A0A077YW73_TRITR Loading...

PRELI and CRAL TRIO domain containing protein

AlphaFold DB , UniProt , Accession A0A077YW73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 683 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
1M54.1Low74Confident140 Ų14034.9 Ų34.969%0.6919%0.186SC*.  0100.30178.2-171.8-163.600103Q3 E136 D267M1-Q3 PolarHBondContact O-N 3.29Å; M1-E136 PolarHBondContact N-OE2 3.32Å; M1-D267 WeakPolarHBondContact CE-OD2 3.3Å
2V61.5Low75Confident71 Ų7132.3 Ų32.343%0.4317%0.172SC..  trans-51.8116.6-163.6-178.60000110.6T4 C122 D124V2-T4 HydrophobicContact CG1-CG2 4.49Å; V2-C122 WeakPolarHBondContact CG1-SG 3.28Å; V2-D124 HydrophobicContact CG1-CB 4.22Å; V2-D124 HydrophobicContact CG2-CB 3.97Å
3Q67.4Low76.1Confident21 Ų2138.7 Ų38.710%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-85.5132.2178.5-72.8-70.4-44.500109.1M1 C122 L123 E136 V140M1-Q3 PolarHBondContact O-N 3.29Å; Q3-C122 WeakPolarHBondContact O-CA 3.05Å; Q3-L123 PolarHBondContact N-O 3.46Å; Q3-L123 VanDerWaalsContact N-O 3.17Å; Q3-L123 PolarHBondContact O-N 3.07Å; Q3-E136 HydrophobicContact CB-CB 4Å; Q3-E136 HydrophobicContact CG-CB 3.49Å; Q3-E136 VanDerWaalsContact CG-CB 3.49Å; Q3-E136 HydrophobicContact CG-CG 4.47Å; Q3-V140 HydrophobicContact CB-CG2 3.65Å
4T70.4Confident77.1Confident54 Ų5438.7 Ų38.733%0.33119%0.194SC..EExtended strand (participates in β ladder)trans-116.4149.4176.9710000110.4V2 A121 C122V2-T4 HydrophobicContact CG1-CG2 4.49Å; T4-A121 CarbonylContact C-O 3.32Å; T4-A121 WeakPolarHBondContact CA-O 3.44Å; T4-C122 HydrophobicContact CG2-CB 4.28Å
5Y75.5Confident77.8Confident3 Ų337.7 Ų37.71%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-123.8134171.6173.2-89.3000106.9Q119 R120 A121 Y143 A144 V147 A228Y5-Q119 HydrophobicContact CE1-CB 4.26Å; Y5-R120 CarbonylContact O-C 3.38Å; Y5-R120 VanDerWaalsContact O-CA 3.25Å; Y5-R120 WeakPolarHBondContact O-CA 3.15Å; Y5-A121 PolarHBondContact N-O 3.4Å; Y5-A121 PolarHBondContact O-N 3.02Å; Y5-Y143 AromaticContact CD1-CD1 3.97Å; Y5-Y143 HydrophobicContact CD1-CD1 3.97Å; Y5-Y143 AromaticContact CD1-CE1 3.44Å; Y5-Y143 HydrophobicContact CD1-CE1 3.44Å; Y5-Y143 VanDerWaalsContact CD1-CE1 3.44Å; Y5-Y143 HydrophobicContact CD2-CD1 4.44Å; Y5-Y143 HydrophobicContact CE1-CD1 4.42Å; Y5-Y143 AromaticContact CE1-CE1 3.8Å; Y5-Y143 HydrophobicContact CE1-CE1 3.8Å; Y5-Y143 AromaticContact CG-CD1 3.98Å; Y5-Y143 HydrophobicContact CG-CD1 3.98Å; Y5-Y143 AromaticContact CG-CE1 3.94Å; Y5-Y143 HydrophobicContact CG-CE1 3.94Å; Y5-A144 HydrophobicContact CD2-CB 4.45Å; Y5-A144 HydrophobicContact CE2-CB 4.08Å; Y5-V147 HydrophobicContact CE1-CG2 4.11Å; Y5-A228 WeakPolarHBondContact CE2-O 3.48Å
6Q79.7Confident78.3Confident39 Ų3939 Ų3918%0.18220%0.195CC..EExtended strand (participates in β ladder)trans-137.4112.7174.3177.8173.1-20.900108.3Q119 R120 S232 V235Q6-Q119 CarbonylContact C-O 3.54Å; Q6-Q119 WeakPolarHBondContact CA-O 3.05Å; Q6-R120 HydrophobicContact CB-CG 4.44Å; Q6-R120 HydrophobicContact CG-CG 4.11Å; Q6-S232 PolarHBondContact N-OG 3.3Å; Q6-S232 WeakPolarHBondContact O-CA 3.42Å; Q6-S232 VanDerWaalsContact O-CB 3.26Å; Q6-S232 WeakPolarHBondContact O-CB 3.26Å; Q6-S232 PolarHBondContact O-OG 2.84Å; Q6-V235 HydrophobicContact CB-CG1 4.44Å; Q6-V235 HydrophobicContact CG-CG1 3.81Å
7S77.5Confident78.7Confident1 Ų139.1 Ų39.11%0.00720%0.195CC..PPolyproline II helixtrans-67.9156.6175.277.70000111Q119S7-Q119 PolarHBondContact N-O 2.88Å; S7-Q119 PolarHBondContact OG-N 3.07Å
8P79Confident79.1Confident2 Ų237 Ų371%0.01319%0.185CC..PPolyproline II helixtrans-60.4166.8156.629-34.6000110.2R10 L214 I219 E231 V235P8-R10 PolarHBondContact O-N 3.41Å; P8-L214 CarbonylContact C-O 3.43Å; P8-L214 WeakPolarHBondContact CA-O 3.02Å; P8-L214 WeakPolarHBondContact CB-O 2.98Å; P8-I219 HydrophobicContact CB-CD1 3.73Å; P8-I219 HydrophobicContact CG-CD1 4Å; P8-E231 HydrophobicContact CG-CB 4.01Å; P8-E231 HydrophobicContact CG-CG 4.32Å; P8-E231 WeakPolarHBondContact CG-OE2 3.48Å; P8-V235 HydrophobicContact CB-CG2 4.46Å
9V81.3Confident79.5Confident14 Ų1435.1 Ų35.19%0.08518%0.175CC..BIsolated β-bridgetrans-66.1131.7169.2176.80000107.9E118 K213 L214 E215 S216V9-E118 HydrophobicContact CG2-CG 3.76Å; V9-K213 HydrophobicContact CG2-CB 3.56Å; V9-K213 HydrophobicContact CG2-CD 3.84Å; V9-K213 HydrophobicContact CG2-CG 4.35Å; V9-L214 PolarHBondContact N-O 3.31Å; V9-E215 HydrophobicContact CB-CG 4.2Å; V9-E215 HydrophobicContact CG1-CG 4.39Å; V9-E215 WeakPolarHBondContact O-CA 3.38Å; V9-S216 PolarHBondContact O-N 3.48Å
10R83.4Confident79.8Confident16 Ų1635.9 Ų35.96%0.0618%0.179CC..EExtended strand (participates in β ladder)trans-120.3152.8176.6-68.4179.5177.5-169.2-2.6109P8 S116 Y117 E231P8-R10 PolarHBondContact O-N 3.41Å; R10-S116 CarbonylContact O-C 3.53Å; R10-S116 WeakPolarHBondContact O-CA 3.14Å; R10-Y117 HydrophobicContact CB-CD1 3.93Å; R10-Y117 HydrophobicContact CB-CD2 4.09Å; R10-Y117 HydrophobicContact CB-CE1 3.34Å; R10-Y117 HydrophobicContact CB-CE2 3.61Å; R10-Y117 HydrophobicContact CB-CG 4.31Å; R10-Y117 VanDerWaalsContact CD-OH 3.25Å; R10-Y117 WeakPolarHBondContact CD-OH 3.13Å; R10-Y117 HydrophobicContact CG-CE2 4.19Å; R10-Y117 PolarHBondContact N-O 2.88Å; R10-Y117 WeakPolarHBondContact O-CD1 3.47Å; R10-Y117 PolarHBondContact O-N 3.23Å; R10-E231 IonicContact NH2-OE2 3.34Å; R10-E231 PolarHBondContact NH2-OE2 3.42Å
11V84Confident80Confident23 Ų2335.3 Ų35.314%0.13918%0.179CC..EExtended strand (participates in β ladder)trans-124.7126.7-174.1-174.60000109.3W114 T115V11-W114 HydrophobicContact CG1-CB 4.03Å; V11-W114 HydrophobicContact CG1-CD2 4.33Å; V11-W114 HydrophobicContact CG1-CE3 4.02Å; V11-W114 HydrophobicContact CG1-CG 4.38Å; V11-T115 WeakPolarHBondContact CA-O 3.13Å
12Y86.4Confident81.7Confident4 Ų428.6 Ų28.62%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-93.2128.1161.6-69.8-67.4000108.2Y14 V19 W114 T115 Y117 K151 L154 E155Y12-Y14 PolarHBondContact O-N 2.52Å; Y12-V19 HydrophobicContact CD2-CG1 4.09Å; Y12-W114 WeakPolarHBondContact O-CA 3.38Å; Y12-T115 PolarHBondContact N-O 3.19Å; Y12-T115 PolarHBondContact O-N 2.88Å; Y12-Y117 HydrophobicContact CD1-CE1 4.44Å; Y12-Y117 AromaticContact CD2-CD1 3.35Å; Y12-Y117 HydrophobicContact CD2-CD1 3.35Å; Y12-Y117 AromaticContact CD2-CE1 3.31Å; Y12-Y117 HydrophobicContact CD2-CE1 3.31Å; Y12-Y117 HydrophobicContact CD2-CG 4.45Å; Y12-Y117 HydrophobicContact CE1-CE1 4.16Å; Y12-Y117 AromaticContact CE2-CD1 3.21Å; Y12-Y117 HydrophobicContact CE2-CD1 3.21Å; Y12-Y117 AromaticContact CE2-CE1 2.92Å; Y12-Y117 HydrophobicContact CE2-CE1 2.92Å; Y12-Y117 HydrophobicContact CE2-CE2 4.42Å; Y12-Y117 HydrophobicContact CE2-CG 4.07Å; Y12-Y117 AromaticContact CE2-CZ 3.58Å; Y12-Y117 HydrophobicContact CG-CD1 4.37Å; Y12-Y117 HydrophobicContact CG-CE1 4.05Å; Y12-Y117 AromaticContact CZ-CE1 3.39Å; Y12-Y117 AromaticContact CZ-CZ 3.66Å; Y12-Y117 PolarHBondContact OH-OH 3.03Å; Y12-K151 HydrophobicContact CE1-CG 3.67Å; Y12-K151 WeakPolarHBondContact OH-CA 3.17Å; Y12-L154 HydrophobicContact CD2-CD2 4Å; Y12-L154 HydrophobicContact CE1-CB 4.38Å; Y12-L154 HydrophobicContact CE1-CD2 3.98Å; Y12-L154 HydrophobicContact CE2-CD2 3.32Å; Y12-E155 HydrophobicContact CE1-CG 4.35Å
13K89.7Confident82.7Confident115 Ų11526.2 Ų26.250%0.513%0.13SC..SBendtrans-80.947.5177.1-61.5-177.7-178.1175.10111.2W114 E217K13-W114 HydrophobicContact CD-CZ2 4.48Å; K13-W114 HydrophobicContact CG-CD2 4.39Å; K13-W114 HydrophobicContact CG-CZ2 4.46Å; K13-E217 IonicContact NZ-OE1 2.73Å; K13-E217 PolarHBondContact NZ-OE1 3.3Å
14Y89.3Confident83.4Confident39 Ų3929.4 Ų29.415%0.15315%0.145CC..SBendtrans-141.6149.2-178.9-58.6-74.6000110.5Y12 L18 E113 W114 T115 I158 M159Y12-Y14 PolarHBondContact O-N 2.52Å; Y14-L18 HydrophobicContact CD1-CD2 4.33Å; Y14-E113 CarbonylContact C-O 3.49Å; Y14-W114 CarbonylContact O-C 3.56Å; Y14-T115 PolarHBondContact O-N 2.92Å; Y14-T115 PolarHBondContact O-OG1 3.11Å; Y14-I158 HydrophobicContact CD1-CG2 3.9Å; Y14-I158 HydrophobicContact CD2-CD1 3.58Å; Y14-I158 HydrophobicContact CD2-CG2 4.36Å; Y14-I158 HydrophobicContact CE1-CG2 3.83Å; Y14-I158 HydrophobicContact CE2-CD1 4.02Å; Y14-I158 HydrophobicContact CE2-CG2 4.3Å; Y14-I158 HydrophobicContact CG-CD1 4.02Å; Y14-I158 HydrophobicContact CG-CG2 4.18Å; Y14-M159 HydrophobicContact CE1-CE 4.24Å; Y14-M159 WeakPolarHBondContact OH-CE 3.16Å
