31Å; E339-R481 WeakPolarHBondContact OE2-CD 3.3Å; E339-R481 IonicContact OE2-CZ 3.53Å; E339-R481 IonicContact OE2-NE 3.3Å; E339-R481 PolarHBondContact OE2-NE 3.08Å; E339-R481 IonicContact OE2-NH2 2.7Å; R481-G483 PolarHBondContact O-N 3.17Å
482N71.6Confident65.8Low123 Ų12383.6 Ų83.666%0.65845%0.448SS*.PPolyproline II helixtrans-56.4138.6176.2-66.8-20.2000111.3R299 R484R299-N482 PolarHBondContact NE-O 3.33Å; R299-N482 PolarHBondContact NH2-O 3.48Å; N482-R484 PolarHBondContact O-N 3.04Å; N482-R484 VanDerWaalsContact O-N 3.17Å
483G63.8Low67.1Low39 Ų3979.1 Ų79.140%0.40242%0.417SS..SBendtrans-62.5-19.9176.700000114.6R299 R481R299-G483 VanDerWaalsContact CD-O 3.29Å; R299-G483 WeakPolarHBondContact CD-O 3.49Å; R299-G483 VanDerWaalsContact CG-O 3.29Å; R299-G483 WeakPolarHBondContact CG-O 3.19Å; R299-G483 PolarHBondContact NE-O 3.4Å; R481-G483 PolarHBondContact O-N 3.17Å
484R63.4Low68Low224 Ų22480.5 Ų80.585%0.84542%0.423SS*.SBendtrans-105.9131.1173.9-71-178.5176.5169-0111.7N482N482-R484 PolarHBondContact O-N 3.04Å; N482-R484 VanDerWaalsContact O-N 3.17Å
485E54.7Low67.9Low131 Ų13188.8 Ų88.861%0.61245%0.454SS*.  trans-83.6114171.2-161160.5-162.800109.7R299 R301R299-E485 IonicContact NH1-OE1 2.69Å; R299-E485 IonicContact NH1-OE2 2.97Å; R299-E485 PolarHBondContact NH1-OE2 2.94Å; R301-E485 IonicContact NH1-OE2 2.78Å
486T53.7Low68.3Low81 Ų8194.1 Ų94.150%0.49748%0.482SS..  trans-73.4138.8169.653.10000109.2R488T486-R488 WeakPolarHBondContact O-CG 3.32Å; T486-R488 PolarHBondContact O-N 3.47Å
487V55.7Low68.6Low80 Ų8090.5 Ų90.549%0.48546%0.464SS..  trans-71.5101-178.4171.10000109.3N489 A491V487-N489 VanDerWaalsContact C-N 3.34Å; V487-N489 WeakPolarHBondContact CG1-OD1 3.16Å; V487-N489 PolarHBondContact O-N 3.39Å; V487-A491 HydrophobicContact CG1-CB 4.42Å
488R54.7Low69Low158 Ų15889.4 Ų89.460%0.59645%0.448SS*.THydrogen-bonded Turntrans-90.645.3-170.3-51.7-167.2161.2-173.6-0.4114.6T486 E547 C548T486-R488 WeakPolarHBondContact O-CG 3.32Å; T486-R488 PolarHBondContact O-N 3.47Å; R488-E547 CarbonylContact C-O 3.56Å; R488-E547 VanDerWaalsContact CA-O 3.32Å; R488-E547 WeakPolarHBondContact CA-O 3.02Å; R488-C548 HydrophobicContact CB-CB 3.56Å; R488-C548 HydrophobicContact CG-CB 3.38Å
489N59.4Low69.2Low68 Ų6892.9 Ų92.936%0.36447%0.467SS..THydrogen-bonded Turntrans-136.717.6-176.870.3-5.9000113.1V487 A491 N557V487-N489 VanDerWaalsContact C-N 3.34Å; V487-N489 WeakPolarHBondContact CG1-OD1 3.16Å; V487-N489 PolarHBondContact O-N 3.39Å; N489-A491 PolarHBondContact O-N 3.38Å; N489-A491 WeakPolarHBondContact OD1-CA 2.94Å; N489-A491 WeakPolarHBondContact OD1-CB 3.47Å; N489-A491 PolarHBondContact OD1-N 2.9Å; N489-N557 PolarHBondContact O-ND2 3.19Å
490C59.5Low69.6Low8 Ų884.4 Ų84.45%0.05445%0.448CS..SBendtrans59.210.3-175.4-55.80000114A492 L493C490-A492 VanDerWaalsContact C-N 3.32Å; C490-L493 HydrophobicContact CB-CD1 3.58Å; C490-L493 HydrophobicContact CB-CG 4.24Å; C490-L493 WeakPolarHBondContact O-CB 3.42Å; C490-L493 PolarHBondContact O-N 3.48Å
491A61.2Low70.1Confident73 Ų7382.8 Ų82.860%0.60344%0.437SS*.THydrogen-bonded Turntrans-79.9-14.4-178.900000113.4V487 N489 L493V487-A491 HydrophobicContact CG1-CB 4.42Å; N489-A491 PolarHBondContact O-N 3.38Å; N489-A491 WeakPolarHBondContact OD1-CA 2.94Å; N489-A491 WeakPolarHBondContact OD1-CB 3.47Å; N489-A491 PolarHBondContact OD1-N 2.9Å; A491-L493 VanDerWaalsContact C-N 3.32Å
492A63.2Low70.8Confident65 Ų6578.5 Ų78.554%0.53742%0.421SS..THydrogen-bonded Turntrans-87-3.417100000112.5C490C490-A492 VanDerWaalsContact C-N 3.32Å
493L74.6Confident71.7Confident13 Ų1375.4 Ų75.47%0.06840%0.404CS..SBendtrans-66.5140.8175.1-71.3173.7000110.7C490 A491 R495 V498 L543 L544 E547 L554C490-L493 HydrophobicContact CB-CD1 3.58Å; C490-L493 HydrophobicContact CB-CG 4.24Å; C490-L493 WeakPolarHBondContact O-CB 3.42Å; C490-L493 PolarHBondContact O-N 3.48Å; A491-L493 VanDerWaalsContact C-N 3.32Å; L493-R495 PolarHBondContact O-N 3.14Å; L493-V498 HydrophobicContact CB-CG2 3.75Å; L493-V498 HydrophobicContact CD1-CG2 4.17Å; L493-L543 HydrophobicContact CD2-CD2 3.7Å; L493-L543 HydrophobicContact CD2-CG 3.77Å; L493-L544 HydrophobicContact CD1-CD2 3.55Å; L493-E547 HydrophobicContact CD2-CG 3.63Å; L493-E547 HydrophobicContact CG-CG 4.01Å; L493-L554 HydrophobicContact CD1-CD1 3.9Å
494P79.9Confident72.9Confident65 Ų6577.8 Ų77.842%0.42240%0.404SS..  trans-54136.4168.4-23.634.4000110.9D496 V497 V498P494-D496 VanDerWaalsContact C-N 3.29Å; P494-D496 VanDerWaalsContact C-OD1 3.28Å; P494-D496 WeakPolarHBondContact CB-OD1 3.33Å; P494-D496 PolarHBondContact O-N 3.23Å; P494-V497 HydrophobicContact CB-CG2 4.06Å; P494-V497 HydrophobicContact CG-CG2 4.31Å; P494-V497 WeakPolarHBondContact O-CB 3.07Å; P494-V497 PolarHBondContact O-N 2.97Å; P494-V497 VanDerWaalsContact O-N 3.1Å; P494-V498 PolarHBondContact O-N 3.2Å
495R78.7Confident74.2Confident208 Ų20867.1 Ų67.179%0.78536%0.363SS*.Hα-helixtrans-63.2-37.2-174.4-73-172.3-175.8174.63.6112.1L493 V497 V498 D499L493-R495 PolarHBondContact O-N 3.14Å; R495-V497 VanDerWaalsContact C-N 3.28Å; R495-V497 PolarHBondContact O-N 2.85Å; R495-V498 PolarHBondContact O-N 3.21Å; R495-V498 VanDerWaalsContact O-N 3.13Å; R495-D499 WeakPolarHBondContact O-CB 3.41Å; R495-D499 PolarHBondContact O-N 3.33Å
496D80.8Confident75.9Confident116 Ų11661 Ų6162%0.6234%0.335SS*.Hα-helixtrans-54.2-41.317255.7-54.6000112.5P494 G500P494-D496 VanDerWaalsContact C-N 3.29Å; P494-D496 VanDerWaalsContact C-OD1 3.28Å; P494-D496 WeakPolarHBondContact CB-OD1 3.33Å; P494-D496 PolarHBondContact O-N 3.23Å; D496-G500 PolarHBondContact O-N 3.47Å
497V82.1Confident77.6Confident36 Ų3662.5 Ų62.522%0.21834%0.336CS..Hα-helixtrans-69.3-42.5176.21780000111P494 R495 V501 T540 L543P494-V497 HydrophobicContact CB-CG2 4.06Å; P494-V497 HydrophobicContact CG-CG2 4.31Å; P494-V497 WeakPolarHBondContact O-CB 3.07Å; P494-V497 PolarHBondContact O-N 2.97Å; P494-V497 VanDerWaalsContact O-N 3.1Å; R495-V497 VanDerWaalsContact C-N 3.28Å; R495-V497 PolarHBondContact O-N 2.85Å; V497-V501 VanDerWaalsContact O-CG2 3.27Å; V497-V501 WeakPolarHBondContact O-CG2 3.49Å; V497-V501 PolarHBondContact O-N 3.17Å; V497-T540 HydrophobicContact CG1-CG2 4.39Å; V497-L543 HydrophobicContact CG1-CD2 4.04Å
498V82.7Confident79.3Confident22 Ų2260.1 Ų60.113%0.13333%0.325CS..Hα-helixtrans-64.3-49.1177.7178.30000110.7L493 P494 R495 G500 V501 V502 L554L493-V498 HydrophobicContact CB-CG2 3.75Å; L493-V498 HydrophobicContact CD1-CG2 4.17Å; P494-V498 PolarHBondContact O-N 3.2Å; R495-V498 PolarHBondContact O-N 3.21Å; R495-V498 VanDerWaalsContact O-N 3.13Å; V498-G500 VanDerWaalsContact C-N 3.35Å; V498-G500 PolarHBondContact O-N 2.63Å; V498-V501 PolarHBondContact O-N 3.46Å; V498-V502 HydrophobicContact CG1-CG2 4.23Å; V498-V502 WeakPolarHBondContact O-CB 3.33Å; V498-V502 WeakPolarHBondContact O-CG2 3.46Å; V498-V502 PolarHBondContact O-N 3.14Å; V498-L554 HydrophobicContact CG1-CD1 4.42Å; V498-L554 HydrophobicContact CG2-CD1 4.22Å
499D84.3Confident81Confident91 Ų9152.6 Ų52.649%0.48730%0.297SS..Hα-helixtrans-63.9-40.9-179-67.1-23.5000110.8R495 V502 L503R495-D499 WeakPolarHBondContact O-CB 3.41Å; R495-D499 PolarHBondContact O-N 3.33Å; D499-V502 PolarHBondContact O-N 3.28Å; D499-L503 VanDerWaalsContact O-CB 3.27Å; D499-L503 WeakPolarHBondContact O-CB 3.36Å; D499-L503 PolarHBondContact O-N 3.28Å
500G85.8Confident82.3Confident40 Ų4050.4 Ų50.441%0.41229%0.285SS..Hα-helixtrans-62.8-41.7174.600000113.3D496 V498 K504D496-G500 PolarHBondContact O-N 3.47Å; V498-G500 VanDerWaalsContact C-N 3.35Å; V498-G500 PolarHBondContact O-N 2.63Å; G500-K504 VanDerWaalsContact O-CB 3.3Å; G500-K504 WeakPolarHBondContact O-CB 3.11Å; G500-K504 PolarHBondContact O-N 3.27Å; G500-K504 VanDerWaalsContact O-N 3.1Å
501V87.2Confident83.5Confident6 Ų653.3 Ų53.34%0.03632%0.316CS..Hα-helixtrans-66.1-46.7174171.40000110.8V497 V498 L503 K504 V505 L536 T540 L551 L554V497-V501 VanDerWaalsContact O-CG2 3.27Å; V497-V501 WeakPolarHBondContact O-CG2 3.49Å; V497-V501 PolarHBondContact O-N 3.17Å; V498-V501 PolarHBondContact O-N 3.46Å; V501-L503 PolarHBondContact O-N 3.04Å; V501-K504 PolarHBondContact O-N 3.18Å; V501-V505 HydrophobicContact CG1-CG2 4.4Å; V501-V505 VanDerWaalsContact O-CG2 3.23Å; V501-V505 WeakPolarHBondContact O-CG2 2.86Å; V501-V505 PolarHBondContact O-N 2.97Å; V501-V505 VanDerWaalsContact O-N 3.07Å; V501-L536 HydrophobicContact CG1-CD1 3.99Å; V501-L536 HydrophobicContact CG1-CD2 4.15Å; V501-L536 HydrophobicContact CG2-CD1 4.43Å; V501-L536 HydrophobicContact CG2-CD2 4.14Å; V501-T540 HydrophobicContact CG2-CG2 3.64Å; V501-L551 HydrophobicContact CG1-CD1 4.29Å; V501-L554 HydrophobicContact CB-CD2 4.37Å; V501-L554 HydrophobicContact CG1-CD2 3.72Å
502V89.5Confident84.5Confident1 Ų154.1 Ų54.11%0.00631%0.309CS..Hα-helixtrans-60.5-46.4179.9170.40000110.8V498 D499 V505 A506 L554 N558 V561 F562 W596V498-V502 HydrophobicContact CG1-CG2 4.23Å; V498-V502 WeakPolarHBondContact O-CB 3.33Å; V498-V502 WeakPolarHBondContact O-CG2 3.46Å; V498-V502 PolarHBondContact O-N 3.14Å; D499-V502 PolarHBondContact O-N 3.28Å; V502-V505 PolarHBondContact O-N 3.18Å; V502-A506 VanDerWaalsContact O-CB 3.32Å; V502-A506 WeakPolarHBondContact O-CB 3.49Å; V502-A506 PolarHBondContact O-N 3.03Å; V502-L554 HydrophobicContact CG2-CD2 4.39Å; V502-N558 HydrophobicContact CG2-CB 3.96Å; V502-N558 VanDerWaalsContact CG2-CG 3.42Å; V502-N558 WeakPolarHBondContact CG2-ND2 3.49Å; V502-V561 HydrophobicContact CG1-CB 4.3Å; V502-V561 HydrophobicContact CG1-CG1 4.22Å; V502-V561 HydrophobicContact CG1-CG2 3.98Å; V502-F562 HydrophobicContact CB-CE2 4.19Å; V502-F562 HydrophobicContact CG1-CE2 3.84Å; V502-F562 HydrophobicContact CG1-CZ 4.13Å; V502-F562 HydrophobicContact CG2-CE2 4.1Å; V502-F562 WeakPolarHBondContact O-CZ 3.23Å; V502-W596 HydrophobicContact CG1-CZ2 4.27Å