15P87.9Confident84.2Confident23 Ų2330.6 Ų30.615%0.14915%0.146CC..  trans-61.2149.2177.6-24.634.5000112.6E17 L18 V19 E113P15-E17 VanDerWaalsContact C-N 3.29Å; P15-E17 PolarHBondContact O-N 3.13Å; P15-L18 PolarHBondContact O-N 3.43Å; P15-L18 VanDerWaalsContact O-N 3.17Å; P15-V19 WeakPolarHBondContact O-CG2 3.36Å; P15-V19 PolarHBondContact O-N 3.02Å; P15-V19 VanDerWaalsContact O-N 3.08Å; P15-E113 WeakPolarHBondContact CA-O 3.2Å
16F85.5Confident84.4Confident59 Ų5931.8 Ų31.826%0.25915%0.15SC..Hα-helixtrans-55.9-42.8-174.6172.9-95.1000112.8L18 V19 M20 L105 V107 T115F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 3.15Å; F16-V19 PolarHBondContact O-N 2.96Å; F16-M20 HydrophobicContact CD1-CG 4.16Å; F16-M20 HydrophobicContact CD2-CG 4.4Å; F16-M20 HydrophobicContact CE1-CG 3.68Å; F16-M20 HydrophobicContact CE2-CG 3.96Å; F16-M20 HydrophobicContact CE2-SD 4.27Å; F16-M20 HydrophobicContact CG-CG 4.5Å; F16-M20 HydrophobicContact CZ-CG 3.56Å; F16-M20 HydrophobicContact CZ-SD 4.06Å; F16-M20 WeakPolarHBondContact O-CB 3.13Å; F16-M20 WeakPolarHBondContact O-CG 3.49Å; F16-M20 PolarHBondContact O-N 3.47Å; F16-L105 HydrophobicContact CD2-CB 4.37Å; F16-L105 HydrophobicContact CE2-CB 3.81Å; F16-V107 HydrophobicContact CB-CG2 3.79Å; F16-V107 HydrophobicContact CG-CG2 4.27Å; F16-T115 WeakPolarHBondContact CA-OG1 2.99Å; F16-T115 HydrophobicContact CD2-CG2 4.02Å; F16-T115 PolarHBondContact N-OG1 3.28Å; F16-T115 VanDerWaalsContact N-OG1 3.14Å
17E85Confident84.5Confident40 Ų4031 Ų3119%0.18715%0.146CC..Hα-helixtrans-63.7-41.5-177.5-62.871-158.600111.2P15 M20 A21 I169 P171P15-E17 VanDerWaalsContact C-N 3.29Å; P15-E17 PolarHBondContact O-N 3.13Å; E17-M20 PolarHBondContact O-N 3.04Å; E17-A21 PolarHBondContact O-N 3.35Å; E17-I169 HydrophobicContact CB-CB 3.73Å; E17-I169 HydrophobicContact CB-CG2 3.8Å; E17-I169 HydrophobicContact CG-CG2 4.44Å; E17-P171 WeakPolarHBondContact OE1-CA 3.4Å; E17-P171 WeakPolarHBondContact OE1-CB 3.02Å
18L87.2Confident84.7Confident2 Ų234.6 Ų34.61%0.0117%0.169CC..Hα-helixtrans-68.2-41.6177.6-171.365.9000111.2Y14 P15 F16 M20 A21 A22 I158 L161 I166 I169Y14-L18 HydrophobicContact CD1-CD2 4.33Å; P15-L18 PolarHBondContact O-N 3.43Å; P15-L18 VanDerWaalsContact O-N 3.17Å; F16-L18 VanDerWaalsContact C-N 3.34Å; F16-L18 PolarHBondContact O-N 3.15Å; L18-M20 VanDerWaalsContact C-N 3.31Å; L18-M20 PolarHBondContact O-N 2.96Å; L18-A21 PolarHBondContact O-N 3.47Å; L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 2.78Å; L18-I158 HydrophobicContact CD2-CG2 4.04Å; L18-I158 HydrophobicContact CG-CG2 4.45Å; L18-L161 HydrophobicContact CD1-CB 4.35Å; L18-L161 HydrophobicContact CD1-CD1 4.03Å; L18-I166 HydrophobicContact CD1-CG2 4.48Å; L18-I169 HydrophobicContact CD1-CD1 4.41Å
19V86.1Confident84.9Confident0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-62.1-40.4175.5176.50000110.8Y12 P15 F16 A22 Y23 L105 T115 L154 I158Y12-V19 HydrophobicContact CD2-CG1 4.09Å; P15-V19 WeakPolarHBondContact O-CG2 3.36Å; P15-V19 PolarHBondContact O-N 3.02Å; P15-V19 VanDerWaalsContact O-N 3.08Å; F16-V19 PolarHBondContact O-N 2.96Å; V19-A22 PolarHBondContact O-N 3.4Å; V19-Y23 VanDerWaalsContact O-CB 3.31Å; V19-Y23 WeakPolarHBondContact O-CB 3.43Å; V19-Y23 PolarHBondContact O-N 2.67Å; V19-L105 HydrophobicContact CG1-CD2 3.73Å; V19-T115 HydrophobicContact CB-CG2 4.36Å; V19-T115 HydrophobicContact CG1-CG2 4.21Å; V19-T115 HydrophobicContact CG2-CG2 4.41Å; V19-L154 HydrophobicContact CG1-CD2 3.69Å; V19-I158 HydrophobicContact CG2-CD1 4.23Å
20M85.2Confident84.8Confident52 Ų5237.7 Ų37.726%0.25619%0.188SC..Hα-helixtrans-66.7-43.1176.4-76.5-55.8-54.300112.6F16 E17 L18 A22 Y23 E24 L105F16-M20 HydrophobicContact CD1-CG 4.16Å; F16-M20 HydrophobicContact CD2-CG 4.4Å; F16-M20 HydrophobicContact CE1-CG 3.68Å; F16-M20 HydrophobicContact CE2-CG 3.96Å; F16-M20 HydrophobicContact CE2-SD 4.27Å; F16-M20 HydrophobicContact CG-CG 4.5Å; F16-M20 HydrophobicContact CZ-CG 3.56Å; F16-M20 HydrophobicContact CZ-SD 4.06Å; F16-M20 WeakPolarHBondContact O-CB 3.13Å; F16-M20 WeakPolarHBondContact O-CG 3.49Å; F16-M20 PolarHBondContact O-N 3.47Å; E17-M20 PolarHBondContact O-N 3.04Å; L18-M20 VanDerWaalsContact C-N 3.31Å; L18-M20 PolarHBondContact O-N 2.96Å; M20-A22 VanDerWaalsContact C-N 3.35Å; M20-A22 PolarHBondContact O-N 2.88Å; M20-Y23 WeakPolarHBondContact O-CB 3.5Å; M20-Y23 PolarHBondContact O-N 3.12Å; M20-E24 PolarHBondContact O-N 3.4Å; M20-L105 HydrophobicContact SD-CD1 3.69Å
21A84.9Confident84.7Confident23 Ų2342.6 Ų42.619%0.1922%0.222CC..Hα-helixtrans-61.8-42.9175.200000112E17 L18 Y23 E24 K25 L161 I169E17-A21 PolarHBondContact O-N 3.35Å; L18-A21 PolarHBondContact O-N 3.47Å; A21-Y23 VanDerWaalsContact C-N 3.27Å; A21-Y23 PolarHBondContact O-N 2.88Å; A21-E24 PolarHBondContact O-N 2.94Å; A21-K25 PolarHBondContact O-N 3.3Å; A21-L161 HydrophobicContact CB-CD1 3.82Å; A21-I169 HydrophobicContact CB-CD1 3.43Å; A21-I169 VanDerWaalsContact CB-CD1 3.43Å
22A88Confident84.4Confident0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-65-33.9175.900000112.4L18 V19 M20 L154 H157 I158 L161L18-A22 WeakPolarHBondContact O-CB 3.42Å; L18-A22 PolarHBondContact O-N 2.78Å; V19-A22 PolarHBondContact O-N 3.4Å; M20-A22 VanDerWaalsContact C-N 3.35Å; M20-A22 PolarHBondContact O-N 2.88Å; A22-L154 HydrophobicContact CB-CD1 4.04Å; A22-H157 HydrophobicContact CB-CB 3.89Å; A22-H157 WeakPolarHBondContact O-CB 3.29Å; A22-H157 PolarHBondContact O-ND1 2.83Å; A22-H157 VanDerWaalsContact O-ND1 3.08Å; A22-I158 HydrophobicContact CB-CB 4.41Å; A22-I158 HydrophobicContact CB-CD1 4.44Å; A22-I158 HydrophobicContact CB-CG1 3.42Å; A22-I158 VanDerWaalsContact CB-CG1 3.42Å; A22-L161 HydrophobicContact CB-CD1 3.88Å
23Y83.6Confident83.6Confident20 Ų2047 Ų478%0.07824%0.243CC..Hα-helixtrans-66.2-42.6175179.6-90.5000111.5V19 M20 A21 K25 R26 F27 W82 I86 F103 L154V19-Y23 VanDerWaalsContact O-CB 3.31Å; V19-Y23 WeakPolarHBondContact O-CB 3.43Å; V19-Y23 PolarHBondContact O-N 2.67Å; M20-Y23 WeakPolarHBondContact O-CB 3.5Å; M20-Y23 PolarHBondContact O-N 3.12Å; A21-Y23 VanDerWaalsContact C-N 3.27Å; A21-Y23 PolarHBondContact O-N 2.88Å; Y23-K25 VanDerWaalsContact C-N 3.3Å; Y23-K25 PolarHBondContact O-N 2.86Å; Y23-R26 WeakPolarHBondContact O-CB 3.36Å; Y23-R26 WeakPolarHBondContact O-CG 3.46Å; Y23-R26 PolarHBondContact O-N 2.66Å; Y23-F27 HydrophobicContact CD1-CE2 4.48Å; Y23-F27 AromaticContact CE1-CE2 3.84Å; Y23-F27 HydrophobicContact CE1-CE2 3.84Å; Y23-W82 WeakPolarHBondContact OH-CZ3 3.4Å; Y23-I86 HydrophobicContact CE1-CD1 3.87Å; Y23-I86 HydrophobicContact CE1-CG1 4.48Å; Y23-I86 HydrophobicContact CE2-CD1 3.82Å; Y23-I86 WeakPolarHBondContact OH-CD1 3.32Å; Y23-I86 WeakPolarHBondContact OH-CG1 3.38Å; Y23-F103 HydrophobicContact CE2-CD1 4.45Å; Y23-L154 HydrophobicContact CD2-CD1 4.44Å
24E82.8Confident82.4Confident89 Ų8945.5 Ų45.542%0.41625%0.245SC..Hα-helixtrans-63.8-31.2178.6-72.6-166.916500113.3M20 A21 R26 F27 K53M20-E24 PolarHBondContact O-N 3.4Å; A21-E24 PolarHBondContact O-N 2.94Å; E24-R26 PolarHBondContact O-N 2.73Å; E24-F27 PolarHBondContact O-N 3.35Å; E24-K53 IonicContact OE1-NZ 2.78Å
25K85.3Confident81.2Confident79 Ų7947.1 Ų47.134%0.34326%0.255SS..THydrogen-bonded Turntrans-57.4-16.5175.5-73.9-91-172.8166.90114.1A21 Y23 F27 H157 E164A21-K25 PolarHBondContact O-N 3.3Å; Y23-K25 VanDerWaalsContact C-N 3.3Å; Y23-K25 PolarHBondContact O-N 2.86Å; K25-F27 PolarHBondContact O-N 3.31Å; K25-H157 HydrophobicContact CB-CB 4.33Å; K25-E164 IonicContact NZ-OE1 3.2Å; K25-E164 PolarHBondContact NZ-OE1 3.48Å; K25-E164 IonicContact NZ-OE2 3.02Å; K25-E164 PolarHBondContact NZ-OE2 3.25Å
26R80Confident80.1Confident27 Ų2746.4 Ų46.410%0.10225%0.25CS..THydrogen-bonded Turntrans-69.3-13.9175.7-65.1174.4-179.9-162.1-5113.8Y23 E24 T29 C30 L36 G150 I153 L154Y23-R26 WeakPolarHBondContact O-CB 3.36Å; Y23-R26 WeakPolarHBondContact O-CG 3.46Å; Y23-R26 PolarHBondContact O-N 2.66Å; E24-R26 PolarHBondContact O-N 2.73Å; R26-T29 CarbonylContact O-C 3.38Å; R26-T29 VanDerWaalsContact O-C 3.27Å; R26-C30 HydrophobicContact CB-CB 4.29Å; R26-C30 WeakPolarHBondContact O-CB 3.43Å; R26-L36 WeakPolarHBondContact O-CD2 3.48Å; R26-G150 PolarHBondContact NH2-O 3.27Å; R26-I153 HydrophobicContact CG-CG2 4.42Å; R26-L154 VanDerWaalsContact NH2-CB 3.34Å
27F82.1Confident79.4Confident24 Ų2446.4 Ų46.411%0.10526%0.255CS..  trans-117146.5-174.7-55.2-73.1000110.4Y23 E24 K25 L36 S39 W82Y23-F27 HydrophobicContact CD1-CE2 4.48Å; Y23-F27 AromaticContact CE1-CE2 3.84Å; Y23-F27 HydrophobicContact CE1-CE2 3.84Å; E24-F27 PolarHBondContact O-N 3.35Å; K25-F27 PolarHBondContact O-N 3.31Å; F27-L36 HydrophobicContact CD1-CD2 3.93Å; F27-L36 HydrophobicContact CE1-CD2 3.98Å; F27-S39 VanDerWaalsContact CD1-OG 3.28Å; F27-S39 WeakPolarHBondContact CD1-OG 3.29Å; F27-W82 HydrophobicContact CE1-CZ2 4.44Å; F27-W82 HydrophobicContact CZ-CD2 4.23Å; F27-W82 HydrophobicContact CZ-CE3 4.03Å; F27-W82 HydrophobicContact CZ-CH2 4.25Å; F27-W82 HydrophobicContact CZ-CZ2 4.39Å; F27-W82 HydrophobicContact CZ-CZ3 4.08Å
28P82.6Confident78.9Confident75 Ų7545.3 Ų45.349%0.48726%0.255SS..SBendcis-76.7-23.16.830.4-34.9000114.1G38 S39P28-G38 CarbonylContact O-C 3.55Å; P28-G38 VanDerWaalsContact O-C 3.32Å; P28-G38 VanDerWaalsContact O-CA 3.31Å; P28-G38 WeakPolarHBondContact O-CA 3.47Å; P28-S39 VanDerWaalsContact CA-OG 3.28Å; P28-S39 WeakPolarHBondContact CA-OG 3.17Å; P28-S39 WeakPolarHBondContact CB-O 3.42Å; P28-S39 PolarHBondContact O-N 3.34Å; P28-S39 PolarHBondContact O-OG 3.11Å; P28-S39 VanDerWaalsContact O-OG 3.07Å
29T81.6Confident78.5Confident77 Ų7746 Ų4647%0.47226%0.26SS..  trans-133.2152.5-179.549.70000110.1R26 V37R26-T29 CarbonylContact O-C 3.38Å; R26-T29 VanDerWaalsContact O-C 3.27Å; T29-V37 WeakPolarHBondContact CG2-O 3.35Å
30C81.2Confident78.2Confident4 Ų451.5 Ų51.53%0.02729%0.285CS..  trans-137.6107.1177.6177.30000108.8R26 M32 M33R26-C30 HydrophobicContact CB-CB 4.29Å; R26-C30 WeakPolarHBondContact O-CB 3.43Å; C30-M32 PolarHBondContact O-N 3.1Å; C30-M33 HydrophobicContact CB-CB 3.98Å; C30-M33 HydrophobicContact CB-CE 4.37Å; C30-M33 CarbonylContact O-C 3.59Å; C30-M33 VanDerWaalsContact O-C 3.28Å; C30-M33 WeakPolarHBondContact O-CA 3.42Å; C30-M33 PolarHBondContact O-N 2.88Å
31P79.2Confident78Confident120 Ų12052.6 Ų52.678%0.77929%0.292SS*.THydrogen-bonded Turntrans-56.1-36.2-178.9-26.834.9000113.6M33P31-M33 PolarHBondContact O-N 3.42Å
32M77.9Confident77.5Confident78 Ų7854.2 Ų54.238%0.38430%0.299SS..THydrogen-bonded Turntrans-70.9-10176.4-58.2-178.8-128.700113.5C30 P34 I153 T156 E160C30-M32 PolarHBondContact O-N 3.1Å; M32-P34 VanDerWaalsContact C-CD 3.49Å; M32-P34 WeakPolarHBondContact O-CD 3.5Å; M32-I153 HydrophobicContact CB-CD1 4.35Å; M32-I153 HydrophobicContact CB-CG1 3.92Å; M32-T156 HydrophobicContact CE-CG2 3.45Å; M32-T156 VanDerWaalsContact CE-CG2 3.45Å; M32-T156 HydrophobicContact SD-CG2 3.83Å; M32-E160 WeakPolarHBondContact CE-OE1 3.38Å
33M70.7Confident76.6Confident40 Ų4058.5 Ų58.520%0.19732%0.322CS..  trans-122.172.3176.1-170.31646300109.6C30 P31 I35 L36 I153C30-M33 HydrophobicContact CB-CB 3.98Å; C30-M33 HydrophobicContact CB-CE 4.37Å; C30-M33 CarbonylContact O-C 3.59Å; C30-M33 VanDerWaalsContact O-C 3.28Å; C30-M33 WeakPolarHBondContact O-CA 3.42Å; C30-M33 PolarHBondContact O-N 2.88Å; P31-M33 PolarHBondContact O-N 3.42Å; M33-I35 HydrophobicContact CG-CG2 3.62Å; M33-I35 PolarHBondContact O-N 2.97Å; M33-L36 HydrophobicContact CE-CB 3.78Å; M33-L36 HydrophobicContact CE-CD2 3.52Å; M33-L36 HydrophobicContact CE-CG 4.26Å; M33-L36 HydrophobicContact CG-CB 4.26Å; M33-L36 PolarHBondContact O-N 3.39Å; M33-I153 HydrophobicContact CB-CD1 4.2Å
34P63.8Low76.2Confident85 Ų8562.6 Ų62.655%0.55234%0.342SS*.THydrogen-bonded Turntrans-61.1-20.1-171.6-21.131.7000114.3M32 L36M32-P34 VanDerWaalsContact C-CD 3.49Å; M32-P34 WeakPolarHBondContact O-CD 3.5Å; P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 PolarHBondContact O-N 2.98Å
35I63.8Low75.5Confident72 Ų7261.4 Ų61.437%0.36933%0.334SS..THydrogen-bonded Turntrans-63.5-30.9173.2-168.6161.8000111.6M33 V37 L61 R62M33-I35 HydrophobicContact CG-CG2 3.62Å; M33-I35 PolarHBondContact O-N 2.97Å; I35-V37 PolarHBondContact O-N 3.48Å; I35-L61 HydrophobicContact CG1-CB 4.44Å; I35-L61 HydrophobicContact CG1-CD2 4.49Å; I35-L61 CarbonylContact O-C 3.28Å; I35-L61 WeakPolarHBondContact O-CA 3.38Å; I35-R62 WeakPolarHBondContact CG1-O 3.37Å; I35-R62 PolarHBondContact O-N 2.98Å
36L66Low74.7Confident8 Ų863.6 Ų63.64%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-86.8100175.1178.965.4000109.8R26 F27 M33 P34 G38 C59 L61R26-L36 WeakPolarHBondContact O-CD2 3.48Å; F27-L36 HydrophobicContact CD1-CD2 3.93Å; F27-L36 HydrophobicContact CE1-CD2 3.98Å; M33-L36 HydrophobicContact CE-CB 3.78Å; M33-L36 HydrophobicContact CE-CD2 3.52Å; M33-L36 HydrophobicContact CE-CG 4.26Å; M33-L36 HydrophobicContact CG-CB 4.26Å; M33-L36 PolarHBondContact O-N 3.39Å; P34-L36 VanDerWaalsContact C-N 3.25Å; P34-L36 PolarHBondContact O-N 2.98Å; L36-G38 VanDerWaalsContact C-N 3.33Å; L36-C59 HydrophobicContact CD1-CB 3.6Å; L36-L61 HydrophobicContact CD1-CD2 4.15Å
37V71.1Confident74Confident59 Ų5962.8 Ų62.836%0.35834%0.344SS..EExtended strand (participates in β ladder)trans-74-30.1178.6-177.30000111.4T29 I35 K60 R62T29-V37 WeakPolarHBondContact CG2-O 3.35Å; I35-V37 PolarHBondContact O-N 3.48Å; V37-K60 HydrophobicContact CB-CB 4.26Å; V37-K60 HydrophobicContact CB-CD 4.39Å; V37-K60 HydrophobicContact CB-CG 4.22Å; V37-K60 WeakPolarHBondContact CB-O 3.38Å; V37-K60 HydrophobicContact CG1-CD 4.16Å; V37-K60 PolarHBondContact N-O 3.48Å; V37-R62 HydrophobicContact CG2-CB 3.67Å
38G73.9Confident73.3Confident17 Ų1768.1 Ų68.118%0.17538%0.381CS..EExtended strand (participates in β ladder)trans171164.4178.800000112.1P28 L36 C59 K60P28-G38 CarbonylContact O-C 3.55Å; P28-G38 VanDerWaalsContact O-C 3.32Å; P28-G38 VanDerWaalsContact O-CA 3.31Å; P28-G38 WeakPolarHBondContact O-CA 3.47Å; L36-G38 VanDerWaalsContact C-N 3.33Å; G38-C59 CarbonylContact O-C 3.42Å; G38-C59 WeakPolarHBondContact O-CA 3.41Å; G38-K60 PolarHBondContact O-N 3.46Å
39S79.6Confident72.6Confident18 Ų1867.3 Ų67.313%0.12637%0.373CS..EExtended strand (participates in β ladder)trans-143147.9175.167.40000111.8F27 P28 K58 C59F27-S39 VanDerWaalsContact CD1-OG 3.28Å; F27-S39 WeakPolarHBondContact CD1-OG 3.29Å; P28-S39 VanDerWaalsContact CA-OG 3.28Å; P28-S39 WeakPolarHBondContact CA-OG 3.17Å; P28-S39 WeakPolarHBondContact CB-O 3.42Å; P28-S39 PolarHBondContact O-N 3.34Å; P28-S39 PolarHBondContact O-OG 3.11Å; P28-S39 VanDerWaalsContact O-OG 3.07Å; S39-K58 CarbonylContact C-O 3.58Å; S39-K58 VanDerWaalsContact CA-O 3.23Å; S39-K58 WeakPolarHBondContact CA-O 3.37Å; S39-C59 WeakPolarHBondContact CB-SG 3.5Å
40E79.7Confident71.8Confident114 Ų11464.9 Ų64.953%0.53336%0.363SS..EExtended strand (participates in β ladder)trans-126.7146.9174.863-173.6176.900109.4R57 K58E40-R57 CarbonylContact O-C 3.56Å; E40-R57 WeakPolarHBondContact O-CA 3.49Å; E40-K58 HydrophobicContact CG-CB 3.79Å; E40-K58 PolarHBondContact N-O 3.36Å; E40-K58 PolarHBondContact O-N 2.83Å; E40-K58 WeakPolarHBondContact OE1-CD 3.13Å
41I79.7Confident70.8Confident76 Ų7667.4 Ų67.439%0.3938%0.38SS..EExtended strand (participates in β ladder)trans-82.3126175-60.5171.9000108N43 E44 T55 E56 R57I41-N43 WeakPolarHBondContact CG2-O 3.16Å; I41-E44 HydrophobicContact CG2-CB 4.09Å; I41-T55 HydrophobicContact CD1-CG2 4.02Å; I41-T55 HydrophobicContact CG1-CG2 3.97Å; I41-T55 HydrophobicContact CG2-CG2 3.97Å; I41-E56 CarbonylContact C-O 3.55Å; I41-E56 WeakPolarHBondContact CA-O 3.4Å; I41-R57 HydrophobicContact CG1-CG 4.05Å
42V75.8Confident70.1Confident57 Ų5764.6 Ų64.635%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-94-43177.7-177.90000110.9E56 K58V42-E56 PolarHBondContact N-O 3.09Å; V42-K58 HydrophobicContact CG2-CB 3.43Å; V42-K58 VanDerWaalsContact CG2-CB 3.43Å
43N68.7Low69.5Low90 Ų9064.9 Ų64.948%0.48136%0.357SS..EExtended strand (participates in β ladder)trans-142144.6176.8-65.6-51000108.6I41 E56I41-N43 WeakPolarHBondContact CG2-O 3.16Å; N43-E56 HydrophobicContact CB-CB 4.02Å; N43-E56 HydrophobicContact CB-CG 4.2Å; N43-E56 PolarHBondContact N-O 3.14Å; N43-E56 PolarHBondContact ND2-OE2 3.28Å; N43-E56 PolarHBondContact O-N 3.11Å