503L90.1Very high85Confident59 Ų5952.6 Ų52.631%0.30929%0.294SS..Hα-helixtrans-62.2-49.9179.9-172.467.1000111.3D499 V501 V505 A506 E507 W596 H600D499-L503 VanDerWaalsContact O-CB 3.27Å; D499-L503 WeakPolarHBondContact O-CB 3.36Å; D499-L503 PolarHBondContact O-N 3.28Å; V501-L503 PolarHBondContact O-N 3.04Å; L503-V505 VanDerWaalsContact C-N 3.31Å; L503-V505 PolarHBondContact O-N 2.68Å; L503-A506 PolarHBondContact O-N 2.71Å; L503-A506 VanDerWaalsContact O-N 3.12Å; L503-E507 HydrophobicContact CG-CG 4.45Å; L503-E507 WeakPolarHBondContact O-CG 3.45Å; L503-E507 PolarHBondContact O-N 3.24Å; L503-W596 HydrophobicContact CD1-CZ2 4.23Å; L503-H600 HydrophobicContact CD1-CB 4.3Å
504K90.2Very high84Confident89 Ų8961.1 Ų61.139%0.38733%0.334SS..Hα-helixtrans-59.7-40.2-179.2-169.2174.1-167.8-176.40112.9G500 V501 A508 L535 L536G500-K504 VanDerWaalsContact O-CB 3.3Å; G500-K504 WeakPolarHBondContact O-CB 3.11Å; G500-K504 PolarHBondContact O-N 3.27Å; G500-K504 VanDerWaalsContact O-N 3.1Å; V501-K504 PolarHBondContact O-N 3.18Å; K504-A508 WeakPolarHBondContact O-CB 3.37Å; K504-A508 PolarHBondContact O-N 3.37Å; K504-A508 VanDerWaalsContact O-N 3.14Å; K504-L535 WeakPolarHBondContact CE-O 3.45Å; K504-L535 PolarHBondContact NZ-O 2.97Å; K504-L536 HydrophobicContact CD-CD2 4.27Å
505V90.4Very high82.9Confident0 Ų061.6 Ų61.60%035%0.35CS..Hα-helixtrans-71.8-38.8177.7176.90000111.1V501 V502 L503 L509 V532 L555 F562V501-V505 HydrophobicContact CG1-CG2 4.4Å; V501-V505 VanDerWaalsContact O-CG2 3.23Å; V501-V505 WeakPolarHBondContact O-CG2 2.86Å; V501-V505 PolarHBondContact O-N 2.97Å; V501-V505 VanDerWaalsContact O-N 3.07Å; V502-V505 PolarHBondContact O-N 3.18Å; L503-V505 VanDerWaalsContact C-N 3.31Å; L503-V505 PolarHBondContact O-N 2.68Å; V505-L509 HydrophobicContact CG1-CD1 4.06Å; V505-L509 VanDerWaalsContact O-CG 3.29Å; V505-L509 WeakPolarHBondContact O-CG 3.5Å; V505-L509 PolarHBondContact O-N 3.25Å; V505-V532 HydrophobicContact CB-CG1 4.29Å; V505-V532 HydrophobicContact CG1-CG1 3.81Å; V505-V532 HydrophobicContact CG1-CG2 4.26Å; V505-V532 HydrophobicContact CG2-CG1 3.4Å; V505-V532 VanDerWaalsContact CG2-CG1 3.4Å; V505-L555 HydrophobicContact CG1-CD2 4.22Å; V505-F562 HydrophobicContact CB-CE1 4.27Å; V505-F562 HydrophobicContact CB-CZ 3.78Å; V505-F562 HydrophobicContact CG1-CE1 3.76Å; V505-F562 HydrophobicContact CG1-CE2 4.49Å; V505-F562 HydrophobicContact CG1-CZ 3.71Å
506A89.9Confident81.4Confident1 Ų155.2 Ų55.21%0.00833%0.334CS..Hα-helixtrans-66.5-43.3176.800000112V502 L503 A508 L509 L510 V561 F562 W596V502-A506 VanDerWaalsContact O-CB 3.32Å; V502-A506 WeakPolarHBondContact O-CB 3.49Å; V502-A506 PolarHBondContact O-N 3.03Å; L503-A506 PolarHBondContact O-N 2.71Å; L503-A506 VanDerWaalsContact O-N 3.12Å; A506-A508 PolarHBondContact O-N 2.92Å; A506-L509 PolarHBondContact O-N 2.93Å; A506-L510 WeakPolarHBondContact O-CB 3.41Å; A506-L510 VanDerWaalsContact O-CG 3.28Å; A506-L510 WeakPolarHBondContact O-CG 3.43Å; A506-L510 PolarHBondContact O-N 3.05Å; A506-V561 HydrophobicContact CB-CG1 4.35Å; A506-F562 HydrophobicContact CB-CE1 4.23Å; A506-F562 HydrophobicContact CB-CZ 4.23Å; A506-W596 HydrophobicContact CB-CH2 3.37Å; A506-W596 HydrophobicContact CB-CZ2 3.7Å; A506-W596 HydrophobicContact CB-CZ3 4.35Å
507E90.3Very high80Confident113 Ų11354.7 Ų54.753%0.52834%0.34SS..Hα-helixtrans-59.5-45.2174.9-73.7172.6173.300111.8L503 L509 L510 G511L503-E507 HydrophobicContact CG-CG 4.45Å; L503-E507 WeakPolarHBondContact O-CG 3.45Å; L503-E507 PolarHBondContact O-N 3.24Å; E507-L509 VanDerWaalsContact C-N 3.33Å; E507-L509 PolarHBondContact O-N 2.89Å; E507-L510 PolarHBondContact O-N 3.4Å; E507-G511 PolarHBondContact O-N 2.79Å
508A90.2Very high78.7Confident31 Ų3159.6 Ų59.626%0.25638%0.375SS..Hα-helixtrans-60.6-42.2176.400000112K504 A506 M512 L527 L535K504-A508 WeakPolarHBondContact O-CB 3.37Å; K504-A508 PolarHBondContact O-N 3.37Å; K504-A508 VanDerWaalsContact O-N 3.14Å; A506-A508 PolarHBondContact O-N 2.92Å; A508-M512 VanDerWaalsContact O-CG 3.3Å; A508-M512 WeakPolarHBondContact O-CG 3.21Å; A508-L527 HydrophobicContact CB-CD1 4.26Å; A508-L535 HydrophobicContact CB-CD1 3.5Å; A508-L535 VanDerWaalsContact CB-CD1 3.5Å
509L90.3Very high77.6Confident0 Ų062.1 Ų62.10%041%0.406CS..Hα-helixtrans-67.8-41.2176.5-70.2167.2000112V505 A506 E507 G511 M512 G524 G525 L527 F562 V569 I571V505-L509 HydrophobicContact CG1-CD1 4.06Å; V505-L509 VanDerWaalsContact O-CG 3.29Å; V505-L509 WeakPolarHBondContact O-CG 3.5Å; V505-L509 PolarHBondContact O-N 3.25Å; A506-L509 PolarHBondContact O-N 2.93Å; E507-L509 VanDerWaalsContact C-N 3.33Å; E507-L509 PolarHBondContact O-N 2.89Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 3.46Å; L509-M512 PolarHBondContact O-N 3.07Å; L509-G524 CarbonylContact O-C 3.58Å; L509-G524 WeakPolarHBondContact O-CA 3.49Å; L509-G525 PolarHBondContact O-N 3.35Å; L509-L527 HydrophobicContact CD2-CB 4.03Å; L509-L527 HydrophobicContact CD2-CD1 3.91Å; L509-L527 HydrophobicContact CD2-CG 3.76Å; L509-L527 HydrophobicContact CG-CD1 4.27Å; L509-F562 HydrophobicContact CD1-CD1 4.05Å; L509-F562 HydrophobicContact CD1-CE1 3.83Å; L509-V569 HydrophobicContact CD1-CG1 4.26Å; L509-I571 HydrophobicContact CB-CD1 3.96Å; L509-I571 HydrophobicContact CB-CG1 3.99Å; L509-I571 HydrophobicContact CD1-CG1 3.98Å
510L88.3Confident77Confident21 Ų2163 Ų6311%0.1141%0.411CS..Hα-helixtrans-67.5-33.4178.8-70.6170.3000112.7A506 E507 M512 S513 N522 I571 H601 P602A506-L510 WeakPolarHBondContact O-CB 3.41Å; A506-L510 VanDerWaalsContact O-CG 3.28Å; A506-L510 WeakPolarHBondContact O-CG 3.43Å; A506-L510 PolarHBondContact O-N 3.05Å; E507-L510 PolarHBondContact O-N 3.4Å; L510-M512 PolarHBondContact O-N 3.02Å; L510-S513 PolarHBondContact O-N 3.43Å; L510-N522 HydrophobicContact CD2-CB 4.41Å; L510-I571 HydrophobicContact CD1-CD1 4.18Å; L510-I571 HydrophobicContact CD2-CD1 3.4Å; L510-I571 VanDerWaalsContact CD2-CD1 3.4Å; L510-I571 HydrophobicContact CG-CD1 3.41Å; L510-I571 VanDerWaalsContact CG-CD1 3.41Å; L510-H601 VanDerWaalsContact CD2-NE2 3.3Å; L510-H601 WeakPolarHBondContact CD2-NE2 3.3Å; L510-P602 HydrophobicContact CD1-CG 4.18Å
511G84.4Confident76.9Confident69 Ų6962.1 Ų62.171%0.71140%0.395SS*.THydrogen-bonded Turntrans-71.2-12.8177.700000114.7E507 L509 S513E507-G511 PolarHBondContact O-N 2.79Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 3.46Å; G511-S513 VanDerWaalsContact C-N 3.34Å
512M82.9Confident76.9Confident91 Ų9163 Ų6345%0.44840%0.399SS..THydrogen-bonded Turntrans-87-2.7177-65.2173.194.200113.5A508 L509 L510 E514 L527A508-M512 VanDerWaalsContact O-CG 3.3Å; A508-M512 WeakPolarHBondContact O-CG 3.21Å; L509-M512 PolarHBondContact O-N 3.07Å; L510-M512 PolarHBondContact O-N 3.02Å; M512-E514 PolarHBondContact O-N 3.08Å; M512-E514 VanDerWaalsContact O-N 3.15Å; M512-L527 HydrophobicContact CE-CD2 3.61Å; M512-L527 HydrophobicContact CE-CG 4.33Å; M512-L527 HydrophobicContact SD-CD1 4.22Å; M512-L527 HydrophobicContact SD-CD2 3.6Å; M512-L527 HydrophobicContact SD-CG 3.73Å
513S72.8Confident76.5Confident33 Ų3366.8 Ų66.823%0.23142%0.416CS..  trans-8290.2178.4-171.70000110.1L510 G511 G515 N522L510-S513 PolarHBondContact O-N 3.43Å; G511-S513 VanDerWaalsContact C-N 3.34Å; S513-G515 PolarHBondContact O-N 3.26Å; S513-N522 WeakPolarHBondContact CB-OD1 3.48Å; S513-N522 PolarHBondContact OG-OD1 3.38Å
514E54.1Low76.4Confident192 Ų19265 Ų6590%0.89741%0.412SS*.  trans-68.6111.4168.3-68-158.3167.600110M512 T516M512-E514 PolarHBondContact O-N 3.08Å; M512-E514 VanDerWaalsContact O-N 3.15Å; E514-T516 PolarHBondContact O-N 3.13Å
515G56.4Low76.3Confident74 Ų7461.8 Ų61.876%0.76340%0.404SS*.  trans54.857.1157.700000116.4S513 S517S513-G515 PolarHBondContact O-N 3.26Å; G515-S517 PolarHBondContact O-N 3.01Å
516T47.8Very low76.3Confident75 Ų7565.3 Ų65.346%0.4643%0.428SS..  trans-67.3120.3164.8420000109.7E514E514-T516 PolarHBondContact O-N 3.13Å
517S50.2Low76.4Confident105 Ų10566 Ų6673%0.73443%0.431SS*.  trans-36.6137.1167.3-39.50000111.3G515 G519G515-S517 PolarHBondContact O-N 3.01Å; S517-G519 PolarHBondContact O-N 3.32Å
518S54.7Low76.5Confident138 Ų13862.4 Ų62.497%0.96542%0.419SS*.THydrogen-bonded Turntrans-58.940.9-167.4-172.40000117.9
519G59.1Low76.3Confident75 Ų7562.5 Ų62.577%0.77342%0.416SS*.THydrogen-bonded Turntrans-151.9-15.9179.100000116.8S517S517-G519 PolarHBondContact O-N 3.32Å
520D71.9Confident76.2Confident111 Ų11172.8 Ų72.859%0.59446%0.455SS*.SBendtrans-101137-179.5-92.2-31.2000113N522D520-N522 PolarHBondContact O-N 2.81Å
521W85.1Confident76.2Confident21 Ų2176.6 Ų76.68%0.0847%0.472CS..  trans-64.2128.7175.3-176.294.7000110.3K523 I571 D573 F597 H601 G604 P606W521-K523 HydrophobicContact CE3-CG 4.3Å; W521-K523 WeakPolarHBondContact O-CG 3.45Å; W521-K523 PolarHBondContact O-N 3.42Å; W521-K523 VanDerWaalsContact O-N 3.12Å; W521-I571 HydrophobicContact CH2-CG2 3.86Å; W521-I571 HydrophobicContact CZ3-CG2 4.23Å; W521-D573 HydrophobicContact CZ3-CB 4.47Å; W521-F597 AromaticContact CH2-CD1 3.79Å; W521-F597 HydrophobicContact CH2-CD1 3.79Å; W521-F597 AromaticContact CH2-CE1 3.68Å; W521-F597 HydrophobicContact CH2-CE1 3.68Å; W521-F597 HydrophobicContact CH2-CZ 4.47Å; W521-F597 AromaticContact CZ2-CD1 3.64Å; W521-F597 HydrophobicContact CZ2-CD1 3.64Å; W521-F597 HydrophobicContact CZ2-CE1 4.04Å; W521-F597 HydrophobicContact CZ2-CG 4.31Å; W521-H601 AromaticContact CD2-CE1 3.92Å; W521-H601 AromaticContact CE2-CE1 3.27Å; W521-H601 AromaticContact CE2-ND1 3.53Å; W521-H601 AromaticContact CE2-NE2 3.69Å; W521-H601 AromaticContact CH2-CD2 3.95Å; W521-H601 AromaticContact CH2-NE2 3.72Å; W521-H601 AromaticContact CZ2-CD2 3.49Å; W521-H601 VanDerWaalsContact CZ2-CD2 3.49Å; W521-H601 WeakPolarHBondContact CZ2-CD2 3.33Å; W521-H601 AromaticContact CZ2-CE1 3.42Å; W521-H601 VanDerWaalsContact CZ2-CE1 3.42Å; W521-H601 WeakPolarHBondContact CZ2-CE1 3.2Å; W521-H601 AromaticContact CZ2-CG 3.63Å; W521-H601 AromaticContact CZ2-ND1 3.59Å; W521-H601 AromaticContact CZ2-NE2 3.36Å; W521-H601 WeakPolarHBondContact CZ2-NE2 3.15Å; W521-H601 AromaticContact NE1-CE1 3.41Å; W521-H601 PolarHBondContact NE1-CE1 2.83Å; W521-H601 AromaticContact NE1-ND1 3.34Å; W521-H601 PolarHBondContact NE1-ND1 3.35Å; W521-G604 PolarHBondContact NE1-O 3.19Å; W521-P606 HydrophobicContact CD2-CB 3.76Å; W521-P606 HydrophobicContact CD2-CG 4.17Å; W521-P606 HydrophobicContact CE3-CB 4.28Å; W521-P606 HydrophobicContact CE3-CG 4.47Å; W521-P606 HydrophobicContact CG-CB 3.93Å; W521-P606 HydrophobicContact CH2-CG 4.14Å; W521-P606 HydrophobicContact CZ2-CB 4.26Å; W521-P606 HydrophobicContact CZ2-CG 3.79Å; W521-P606 HydrophobicContact CZ3-CG 4.46Å
522N85.5Confident76.4Confident24 Ų2473.3 Ų73.313%0.12844%0.438CS..  trans-62.7106.7-173.2-178-1.1000110.5L510 S513 D520 G524 H601 Q603L510-N522 HydrophobicContact CD2-CB 4.41Å; S513-N522 WeakPolarHBondContact CB-OD1 3.48Å; S513-N522 PolarHBondContact OG-OD1 3.38Å; D520-N522 PolarHBondContact O-N 2.81Å; N522-G524 VanDerWaalsContact C-N 3.27Å; N522-G524 WeakPolarHBondContact OD1-CA 3.45Å; N522-G524 PolarHBondContact OD1-N 3.12Å; N522-H601 PolarHBondContact O-NE2 3.12Å; N522-H601 VanDerWaalsContact O-NE2 3.17Å; N522-Q603 VanDerWaalsContact CB-OE1 3.22Å
523K83.1Confident76.6Confident81 Ų8170.3 Ų70.335%0.35243%0.427SS..  trans-83.7-3.5177.5-51-166.2-167.4-1490113W521 D573 D576W521-K523 HydrophobicContact CE3-CG 4.3Å; W521-K523 WeakPolarHBondContact O-CG 3.45Å; W521-K523 PolarHBondContact O-N 3.42Å; W521-K523 VanDerWaalsContact O-N 3.12Å; K523-D573 HydrophobicContact CD-CB 4.15Å; K523-D573 WeakPolarHBondContact CD-OD2 3.26Å; K523-D573 WeakPolarHBondContact CE-OD2 3.09Å; K523-D573 IonicContact NZ-OD2 2.74Å; K523-D573 PolarHBondContact NZ-OD2 2.87Å; K523-D576 IonicContact NZ-OD1 3.03Å; K523-D576 PolarHBondContact NZ-OD1 3.04Å; K523-D576 IonicContact NZ-OD2 3.66Å
524G87.3Confident77.3Confident21 Ų2172.8 Ų72.822%0.21645%0.45CS..  trans64.6-175.6-172.100000113.5L509 N522L509-G524 CarbonylContact O-C 3.58Å; L509-G524 WeakPolarHBondContact O-CA 3.49Å; N522-G524 VanDerWaalsContact C-N 3.27Å; N522-G524 WeakPolarHBondContact OD1-CA 3.45Å; N522-G524 PolarHBondContact OD1-N 3.12Å
525G88.7Confident78.9Confident22 Ų2266.7 Ų66.723%0.22742%0.423CS..  trans-86-158169.300000112.9L509L509-G525 PolarHBondContact O-N 3.35Å
526C90.5Very high80.3Confident74 Ų7463.9 Ų63.950%0.539%0.391SS..EExtended strand (participates in β ladder)trans-136.3144.8174.9750000110.7T568 V569 R570C526-T568 HydrophobicContact CB-CG2 3.74Å; C526-V569 WeakPolarHBondContact CA-O 3.3Å; C526-R570 HydrophobicContact CB-CB 4.39Å
527L91.5Very high82.1Confident15 Ų1566.1 Ų66.18%0.07940%0.396CS..EExtended strand (participates in β ladder)trans-130.3141.9178.7-70.4171.5000109.9A508 L509 M512 E531 V532 L535 T568 V569A508-L527 HydrophobicContact CB-CD1 4.26Å; L509-L527 HydrophobicContact CD2-CB 4.03Å; L509-L527 HydrophobicContact CD2-CD1 3.91Å; L509-L527 HydrophobicContact CD2-CG 3.76Å; L509-L527 HydrophobicContact CG-CD1 4.27Å; M512-L527 HydrophobicContact CE-CD2 3.61Å; M512-L527 HydrophobicContact CE-CG 4.33Å; M512-L527 HydrophobicContact SD-CD1 4.22Å; M512-L527 HydrophobicContact SD-CD2 3.6Å; M512-L527 HydrophobicContact SD-CG 3.73Å; L527-E531 HydrophobicContact CB-CB 4.34Å; L527-E531 HydrophobicContact CD2-CB 3.97Å; L527-V532 HydrophobicContact CB-CG2 3.7Å; L527-V532 HydrophobicContact CD1-CG2 4.22Å; L527-L535 HydrophobicContact CD1-CD1 3.81Å; L527-T568 CarbonylContact O-C 3.5Å; L527-T568 WeakPolarHBondContact O-CA 3.49Å; L527-T568 WeakPolarHBondContact O-CG2 3.41Å; L527-V569 PolarHBondContact N-O 3.45Å; L527-V569 PolarHBondContact O-N 3.3Å
528S91.3Very high83.6Confident38 Ų3867.8 Ų67.827%0.26639%0.392SS..EExtended strand (participates in β ladder)trans-67152.7166.6690000110.6R530 E531 V532 G567S528-R530 PolarHBondContact O-N 3.5Å; S528-E531 WeakPolarHBondContact CA-OE2 3.49Å; S528-E531 VanDerWaalsContact CB-OE2 3.23Å; S528-E531 WeakPolarHBondContact CB-OE2 3.46Å; S528-E531 PolarHBondContact N-OE2 2.87Å; S528-E531 PolarHBondContact O-N 3.27Å; S528-E531 VanDerWaalsContact OG-CD 3.25Å; S528-E531 VanDerWaalsContact OG-CG 3.3Å; S528-E531 WeakPolarHBondContact OG-CG 3Å; S528-E531 PolarHBondContact OG-N 3.44Å; S528-E531 PolarHBondContact OG-OE2 2.87Å; S528-V532 WeakPolarHBondContact O-CG2 3.43Å; S528-V532 PolarHBondContact O-N 3.27Å; S528-G567 WeakPolarHBondContact CA-O 3.37Å
529V87.3Confident84.8Confident32 Ų3268.6 Ų68.619%0.19438%0.381CS..Hα-helixtrans-55.9-27.8175173.30000111.8A533 L551 Q552 G567 V569V529-A533 WeakPolarHBondContact O-CB 3.44Å; V529-A533 PolarHBondContact O-N 2.96Å; V529-L551 HydrophobicContact CG1-CD2 4.43Å; V529-Q552 HydrophobicContact CG1-CB 4.37Å; V529-Q552 HydrophobicContact CG2-CG 4.25Å; V529-G567 WeakPolarHBondContact CG2-O 3.3Å; V529-G567 PolarHBondContact N-O 2.86Å; V529-V569 HydrophobicContact CG2-CG2 3.91Å
530R87.4Confident85.7Confident217 Ų21766.4 Ų66.482%0.81935%0.352SS*.Hα-helixtrans-69.6-44.4175.6-171.8-180-172.6177.11.9112.1S528 A533 A534S528-R530 PolarHBondContact O-N 3.5Å; R530-A533 WeakPolarHBondContact O-CB 3.48Å; R530-A533 PolarHBondContact O-N 3.36Å; R530-A534 PolarHBondContact O-N 3.49Å; R530-A534 VanDerWaalsContact O-N 3.08Å
531E88.4Confident86.1Confident101 Ų10162.5 Ų62.547%0.47233%0.331SS..Hα-helixtrans-66.5-40.7175.9-69.9157.2141.800110.7L527 S528 A533 A534 L535L527-E531 HydrophobicContact CB-CB 4.34Å; L527-E531 HydrophobicContact CD2-CB 3.97Å; S528-E531 WeakPolarHBondContact CA-OE2 3.49Å; S528-E531 VanDerWaalsContact CB-OE2 3.23Å; S528-E531 WeakPolarHBondContact CB-OE2 3.46Å; S528-E531 PolarHBondContact N-OE2 2.87Å; S528-E531 PolarHBondContact O-N 3.27Å; S528-E531 VanDerWaalsContact OG-CD 3.25Å; S528-E531 VanDerWaalsContact OG-CG 3.3Å; S528-E531 WeakPolarHBondContact OG-CG 3Å; S528-E531 PolarHBondContact OG-N 3.44Å; S528-E531 PolarHBondContact OG-OE2 2.87Å; E531-A533 VanDerWaalsContact C-N 3.26Å; E531-A533 PolarHBondContact O-N 3.27Å; E531-A534 WeakPolarHBondContact O-CB 3.45Å; E531-A534 PolarHBondContact O-N 3.29Å; E531-L535 PolarHBondContact O-N 2.94Å
532V87.4Confident85.7Confident0 Ų065.7 Ų65.70%035%0.347CS..Hα-helixtrans-59.8-39.3173.2-176.60000111.3V505 L527 S528 A534 L535 L551 L555 V569V505-V532 HydrophobicContact CB-CG1 4.29Å; V505-V532 HydrophobicContact CG1-CG1 3.81Å; V505-V532 HydrophobicContact CG1-CG2 4.26Å; V505-V532 HydrophobicContact CG2-CG1 3.4Å; V505-V532 VanDerWaalsContact CG2-CG1 3.4Å; L527-V532 HydrophobicContact CB-CG2 3.7Å; L527-V532 HydrophobicContact CD1-CG2 4.22Å; S528-V532 WeakPolarHBondContact O-CG2 3.43Å; S528-V532 PolarHBondContact O-N 3.27Å; V532-A534 VanDerWaalsContact C-N 3.32Å; V532-A534 PolarHBondContact O-N 3.03Å; V532-L535 WeakPolarHBondContact O-CB 3.48Å; V532-L535 PolarHBondContact O-N 3.47Å; V532-L551 HydrophobicContact CB-CD2 4.18Å; V532-L551 HydrophobicContact CG1-CD1 4.33Å; V532-L551 HydrophobicContact CG1-CD2 3.93Å; V532-L551 HydrophobicContact CG1-CG 4.45Å; V532-L555 HydrophobicContact CG1-CD1 4.2Å; V532-V569 HydrophobicContact CG2-CB 4.24Å; V532-V569 HydrophobicContact CG2-CG2 4.08Å
533A87.3Confident85.3Confident27 Ų2767.7 Ų67.722%0.22336%0.357CS..Hα-helixtrans-63.8-37.817500000112.2V529 R530 E531 L535 L536 L541 L551V529-A533 WeakPolarHBondContact O-CB 3.44Å; V529-A533 PolarHBondContact O-N 2.96Å; R530-A533 WeakPolarHBondContact O-CB 3.48Å; R530-A533 PolarHBondContact O-N 3.36Å; E531-A533 VanDerWaalsContact C-N 3.26Å; E531-A533 PolarHBondContact O-N 3.27Å; A533-L535 PolarHBondContact O-N 3.47Å; A533-L536 PolarHBondContact O-N 3.44Å; A533-L536 VanDerWaalsContact O-N 3.12Å; A533-L541 HydrophobicContact CB-CD2 4.06Å; A533-L541 WeakPolarHBondContact O-CD1 3.02Å; A533-L551 HydrophobicContact CB-CD2 3.75Å
534A88.6Confident84.9Confident86 Ų8664 Ų6471%0.71134%0.341SS*.Hα-helixtrans-66.2-20.9177.600000113.4R530 E531 V532 L536R530-A534 PolarHBondContact O-N 3.49Å; R530-A534 VanDerWaalsContact O-N 3.08Å; E531-A534 WeakPolarHBondContact O-CB 3.45Å; E531-A534 PolarHBondContact O-N 3.29Å; V532-A534 VanDerWaalsContact C-N 3.32Å; V532-A534 PolarHBondContact O-N 3.03Å; A534-L536 VanDerWaalsContact C-N 3.32Å
535L86.6Confident84.2Confident63 Ų6369.6 Ų69.633%0.3336%0.36SS..THydrogen-bonded Turntrans-77.8-15.6174.5-62.1174.4000113.2K504 A508 L527 E531 V532 A533K504-L535 WeakPolarHBondContact CE-O 3.45Å; K504-L535 PolarHBondContact NZ-O 2.97Å; A508-L535 HydrophobicContact CB-CD1 3.5Å; A508-L535 VanDerWaalsContact CB-CD1 3.5Å; L527-L535 HydrophobicContact CD1-CD1 3.81Å; E531-L535 PolarHBondContact O-N 2.94Å; V532-L535 WeakPolarHBondContact O-CB 3.48Å; V532-L535 PolarHBondContact O-N 3.47Å; A533-L535 PolarHBondContact O-N 3.47Å