44E74.7Confident69.4Low106 Ų10663.9 Ų63.950%0.49535%0.353SS..EExtended strand (participates in β ladder)trans-137.6138.5170-168.8155.4-130.900108.3I41 K53 V54 T55I41-E44 HydrophobicContact CG2-CB 4.09Å; E44-K53 WeakPolarHBondContact OE1-CE 3.36Å; E44-V54 CarbonylContact C-O 3.57Å; E44-V54 WeakPolarHBondContact CA-O 3.44Å; E44-T55 PolarHBondContact OE1-OG1 3.06Å
45Y67.8Low69.5Low64 Ų6460.6 Ų60.625%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-138.1137.2176.7170.9-96.1000108.9K53 V54 W187Y45-K53 CarbonylContact O-C 3.42Å; Y45-K53 WeakPolarHBondContact O-CA 3.45Å; Y45-V54 HydrophobicContact CD1-CG2 4.41Å; Y45-V54 PolarHBondContact N-O 3.4Å; Y45-V54 PolarHBondContact O-N 2.89Å; Y45-W187 HydrophobicContact CD1-CH2 4.24Å; Y45-W187 HydrophobicContact CD1-CZ2 4.32Å; Y45-W187 HydrophobicContact CD1-CZ3 4.36Å; Y45-W187 HydrophobicContact CD2-CD2 4.42Å; Y45-W187 AromaticContact CD2-CE2 3.9Å; Y45-W187 HydrophobicContact CD2-CZ2 4.25Å; Y45-W187 AromaticContact CD2-NE1 3.7Å; Y45-W187 AromaticContact CE1-CH2 3.55Å; Y45-W187 HydrophobicContact CE1-CH2 3.55Å; Y45-W187 AromaticContact CE1-CZ2 3.6Å; Y45-W187 HydrophobicContact CE1-CZ2 3.6Å; Y45-W187 HydrophobicContact CE1-CZ3 4.1Å; Y45-W187 HydrophobicContact CE2-CD2 4.44Å; Y45-W187 AromaticContact CE2-CE2 3.52Å; Y45-W187 HydrophobicContact CE2-CH2 4.32Å; Y45-W187 AromaticContact CE2-CZ2 3.51Å; Y45-W187 HydrophobicContact CE2-CZ2 3.51Å; Y45-W187 AromaticContact CE2-NE1 3.41Å; Y45-W187 AromaticContact CZ-CE2 3.66Å; Y45-W187 AromaticContact CZ-CH2 3.61Å; Y45-W187 AromaticContact CZ-CZ2 3.14Å; Y45-W187 WeakPolarHBondContact OH-CZ2 3.43Å
46E68.5Low69.7Low124 Ų12458.5 Ų58.558%0.57932%0.32SS*.EExtended strand (participates in β ladder)trans-130.5131.7173.5-167.7166.1-168.700107.5I52E46-I52 CarbonylContact C-O 3.51Å; E46-I52 WeakPolarHBondContact CA-O 3.39Å
47S66.3Low69.9Low11 Ų1160.3 Ų60.38%0.07733%0.327CS..  trans-68.9152.9177.657.80000110.9D49 G50 S51 I52S47-D49 WeakPolarHBondContact CB-OD1 3.12Å; S47-D49 PolarHBondContact O-N 3.26Å; S47-D49 VanDerWaalsContact O-N 3.13Å; S47-D49 PolarHBondContact OG-OD1 2.91Å; S47-G50 PolarHBondContact O-N 3.27Å; S47-S51 PolarHBondContact OG-N 2.78Å; S47-S51 VanDerWaalsContact OG-N 3.12Å; S47-I52 PolarHBondContact N-O 3.27Å; S47-I52 PolarHBondContact OG-N 2.88Å; S47-I52 PolarHBondContact OG-O 3.44Å
48P67.5Low69.8Low135 Ų13560.4 Ų60.488%0.87732%0.322SS*.THydrogen-bonded Turntrans-58.9-27.9-178.2-25.334.3000114.4
49D67.3Low69.3Low59 Ų5959.7 Ų59.732%0.31632%0.315SS..THydrogen-bonded Turntrans-87.7-4.6176.264.8-14000113.2S47 S51 F172 V176S47-D49 WeakPolarHBondContact CB-OD1 3.12Å; S47-D49 PolarHBondContact O-N 3.26Å; S47-D49 VanDerWaalsContact O-N 3.13Å; S47-D49 PolarHBondContact OG-OD1 2.91Å; D49-S51 PolarHBondContact O-N 3.41Å; D49-S51 PolarHBondContact OD1-N 3.08Å; D49-S51 VanDerWaalsContact OD1-N 3.11Å; D49-S51 PolarHBondContact OD1-OG 3.17Å; D49-S51 VanDerWaalsContact OD2-CB 3.29Å; D49-S51 WeakPolarHBondContact OD2-CB 3.45Å; D49-S51 PolarHBondContact OD2-OG 3.38Å; D49-F172 WeakPolarHBondContact O-CE2 2.91Å; D49-F172 WeakPolarHBondContact O-CZ 3.08Å; D49-V176 HydrophobicContact CB-CG2 4.33Å
50G64.7Low68.5Low26 Ų2664.7 Ų64.727%0.26833%0.334SS..SBendtrans731.6-17600000115.2S47 I52S47-G50 PolarHBondContact O-N 3.27Å; G50-I52 VanDerWaalsContact C-N 3.31Å; G50-I52 PolarHBondContact O-N 3.21Å
51S60.9Low67.5Low56 Ų5660.3 Ų60.339%0.39231%0.314SS..SBendtrans-72.6-22.3-175.368.40000114S47 D49S47-S51 PolarHBondContact OG-N 2.78Å; S47-S51 VanDerWaalsContact OG-N 3.12Å; D49-S51 PolarHBondContact O-N 3.41Å; D49-S51 PolarHBondContact OD1-N 3.08Å; D49-S51 VanDerWaalsContact OD1-N 3.11Å; D49-S51 PolarHBondContact OD1-OG 3.17Å; D49-S51 VanDerWaalsContact OD2-CB 3.29Å; D49-S51 WeakPolarHBondContact OD2-CB 3.45Å; D49-S51 PolarHBondContact OD2-OG 3.38Å
52I63.2Low66.5Low61 Ų6164.2 Ų64.231%0.31332%0.324SS..  trans-130.2112.7-176.9-59172.1000109E46 S47 G50 V54E46-I52 CarbonylContact C-O 3.51Å; E46-I52 WeakPolarHBondContact CA-O 3.39Å; S47-I52 PolarHBondContact N-O 3.27Å; S47-I52 PolarHBondContact OG-N 2.88Å; S47-I52 PolarHBondContact OG-O 3.44Å; G50-I52 VanDerWaalsContact C-N 3.31Å; G50-I52 PolarHBondContact O-N 3.21Å; I52-V54 HydrophobicContact CG2-CG2 3.86Å
53K66.8Low65.5Low85 Ų8565 Ų6537%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-111.1129.4167.7-172.8179.9178.7-171.30109.8E24 E44 Y45 S84E24-K53 IonicContact OE1-NZ 2.78Å; E44-K53 WeakPolarHBondContact OE1-CE 3.36Å; Y45-K53 CarbonylContact O-C 3.42Å; Y45-K53 WeakPolarHBondContact O-CA 3.45Å; K53-S84 WeakPolarHBondContact O-CB 3.01Å; K53-S84 PolarHBondContact O-OG 2.96Å
54V67Low64.7Low18 Ų1867.5 Ų67.511%0.10934%0.342CS..EExtended strand (participates in β ladder)trans-127.5110180-176.20000109E44 Y45 I52 T83 S84 F191E44-V54 CarbonylContact C-O 3.57Å; E44-V54 WeakPolarHBondContact CA-O 3.44Å; Y45-V54 HydrophobicContact CD1-CG2 4.41Å; Y45-V54 PolarHBondContact N-O 3.4Å; Y45-V54 PolarHBondContact O-N 2.89Å; I52-V54 HydrophobicContact CG2-CG2 3.86Å; V54-T83 HydrophobicContact CG1-CG2 3.61Å; V54-S84 WeakPolarHBondContact CA-OG 3.48Å; V54-F191 HydrophobicContact CG2-CE2 3.82Å; V54-F191 HydrophobicContact CG2-CZ 4.15Å
55T67.6Low63.5Low16 Ų1662.8 Ų62.810%0.09832%0.321CS..EExtended strand (participates in β ladder)trans-110.9115.2177.7-49.60000110.2I41 E44 R57 W82 T83I41-T55 HydrophobicContact CD1-CG2 4.02Å; I41-T55 HydrophobicContact CG1-CG2 3.97Å; I41-T55 HydrophobicContact CG2-CG2 3.97Å; E44-T55 PolarHBondContact OE1-OG1 3.06Å; T55-R57 HydrophobicContact CG2-CG 4.1Å; T55-W82 CarbonylContact O-C 3.48Å; T55-T83 WeakPolarHBondContact O-CA 3.48Å
56E66Low62.6Low29 Ų2963.3 Ų63.314%0.13633%0.333CS..EExtended strand (participates in β ladder)trans-92.5114.8170.8-61.2-169.5165.200111.2I41 V42 N43 W82 T83I41-E56 CarbonylContact C-O 3.55Å; I41-E56 WeakPolarHBondContact CA-O 3.4Å; V42-E56 PolarHBondContact N-O 3.09Å; N43-E56 HydrophobicContact CB-CB 4.02Å; N43-E56 HydrophobicContact CB-CG 4.2Å; N43-E56 PolarHBondContact N-O 3.14Å; N43-E56 PolarHBondContact ND2-OE2 3.28Å; N43-E56 PolarHBondContact O-N 3.11Å; E56-W82 WeakPolarHBondContact CA-O 3.32Å; E56-T83 HydrophobicContact CG-CG2 3.6Å
57R70.5Confident61.3Low46 Ų4664.7 Ų64.717%0.17433%0.333CS..EExtended strand (participates in β ladder)trans-107.9138.1176.7-64.7177.9175.5-88.8-2.5111.7E40 I41 T55 R81 W82E40-R57 CarbonylContact O-C 3.56Å; E40-R57 WeakPolarHBondContact O-CA 3.49Å; I41-R57 HydrophobicContact CG1-CG 4.05Å; T55-R57 HydrophobicContact CG2-CG 4.1Å; R57-R81 CarbonylContact O-C 3.43Å; R57-R81 WeakPolarHBondContact O-CA 3.3Å; R57-W82 HydrophobicContact CB-CB 4.09Å; R57-W82 HydrophobicContact CB-CG 4.24Å; R57-W82 PolarHBondContact O-N 2.98Å
58K69.5Low60.2Low61 Ų6170.7 Ų70.727%0.26536%0.363SS..EExtended strand (participates in β ladder)trans-90.2121.7163.4-175.4171.3171.4-164.20109.4S39 E40 V42 E79 T80S39-K58 CarbonylContact C-O 3.58Å; S39-K58 VanDerWaalsContact CA-O 3.23Å; S39-K58 WeakPolarHBondContact CA-O 3.37Å; E40-K58 HydrophobicContact CG-CB 3.79Å; E40-K58 PolarHBondContact N-O 3.36Å; E40-K58 PolarHBondContact O-N 2.83Å; E40-K58 WeakPolarHBondContact OE1-CD 3.13Å; V42-K58 HydrophobicContact CG2-CB 3.43Å; V42-K58 VanDerWaalsContact CG2-CB 3.43Å; K58-E79 WeakPolarHBondContact CE-OE1 3.29Å; K58-E79 WeakPolarHBondContact CE-OE2 3.42Å; K58-E79 HydrophobicContact CG-CB 4.39Å; K58-E79 IonicContact NZ-OE1 3.98Å; K58-E79 PolarHBondContact NZ-OE1 3.25Å; K58-E79 IonicContact NZ-OE2 3Å; K58-E79 PolarHBondContact NZ-OE2 3Å; K58-T80 CarbonylContact C-O 3.38Å; K58-T80 WeakPolarHBondContact CA-O 3.28Å
59C63Low59Low2 Ų265.9 Ų65.91%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-116.9146.8178-43.30000113.7L36 G38 S39 E79 T80 W82L36-C59 HydrophobicContact CD1-CB 3.6Å; G38-C59 CarbonylContact O-C 3.42Å; G38-C59 WeakPolarHBondContact O-CA 3.41Å; S39-C59 WeakPolarHBondContact CB-SG 3.5Å; C59-E79 WeakPolarHBondContact O-CA 3.39Å; C59-T80 WeakPolarHBondContact CB-OG1 3.44Å; C59-T80 PolarHBondContact N-O 2.62Å; C59-T80 PolarHBondContact N-OG1 3.28Å; C59-T80 PolarHBondContact O-N 2.9Å; C59-T80 VanDerWaalsContact O-N 3.15Å; C59-T80 PolarHBondContact O-OG1 3.06Å; C59-W82 PolarHBondContact SG-NE1 2.78Å