536L87.6Confident83.1Confident16 Ų1673.3 Ų73.38%0.08437%0.374CS..SBendtrans-99.3147.9-175.2-59.6-179.6000111.5V501 K504 A533 A534 L541 L544 L551V501-L536 HydrophobicContact CG1-CD1 3.99Å; V501-L536 HydrophobicContact CG1-CD2 4.15Å; V501-L536 HydrophobicContact CG2-CD1 4.43Å; V501-L536 HydrophobicContact CG2-CD2 4.14Å; K504-L536 HydrophobicContact CD-CD2 4.27Å; A533-L536 PolarHBondContact O-N 3.44Å; A533-L536 VanDerWaalsContact O-N 3.12Å; A534-L536 VanDerWaalsContact C-N 3.32Å; L536-L541 HydrophobicContact CB-CD2 3.98Å; L536-L541 HydrophobicContact CB-CG 4.03Å; L536-L541 HydrophobicContact CD1-CD2 4.04Å; L536-L544 HydrophobicContact CD1-CD1 4.12Å; L536-L551 HydrophobicContact CD1-CD1 3.55Å; L536-L551 HydrophobicContact CD1-CD2 4.16Å; L536-L551 HydrophobicContact CD1-CG 4.46Å
537Q85.6Confident82Confident122 Ų12272.1 Ų72.157%0.5736%0.362SS*.  trans-66.8149.8174.7-70.1173.5-9.600110.6E539 T540 L541Q537-E539 PolarHBondContact O-N 2.95Å; Q537-T540 WeakPolarHBondContact O-CB 3.2Å; Q537-T540 PolarHBondContact O-N 3.25Å; Q537-T540 VanDerWaalsContact O-N 3.1Å; Q537-L541 PolarHBondContact O-N 3.03Å
538Q79.9Confident80.1Confident140 Ų14074.2 Ų74.265%0.65438%0.377SS*.Hα-helixtrans-56.9-36.4-178.3-169.671.70.700112.3L541 Q542Q538-L541 PolarHBondContact O-N 2.91Å; Q538-Q542 WeakPolarHBondContact O-CB 3.48Å; Q538-Q542 PolarHBondContact O-N 2.88Å
539E79.9Confident78.7Confident155 Ų15573.2 Ų73.272%0.72437%0.372SS*.Hα-helixtrans-63.8-45.1177.2-67.6161.7-166.400111.9Q537 Q542 L543Q537-E539 PolarHBondContact O-N 2.95Å; E539-Q542 PolarHBondContact O-N 3.18Å; E539-L543 PolarHBondContact O-N 3.26Å
540T79.3Confident78.3Confident29 Ų2972.6 Ų72.618%0.17837%0.373CS..Hα-helixtrans-63.5-42175.4-44.50000111.3V497 V501 Q537 Q542 L543 L544V497-T540 HydrophobicContact CG1-CG2 4.39Å; V501-T540 HydrophobicContact CG2-CG2 3.64Å; Q537-T540 WeakPolarHBondContact O-CB 3.2Å; Q537-T540 PolarHBondContact O-N 3.25Å; Q537-T540 VanDerWaalsContact O-N 3.1Å; T540-Q542 VanDerWaalsContact C-N 3.33Å; T540-Q542 PolarHBondContact O-N 3.11Å; T540-L543 PolarHBondContact O-N 2.98Å; T540-L544 HydrophobicContact CG2-CD1 4.27Å; T540-L544 WeakPolarHBondContact O-CB 2.95Å; T540-L544 WeakPolarHBondContact O-CG 3.46Å; T540-L544 PolarHBondContact O-N 2.95Å
541L79.1Confident78.1Confident28 Ų2863 Ų6315%0.14734%0.338CS..Hα-helixtrans-64.7-37.6176.7-68.4174.1000112.2A533 L536 Q537 Q538 L544 K545A533-L541 HydrophobicContact CB-CD2 4.06Å; A533-L541 WeakPolarHBondContact O-CD1 3.02Å; L536-L541 HydrophobicContact CB-CD2 3.98Å; L536-L541 HydrophobicContact CB-CG 4.03Å; L536-L541 HydrophobicContact CD1-CD2 4.04Å; Q537-L541 PolarHBondContact O-N 3.03Å; Q538-L541 PolarHBondContact O-N 2.91Å; L541-L544 PolarHBondContact O-N 2.84Å; L541-K545 WeakPolarHBondContact O-CB 3.3Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3.06Å
542Q76.8Confident77.9Confident89 Ų8961.9 Ų61.942%0.41633%0.332SS..Hα-helixtrans-68.2-41.3177-164.963.223.400111.2Q538 E539 T540 L544 K545 N546Q538-Q542 WeakPolarHBondContact O-CB 3.48Å; Q538-Q542 PolarHBondContact O-N 2.88Å; E539-Q542 PolarHBondContact O-N 3.18Å; T540-Q542 VanDerWaalsContact C-N 3.33Å; T540-Q542 PolarHBondContact O-N 3.11Å; Q542-L544 PolarHBondContact O-N 3.05Å; Q542-K545 PolarHBondContact O-N 3.08Å; Q542-N546 WeakPolarHBondContact O-CB 3.44Å; Q542-N546 PolarHBondContact O-N 2.72Å; Q542-N546 PolarHBondContact O-ND2 2.65Å; Q542-N546 PolarHBondContact O-OD1 3.29Å
543L77.3Confident77.7Confident66 Ų6664 Ų6435%0.34635%0.345SS..Hα-helixtrans-59.8-45.3172.9-170.473.1000111.6L493 V497 E539 T540 K545 N546 E547L493-L543 HydrophobicContact CD2-CD2 3.7Å; L493-L543 HydrophobicContact CD2-CG 3.77Å; V497-L543 HydrophobicContact CG1-CD2 4.04Å; E539-L543 PolarHBondContact O-N 3.26Å; T540-L543 PolarHBondContact O-N 2.98Å; L543-K545 VanDerWaalsContact C-N 3.33Å; L543-K545 PolarHBondContact O-N 3.34Å; L543-N546 PolarHBondContact O-N 2.74Å; L543-E547 PolarHBondContact O-N 3.41Å; L543-E547 VanDerWaalsContact O-N 3.17Å
544L76.1Confident77.7Confident2 Ų262.8 Ų62.81%0.0134%0.335CS..Hα-helixtrans-65.2-33.2177.5-68.8170.9000113.3L493 L536 T540 L541 Q542 G550 L551 L554L493-L544 HydrophobicContact CD1-CD2 3.55Å; L536-L544 HydrophobicContact CD1-CD1 4.12Å; T540-L544 HydrophobicContact CG2-CD1 4.27Å; T540-L544 WeakPolarHBondContact O-CB 2.95Å; T540-L544 WeakPolarHBondContact O-CG 3.46Å; T540-L544 PolarHBondContact O-N 2.95Å; L541-L544 PolarHBondContact O-N 2.84Å; Q542-L544 PolarHBondContact O-N 3.05Å; L544-G550 WeakPolarHBondContact O-CA 3.44Å; L544-G550 PolarHBondContact O-N 3.01Å; L544-L551 HydrophobicContact CD1-CB 4.38Å; L544-L551 HydrophobicContact CD1-CD1 4.11Å; L544-L554 HydrophobicContact CD2-CB 4.37Å; L544-L554 HydrophobicContact CD2-CD1 3.46Å; L544-L554 VanDerWaalsContact CD2-CD1 3.46Å
545K71.6Confident77.6Confident139 Ų13958.7 Ų58.760%0.60430%0.301SS*.Hα-helixtrans-69.5-39.8173.5-78.7176.3180176.90111.7L541 Q542 L543 E547 C548L541-K545 WeakPolarHBondContact O-CB 3.3Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3.06Å; Q542-K545 PolarHBondContact O-N 3.08Å; L543-K545 VanDerWaalsContact C-N 3.33Å; L543-K545 PolarHBondContact O-N 3.34Å; K545-E547 VanDerWaalsContact C-N 3.33Å; K545-E547 PolarHBondContact O-N 3.18Å; K545-C548 PolarHBondContact O-N 3.05Å
546N66.3Low77.5Confident100 Ų10061 Ų6154%0.53531%0.308SS..Hα-helixtrans-67.1-33.1-179.5-68.5-13.2000112.4Q542 L543 C548Q542-N546 WeakPolarHBondContact O-CB 3.44Å; Q542-N546 PolarHBondContact O-N 2.72Å; Q542-N546 PolarHBondContact O-ND2 2.65Å; Q542-N546 PolarHBondContact O-OD1 3.29Å; L543-N546 PolarHBondContact O-N 2.74Å; N546-C548 PolarHBondContact O-N 3Å; N546-C548 VanDerWaalsContact O-N 3.14Å; N546-C548 PolarHBondContact O-SG 3.42Å; N546-C548 VanDerWaalsContact O-SG 3.39Å
547E66.3Low77.3Confident50 Ų5064 Ų6423%0.23433%0.325CS..THydrogen-bonded Turntrans-76.59.9175-69-61.7124.100114.3R488 L493 L543 K545 G549R488-E547 CarbonylContact C-O 3.56Å; R488-E547 VanDerWaalsContact CA-O 3.32Å; R488-E547 WeakPolarHBondContact CA-O 3.02Å; L493-E547 HydrophobicContact CD2-CG 3.63Å; L493-E547 HydrophobicContact CG-CG 4.01Å; L543-E547 PolarHBondContact O-N 3.41Å; L543-E547 VanDerWaalsContact O-N 3.17Å; K545-E547 VanDerWaalsContact C-N 3.33Å; K545-E547 PolarHBondContact O-N 3.18Å; E547-G549 PolarHBondContact O-N 3Å
548C53.1Low77.4Confident58 Ų5860.1 Ų60.139%0.39231%0.308SS..THydrogen-bonded Turntrans5513.1168.6-61.90000117.2R488 K545 N546R488-C548 HydrophobicContact CB-CB 3.56Å; R488-C548 HydrophobicContact CG-CB 3.38Å; K545-C548 PolarHBondContact O-N 3.05Å; N546-C548 PolarHBondContact O-N 3Å; N546-C548 VanDerWaalsContact O-N 3.14Å; N546-C548 PolarHBondContact O-SG 3.42Å; N546-C548 VanDerWaalsContact O-SG 3.39Å
549G61.6Low77.6Confident17 Ų1757.4 Ų57.418%0.17530%0.295CS..SBendtrans-109.5-27.6169.700000113.3E547 T553E547-G549 PolarHBondContact O-N 3Å; G549-T553 WeakPolarHBondContact O-CB 3.38Å; G549-T553 PolarHBondContact O-OG1 3.08Å
550G78.6Confident78Confident20 Ų2051.2 Ų51.221%0.20627%0.266CS..Hα-helixtrans66.8174-17700000114.3L544 Q552 T553 L554L544-G550 WeakPolarHBondContact O-CA 3.44Å; L544-G550 PolarHBondContact O-N 3.01Å; G550-Q552 VanDerWaalsContact C-N 3.3Å; G550-Q552 PolarHBondContact O-N 3.1Å; G550-T553 PolarHBondContact O-N 3.06Å; G550-T553 VanDerWaalsContact O-N 3.14Å; G550-L554 PolarHBondContact O-N 3.39Å
551L83.2Confident78.5Confident15 Ų1550 Ų508%0.07926%0.258CS..Hα-helixtrans-55.3-41.6-177.3177.359.4000113.1V501 V529 V532 A533 L536 L544 T553 L554 L555V501-L551 HydrophobicContact CG1-CD1 4.29Å; V529-L551 HydrophobicContact CG1-CD2 4.43Å; V532-L551 HydrophobicContact CB-CD2 4.18Å; V532-L551 HydrophobicContact CG1-CD1 4.33Å; V532-L551 HydrophobicContact CG1-CD2 3.93Å; V532-L551 HydrophobicContact CG1-CG 4.45Å; A533-L551 HydrophobicContact CB-CD2 3.75Å; L536-L551 HydrophobicContact CD1-CD1 3.55Å; L536-L551 HydrophobicContact CD1-CD2 4.16Å; L536-L551 HydrophobicContact CD1-CG 4.46Å; L544-L551 HydrophobicContact CD1-CB 4.38Å; L544-L551 HydrophobicContact CD1-CD1 4.11Å; L551-T553 VanDerWaalsContact C-N 3.29Å; L551-T553 PolarHBondContact O-N 3.38Å; L551-L554 PolarHBondContact O-N 2.82Å; L551-L555 HydrophobicContact CD1-CD1 4.21Å; L551-L555 HydrophobicContact CD1-CG 4.21Å; L551-L555 HydrophobicContact CG-CD1 4.07Å; L551-L555 WeakPolarHBondContact O-CG 3.43Å; L551-L555 PolarHBondContact O-N 3.19Å
552Q84.8Confident79.1Confident78 Ų7848.9 Ų48.936%0.36425%0.252SS..Hα-helixtrans-63-35.8-178.9-166.3-177.710.300112.5V529 G550 K556 V564V529-Q552 HydrophobicContact CG1-CB 4.37Å; V529-Q552 HydrophobicContact CG2-CG 4.25Å; G550-Q552 VanDerWaalsContact C-N 3.3Å; G550-Q552 PolarHBondContact O-N 3.1Å; Q552-K556 HydrophobicContact CG-CD 4.47Å; Q552-K556 WeakPolarHBondContact O-CB 3.4Å; Q552-K556 WeakPolarHBondContact O-CG 2.87Å; Q552-K556 PolarHBondContact O-N 3.46Å; Q552-V564 HydrophobicContact CG-CG1 4.11Å
553T83.3Confident79.7Confident44 Ų4446.5 Ų46.527%0.2724%0.241SC..Hα-helixtrans-71.9-39.9177.7-61.50000111.1G549 G550 L551 L555 K556 N557G549-T553 WeakPolarHBondContact O-CB 3.38Å; G549-T553 PolarHBondContact O-OG1 3.08Å; G550-T553 PolarHBondContact O-N 3.06Å; G550-T553 VanDerWaalsContact O-N 3.14Å; L551-T553 VanDerWaalsContact C-N 3.29Å; L551-T553 PolarHBondContact O-N 3.38Å; T553-L555 VanDerWaalsContact C-N 3.33Å; T553-L555 PolarHBondContact O-N 3.05Å; T553-K556 PolarHBondContact O-N 3.1Å; T553-N557 WeakPolarHBondContact O-CB 3.41Å; T553-N557 PolarHBondContact O-N 3.21Å; T553-N557 PolarHBondContact O-ND2 3.25Å
554L85.6Confident80.2Confident2 Ų244.6 Ų44.61%0.0123%0.232CC..Hα-helixtrans-58.2-45.9173.6-178148.3000111.4L493 V498 V501 V502 L544 G550 L551 K556 N557 N558L493-L554 HydrophobicContact CD1-CD1 3.9Å; V498-L554 HydrophobicContact CG1-CD1 4.42Å; V498-L554 HydrophobicContact CG2-CD1 4.22Å; V501-L554 HydrophobicContact CB-CD2 4.37Å; V501-L554 HydrophobicContact CG1-CD2 3.72Å; V502-L554 HydrophobicContact CG2-CD2 4.39Å; L544-L554 HydrophobicContact CD2-CB 4.37Å; L544-L554 HydrophobicContact CD2-CD1 3.46Å; L544-L554 VanDerWaalsContact CD2-CD1 3.46Å; G550-L554 PolarHBondContact O-N 3.39Å; L551-L554 PolarHBondContact O-N 2.82Å; L554-K556 PolarHBondContact O-N 2.97Å; L554-N557 PolarHBondContact O-N 3.12Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-N558 VanDerWaalsContact O-N 3.12Å; L554-N558 PolarHBondContact O-ND2 2.96Å
555L87Confident80.7Confident0 Ų048.5 Ų48.50%025%0.25CS..Hα-helixtrans-65-40.2178.5-63.8170.4000112V505 V532 L551 T553 N558 F562 V564 V569V505-L555 HydrophobicContact CG1-CD2 4.22Å; V532-L555 HydrophobicContact CG1-CD1 4.2Å; L551-L555 HydrophobicContact CD1-CD1 4.21Å; L551-L555 HydrophobicContact CD1-CG 4.21Å; L551-L555 HydrophobicContact CG-CD1 4.07Å; L551-L555 WeakPolarHBondContact O-CG 3.43Å; L551-L555 PolarHBondContact O-N 3.19Å; T553-L555 VanDerWaalsContact C-N 3.33Å; T553-L555 PolarHBondContact O-N 3.05Å; L555-N558 CarbonylContact O-C 3.46Å; L555-N558 PolarHBondContact O-N 2.73Å; L555-F562 HydrophobicContact CB-CD2 4.44Å; L555-F562 HydrophobicContact CD2-CD2 3.61Å; L555-F562 HydrophobicContact CD2-CE2 3.61Å; L555-F562 HydrophobicContact CD2-CG 4.26Å; L555-F562 HydrophobicContact CD2-CZ 4.29Å; L555-V564 HydrophobicContact CB-CG2 3.77Å; L555-V569 HydrophobicContact CD1-CG1 4.18Å; L555-V569 HydrophobicContact CD1-CG2 3.65Å; L555-V569 HydrophobicContact CD2-CG1 4.5Å
556K84.6Confident81.1Confident110 Ų11046.2 Ų46.248%0.47827%0.266SS..Hα-helixtrans-65.2-36.6174.8-78174.7174.8176.70112.9Q552 T553 L554 N558 H559 V564Q552-K556 HydrophobicContact CG-CD 4.47Å; Q552-K556 WeakPolarHBondContact O-CB 3.4Å; Q552-K556 WeakPolarHBondContact O-CG 2.87Å; Q552-K556 PolarHBondContact O-N 3.46Å; T553-K556 PolarHBondContact O-N 3.1Å; L554-K556 PolarHBondContact O-N 2.97Å; K556-N558 VanDerWaalsContact C-N 3.31Å; K556-H559 PolarHBondContact O-N 2.74Å; K556-V564 HydrophobicContact CG-CB 4.04Å; K556-V564 HydrophobicContact CG-CG1 4.37Å; K556-V564 HydrophobicContact CG-CG2 4.26Å
557N84.1Confident81.9Confident81 Ų8143 Ų4343%0.43326%0.256SS..Hα-helixtrans-68.3-33.5177.8-72.7-15000111.7N489 T553 L554 H559N489-N557 PolarHBondContact O-ND2 3.19Å; T553-N557 WeakPolarHBondContact O-CB 3.41Å; T553-N557 PolarHBondContact O-N 3.21Å; T553-N557 PolarHBondContact O-ND2 3.25Å; L554-N557 PolarHBondContact O-N 3.12Å; N557-H559 PolarHBondContact O-N 3.35Å; N557-H559 PolarHBondContact O-ND1 2.98Å
558N86.4Confident83Confident39 Ų3942.9 Ų42.921%0.20926%0.259CS..THydrogen-bonded Turntrans-82.245.9173.1-69.9-68.1000112.5V502 L554 L555 K556 Q560 V561 F562V502-N558 HydrophobicContact CG2-CB 3.96Å; V502-N558 VanDerWaalsContact CG2-CG 3.42Å; V502-N558 WeakPolarHBondContact CG2-ND2 3.49Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-N558 VanDerWaalsContact O-N 3.12Å; L554-N558 PolarHBondContact O-ND2 2.96Å; L555-N558 CarbonylContact O-C 3.46Å; L555-N558 PolarHBondContact O-N 2.73Å; K556-N558 VanDerWaalsContact C-N 3.31Å; N558-Q560 PolarHBondContact O-N 2.93Å; N558-V561 PolarHBondContact O-N 3.44Å; N558-F562 HydrophobicContact CB-CD2 4.2Å; N558-F562 PolarHBondContact O-N 3.29Å; N558-F562 VanDerWaalsContact O-N 3.08Å
559H85.6Confident84.8Confident83 Ų8340.1 Ų40.138%0.38424%0.24SC..THydrogen-bonded Turntrans-59.4-17.5-177.672.7-76.9000115.3K556 N557 V561 R572K556-H559 PolarHBondContact O-N 2.74Å; N557-H559 PolarHBondContact O-N 3.35Å; N557-H559 PolarHBondContact O-ND1 2.98Å; H559-V561 VanDerWaalsContact C-N 3.31Å; H559-R572 WeakPolarHBondContact O-CD 3.27Å; H559-R572 PolarHBondContact O-NH1 3.41Å
560Q87.4Confident86.3Confident26 Ų2643.3 Ų43.312%0.12125%0.247CC..THydrogen-bonded Turntrans-62.9-43.8172.5-176.4176.724.700109.9N558 W574 L594 C595 W596 F597 F614N558-Q560 PolarHBondContact O-N 2.93Å; Q560-W574 PolarHBondContact O-NE1 3.13Å; Q560-L594 PolarHBondContact NE2-O 2.84Å; Q560-L594 VanDerWaalsContact NE2-O 3.14Å; Q560-C595 VanDerWaalsContact NE2-CA 3.34Å; Q560-W596 HydrophobicContact CG-CB 4.24Å; Q560-F597 HydrophobicContact CG-CE2 4.43Å; Q560-F597 WeakPolarHBondContact O-CE2 3.41Å; Q560-F597 WeakPolarHBondContact O-CZ 3.33Å; Q560-F614 HydrophobicContact CB-CE1 4.39Å; Q560-F614 HydrophobicContact CB-CE2 4.36Å; Q560-F614 HydrophobicContact CB-CZ 3.96Å; Q560-F614 HydrophobicContact CG-CD1 4.48Å; Q560-F614 HydrophobicContact CG-CD2 4.15Å; Q560-F614 HydrophobicContact CG-CE1 4.14Å; Q560-F614 HydrophobicContact CG-CE2 3.78Å; Q560-F614 HydrophobicContact CG-CG 4.49Å; Q560-F614 HydrophobicContact CG-CZ 3.78Å
561V89.3Confident86.9Confident2 Ų242.7 Ų42.71%0.01224%0.239CC..THydrogen-bonded Turntrans-95.7-45.2-170.7-171.20000111.7V502 A506 N558 H559 R572 W596V502-V561 HydrophobicContact CG1-CB 4.3Å; V502-V561 HydrophobicContact CG1-CG1 4.22Å; V502-V561 HydrophobicContact CG1-CG2 3.98Å; A506-V561 HydrophobicContact CB-CG1 4.35Å; N558-V561 PolarHBondContact O-N 3.44Å; H559-V561 VanDerWaalsContact C-N 3.31Å; V561-R572 WeakPolarHBondContact O-CB 3.47Å; V561-R572 PolarHBondContact O-N 3.03Å; V561-W596 HydrophobicContact CB-CD2 4.32Å; V561-W596 HydrophobicContact CB-CE3 4.36Å; V561-W596 HydrophobicContact CG1-CD2 3.99Å; V561-W596 HydrophobicContact CG1-CE3 3.78Å; V561-W596 HydrophobicContact CG1-CH2 4.06Å; V561-W596 HydrophobicContact CG1-CZ2 4.19Å; V561-W596 HydrophobicContact CG1-CZ3 3.83Å; V561-W596 HydrophobicContact CG2-CB 3.77Å; V561-W596 HydrophobicContact CG2-CD2 3.36Å; V561-W596 HydrophobicContact CG2-CE3 3.77Å; V561-W596 HydrophobicContact CG2-CG 3.32Å
562F92.1Very high87.1Confident5 Ų544.4 Ų44.42%0.02224%0.244CC..EExtended strand (participates in β ladder)trans-111.1146.2-169.9-58.3-59.1000113.7V502 V505 A506 L509 L555 N558 V564 V569 R570V502-F562 HydrophobicContact CB-CE2 4.19Å; V502-F562 HydrophobicContact CG1-CE2 3.84Å; V502-F562 HydrophobicContact CG1-CZ 4.13Å; V502-F562 HydrophobicContact CG2-CE2 4.1Å; V502-F562 WeakPolarHBondContact O-CZ 3.23Å; V505-F562 HydrophobicContact CB-CE1 4.27Å; V505-F562 HydrophobicContact CB-CZ 3.78Å; V505-F562 HydrophobicContact CG1-CE1 3.76Å; V505-F562 HydrophobicContact CG1-CE2 4.49Å; V505-F562 HydrophobicContact CG1-CZ 3.71Å; A506-F562 HydrophobicContact CB-CE1 4.23Å; A506-F562 HydrophobicContact CB-CZ 4.23Å; L509-F562 HydrophobicContact CD1-CD1 4.05Å; L509-F562 HydrophobicContact CD1-CE1 3.83Å; L555-F562 HydrophobicContact CB-CD2 4.44Å; L555-F562 HydrophobicContact CD2-CD2 3.61Å; L555-F562 HydrophobicContact CD2-CE2 3.61Å; L555-F562 HydrophobicContact CD2-CG 4.26Å; L555-F562 HydrophobicContact CD2-CZ 4.29Å; N558-F562 HydrophobicContact CB-CD2 4.2Å; N558-F562 PolarHBondContact O-N 3.29Å; N558-F562 VanDerWaalsContact O-N 3.08Å; F562-V564 HydrophobicContact CB-CG2 4.43Å; F562-V569 HydrophobicContact CB-CG1 4.23Å; F562-V569 HydrophobicContact CD1-CG1 3.94Å; F562-V569 HydrophobicContact CG-CG1 4.16Å; F562-R570 WeakPolarHBondContact CA-O 3.22Å
563K89.3Confident87.2Confident40 Ų4041.4 Ų41.417%0.17423%0.231CC..EExtended strand (participates in β ladder)trans-112.3119.9164.4179.9162.9178168.60108.8E565 R570 R572 E579K563-E565 WeakPolarHBondContact CE-OE1 3.27Å; K563-E565 WeakPolarHBondContact CE-OE2 3.41Å; K563-E565 HydrophobicContact CG-CG 4.29Å; K563-E565 IonicContact NZ-OE1 3.25Å; K563-E565 PolarHBondContact NZ-OE1 2.8Å; K563-E565 IonicContact NZ-OE2 3.68Å; K563-R570 HydrophobicContact CB-CG 3.88Å; K563-R570 HydrophobicContact CG-CG 4.41Å; K563-R570 PolarHBondContact N-O 3.24Å; K563-R570 PolarHBondContact O-N 3.14Å; K563-R572 HydrophobicContact CB-CB 4.4Å; K563-E579 IonicContact NZ-OE1 2.71Å; K563-E579 PolarHBondContact NZ-OE1 3.11Å
564V88.3Confident87.1Confident25 Ų2543.3 Ų43.315%0.15223%0.233CC..EExtended strand (participates in β ladder)trans-116.2105.5-176.2-174.50000109.9Q552 L555 K556 F562 T568 V569Q552-V564 HydrophobicContact CG-CG1 4.11Å; L555-V564 HydrophobicContact CB-CG2 3.77Å; K556-V564 HydrophobicContact CG-CB 4.04Å; K556-V564 HydrophobicContact CG-CG1 4.37Å; K556-V564 HydrophobicContact CG-CG2 4.26Å; F562-V564 HydrophobicContact CB-CG2 4.43Å; V564-T568 WeakPolarHBondContact CA-O 3.23Å; V564-V569 HydrophobicContact CG2-CG1 4.4Å; V564-V569 HydrophobicContact CG2-CG2 4.36Å
565E85.4Confident86.9Confident85 Ų8547.9 Ų47.940%0.39725%0.25SS..EExtended strand (participates in β ladder)trans-138.4140.9-178.5-66.4-178.7160.100110.3K563 G567 T568 R570K563-E565 WeakPolarHBondContact CE-OE1 3.27Å; K563-E565 WeakPolarHBondContact CE-OE2 3.41Å; K563-E565 HydrophobicContact CG-CG 4.29Å; K563-E565 IonicContact NZ-OE1 3.25Å; K563-E565 PolarHBondContact NZ-OE1 2.8Å; K563-E565 IonicContact NZ-OE2 3.68Å; E565-G567 PolarHBondContact O-N 2.85Å; E565-T568 PolarHBondContact N-O 3.39Å; E565-T568 PolarHBondContact O-N 2.78Å; E565-R570 IonicContact OE2-CZ 3.45Å; E565-R570 IonicContact OE2-NH1 3.37Å; E565-R570 PolarHBondContact OE2-NH1 2.83Å; E565-R570 IonicContact OE2-NH2 2.68Å; E565-R570 PolarHBondContact OE2-NH2 3.19Å
566G80.8Confident86.2Confident91 Ų9152.1 Ų52.194%0.93827%0.273SS*.THydrogen-bonded Turntrans61.516.517600000115.5T568G566-T568 VanDerWaalsContact C-N 3.33Å
567G83.9Confident84.9Confident32 Ų3249.3 Ų49.333%0.3328%0.276SS..THydrogen-bonded Turntrans84.66-173.600000114.4S528 V529 E565S528-G567 WeakPolarHBondContact CA-O 3.37Å; V529-G567 WeakPolarHBondContact CG2-O 3.3Å; V529-G567 PolarHBondContact N-O 2.86Å; E565-G567 PolarHBondContact O-N 2.85Å