60K63Low57.8Low123 Ų12370.3 Ų70.354%0.53534%0.342SS..EExtended strand (participates in β ladder)trans-102.9123.4177.2-169.4179-176.6175.70109.2V37 G38 S77V37-K60 HydrophobicContact CB-CB 4.26Å; V37-K60 HydrophobicContact CB-CD 4.39Å; V37-K60 HydrophobicContact CB-CG 4.22Å; V37-K60 WeakPolarHBondContact CB-O 3.38Å; V37-K60 HydrophobicContact CG1-CD 4.16Å; V37-K60 PolarHBondContact N-O 3.48Å; G38-K60 PolarHBondContact O-N 3.46Å; K60-S77 WeakPolarHBondContact CG-OG 3.31Å
61L59.8Low56.3Low22 Ų2276.4 Ų76.412%0.11536%0.361CS..EExtended strand (participates in β ladder)trans-113.6139-174.4-57.8176.9000113.4I35 L36 V63 S77 P78 T80 I90I35-L61 HydrophobicContact CG1-CB 4.44Å; I35-L61 HydrophobicContact CG1-CD2 4.49Å; I35-L61 CarbonylContact O-C 3.28Å; I35-L61 WeakPolarHBondContact O-CA 3.38Å; L36-L61 HydrophobicContact CD1-CD2 4.15Å; L61-V63 HydrophobicContact CB-CG2 4.34Å; L61-S77 PolarHBondContact N-OG 3.2Å; L61-S77 VanDerWaalsContact O-CB 3.3Å; L61-S77 WeakPolarHBondContact O-CB 3.18Å; L61-S77 PolarHBondContact O-OG 3.23Å; L61-P78 HydrophobicContact CB-CG 4.1Å; L61-P78 HydrophobicContact CD1-CG 4.3Å; L61-P78 PolarHBondContact N-O 3.4Å; L61-T80 HydrophobicContact CD1-CG2 3.93Å; L61-I90 HydrophobicContact CD1-CD1 4.14Å; L61-I90 HydrophobicContact CD1-CG1 4.43Å
62R57.7Low55Low158 Ų15877.1 Ų77.160%0.59636%0.363SS*.  trans-92.694.9171.9-173-175.2-60.6-175.33.1109.6I35 V37I35-R62 WeakPolarHBondContact CG1-O 3.37Å; I35-R62 PolarHBondContact O-N 2.98Å; V37-R62 HydrophobicContact CG2-CB 3.67Å
63V54.5Low53.3Low72 Ų7283.8 Ų83.844%0.43639%0.39SS..  trans-93.4113.4-179.4-175.30000110L61 A65 P78L61-V63 HydrophobicContact CB-CG2 4.34Å; V63-A65 PolarHBondContact O-N 3.07Å; V63-P78 HydrophobicContact CG2-CG 3.86Å
64D51.5Low51.4Low144 Ų14486.2 Ų86.277%0.7740%0.398SS*.  trans-84.194.8169.4-101.5-35.2000109.8
65A50.7Low49.4Very low7 Ų790.1 Ų90.16%0.05841%0.413CS..  trans-84.4140.8178.100000111.5V63 L69 R70 F75V63-A65 PolarHBondContact O-N 3.07Å; A65-L69 HydrophobicContact CB-CB 3.83Å; A65-L69 HydrophobicContact CB-CD1 4.36Å; A65-R70 PolarHBondContact O-NE 3.26Å; A65-R70 PolarHBondContact O-NH2 2.94Å; A65-F75 HydrophobicContact CB-CD1 3.92Å; A65-F75 HydrophobicContact CB-CD2 4.47Å; A65-F75 HydrophobicContact CB-CE1 3.92Å; A65-F75 HydrophobicContact CB-CE2 4.5Å; A65-F75 HydrophobicContact CB-CG 4.2Å; A65-F75 HydrophobicContact CB-CZ 4.22Å
66P47.7Very low47.4Very low75 Ų7599.2 Ų99.249%0.48745%0.446SS..  trans-48.5150.9169.6-28.531.6000113.3I68 L69 R70P66-I68 VanDerWaalsContact C-N 3.26Å; P66-I68 PolarHBondContact O-N 3.47Å; P66-I68 VanDerWaalsContact O-N 3.09Å; P66-L69 WeakPolarHBondContact O-CA 3.48Å; P66-L69 WeakPolarHBondContact O-CB 3.4Å; P66-L69 PolarHBondContact O-N 2.87Å; P66-R70 PolarHBondContact O-N 3.43Å; P66-R70 VanDerWaalsContact O-N 3.14Å
67Y42.5Very low45.6Very low152 Ų15299.8 Ų99.860%0.59645%0.453SS*.Hα-helixtrans-52.9-36.7-171.4-178.2-104.8000114.7L69 R70 K71Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 3.34Å; Y67-R70 WeakPolarHBondContact O-CB 3.46Å; Y67-R70 PolarHBondContact O-N 3.37Å; Y67-K71 HydrophobicContact CE1-CD 4.46Å; Y67-K71 PolarHBondContact O-N 2.9Å
68I43.1Very low43.7Very low138 Ų13898.1 Ų98.171%0.70845%0.448SS*.Hα-helixtrans-60.2-41.6174.8-89.9164000111.9P66 K71P66-I68 VanDerWaalsContact C-N 3.26Å; P66-I68 PolarHBondContact O-N 3.47Å; P66-I68 VanDerWaalsContact O-N 3.09Å; I68-K71 PolarHBondContact O-N 3.44Å
69L42.8Very low41.6Very low33 Ų33100.4 Ų100.417%0.17346%0.46CS..Hα-helixtrans-72.8-30.2178.1-67.5-175.5000111.8A65 P66 Y67 V72 F75 F128A65-L69 HydrophobicContact CB-CB 3.83Å; A65-L69 HydrophobicContact CB-CD1 4.36Å; P66-L69 WeakPolarHBondContact O-CA 3.48Å; P66-L69 WeakPolarHBondContact O-CB 3.4Å; P66-L69 PolarHBondContact O-N 2.87Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 3.34Å; L69-V72 VanDerWaalsContact O-O 3.09Å; L69-F75 HydrophobicContact CB-CD2 4.29Å; L69-F75 HydrophobicContact CB-CE2 3.59Å; L69-F75 HydrophobicContact CB-CZ 3.91Å; L69-F75 HydrophobicContact CD1-CZ 4.01Å; L69-F75 HydrophobicContact CD2-CE2 4.31Å; L69-F75 HydrophobicContact CD2-CZ 4.4Å; L69-F75 HydrophobicContact CG-CE2 4.35Å; L69-F75 HydrophobicContact CG-CZ 4.34Å; L69-F75 WeakPolarHBondContact O-CD2 3.44Å; L69-F75 WeakPolarHBondContact O-CE2 3.5Å; L69-F128 HydrophobicContact CD2-CD1 4.45Å; L69-F128 HydrophobicContact CD2-CE1 3.61Å; L69-F128 HydrophobicContact CD2-CZ 4.46Å
70R40.5Very low40Very low153 Ų153100.4 Ų100.458%0.57746%0.46SS*.Hα-helixtrans-66.3-35.1173.9-86.2-176.2-94.8177.4-7.5113.8A65 P66 Y67 V72A65-R70 PolarHBondContact O-NE 3.26Å; A65-R70 PolarHBondContact O-NH2 2.94Å; P66-R70 PolarHBondContact O-N 3.43Å; P66-R70 VanDerWaalsContact O-N 3.14Å; Y67-R70 WeakPolarHBondContact O-CB 3.46Å; Y67-R70 PolarHBondContact O-N 3.37Å; R70-V72 VanDerWaalsContact C-N 3.33Å
71K33.9Very low38.3Very low153 Ų153101 Ų10167%0.66546%0.459SS*.Hα-helixtrans-71.5-26.6-178.7-100-166.2176-175.50113.5Y67 I68 K73Y67-K71 HydrophobicContact CE1-CD 4.46Å; Y67-K71 PolarHBondContact O-N 2.9Å; I68-K71 PolarHBondContact O-N 3.44Å; K71-K73 PolarHBondContact O-N 3.08Å
72V33.7Very low36.7Very low72 Ų72101.7 Ų101.744%0.43646%0.46SS..SBendtrans-79.1105.8167.1-152.60000105.8L69 R70 Y74L69-V72 VanDerWaalsContact O-O 3.09Å; R70-V72 VanDerWaalsContact C-N 3.33Å; V72-Y74 HydrophobicContact CB-CD2 4.49Å; V72-Y74 HydrophobicContact CG1-CD2 3.7Å; V72-Y74 HydrophobicContact CG1-CE2 4Å; V72-Y74 PolarHBondContact O-N 3.17Å
73K27Very low35.5Very low201 Ų20195 Ų9587%0.87444%0.437SS*.THydrogen-bonded Turntrans-53.220.5-167.6-91.7-177.8175179.30118.5K71K71-K73 PolarHBondContact O-N 3.08Å
74Y28.4Very low34.6Very low135 Ų13594.9 Ų94.953%0.52944%0.439SS..THydrogen-bonded Turntrans-110.83.8-164.3-63.3-74.1000116.5V72 R76 N94V72-Y74 HydrophobicContact CB-CD2 4.49Å; V72-Y74 HydrophobicContact CG1-CD2 3.7Å; V72-Y74 HydrophobicContact CG1-CE2 4Å; V72-Y74 PolarHBondContact O-N 3.17Å; Y74-R76 PolarHBondContact O-N 3.27Å; Y74-N94 WeakPolarHBondContact CD1-ND2 3.34Å
75F24.2Very low33.8Very low100 Ų10090.7 Ų90.744%0.43942%0.418SS..  trans-87.991.6178-79-93.5000112.5A65 L69A65-F75 HydrophobicContact CB-CD1 3.92Å; A65-F75 HydrophobicContact CB-CD2 4.47Å; A65-F75 HydrophobicContact CB-CE1 3.92Å; A65-F75 HydrophobicContact CB-CE2 4.5Å; A65-F75 HydrophobicContact CB-CG 4.2Å; A65-F75 HydrophobicContact CB-CZ 4.22Å; L69-F75 HydrophobicContact CB-CD2 4.29Å; L69-F75 HydrophobicContact CB-CE2 3.59Å; L69-F75 HydrophobicContact CB-CZ 3.91Å; L69-F75 HydrophobicContact CD1-CZ 4.01Å; L69-F75 HydrophobicContact CD2-CE2 4.31Å; L69-F75 HydrophobicContact CD2-CZ 4.4Å; L69-F75 HydrophobicContact CG-CE2 4.35Å; L69-F75 HydrophobicContact CG-CZ 4.34Å; L69-F75 WeakPolarHBondContact O-CD2 3.44Å; L69-F75 WeakPolarHBondContact O-CE2 3.5Å
76R26.1Very low33.3Very low208 Ų20890.9 Ų90.979%0.78542%0.418SS*.  trans-115.2141.9157.9-102.5-179175.5172.9-1.1109.2Y74 F93Y74-R76 PolarHBondContact O-N 3.27Å; R76-F93 HydrophobicContact CB-CD2 4.34Å; R76-F93 HydrophobicContact CB-CE2 3.98Å; R76-F93 HydrophobicContact CB-CZ 4.33Å; R76-F93 VanDerWaalsContact O-CD2 3.22Å; R76-F93 WeakPolarHBondContact O-CD2 3.5Å
77S27Very low32.7Very low40 Ų4088.8 Ų88.828%0.2840%0.401SS..  trans-31.5122-175.3167.80000113.9K60 L61K60-S77 WeakPolarHBondContact CG-OG 3.31Å; L61-S77 PolarHBondContact N-OG 3.2Å; L61-S77 VanDerWaalsContact O-CB 3.3Å; L61-S77 WeakPolarHBondContact O-CB 3.18Å; L61-S77 PolarHBondContact O-OG 3.23Å
78P31.7Very low32.4Very low12 Ų1281.8 Ų81.88%0.07838%0.375CS..  trans-71.7154.5175.327.1-29.9000112.4L61 V63 I90L61-P78 HydrophobicContact CB-CG 4.1Å; L61-P78 HydrophobicContact CD1-CG 4.3Å; L61-P78 PolarHBondContact N-O 3.4Å; V63-P78 HydrophobicContact CG2-CG 3.86Å; P78-I90 HydrophobicContact CB-CG2 3.48Å; P78-I90 VanDerWaalsContact CB-CG2 3.48Å; P78-I90 HydrophobicContact CG-CG2 3.84Å
79E25.7Very low32.1Very low108 Ų10879 Ų7951%0.50536%0.355SS..EExtended strand (participates in β ladder)trans-106.4132.2175.6-60.8-176.6151.900109.2K58 C59K58-E79 WeakPolarHBondContact CE-OE1 3.29Å; K58-E79 WeakPolarHBondContact CE-OE2 3.42Å; K58-E79 HydrophobicContact CG-CB 4.39Å; K58-E79 IonicContact NZ-OE1 3.98Å; K58-E79 PolarHBondContact NZ-OE1 3.25Å; K58-E79 IonicContact NZ-OE2 3Å; K58-E79 PolarHBondContact NZ-OE2 3Å; C59-E79 WeakPolarHBondContact O-CA 3.39Å