568T88.4Confident83.5Confident48 Ų4851.7 Ų51.729%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-111146.6177.8-49.70000110.5C526 L527 V564 E565 G566C526-T568 HydrophobicContact CB-CG2 3.74Å; L527-T568 CarbonylContact O-C 3.5Å; L527-T568 WeakPolarHBondContact O-CA 3.49Å; L527-T568 WeakPolarHBondContact O-CG2 3.41Å; V564-T568 WeakPolarHBondContact CA-O 3.23Å; E565-T568 PolarHBondContact N-O 3.39Å; E565-T568 PolarHBondContact O-N 2.78Å; G566-T568 VanDerWaalsContact C-N 3.33Å
569V91.4Very high81.8Confident0 Ų054 Ų540%030%0.303CS..EExtended strand (participates in β ladder)trans-118.3130-176.9-171.90000107.8L509 C526 L527 V529 V532 L555 F562 V564L509-V569 HydrophobicContact CD1-CG1 4.26Å; C526-V569 WeakPolarHBondContact CA-O 3.3Å; L527-V569 PolarHBondContact N-O 3.45Å; L527-V569 PolarHBondContact O-N 3.3Å; V529-V569 HydrophobicContact CG2-CG2 3.91Å; V532-V569 HydrophobicContact CG2-CB 4.24Å; V532-V569 HydrophobicContact CG2-CG2 4.08Å; L555-V569 HydrophobicContact CD1-CG1 4.18Å; L555-V569 HydrophobicContact CD1-CG2 3.65Å; L555-V569 HydrophobicContact CD2-CG1 4.5Å; F562-V569 HydrophobicContact CB-CG1 4.23Å; F562-V569 HydrophobicContact CD1-CG1 3.94Å; F562-V569 HydrophobicContact CG-CG1 4.16Å; V564-V569 HydrophobicContact CG2-CG1 4.4Å; V564-V569 HydrophobicContact CG2-CG2 4.36Å
570R92.2Very high79.8Confident84 Ų8455 Ų5532%0.31732%0.319SS..EExtended strand (participates in β ladder)trans-138.916017568.7-172.8103.5122.56.8110.3C526 F562 K563 E565C526-R570 HydrophobicContact CB-CB 4.39Å; F562-R570 WeakPolarHBondContact CA-O 3.22Å; K563-R570 HydrophobicContact CB-CG 3.88Å; K563-R570 HydrophobicContact CG-CG 4.41Å; K563-R570 PolarHBondContact N-O 3.24Å; K563-R570 PolarHBondContact O-N 3.14Å; E565-R570 IonicContact OE2-CZ 3.45Å; E565-R570 IonicContact OE2-NH1 3.37Å; E565-R570 PolarHBondContact OE2-NH1 2.83Å; E565-R570 IonicContact OE2-NH2 2.68Å; E565-R570 PolarHBondContact OE2-NH2 3.19Å
571I91Very high77.7Confident6 Ų665.3 Ų65.33%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-69.3138.6171.5-66.8177.9000109L509 L510 W521 F597L509-I571 HydrophobicContact CB-CD1 3.96Å; L509-I571 HydrophobicContact CB-CG1 3.99Å; L509-I571 HydrophobicContact CD1-CG1 3.98Å; L510-I571 HydrophobicContact CD1-CD1 4.18Å; L510-I571 HydrophobicContact CD2-CD1 3.4Å; L510-I571 VanDerWaalsContact CD2-CD1 3.4Å; L510-I571 HydrophobicContact CG-CD1 3.41Å; L510-I571 VanDerWaalsContact CG-CD1 3.41Å; W521-I571 HydrophobicContact CH2-CG2 3.86Å; W521-I571 HydrophobicContact CZ3-CG2 4.23Å; I571-F597 HydrophobicContact CG2-CE1 3.74Å; I571-F597 HydrophobicContact CG2-CZ 4.37Å
572R88.3Confident75.7Confident51 Ų5176.1 Ų76.119%0.19240%0.397CS..  trans-82.5119.4-177.8-169.8169.6-165168.49110.5H559 V561 K563 E579 F597H559-R572 WeakPolarHBondContact O-CD 3.27Å; H559-R572 PolarHBondContact O-NH1 3.41Å; V561-R572 WeakPolarHBondContact O-CB 3.47Å; V561-R572 PolarHBondContact O-N 3.03Å; K563-R572 HydrophobicContact CB-CB 4.4Å; R572-E579 IonicContact NH2-OE2 3.18Å; R572-E579 PolarHBondContact NH2-OE2 3.35Å; R572-F597 VanDerWaalsContact O-CZ 3.26Å; R572-F597 WeakPolarHBondContact O-CZ 3.42Å
573D86.6Confident73.2Confident15 Ų1587 Ų878%0.0844%0.438CS..  trans-92115.4168-169.3-11.7000110.1W521 K523 R575W521-D573 HydrophobicContact CZ3-CB 4.47Å; K523-D573 HydrophobicContact CD-CB 4.15Å; K523-D573 WeakPolarHBondContact CD-OD2 3.26Å; K523-D573 WeakPolarHBondContact CE-OD2 3.09Å; K523-D573 IonicContact NZ-OD2 2.74Å; K523-D573 PolarHBondContact NZ-OD2 2.87Å; D573-R575 VanDerWaalsContact C-N 3.25Å; D573-R575 PolarHBondContact O-N 3.45Å; D573-R575 VanDerWaalsContact OD1-CB 3.3Å; D573-R575 WeakPolarHBondContact OD1-CB 3.32Å; D573-R575 WeakPolarHBondContact OD1-CG 3.39Å; D573-R575 IonicContact OD1-CZ 3.82Å; D573-R575 PolarHBondContact OD1-N 3.37Å; D573-R575 IonicContact OD1-NE 2.98Å; D573-R575 PolarHBondContact OD1-NE 2.77Å; D573-R575 IonicContact OD1-NH2 3.74Å; D573-R575 IonicContact OD2-CZ 3.46Å; D573-R575 IonicContact OD2-NE 3.35Å; D573-R575 PolarHBondContact OD2-NE 3.28Å; D573-R575 IonicContact OD2-NH2 2.73Å; D573-R575 PolarHBondContact OD2-NH2 3.49Å
574W82Confident71.1Confident84 Ų8491 Ų9132%0.31847%0.468SS..THydrogen-bonded Turntrans-81.8-1-179.1-70.988.2000113.7Q560 F597 L607 F614Q560-W574 PolarHBondContact O-NE1 3.13Å; W574-F597 AromaticContact CD1-CE2 3.5Å; W574-F597 AromaticContact NE1-CE2 3.49Å; W574-L607 HydrophobicContact CB-CD1 3.82Å; W574-L607 HydrophobicContact CB-CD2 4.45Å; W574-L607 HydrophobicContact CB-CG 4.15Å; W574-F614 HydrophobicContact CZ2-CE2 4.36Å
575R80.2Confident69.4Low98 Ų9893 Ų9337%0.3749%0.487SS..THydrogen-bonded Turntrans-85.2-19.5173.5-58.9170.4-63.6165.210.2113D573 G577 P606 L607D573-R575 VanDerWaalsContact C-N 3.25Å; D573-R575 PolarHBondContact O-N 3.45Å; D573-R575 VanDerWaalsContact OD1-CB 3.3Å; D573-R575 WeakPolarHBondContact OD1-CB 3.32Å; D573-R575 WeakPolarHBondContact OD1-CG 3.39Å; D573-R575 IonicContact OD1-CZ 3.82Å; D573-R575 PolarHBondContact OD1-N 3.37Å; D573-R575 IonicContact OD1-NE 2.98Å; D573-R575 PolarHBondContact OD1-NE 2.77Å; D573-R575 IonicContact OD1-NH2 3.74Å; D573-R575 IonicContact OD2-CZ 3.46Å; D573-R575 IonicContact OD2-NE 3.35Å; D573-R575 PolarHBondContact OD2-NE 3.28Å; D573-R575 IonicContact OD2-NH2 2.73Å; D573-R575 PolarHBondContact OD2-NH2 3.49Å; R575-G577 PolarHBondContact O-N 2.9Å; R575-G577 VanDerWaalsContact O-N 3.11Å; R575-P606 HydrophobicContact CG-CB 4.14Å; R575-L607 HydrophobicContact CG-CD2 4.13Å
576D73.4Confident67.8Low89 Ų8993 Ų9348%0.47649%0.493SS..  trans-69.9106.1-177.4-73.8-10.1000110.9K523 T578K523-D576 IonicContact NZ-OD1 3.03Å; K523-D576 PolarHBondContact NZ-OD1 3.04Å; K523-D576 IonicContact NZ-OD2 3.66Å; D576-T578 VanDerWaalsContact C-N 3.27Å; D576-T578 PolarHBondContact O-N 3.04Å
577G56.8Low66.2Low52 Ų5294.8 Ų94.854%0.53649%0.488SS..G310 helixtrans-72-3.9-17100000116.9R575 E579 S580R575-G577 PolarHBondContact O-N 2.9Å; R575-G577 VanDerWaalsContact O-N 3.11Å; G577-E579 PolarHBondContact O-N 2.86Å; G577-S580 PolarHBondContact O-N 3.46Å; G577-S580 PolarHBondContact O-OG 3.29Å
578T54.1Low65Low130 Ų13094.2 Ų94.280%0.79848%0.482SS*.G310 helixtrans-65.7-15-178.438.10000114.1D576D576-T578 VanDerWaalsContact C-N 3.27Å; D576-T578 PolarHBondContact O-N 3.04Å
579E51.1Low63.9Low88 Ų8893.4 Ų93.441%0.41148%0.48SS..G310 helixtrans-113.73.7177.7-74.5-172.8-16300114.8K563 R572 G577 R581K563-E579 IonicContact NZ-OE1 2.71Å; K563-E579 PolarHBondContact NZ-OE1 3.11Å; R572-E579 IonicContact NH2-OE2 3.18Å; R572-E579 PolarHBondContact NH2-OE2 3.35Å; G577-E579 PolarHBondContact O-N 2.86Å; E579-R581 PolarHBondContact O-N 3.07Å
580S43.6Very low63.3Low103 Ų10396.9 Ų96.972%0.7250%0.498SS*.THydrogen-bonded Turntrans-63.7-517864.40000114.7G577 R582G577-S580 PolarHBondContact O-N 3.46Å; G577-S580 PolarHBondContact O-OG 3.29Å; S580-R582 PolarHBondContact O-N 3.48Å
581R43.5Very low62.9Low243 Ų24393.5 Ų93.592%0.91749%0.486SS*.THydrogen-bonded Turntrans-89.222.6178.7-74-169.3175.4-173.40.1115.5E579E579-R581 PolarHBondContact O-N 3.07Å
582R46.6Very low62.5Low229 Ų22995.4 Ų95.486%0.86450%0.498SS*.SBendtrans-131.3122.4170.8-77.1-172177.2-179.71.4114.4S580S580-R582 PolarHBondContact O-N 3.48Å
583R39.9Very low62.3Low234 Ų234101 Ų10188%0.88352%0.519SS*.  trans44.1116.8166.7-66.6-172.9-179.9-173.4-0.4116.4A585R583-A585 PolarHBondContact O-N 3.1Å
584P46.1Very low62.3Low124 Ų124104.8 Ų104.881%0.80554%0.539SS*.PPolyproline II helixtrans-53.4144.216921.5-29.8000109.9V586P584-V586 PolarHBondContact O-N 2.83Å; P584-V586 VanDerWaalsContact O-N 3.13Å
585A52.3Low62.7Low66 Ų66100.9 Ų100.955%0.54552%0.524SS..PPolyproline II helixtrans-46.5124.3176.600000109R583R583-A585 PolarHBondContact O-N 3.1Å
586V52Low63.2Low87 Ų8797.3 Ų97.353%0.52751%0.511SS..PPolyproline II helixtrans-55.3126-179.5-176.10000107.7P584 G588 A589P584-V586 PolarHBondContact O-N 2.83Å; P584-V586 VanDerWaalsContact O-N 3.13Å; V586-G588 PolarHBondContact O-N 3.47Å; V586-G588 VanDerWaalsContact O-N 3.08Å; V586-A589 PolarHBondContact O-N 2.95Å
587P47.5Very low64Low127 Ų12793.2 Ų93.283%0.82549%0.489SS*.THydrogen-bonded Turntrans-50.1120.8178.9-25.832.8000109.9
588G58.9Low65.5Low21 Ų2195.4 Ų95.422%0.21649%0.485CS..THydrogen-bonded Turntrans100.99.7178.200000118.5V586 S624 T625V586-G588 PolarHBondContact O-N 3.47Å; V586-G588 VanDerWaalsContact O-N 3.08Å; G588-S624 PolarHBondContact O-OG 3.25Å; G588-T625 WeakPolarHBondContact CA-OG1 3.11Å; G588-T625 PolarHBondContact O-N 3.06Å
589A63.8Low67Low30 Ų3092.2 Ų92.225%0.24847%0.471CS..  trans-114.12.3173.500000115V586 T592V586-A589 PolarHBondContact O-N 2.95Å; A589-T592 PolarHBondContact O-OG1 3.14Å
590L79.3Confident68.8Low73 Ų7392.7 Ų92.738%0.38247%0.473SS..THydrogen-bonded Turntrans-70.4129.9-176.9-172.170.7000111.5T592 T613L590-T592 PolarHBondContact O-N 2.72Å; L590-T613 HydrophobicContact CD1-CG2 4.27Å
591K83.2Confident70.9Confident13 Ų1388.2 Ų88.26%0.05744%0.441CS..THydrogen-bonded Turntrans5533.1175.5-63.2179.4175.9-139.80114.3R593 E609 T613 A615 D620 R622K591-R593 VanDerWaalsContact C-N 3.33Å; K591-E609 WeakPolarHBondContact CE-O 3.28Å; K591-E609 PolarHBondContact NZ-O 3.39Å; K591-T613 WeakPolarHBondContact CA-O 3.43Å; K591-T613 PolarHBondContact N-O 3.23Å; K591-A615 HydrophobicContact CB-CB 4.24Å; K591-D620 WeakPolarHBondContact CB-O 3.29Å; K591-D620 WeakPolarHBondContact CD-OD1 3.29Å; K591-D620 WeakPolarHBondContact CD-OD2 3.38Å; K591-D620 WeakPolarHBondContact CE-OD1 3.47Å; K591-D620 WeakPolarHBondContact CE-OD2 3.47Å; K591-D620 IonicContact NZ-OD1 2.63Å; K591-D620 PolarHBondContact NZ-OD1 2.86Å; K591-D620 IonicContact NZ-OD2 2.71Å; K591-D620 PolarHBondContact NZ-OD2 3.43Å; K591-R622 HydrophobicContact CB-CG 4.23Å; K591-R622 PolarHBondContact O-N 2.9Å
592T82.7Confident73Confident47 Ų4781.7 Ų81.729%0.28843%0.43SS..  trans-84.3-5.817954.80000114.2A589 L590 R622A589-T592 PolarHBondContact O-OG1 3.14Å; L590-T592 PolarHBondContact O-N 2.72Å; T592-R622 WeakPolarHBondContact CA-O 3.46Å
593R83.8Confident74.9Confident169 Ų16975.7 Ų75.764%0.63841%0.412SS*.SBendtrans-142.7151.7178.4-64.5-176.2179.2-170.9-2.4109.4K591 F614 A615K591-R593 VanDerWaalsContact C-N 3.33Å; R593-F614 HydrophobicContact CB-CD1 4.28Å; R593-A615 PolarHBondContact O-N 3.47Å
594L88.1Confident77.2Confident94 Ų9465.5 Ų65.549%0.49238%0.38SS..BIsolated β-bridgetrans-64.5148.8175.4-66.9173.1000111.7Q560 W596 A615 G617 L621Q560-L594 PolarHBondContact NE2-O 2.84Å; Q560-L594 VanDerWaalsContact NE2-O 3.14Å; L594-W596 PolarHBondContact O-N 3.12Å; L594-A615 CarbonylContact C-O 3.59Å; L594-A615 HydrophobicContact CD2-CB 4.33Å; L594-G617 WeakPolarHBondContact CD2-O 3.36Å; L594-L621 HydrophobicContact CD2-CD1 4.42Å
595C89Confident79.2Confident2 Ų260.8 Ų60.81%0.01435%0.35CS..  trans-77.2111.8175.9-176.50000110.4Q560 F597 H598 A599 C605 F614 A615 H616Q560-C595 VanDerWaalsContact NE2-CA 3.34Å; C595-F597 VanDerWaalsContact C-N 3.29Å; C595-F597 PolarHBondContact O-N 3.3Å; C595-H598 HydrophobicContact CB-CB 3.81Å; C595-H598 PolarHBondContact O-N 2.86Å; C595-A599 PolarHBondContact O-N 3.48Å; C595-A599 VanDerWaalsContact O-N 3.17Å; C595-C605 VanDerWaalsContact SG-SG 3.62Å; C595-F614 HydrophobicContact CB-CB 3.78Å; C595-A615 WeakPolarHBondContact CB-O 3.14Å; C595-A615 PolarHBondContact N-O 3.06Å; C595-H616 VanDerWaalsContact CB-CD2 3.41Å; C595-H616 WeakPolarHBondContact CB-CD2 3.36Å
596W91.8Very high80.8Confident23 Ų2358.8 Ų58.89%0.08733%0.331CS..Hα-helixtrans-58.9-41.8178.6-173.895.7000111.7V502 L503 A506 Q560 V561 L594 H598 A599 H600V502-W596 HydrophobicContact CG1-CZ2 4.27Å; L503-W596 HydrophobicContact CD1-CZ2 4.23Å; A506-W596 HydrophobicContact CB-CH2 3.37Å; A506-W596 HydrophobicContact CB-CZ2 3.7Å; A506-W596 HydrophobicContact CB-CZ3 4.35Å; Q560-W596 HydrophobicContact CG-CB 4.24Å; V561-W596 HydrophobicContact CB-CD2 4.32Å; V561-W596 HydrophobicContact CB-CE3 4.36Å; V561-W596 HydrophobicContact CG1-CD2 3.99Å; V561-W596 HydrophobicContact CG1-CE3 3.78Å; V561-W596 HydrophobicContact CG1-CH2 4.06Å; V561-W596 HydrophobicContact CG1-CZ2 4.19Å; V561-W596 HydrophobicContact CG1-CZ3 3.83Å; V561-W596 HydrophobicContact CG2-CB 3.77Å; V561-W596 HydrophobicContact CG2-CD2 3.36Å; V561-W596 HydrophobicContact CG2-CE3 3.77Å; V561-W596 HydrophobicContact CG2-CG 3.32Å; L594-W596 PolarHBondContact O-N 3.12Å; W596-H598 VanDerWaalsContact C-N 3.34Å; W596-H598 PolarHBondContact O-N 3.24Å; W596-A599 PolarHBondContact O-N 3.17Å; W596-H600 AromaticContact CD1-CD2 3.51Å; W596-H600 HydrophobicContact CD2-CB 4.03Å; W596-H600 AromaticContact CE2-CD2 3.83Å; W596-H600 AromaticContact CE2-CG 3.98Å; W596-H600 HydrophobicContact CE3-CB 4.28Å; W596-H600 AromaticContact CG-CD2 3.87Å; W596-H600 HydrophobicContact CH2-CB 3.84Å; W596-H600 HydrophobicContact CZ2-CB 3.61Å; W596-H600 HydrophobicContact CZ3-CB 4.18Å; W596-H600 AromaticContact NE1-CD2 3.47Å; W596-H600 PolarHBondContact NE1-CD2 3.28Å; W596-H600 AromaticContact NE1-CG 3.98Å; W596-H600 WeakPolarHBondContact O-CB 3.49Å; W596-H600 PolarHBondContact O-CD2 2.9Å; W596-H600 PolarHBondContact O-N 3.43Å
597F90.3Very high82.4Confident3 Ų356.6 Ų56.61%0.01332%0.316CS..Hα-helixtrans-65.9-35.8179.2-61-73.9000113.1W521 Q560 I571 R572 W574 C595 A599 H601 G604 C605W521-F597 AromaticContact CH2-CD1 3.79Å; W521-F597 HydrophobicContact CH2-CD1 3.79Å; W521-F597 AromaticContact CH2-CE1 3.68Å; W521-F597 HydrophobicContact CH2-CE1 3.68Å; W521-F597 HydrophobicContact CH2-CZ 4.47Å; W521-F597 AromaticContact CZ2-CD1 3.64Å; W521-F597 HydrophobicContact CZ2-CD1 3.64Å; W521-F597 HydrophobicContact CZ2-CE1 4.04Å; W521-F597 HydrophobicContact CZ2-CG 4.31Å; Q560-F597 HydrophobicContact CG-CE2 4.43Å; Q560-F597 WeakPolarHBondContact O-CE2 3.41Å; Q560-F597 WeakPolarHBondContact O-CZ 3.33Å; I571-F597 HydrophobicContact CG2-CE1 3.74Å; I571-F597 HydrophobicContact CG2-CZ 4.37Å; R572-F597 VanDerWaalsContact O-CZ 3.26Å; R572-F597 WeakPolarHBondContact O-CZ 3.42Å; W574-F597 AromaticContact CD1-CE2 3.5Å; W574-F597 AromaticContact NE1-CE2 3.49Å; C595-F597 VanDerWaalsContact C-N 3.29Å; C595-F597 PolarHBondContact O-N 3.3Å; F597-A599 VanDerWaalsContact C-N 3.31Å; F597-H601 HydrophobicContact CB-CB 4.11Å; F597-H601 HydrophobicContact CD1-CB 4.15Å; F597-H601 WeakPolarHBondContact O-CB 3.3Å; F597-H601 PolarHBondContact O-N 3.5Å; F597-G604 CarbonylContact O-C 3.25Å; F597-G604 WeakPolarHBondContact O-CA 3.39Å; F597-C605 HydrophobicContact CB-CB 4.15Å
598H87.9Confident84.2Confident98 Ų9856.4 Ų56.445%0.45430%0.304SS..Hα-helixtrans-66-37.6175.9-178.274000111.4C595 W596 C605C595-H598 HydrophobicContact CB-CB 3.81Å; C595-H598 PolarHBondContact O-N 2.86Å; W596-H598 VanDerWaalsContact C-N 3.34Å; W596-H598 PolarHBondContact O-N 3.24Å; H598-C605 HydrophobicContact CB-CB 4.36Å
599A86.4Confident85.3Confident62 Ų6260.4 Ų60.451%0.51232%0.317SS..Hα-helixtrans-82.2-31.6-177.600000114.4C595 W596 F597C595-A599 PolarHBondContact O-N 3.48Å; C595-A599 VanDerWaalsContact O-N 3.17Å; W596-A599 PolarHBondContact O-N 3.17Å; F597-A599 VanDerWaalsContact C-N 3.31Å
600H87.3Confident86.2Confident98 Ų9866 Ų6645%0.45434%0.338SS..Hα-helixtrans-130.3-14.7-165.5-57.9-68.4000115.3L503 W596L503-H600 HydrophobicContact CD1-CB 4.3Å; W596-H600 AromaticContact CD1-CD2 3.51Å; W596-H600 HydrophobicContact CD2-CB 4.03Å; W596-H600 AromaticContact CE2-CD2 3.83Å; W596-H600 AromaticContact CE2-CG 3.98Å; W596-H600 HydrophobicContact CE3-CB 4.28Å; W596-H600 AromaticContact CG-CD2 3.87Å; W596-H600 HydrophobicContact CH2-CB 3.84Å; W596-H600 HydrophobicContact CZ2-CB 3.61Å; W596-H600 HydrophobicContact CZ3-CB 4.18Å; W596-H600 AromaticContact NE1-CD2 3.47Å; W596-H600 PolarHBondContact NE1-CD2 3.28Å; W596-H600 AromaticContact NE1-CG 3.98Å; W596-H600 WeakPolarHBondContact O-CB 3.49Å; W596-H600 PolarHBondContact O-CD2 2.9Å; W596-H600 PolarHBondContact O-N 3.43Å
601H89.5Confident86.3Confident9 Ų967.7 Ų67.74%0.04235%0.348CS..  trans-82.9133.4179-167-92.4000110.6L510 W521 N522 F597 Q603 G604L510-H601 VanDerWaalsContact CD2-NE2 3.3Å; L510-H601 WeakPolarHBondContact CD2-NE2 3.3Å; W521-H601 AromaticContact CD2-CE1 3.92Å; W521-H601 AromaticContact CE2-CE1 3.27Å; W521-H601 AromaticContact CE2-ND1 3.53Å; W521-H601 AromaticContact CE2-NE2 3.69Å; W521-H601 AromaticContact CH2-CD2 3.95Å; W521-H601 AromaticContact CH2-NE2 3.72Å; W521-H601 AromaticContact CZ2-CD2 3.49Å; W521-H601 VanDerWaalsContact CZ2-CD2 3.49Å; W521-H601 WeakPolarHBondContact CZ2-CD2 3.33Å; W521-H601 AromaticContact CZ2-CE1 3.42Å; W521-H601 VanDerWaalsContact CZ2-CE1 3.42Å; W521-H601 WeakPolarHBondContact CZ2-CE1 3.2Å; W521-H601 AromaticContact CZ2-CG 3.63Å; W521-H601 AromaticContact CZ2-ND1 3.59Å; W521-H601 AromaticContact CZ2-NE2 3.36Å; W521-H601 WeakPolarHBondContact CZ2-NE2 3.15Å; W521-H601 AromaticContact NE1-CE1 3.41Å; W521-H601 PolarHBondContact NE1-CE1 2.83Å; W521-H601 AromaticContact NE1-ND1 3.34Å; W521-H601 PolarHBondContact NE1-ND1 3.35Å; N522-H601 PolarHBondContact O-NE2 3.12Å; N522-H601 VanDerWaalsContact O-NE2 3.17Å; F597-H601 HydrophobicContact CB-CB 4.11Å; F597-H601 HydrophobicContact CD1-CB 4.15Å; F597-H601 WeakPolarHBondContact O-CB 3.3Å; F597-H601 PolarHBondContact O-N 3.5Å; H601-Q603 PolarHBondContact ND1-N 3.44Å; H601-Q603 PolarHBondContact O-N 3.29Å; H601-G604 PolarHBondContact ND1-O 3.39Å; H601-G604 PolarHBondContact O-N 3.15Å
602P86.8Confident86.4Confident106 Ų10667.3 Ų67.369%0.68835%0.347SS*.THydrogen-bonded Turntrans-57.4-27.8-177-2734.3000115L510L510-P602 HydrophobicContact CD1-CG 4.18Å
603Q87.2Confident86.5Confident104 Ų10468 Ų6849%0.48635%0.35SS..THydrogen-bonded Turntrans-105.212.6178.2-63.5170.6-41.100113.1N522 H601N522-Q603 VanDerWaalsContact CB-OE1 3.22Å; H601-Q603 PolarHBondContact ND1-N 3.44Å; H601-Q603 PolarHBondContact O-N 3.29Å
604G87.5Confident86.6Confident20 Ų2061.1 Ų61.121%0.20633%0.325CS..  trans67.6-167.1-176.600000114W521 F597 H601W521-G604 PolarHBondContact NE1-O 3.19Å; F597-G604 CarbonylContact O-C 3.25Å; F597-G604 WeakPolarHBondContact O-CA 3.39Å; H601-G604 PolarHBondContact ND1-O 3.39Å; H601-G604 PolarHBondContact O-N 3.15Å
605C87.9Confident86.6Confident25 Ų2556.6 Ų56.617%0.16930%0.302CS..  trans-70.9134.6180-171.30000111.6C595 F597 H598 L607 H616C595-C605 VanDerWaalsContact SG-SG 3.62Å; F597-C605 HydrophobicContact CB-CB 4.15Å; H598-C605 HydrophobicContact CB-CB 4.36Å; C605-L607 PolarHBondContact O-N 3.48Å; C605-H616 VanDerWaalsContact CB-CE1 3.41Å; C605-H616 WeakPolarHBondContact CB-CE1 3.42Å; C605-H616 WeakPolarHBondContact CB-NE2 3.46Å; C605-H616 PolarHBondContact SG-NE2 3.21Å; C605-H616 VanDerWaalsContact SG-NE2 3.37Å
606P86.6Confident86.6Confident23 Ų2358 Ų5815%0.14931%0.308CS..SBendtrans-72.1-8.1177.628.1-33.3000113.7W521 R575W521-P606 HydrophobicContact CD2-CB 3.76Å; W521-P606 HydrophobicContact CD2-CG 4.17Å; W521-P606 HydrophobicContact CE3-CB 4.28Å; W521-P606 HydrophobicContact CE3-CG 4.47Å; W521-P606 HydrophobicContact CG-CB 3.93Å; W521-P606 HydrophobicContact CH2-CG 4.14Å; W521-P606 HydrophobicContact CZ2-CB 4.26Å; W521-P606 HydrophobicContact CZ2-CG 3.79Å; W521-P606 HydrophobicContact CZ3-CG 4.46Å; R575-P606 HydrophobicContact CG-CB 4.14Å