80T29.4Very low31.9Very low2 Ų279.2 Ų79.21%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-127.1141.9-172.2410000113.3K58 C59 L61 C88 R89 I90K58-T80 CarbonylContact C-O 3.38Å; K58-T80 WeakPolarHBondContact CA-O 3.28Å; C59-T80 WeakPolarHBondContact CB-OG1 3.44Å; C59-T80 PolarHBondContact N-O 2.62Å; C59-T80 PolarHBondContact N-OG1 3.28Å; C59-T80 PolarHBondContact O-N 2.9Å; C59-T80 VanDerWaalsContact O-N 3.15Å; C59-T80 PolarHBondContact O-OG1 3.06Å; L61-T80 HydrophobicContact CD1-CG2 3.93Å; T80-C88 VanDerWaalsContact CG2-SG 3.55Å; T80-R89 WeakPolarHBondContact CA-O 3.41Å; T80-I90 HydrophobicContact CG2-CB 3.98Å; T80-I90 HydrophobicContact CG2-CD1 4.45Å; T80-I90 HydrophobicContact CG2-CG1 3.36Å; T80-I90 HydrophobicContact CG2-CG2 4.35Å
81R26.9Very low31.7Very low136 Ų13677.7 Ų77.751%0.51335%0.354SS..EExtended strand (participates in β ladder)trans-104.1136.3172.7-72.7-173.5-174.2178.91.1112.4R57 C88 R89R57-R81 CarbonylContact O-C 3.43Å; R57-R81 WeakPolarHBondContact O-CA 3.3Å; R81-C88 WeakPolarHBondContact O-CA 3.04Å; R81-R89 PolarHBondContact O-N 3.38Å
82W25.9Very low32.1Very low36 Ų3672.1 Ų72.114%0.13633%0.334CS..  trans-109.5165.3178.1-64.566.4000112.2Y23 F27 T55 E56 R57 C59 I86Y23-W82 WeakPolarHBondContact OH-CZ3 3.4Å; F27-W82 HydrophobicContact CE1-CZ2 4.44Å; F27-W82 HydrophobicContact CZ-CD2 4.23Å; F27-W82 HydrophobicContact CZ-CE3 4.03Å; F27-W82 HydrophobicContact CZ-CH2 4.25Å; F27-W82 HydrophobicContact CZ-CZ2 4.39Å; F27-W82 HydrophobicContact CZ-CZ3 4.08Å; T55-W82 CarbonylContact O-C 3.48Å; E56-W82 WeakPolarHBondContact CA-O 3.32Å; R57-W82 HydrophobicContact CB-CB 4.09Å; R57-W82 HydrophobicContact CB-CG 4.24Å; R57-W82 PolarHBondContact O-N 2.98Å; C59-W82 PolarHBondContact SG-NE1 2.78Å; W82-I86 HydrophobicContact CE3-CG1 4.5Å; W82-I86 HydrophobicContact CE3-CG2 3.46Å; W82-I86 VanDerWaalsContact CE3-CG2 3.46Å; W82-I86 HydrophobicContact CZ3-CG2 3.4Å; W82-I86 VanDerWaalsContact CZ3-CG2 3.4Å
83T33Very low32.3Very low18 Ų1874 Ų7411%0.1134%0.336CS..  trans-159.8164.4169.824.40000109.6V54 T55 E56 V85 I86V54-T83 HydrophobicContact CG1-CG2 3.61Å; T55-T83 WeakPolarHBondContact O-CA 3.48Å; E56-T83 HydrophobicContact CG-CG2 3.6Å; T83-V85 CarbonylContact C-O 3.49Å; T83-V85 CarbonylContact O-C 3.55Å; T83-V85 PolarHBondContact O-N 3.2Å; T83-V85 VanDerWaalsContact O-O 3.1Å; T83-V85 PolarHBondContact OG1-O 2.94Å; T83-I86 WeakPolarHBondContact O-CA 3.38Å; T83-I86 PolarHBondContact O-N 3.36Å
84S35Very low33.3Very low69 Ų6969 Ų6948%0.48332%0.319SS..SBendtrans-72.6-3.9-174.3-44.20000115.8K53 V54K53-S84 WeakPolarHBondContact O-CB 3.01Å; K53-S84 PolarHBondContact O-OG 2.96Å; V54-S84 WeakPolarHBondContact CA-OG 3.48Å
85V35.3Very low34.6Very low56 Ų5673.2 Ų73.234%0.33933%0.334SS..SBendtrans-102.2103.8141.5171.50000103.8T83 K87 I102 C198T83-V85 CarbonylContact C-O 3.49Å; T83-V85 CarbonylContact O-C 3.55Å; T83-V85 PolarHBondContact O-N 3.2Å; T83-V85 VanDerWaalsContact O-O 3.1Å; T83-V85 PolarHBondContact OG1-O 2.94Å; V85-K87 VanDerWaalsContact C-N 3.28Å; V85-K87 PolarHBondContact O-N 2.75Å; V85-I102 HydrophobicContact CG1-CG2 3.89Å; V85-C198 HydrophobicContact CG2-CB 4.34Å; V85-C198 VanDerWaalsContact CG2-SG 3.54Å
86I40.6Very low36.1Very low11 Ų1170.7 Ų70.76%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-61.486.1-163.9-68.9152.2000110.6Y23 W82 T83 E101 I102 F103Y23-I86 HydrophobicContact CE1-CD1 3.87Å; Y23-I86 HydrophobicContact CE1-CG1 4.48Å; Y23-I86 HydrophobicContact CE2-CD1 3.82Å; Y23-I86 WeakPolarHBondContact OH-CD1 3.32Å; Y23-I86 WeakPolarHBondContact OH-CG1 3.38Å; W82-I86 HydrophobicContact CE3-CG1 4.5Å; W82-I86 HydrophobicContact CE3-CG2 3.46Å; W82-I86 VanDerWaalsContact CE3-CG2 3.46Å; W82-I86 HydrophobicContact CZ3-CG2 3.4Å; W82-I86 VanDerWaalsContact CZ3-CG2 3.4Å; T83-I86 WeakPolarHBondContact O-CA 3.38Å; T83-I86 PolarHBondContact O-N 3.36Å; I86-E101 CarbonylContact O-C 3.54Å; I86-I102 WeakPolarHBondContact O-CA 2.91Å; I86-F103 HydrophobicContact CB-CB 3.95Å; I86-F103 HydrophobicContact CD1-CB 3.87Å; I86-F103 HydrophobicContact CD1-CD1 3.62Å; I86-F103 HydrophobicContact CD1-CG 4.2Å; I86-F103 HydrophobicContact CG2-CB 4.22Å; I86-F103 PolarHBondContact O-N 3.16Å
87K33.6Very low37.4Very low31 Ų3161.6 Ų61.614%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-10087.2179.8-167.3171.8-176.1168.40109.8V85 R89 E101 Y194V85-K87 VanDerWaalsContact C-N 3.28Å; V85-K87 PolarHBondContact O-N 2.75Å; K87-R89 PolarHBondContact O-N 2.73Å; K87-E101 CarbonylContact C-O 3.52Å; K87-E101 WeakPolarHBondContact CA-O 3.46Å; K87-Y194 HydrophobicContact CD-CD1 4.45Å; K87-Y194 HydrophobicContact CD-CE1 4.21Å
88C36.5Very low39Very low5 Ų561.2 Ų61.23%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-76.7115178.1-168.60000110.2T80 R81 T99 F100 E101T80-C88 VanDerWaalsContact CG2-SG 3.55Å; R81-C88 WeakPolarHBondContact O-CA 3.04Å; C88-T99 VanDerWaalsContact O-O 3.13Å; C88-F100 WeakPolarHBondContact O-CA 3.35Å; C88-E101 HydrophobicContact CB-CB 3.94Å; C88-E101 PolarHBondContact N-O 3.02Å; C88-E101 PolarHBondContact O-N 3.32Å
89R36.1Very low40.3Very low79 Ų7962 Ų6230%0.29829%0.291SS..EExtended strand (participates in β ladder)trans-101.9104.7166.7-85.5178.7178.2176.7-7.1109.8T80 R81 K87 F91 T99 F100T80-R89 WeakPolarHBondContact CA-O 3.41Å; R81-R89 PolarHBondContact O-N 3.38Å; K87-R89 PolarHBondContact O-N 2.73Å; R89-F91 HydrophobicContact CB-CE2 4.22Å; R89-T99 WeakPolarHBondContact CA-O 3.41Å; R89-F100 HydrophobicContact CG-CD1 3.68Å; R89-F100 HydrophobicContact CG-CE1 3.67Å
90I38.5Very low42Very low39 Ų3958.9 Ų58.920%0.228%0.276CS..EExtended strand (participates in β ladder)trans-81116.1168.5-55.6176.8000107.4L61 P78 T80 P92 T99L61-I90 HydrophobicContact CD1-CD1 4.14Å; L61-I90 HydrophobicContact CD1-CG1 4.43Å; P78-I90 HydrophobicContact CB-CG2 3.48Å; P78-I90 VanDerWaalsContact CB-CG2 3.48Å; P78-I90 HydrophobicContact CG-CG2 3.84Å; T80-I90 HydrophobicContact CG2-CB 3.98Å; T80-I90 HydrophobicContact CG2-CD1 4.45Å; T80-I90 HydrophobicContact CG2-CG1 3.36Å; T80-I90 HydrophobicContact CG2-CG2 4.35Å; I90-P92 WeakPolarHBondContact O-CD 3.35Å; I90-T99 HydrophobicContact CB-CG2 4.38Å; I90-T99 WeakPolarHBondContact CB-OG1 3.31Å; I90-T99 HydrophobicContact CD1-CG2 4.08Å; I90-T99 WeakPolarHBondContact CD1-OG1 3.35Å; I90-T99 WeakPolarHBondContact CG1-OG1 3.23Å; I90-T99 PolarHBondContact N-O 2.92Å
91F38.2Very low43.6Very low120 Ų12061.1 Ų61.153%0.52629%0.287SS..EExtended strand (participates in β ladder)trans-95.194.7162.4-65.3-81.3000107.9R89R89-F91 HydrophobicContact CB-CE2 4.22Å
92P40.5Very low45.6Very low37 Ų3756.4 Ų56.424%0.2427%0.271CS..  trans-64.7147164.226.1-27.9000109.4I90 N94 R95 C97I90-P92 WeakPolarHBondContact O-CD 3.35Å; P92-N94 PolarHBondContact O-N 2.79Å; P92-R95 PolarHBondContact O-N 2.84Å; P92-C97 WeakPolarHBondContact CD-O 3.43Å; P92-C97 HydrophobicContact CG-CB 3.73Å; P92-C97 WeakPolarHBondContact CG-O 3.3Å
93F38.5Very low47.7Very low111 Ų11155.2 Ų55.249%0.48727%0.267SS..G310 helixtrans-43.8132.1171.2-87.8-98.8000110.2R76R76-F93 HydrophobicContact CB-CD2 4.34Å; R76-F93 HydrophobicContact CB-CE2 3.98Å; R76-F93 HydrophobicContact CB-CZ 4.33Å; R76-F93 VanDerWaalsContact O-CD2 3.22Å; R76-F93 WeakPolarHBondContact O-CD2 3.5Å
94N48.1Very low49.5Very low95 Ų9556.4 Ų56.451%0.50828%0.275SS..G310 helixtrans74.925.4176.9-66.7-12.3000119.4Y74 P92 L96Y74-N94 WeakPolarHBondContact CD1-ND2 3.34Å; P92-N94 PolarHBondContact O-N 2.79Å; N94-L96 HydrophobicContact CB-CD1 4.2Å; N94-L96 HydrophobicContact CB-CG 3.96Å; N94-L96 WeakPolarHBondContact O-CG 3.21Å; N94-L96 PolarHBondContact O-N 2.89Å
95R55.4Low51.5Low224 Ų22454.4 Ų54.485%0.84526%0.259SS*.G310 helixtrans5716.2173.3-56.6-179.2176.7-174.8-0.5114P92P92-R95 PolarHBondContact O-N 2.84Å
96L56.6Low53.4Low48 Ų4854.9 Ų54.925%0.25126%0.257SS..SBendtrans-77.5-33.8-171.1-62176.3000112.7N94 A125 K126 S127 F128N94-L96 HydrophobicContact CB-CD1 4.2Å; N94-L96 HydrophobicContact CB-CG 3.96Å; N94-L96 WeakPolarHBondContact O-CG 3.21Å; N94-L96 PolarHBondContact O-N 2.89Å; L96-A125 CarbonylContact O-C 3.12Å; L96-K126 PolarHBondContact O-N 3.01Å; L96-S127 WeakPolarHBondContact CD2-O 3.36Å; L96-S127 PolarHBondContact O-N 3.19Å; L96-F128 HydrophobicContact CB-CE2 3.92Å