607L86Confident86.4Confident41 Ų4157.7 Ų57.722%0.21531%0.312CS..SBendtrans-106.8148177.9-60.5179.1000110.7W574 R575 C605 C612 H616W574-L607 HydrophobicContact CB-CD1 3.82Å; W574-L607 HydrophobicContact CB-CD2 4.45Å; W574-L607 HydrophobicContact CB-CG 4.15Å; R575-L607 HydrophobicContact CG-CD2 4.13Å; C605-L607 PolarHBondContact O-N 3.48Å; L607-C612 HydrophobicContact CB-CB 4.26Å; L607-H616 PolarHBondContact O-CE1 3.17Å
608Q84Confident86Confident124 Ų12462.5 Ų62.558%0.57934%0.344SS*.  trans-65149.2165.4-67.7-170.3-19.400110.6Q610 N611 C612Q608-Q610 HydrophobicContact CB-CG 4.17Å; Q608-Q610 PolarHBondContact O-N 2.63Å; Q608-Q610 VanDerWaalsContact O-N 3.11Å; Q608-N611 CarbonylContact O-C 3.38Å; Q608-N611 WeakPolarHBondContact O-CA 3.2Å; Q608-N611 PolarHBondContact O-N 3Å; Q608-C612 PolarHBondContact O-N 2.71Å
609E83Confident85.7Confident105 Ų10565.9 Ų65.949%0.49137%0.365SS..THydrogen-bonded Turntrans-52-36.7-176.6-179.2-178.5171.900113.9K591 N611 H616K591-E609 WeakPolarHBondContact CE-O 3.28Å; K591-E609 PolarHBondContact NZ-O 3.39Å; E609-N611 VanDerWaalsContact C-N 3.31Å; E609-N611 PolarHBondContact O-N 3.2Å; E609-H616 HydrophobicContact CG-CB 4.16Å
610Q81.3Confident85.5Confident148 Ų14863.7 Ų63.769%0.69235%0.345SS*.THydrogen-bonded Turntrans-69.5-26.1177.360-1604.100114Q608Q608-Q610 HydrophobicContact CB-CG 4.17Å; Q608-Q610 PolarHBondContact O-N 2.63Å; Q608-Q610 VanDerWaalsContact O-N 3.11Å
611N82.9Confident85.4Confident108 Ų10862.7 Ų62.758%0.57834%0.343SS*.THydrogen-bonded Turntrans-100.7-9.6-178-64.8-23.1000112.5Q608 E609Q608-N611 CarbonylContact O-C 3.38Å; Q608-N611 WeakPolarHBondContact O-CA 3.2Å; Q608-N611 PolarHBondContact O-N 3Å; E609-N611 VanDerWaalsContact C-N 3.31Å; E609-N611 PolarHBondContact O-N 3.2Å
612C83.6Confident85.1Confident5 Ų568.7 Ų68.73%0.03437%0.365CS..  trans-82.2133.2176.8-165.80000111.1L607 Q608 F614 H616L607-C612 HydrophobicContact CB-CB 4.26Å; Q608-C612 PolarHBondContact O-N 2.71Å; C612-F614 PolarHBondContact O-N 3.47Å; C612-F614 PolarHBondContact SG-O 3.46Å; C612-F614 VanDerWaalsContact SG-O 3.41Å; C612-H616 WeakPolarHBondContact CB-NE2 3.26Å; C612-H616 PolarHBondContact SG-NE2 2.94Å
613T85.3Confident84.5Confident60 Ų6069.2 Ų69.237%0.36837%0.368SS..SBendtrans-80.5-6.9176.854.20000113.2L590 K591L590-T613 HydrophobicContact CD1-CG2 4.27Å; K591-T613 WeakPolarHBondContact CA-O 3.43Å; K591-T613 PolarHBondContact N-O 3.23Å
614F86.4Confident83.7Confident25 Ų2567.3 Ų67.311%0.1137%0.366CS..SBendtrans-114.5151.1179.3-57.8-86.7000110.4Q560 W574 R593 C595 C612Q560-F614 HydrophobicContact CB-CE1 4.39Å; Q560-F614 HydrophobicContact CB-CE2 4.36Å; Q560-F614 HydrophobicContact CB-CZ 3.96Å; Q560-F614 HydrophobicContact CG-CD1 4.48Å; Q560-F614 HydrophobicContact CG-CD2 4.15Å; Q560-F614 HydrophobicContact CG-CE1 4.14Å; Q560-F614 HydrophobicContact CG-CE2 3.78Å; Q560-F614 HydrophobicContact CG-CG 4.49Å; Q560-F614 HydrophobicContact CG-CZ 3.78Å; W574-F614 HydrophobicContact CZ2-CE2 4.36Å; R593-F614 HydrophobicContact CB-CD1 4.28Å; C595-F614 HydrophobicContact CB-CB 3.78Å; C612-F614 PolarHBondContact O-N 3.47Å; C612-F614 PolarHBondContact SG-O 3.46Å; C612-F614 VanDerWaalsContact SG-O 3.41Å
615A87.2Confident82.6Confident0 Ų071.5 Ų71.50%039%0.388CS..BIsolated β-bridgetrans-75.1129.6-173.400000112.4K591 R593 L594 C595 G617 D620 L621K591-A615 HydrophobicContact CB-CB 4.24Å; R593-A615 PolarHBondContact O-N 3.47Å; L594-A615 CarbonylContact C-O 3.59Å; L594-A615 HydrophobicContact CD2-CB 4.33Å; C595-A615 WeakPolarHBondContact CB-O 3.14Å; C595-A615 PolarHBondContact N-O 3.06Å; A615-G617 PolarHBondContact O-N 3.21Å; A615-D620 VanDerWaalsContact CA-OD2 3.29Å; A615-D620 WeakPolarHBondContact CA-OD2 3.41Å; A615-D620 HydrophobicContact CB-CB 4.04Å; A615-L621 HydrophobicContact CB-CB 4.11Å; A615-L621 HydrophobicContact CB-CD1 3.85Å
616H89.9Confident81Confident30 Ų3076.9 Ų76.914%0.13941%0.405CS..SBendtrans-88.446.3175.2-71.7-166.1000111.9C595 C605 L607 E609 C612 D620C595-H616 VanDerWaalsContact CB-CD2 3.41Å; C595-H616 WeakPolarHBondContact CB-CD2 3.36Å; C605-H616 VanDerWaalsContact CB-CE1 3.41Å; C605-H616 WeakPolarHBondContact CB-CE1 3.42Å; C605-H616 WeakPolarHBondContact CB-NE2 3.46Å; C605-H616 PolarHBondContact SG-NE2 3.21Å; C605-H616 VanDerWaalsContact SG-NE2 3.37Å; L607-H616 PolarHBondContact O-CE1 3.17Å; E609-H616 HydrophobicContact CG-CB 4.16Å; C612-H616 WeakPolarHBondContact CB-NE2 3.26Å; C612-H616 PolarHBondContact SG-NE2 2.94Å; H616-D620 PolarHBondContact N-OD2 3.42Å
617G86.4Confident79.1Confident17 Ų1781.7 Ų81.718%0.17544%0.436CS..SBendtrans136.8173-179.700000112.8L594 A615 D619 D620 L621L594-G617 WeakPolarHBondContact CD2-O 3.36Å; A615-G617 PolarHBondContact O-N 3.21Å; G617-D619 VanDerWaalsContact C-N 3.3Å; G617-D619 PolarHBondContact O-N 3.48Å; G617-D620 PolarHBondContact O-N 3.07Å; G617-L621 PolarHBondContact O-N 2.85Å
618P82.9Confident77Confident104 Ų10486.9 Ų86.968%0.67546%0.463SS*.SBendtrans-61.6-36.1177.8-22.934.7000113.4D620 L621P618-D620 VanDerWaalsContact C-N 3.27Å; P618-D620 PolarHBondContact O-N 3.36Å; P618-L621 VanDerWaalsContact O-CB 3.26Å; P618-L621 WeakPolarHBondContact O-CB 3.45Å; P618-L621 PolarHBondContact O-N 3.37Å
619D82.2Confident75.1Confident170 Ų17089.7 Ų89.791%0.90947%0.473SS*.THydrogen-bonded Turntrans-71.6-23.8-177.4-58.7-37.1000112.8G617G617-D619 VanDerWaalsContact C-N 3.3Å; G617-D619 PolarHBondContact O-N 3.48Å
620D82.6Confident72.7Confident15 Ų1594.5 Ų94.58%0.0849%0.492CS..THydrogen-bonded Turntrans-90.3-5.8177.7-165.133.2000112.3K591 A615 H616 G617 P618K591-D620 WeakPolarHBondContact CB-O 3.29Å; K591-D620 WeakPolarHBondContact CD-OD1 3.29Å; K591-D620 WeakPolarHBondContact CD-OD2 3.38Å; K591-D620 WeakPolarHBondContact CE-OD1 3.47Å; K591-D620 WeakPolarHBondContact CE-OD2 3.47Å; K591-D620 IonicContact NZ-OD1 2.63Å; K591-D620 PolarHBondContact NZ-OD1 2.86Å; K591-D620 IonicContact NZ-OD2 2.71Å; K591-D620 PolarHBondContact NZ-OD2 3.43Å; A615-D620 VanDerWaalsContact CA-OD2 3.29Å; A615-D620 WeakPolarHBondContact CA-OD2 3.41Å; A615-D620 HydrophobicContact CB-CB 4.04Å; H616-D620 PolarHBondContact N-OD2 3.42Å; G617-D620 PolarHBondContact O-N 3.07Å; P618-D620 VanDerWaalsContact C-N 3.27Å; P618-D620 PolarHBondContact O-N 3.36Å
621L84.8Confident70.4Confident78 Ų7894.9 Ų94.941%0.40850%0.498SS..  trans-79125.6-176.7-166.373.9000111.3L594 A615 G617 P618L594-L621 HydrophobicContact CD2-CD1 4.42Å; A615-L621 HydrophobicContact CB-CB 4.11Å; A615-L621 HydrophobicContact CB-CD1 3.85Å; G617-L621 PolarHBondContact O-N 2.85Å; P618-L621 VanDerWaalsContact O-CB 3.26Å; P618-L621 WeakPolarHBondContact O-CB 3.45Å; P618-L621 PolarHBondContact O-N 3.37Å
622R82.7Confident68.1Low135 Ų13598.5 Ų98.551%0.50951%0.509SS..  trans-110.9139.1-178.2-58.7-176.9-172.7-168.90.3111.3K591 T592K591-R622 HydrophobicContact CB-CG 4.23Å; K591-R622 PolarHBondContact O-N 2.9Å; T592-R622 WeakPolarHBondContact CA-O 3.46Å
623P74.1Confident65.5Low117 Ų117108 Ų10876%0.7655%0.55SS**  trans-62.9140.217226.3-32.4000110T625P623-T625 PolarHBondContact O-N 3.41Å
624S70.6Confident63Low63 Ų63116.4 Ų116.444%0.44159%0.59SS.*  trans-68.4124176.7-172.90000110G588 R626G588-S624 PolarHBondContact O-OG 3.25Å; S624-R626 PolarHBondContact O-N 3.34Å; S624-R626 PolarHBondContact OG-N 3.4Å
625T63.4Low61.9Low108 Ų108121 Ų12166%0.66361%0.614SS**  trans-88.311.8174.257.80000112.6G588 P623G588-T625 WeakPolarHBondContact CA-OG1 3.11Å; G588-T625 PolarHBondContact O-N 3.06Å; P623-T625 PolarHBondContact O-N 3.41Å
626R55.1Low60.5Low139 Ų139127.4 Ų127.453%0.52565%0.647SS.*SBendtrans-63.7141.7169.2-72.4-173.9177.1-164.61.2109S624 L628S624-R626 PolarHBondContact O-N 3.34Å; S624-R626 PolarHBondContact OG-N 3.4Å; R626-L628 PolarHBondContact O-N 3.36Å
627P46.8Very low58.9Low124 Ų124132.8 Ų132.881%0.80568%0.675SS**PPolyproline II helixtrans-51120.1168.7-20.629.7000108.6K629P627-K629 PolarHBondContact O-N 3.19Å; P627-K629 VanDerWaalsContact O-N 3.07Å
628L41.4Very low57.3Low150 Ų150139.6 Ų139.679%0.78570%0.704SS**PPolyproline II helixtrans-53.2120176.7-76.2159.6000107.5R626 K630R626-L628 PolarHBondContact O-N 3.36Å; L628-K630 VanDerWaalsContact C-N 3.34Å; L628-K630 PolarHBondContact O-N 3.4Å
629K44.3Very low55.7Low183 Ų183141.8 Ų141.880%0.79671%0.706SS**  trans-53.4109.3156.7-82.3-176175.8-177.30104.6P627 L631P627-K629 PolarHBondContact O-N 3.19Å; P627-K629 VanDerWaalsContact O-N 3.07Å; K629-L631 PolarHBondContact O-N 2.68Å
630K33.1Very low53.9Low205 Ų205139.9 Ų139.989%0.89169%0.692SS**  trans-45.6105.2-177.7-79.8-177.7176.3178.60108.4L628 K632L628-K630 VanDerWaalsContact C-N 3.34Å; L628-K630 PolarHBondContact O-N 3.4Å; K630-K632 PolarHBondContact O-N 3.27Å
631L33.7Very low51.8Low156 Ų156148.9 Ų148.982%0.81774%0.736SS**PPolyproline II helixtrans-62.8127.6166.3-89.3150.3000105.7K629 K633K629-L631 PolarHBondContact O-N 2.68Å; L631-K633 PolarHBondContact O-N 3.45Å
632K34.7Very low49.3Very low185 Ų185154.3 Ų154.380%0.80476%0.761SS**PPolyproline II helixtrans-47124171.3-70.2178171.3-173.60108.5K630K630-K632 PolarHBondContact O-N 3.27Å
633K28.1Very low46.5Very low205 Ų205155.9 Ų155.989%0.89178%0.782SS**PPolyproline II helixtrans-70.3130.7147-82.3-173174-175.80105.9L631L631-K633 PolarHBondContact O-N 3.45Å
634I33.2Very low44Very low236 Ų236159.5 Ų159.5100%1.2178%0.784SS**  trans-50.70-179.8-66.7167.8000110.2

Retrieved 634 of 634 residues in 213.6 ms (Link to these results)

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