97C53.8Low55.1Low17 Ų1757.6 Ų57.612%0.11527%0.274CS..EExtended strand (participates in β ladder)trans-133.1160.9171.6-74.10000109.9P92 D124 F128P92-C97 WeakPolarHBondContact CD-O 3.43Å; P92-C97 HydrophobicContact CG-CB 3.73Å; P92-C97 WeakPolarHBondContact CG-O 3.3Å; C97-D124 CarbonylContact C-O 3.21Å; C97-D124 WeakPolarHBondContact CA-O 3.07Å; C97-F128 WeakPolarHBondContact SG-CE2 3.09Å
98Q59.4Low57.4Low31 Ų3156.6 Ų56.615%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-140.1127.9166.8-166.1172.99.800107.8F100 D124Q98-F100 HydrophobicContact CB-CE2 3.95Å; Q98-F100 HydrophobicContact CG-CD2 4.16Å; Q98-F100 HydrophobicContact CG-CE1 4.49Å; Q98-F100 HydrophobicContact CG-CE2 3.36Å; Q98-F100 HydrophobicContact CG-CZ 3.59Å; Q98-D124 PolarHBondContact N-O 2.83Å; Q98-D124 PolarHBondContact O-N 2.73Å
99T58.9Low59.3Low28 Ų2860.9 Ų60.917%0.17230%0.298CS..EExtended strand (participates in β ladder)trans-108.7149.8171.673.20000110.6C88 R89 I90 C122 L123C88-T99 VanDerWaalsContact O-O 3.13Å; R89-T99 WeakPolarHBondContact CA-O 3.41Å; I90-T99 HydrophobicContact CB-CG2 4.38Å; I90-T99 WeakPolarHBondContact CB-OG1 3.31Å; I90-T99 HydrophobicContact CD1-CG2 4.08Å; I90-T99 WeakPolarHBondContact CD1-OG1 3.35Å; I90-T99 WeakPolarHBondContact CG1-OG1 3.23Å; I90-T99 PolarHBondContact N-O 2.92Å; T99-C122 CarbonylContact C-O 3.54Å; T99-C122 VanDerWaalsContact CA-O 3.23Å; T99-C122 WeakPolarHBondContact CA-O 3.44Å; T99-L123 HydrophobicContact CG2-CB 4.23Å; T99-L123 HydrophobicContact CG2-CD1 3.63Å; T99-L123 HydrophobicContact CG2-CG 3.8Å
100F61.2Low61.3Low44 Ų4465.4 Ų65.419%0.19332%0.322CS..EExtended strand (participates in β ladder)trans-135.1117.6176.3-60-98.3000107.8C88 R89 Q98 A121 C122C88-F100 WeakPolarHBondContact O-CA 3.35Å; R89-F100 HydrophobicContact CG-CD1 3.68Å; R89-F100 HydrophobicContact CG-CE1 3.67Å; Q98-F100 HydrophobicContact CB-CE2 3.95Å; Q98-F100 HydrophobicContact CG-CD2 4.16Å; Q98-F100 HydrophobicContact CG-CE1 4.49Å; Q98-F100 HydrophobicContact CG-CE2 3.36Å; Q98-F100 HydrophobicContact CG-CZ 3.59Å; F100-A121 CarbonylContact O-C 3.54Å; F100-A121 VanDerWaalsContact O-CA 3.25Å; F100-A121 WeakPolarHBondContact O-CA 3.47Å; F100-C122 HydrophobicContact CB-CB 4.26Å; F100-C122 PolarHBondContact N-O 3.17Å; F100-C122 PolarHBondContact O-N 3.26Å
101E64.2Low63.6Low49 Ų4966 Ų6623%0.22933%0.326CS..EExtended strand (participates in β ladder)trans-113144.7170.7-167.5178.5159.700108.9I86 K87 C88 R120 A121 Y143I86-E101 CarbonylContact O-C 3.54Å; K87-E101 CarbonylContact C-O 3.52Å; K87-E101 WeakPolarHBondContact CA-O 3.46Å; C88-E101 HydrophobicContact CB-CB 3.94Å; C88-E101 PolarHBondContact N-O 3.02Å; C88-E101 PolarHBondContact O-N 3.32Å; E101-R120 CarbonylContact C-O 3.59Å; E101-R120 VanDerWaalsContact CA-O 3.3Å; E101-R120 WeakPolarHBondContact CA-O 3.05Å; E101-A121 HydrophobicContact CG-CB 4.35Å; E101-Y143 HydrophobicContact CG-CE2 4.35Å; E101-Y143 WeakPolarHBondContact CG-OH 3.43Å; E101-Y143 PolarHBondContact OE1-OH 2.8Å
102I67.5Low65.7Low36 Ų3662.6 Ų62.619%0.18532%0.324CS..EExtended strand (participates in β ladder)trans-135.8119.4177.7-51.1-178.9000108.1V85 I86 R120 F197V85-I102 HydrophobicContact CG1-CG2 3.89Å; I86-I102 WeakPolarHBondContact O-CA 2.91Å; I102-R120 HydrophobicContact CB-CB 4.35Å; I102-R120 PolarHBondContact N-O 3.14Å; I102-R120 PolarHBondContact O-N 2.84Å; I102-F197 HydrophobicContact CD1-CE1 3.96Å; I102-F197 HydrophobicContact CD1-CZ 4.37Å
103F71.4Confident67.9Low11 Ų1166.4 Ų66.45%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-121.486.4177.4-172.4-119.8000111.1Y23 I86 L105 Y117 E118 Q119Y23-F103 HydrophobicContact CE2-CD1 4.45Å; I86-F103 HydrophobicContact CB-CB 3.95Å; I86-F103 HydrophobicContact CD1-CB 3.87Å; I86-F103 HydrophobicContact CD1-CD1 3.62Å; I86-F103 HydrophobicContact CD1-CG 4.2Å; I86-F103 HydrophobicContact CG2-CB 4.22Å; I86-F103 PolarHBondContact O-N 3.16Å; F103-L105 HydrophobicContact CD1-CD1 3.59Å; F103-L105 HydrophobicContact CD1-CG 3.85Å; F103-L105 HydrophobicContact CE1-CD1 3.44Å; F103-L105 VanDerWaalsContact CE1-CD1 3.44Å; F103-L105 HydrophobicContact CE1-CD2 3.74Å; F103-L105 HydrophobicContact CE1-CG 3.52Å; F103-L105 HydrophobicContact CZ-CD2 4.12Å; F103-L105 HydrophobicContact CZ-CG 4.23Å; F103-Y117 HydrophobicContact CD2-CD2 4.14Å; F103-Y117 AromaticContact CE2-CD2 3.11Å; F103-Y117 HydrophobicContact CE2-CD2 3.11Å; F103-Y117 AromaticContact CE2-CE2 3.66Å; F103-Y117 HydrophobicContact CE2-CE2 3.66Å; F103-Y117 AromaticContact CE2-CG 3.8Å; F103-Y117 HydrophobicContact CE2-CG 3.8Å; F103-Y117 AromaticContact CZ-CD2 3.52Å; F103-Y117 HydrophobicContact CZ-CD2 3.52Å; F103-Y117 HydrophobicContact CZ-CE2 4.02Å; F103-Y117 AromaticContact CZ-CG 3.78Å; F103-Y117 HydrophobicContact CZ-CG 3.78Å; F103-E118 WeakPolarHBondContact CA-O 3.43Å; F103-E118 WeakPolarHBondContact CD2-O 3.28Å; F103-Q119 HydrophobicContact CD2-CB 4.41Å; F103-Q119 HydrophobicContact CD2-CG 3.18Å; F103-Q119 HydrophobicContact CE2-CG 3.44Å; F103-Q119 VanDerWaalsContact CE2-CG 3.44Å; F103-Q119 HydrophobicContact CG-CG 4.35Å
104P69.9Low70.3Confident43 Ų4365 Ų6528%0.27933%0.331SS..  trans-75125.5170.630.8-35.8000110.5Y117 E118P104-Y117 VanDerWaalsContact O-CA 3.25Å; P104-Y117 WeakPolarHBondContact O-CA 3.1Å; P104-E118 VanDerWaalsContact CD-O 3.23Å; P104-E118 WeakPolarHBondContact CD-O 3.02Å; P104-E118 HydrophobicContact CG-CB 3.98Å; P104-E118 PolarHBondContact O-N 3.4Å
105L76.9Confident72.1Confident28 Ų2860.5 Ų60.515%0.14731%0.307CS..EExtended strand (participates in β ladder)trans-107.4141.7165.9-71.5139.2000108.4F16 V19 M20 F103 T115 S116F16-L105 HydrophobicContact CD2-CB 4.37Å; F16-L105 HydrophobicContact CE2-CB 3.81Å; V19-L105 HydrophobicContact CG1-CD2 3.73Å; M20-L105 HydrophobicContact SD-CD1 3.69Å; F103-L105 HydrophobicContact CD1-CD1 3.59Å; F103-L105 HydrophobicContact CD1-CG 3.85Å; F103-L105 HydrophobicContact CE1-CD1 3.44Å; F103-L105 VanDerWaalsContact CE1-CD1 3.44Å; F103-L105 HydrophobicContact CE1-CD2 3.74Å; F103-L105 HydrophobicContact CE1-CG 3.52Å; F103-L105 HydrophobicContact CZ-CD2 4.12Å; F103-L105 HydrophobicContact CZ-CG 4.23Å; L105-T115 HydrophobicContact CB-CG2 4.39Å; L105-T115 HydrophobicContact CD2-CG2 3.74Å; L105-S116 WeakPolarHBondContact CA-O 3.35Å
106Q76.9Confident73.4Confident65 Ų6550 Ų5030%0.30427%0.267SS..EExtended strand (participates in β ladder)trans-151.9157.6176.763.2-168-21.400110.3T115 S116Q106-T115 CarbonylContact O-C 3.48Å; Q106-T115 WeakPolarHBondContact O-CA 3.25Å; Q106-T115 WeakPolarHBondContact O-CG2 3.49Å; Q106-S116 PolarHBondContact N-O 3.3Å; Q106-S116 PolarHBondContact O-N 3.26Å; Q106-S116 VanDerWaalsContact O-O 3.11Å
107V76.3Confident74.5Confident69 Ų6947.8 Ų47.842%0.41826%0.256SS..EExtended strand (participates in β ladder)trans-60.2137.3169.3-179.30000109.2F16F16-V107 HydrophobicContact CB-CG2 3.79Å; F16-V107 HydrophobicContact CG-CG2 4.27Å
108H80.2Confident75.5Confident9 Ų947.2 Ų47.24%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-66.2131.6-179.1-174.2-78.8000110.3E110 N111 W114 S116H108-E110 VanDerWaalsContact C-N 3.28Å; H108-E110 PolarHBondContact ND1-N 3.47Å; H108-E110 VanDerWaalsContact ND1-N 3.17Å; H108-E110 PolarHBondContact O-N 3.36Å; H108-N111 WeakPolarHBondContact CB-O 3.26Å; H108-N111 PolarHBondContact ND1-N 2.62Å; H108-N111 CarbonylContact O-C 3.53Å; H108-N111 PolarHBondContact O-N 3.39Å; H108-W114 HydrophobicContact CB-CB 3.68Å; H108-W114 WeakPolarHBondContact CB-O 3.14Å; H108-W114 PolarHBondContact N-O 2.94Å; H108-S116 WeakPolarHBondContact CA-OG 3.25Å; H108-S116 PolarHBondContact CD2-OG 2.66Å
109P76.6Confident76.3Confident96 Ų9646.5 Ų46.562%0.62325%0.248SC*.THydrogen-bonded Turntrans-63.4-31.9-171.123.5-33.8000113.6
110E79.1Confident76.9Confident174 Ų17449.5 Ų49.581%0.81326%0.256SS*.THydrogen-bonded Turntrans-94.2-13-179.4-51.7-174.8162.800113.6H108H108-E110 VanDerWaalsContact C-N 3.28Å; H108-E110 PolarHBondContact ND1-N 3.47Å; H108-E110 VanDerWaalsContact ND1-N 3.17Å; H108-E110 PolarHBondContact O-N 3.36Å
111N85.3Confident77.3Confident51 Ų5148.1 Ų48.127%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-149.4107.1-175.7-170.7-14.7000111.2H108 E113 W114H108-N111 WeakPolarHBondContact CB-O 3.26Å; H108-N111 PolarHBondContact ND1-N 2.62Å; H108-N111 CarbonylContact O-C 3.53Å; H108-N111 PolarHBondContact O-N 3.39Å; N111-E113 PolarHBondContact O-N 3.39Å; N111-E113 VanDerWaalsContact O-N 3.09Å; N111-E113 PolarHBondContact OD1-N 3.47Å; N111-E113 VanDerWaalsContact OD1-N 3.11Å; N111-W114 HydrophobicContact CB-CB 4.37Å; N111-W114 HydrophobicContact CB-CD2 3.91Å; N111-W114 HydrophobicContact CB-CE3 3.86Å; N111-W114 HydrophobicContact CB-CG 4.15Å; N111-W114 HydrophobicContact CB-CZ3 4.42Å; N111-W114 VanDerWaalsContact ND2-CD2 3.32Å; N111-W114 WeakPolarHBondContact ND2-CZ2 3.07Å; N111-W114 PolarHBondContact ND2-NE1 2.8Å; N111-W114 PolarHBondContact O-N 3.08Å
112G82.7Confident77.3Confident48 Ų4847.4 Ų47.450%0.49525%0.253SS..EExtended strand (participates in β ladder)trans-60.8-20.1-17800000115.1W114G112-W114 VanDerWaalsContact C-N 3.32Å
113E87.4Confident77.2Confident117 Ų11746.9 Ų46.955%0.54725%0.25SS..EExtended strand (participates in β ladder)trans-86.9-1.5179.6-61.1-60.1132.300113.1Y14 P15 N111Y14-E113 CarbonylContact C-O 3.49Å; P15-E113 WeakPolarHBondContact CA-O 3.2Å; N111-E113 PolarHBondContact O-N 3.39Å; N111-E113 VanDerWaalsContact O-N 3.09Å; N111-E113 PolarHBondContact OD1-N 3.47Å; N111-E113 VanDerWaalsContact OD1-N 3.11Å
114W88.3Confident76.9Confident83 Ų8348.2 Ų48.231%0.31426%0.258SS..EExtended strand (participates in β ladder)trans-114.7156.3-179.7-64.8-7.1000111.3V11 Y12 K13 Y14 H108 N111 G112V11-W114 HydrophobicContact CG1-CB 4.03Å; V11-W114 HydrophobicContact CG1-CD2 4.33Å; V11-W114 HydrophobicContact CG1-CE3 4.02Å; V11-W114 HydrophobicContact CG1-CG 4.38Å; Y12-W114 WeakPolarHBondContact O-CA 3.38Å; K13-W114 HydrophobicContact CD-CZ2 4.48Å; K13-W114 HydrophobicContact CG-CD2 4.39Å; K13-W114 HydrophobicContact CG-CZ2 4.46Å; Y14-W114 CarbonylContact O-C 3.56Å; H108-W114 HydrophobicContact CB-CB 3.68Å; H108-W114 WeakPolarHBondContact CB-O 3.14Å; H108-W114 PolarHBondContact N-O 2.94Å; N111-W114 HydrophobicContact CB-CB 4.37Å; N111-W114 HydrophobicContact CB-CD2 3.91Å; N111-W114 HydrophobicContact CB-CE3 3.86Å; N111-W114 HydrophobicContact CB-CG 4.15Å; N111-W114 HydrophobicContact CB-CZ3 4.42Å; N111-W114 VanDerWaalsContact ND2-CD2 3.32Å; N111-W114 WeakPolarHBondContact ND2-CZ2 3.07Å; N111-W114 PolarHBondContact ND2-NE1 2.8Å; N111-W114 PolarHBondContact O-N 3.08Å; G112-W114 VanDerWaalsContact C-N 3.32Å
115T86Confident76.8Confident0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-118.3119.7179.1-54.90000110V11 Y12 Y14 F16 V19 L105 Q106V11-T115 WeakPolarHBondContact CA-O 3.13Å; Y12-T115 PolarHBondContact N-O 3.19Å; Y12-T115 PolarHBondContact O-N 2.88Å; Y14-T115 PolarHBondContact O-N 2.92Å; Y14-T115 PolarHBondContact O-OG1 3.11Å; F16-T115 WeakPolarHBondContact CA-OG1 2.99Å; F16-T115 HydrophobicContact CD2-CG2 4.02Å; F16-T115 PolarHBondContact N-OG1 3.28Å; F16-T115 VanDerWaalsContact N-OG1 3.14Å; V19-T115 HydrophobicContact CB-CG2 4.36Å; V19-T115 HydrophobicContact CG1-CG2 4.21Å; V19-T115 HydrophobicContact CG2-CG2 4.41Å; L105-T115 HydrophobicContact CB-CG2 4.39Å; L105-T115 HydrophobicContact CD2-CG2 3.74Å; Q106-T115 CarbonylContact O-C 3.48Å; Q106-T115 WeakPolarHBondContact O-CA 3.25Å; Q106-T115 WeakPolarHBondContact O-CG2 3.49Å
116S82.4Confident76.4Confident3 Ų350.8 Ų50.82%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-88.6143.9170.8-60.70000110.4R10 L105 Q106 H108R10-S116 CarbonylContact O-C 3.53Å; R10-S116 WeakPolarHBondContact O-CA 3.14Å; L105-S116 WeakPolarHBondContact CA-O 3.35Å; Q106-S116 PolarHBondContact N-O 3.3Å; Q106-S116 PolarHBondContact O-N 3.26Å; Q106-S116 VanDerWaalsContact O-O 3.11Å; H108-S116 WeakPolarHBondContact CA-OG 3.25Å; H108-S116 PolarHBondContact CD2-OG 2.66Å
117Y80.6Confident76Confident2 Ų250.4 Ų50.41%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-145.6157.5173.571-89.1000112.8R10 Y12 F103 P104R10-Y117 HydrophobicContact CB-CD1 3.93Å; R10-Y117 HydrophobicContact CB-CD2 4.09Å; R10-Y117 HydrophobicContact CB-CE1 3.34Å; R10-Y117 HydrophobicContact CB-CE2 3.61Å; R10-Y117 HydrophobicContact CB-CG 4.31Å; R10-Y117 VanDerWaalsContact CD-OH 3.25Å; R10-Y117 WeakPolarHBondContact CD-OH 3.13Å; R10-Y117 HydrophobicContact CG-CE2 4.19Å; R10-Y117 PolarHBondContact N-O 2.88Å; R10-Y117 WeakPolarHBondContact O-CD1 3.47Å; R10-Y117 PolarHBondContact O-N 3.23Å; Y12-Y117 HydrophobicContact CD1-CE1 4.44Å; Y12-Y117 AromaticContact CD2-CD1 3.35Å; Y12-Y117 HydrophobicContact CD2-CD1 3.35Å; Y12-Y117 AromaticContact CD2-CE1 3.31Å; Y12-Y117 HydrophobicContact CD2-CE1 3.31Å; Y12-Y117 HydrophobicContact CD2-CG 4.45Å; Y12-Y117 HydrophobicContact CE1-CE1 4.16Å; Y12-Y117 AromaticContact CE2-CD1 3.21Å; Y12-Y117 HydrophobicContact CE2-CD1 3.21Å; Y12-Y117 AromaticContact CE2-CE1 2.92Å; Y12-Y117 HydrophobicContact CE2-CE1 2.92Å; Y12-Y117 HydrophobicContact CE2-CE2 4.42Å; Y12-Y117 HydrophobicContact CE2-CG 4.07Å; Y12-Y117 AromaticContact CE2-CZ 3.58Å; Y12-Y117 HydrophobicContact CG-CD1 4.37Å; Y12-Y117 HydrophobicContact CG-CE1 4.05Å; Y12-Y117 AromaticContact CZ-CE1 3.39Å; Y12-Y117 AromaticContact CZ-CZ 3.66Å; Y12-Y117 PolarHBondContact OH-OH 3.03Å; F103-Y117 HydrophobicContact CD2-CD2 4.14Å; F103-Y117 AromaticContact CE2-CD2 3.11Å; F103-Y117 HydrophobicContact CE2-CD2 3.11Å; F103-Y117 AromaticContact CE2-CE2 3.66Å; F103-Y117 HydrophobicContact CE2-CE2 3.66Å; F103-Y117 AromaticContact CE2-CG 3.8Å; F103-Y117 HydrophobicContact CE2-CG 3.8Å; F103-Y117 AromaticContact CZ-CD2 3.52Å; F103-Y117 HydrophobicContact CZ-CD2 3.52Å; F103-Y117 HydrophobicContact CZ-CE2 4.02Å; F103-Y117 AromaticContact CZ-CG 3.78Å; F103-Y117 HydrophobicContact CZ-CG 3.78Å; P104-Y117 VanDerWaalsContact O-CA 3.25Å; P104-Y117 WeakPolarHBondContact O-CA 3.1Å
118E73.8Confident75.6Confident5 Ų548.6 Ų48.62%0.02326%0.256CS..  trans-130.2156.4171.3-67.6164.5-126.700109.2V9 F103 P104 R120 K213V9-E118 HydrophobicContact CG2-CG 3.76Å; F103-E118 WeakPolarHBondContact CA-O 3.43Å; F103-E118 WeakPolarHBondContact CD2-O 3.28Å; P104-E118 VanDerWaalsContact CD-O 3.23Å; P104-E118 WeakPolarHBondContact CD-O 3.02Å; P104-E118 HydrophobicContact CG-CB 3.98Å; P104-E118 PolarHBondContact O-N 3.4Å; E118-R120 IonicContact OE2-NE 3.62Å; E118-R120 IonicContact OE2-NH2 3.84Å; E118-R120 PolarHBondContact OE2-NH2 3.19Å; E118-K213 VanDerWaalsContact OE1-CD 3.25Å; E118-K213 WeakPolarHBondContact OE1-CD 3.49Å; E118-K213 WeakPolarHBondContact OE1-CE 3.25Å; E118-K213 IonicContact OE1-NZ 2.76Å; E118-K213 PolarHBondContact OE1-NZ 2.94Å; E118-K213 IonicContact OE2-NZ 2.83Å; E118-K213 PolarHBondContact OE2-NZ 3.3Å
119Q75.8Confident75.2Confident16 Ų1657.8 Ų57.88%0.07529%0.291CS..  trans-123.3127.3170.6-78.9174.4-4.200109.1Y5 Q6 S7 F103 V147Y5-Q119 HydrophobicContact CE1-CB 4.26Å; Q6-Q119 CarbonylContact C-O 3.54Å; Q6-Q119 WeakPolarHBondContact CA-O 3.05Å; S7-Q119 PolarHBondContact N-O 2.88Å; S7-Q119 PolarHBondContact OG-N 3.07Å; F103-Q119 HydrophobicContact CD2-CB 4.41Å; F103-Q119 HydrophobicContact CD2-CG 3.18Å; F103-Q119 HydrophobicContact CE2-CG 3.44Å; F103-Q119 VanDerWaalsContact CE2-CG 3.44Å; F103-Q119 HydrophobicContact CG-CG 4.35Å; Q119-V147 VanDerWaalsContact OE1-CG2 3.3Å
120R71.9Confident75Confident91 Ų9156 Ų5634%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-123122.7169.8-62.8-177.4-172.7-165.5-1.6108.6Y5 Q6 E101 I102 E118Y5-R120 CarbonylContact O-C 3.38Å; Y5-R120 VanDerWaalsContact O-CA 3.25Å; Y5-R120 WeakPolarHBondContact O-CA 3.15Å; Q6-R120 HydrophobicContact CB-CG 4.44Å; Q6-R120 HydrophobicContact CG-CG 4.11Å; E101-R120 CarbonylContact C-O 3.59Å; E101-R120 VanDerWaalsContact CA-O 3.3Å; E101-R120 WeakPolarHBondContact CA-O 3.05Å; I102-R120 HydrophobicContact CB-CB 4.35Å; I102-R120 PolarHBondContact N-O 3.14Å; I102-R120 PolarHBondContact O-N 2.84Å; E118-R120 IonicContact OE2-NE 3.62Å; E118-R120 IonicContact OE2-NH2 3.84Å; E118-R120 PolarHBondContact OE2-NH2 3.19Å
121A69.7Low74.6Confident15 Ų1554.1 Ų54.112%0.12428%0.28CS..EExtended strand (participates in β ladder)trans-122.2150.7172.800000110.1T4 Y5 F100 E101 Y143T4-A121 CarbonylContact C-O 3.32Å; T4-A121 WeakPolarHBondContact CA-O 3.44Å; Y5-A121 PolarHBondContact N-O 3.4Å; Y5-A121 PolarHBondContact O-N 3.02Å; F100-A121 CarbonylContact O-C 3.54Å; F100-A121 VanDerWaalsContact O-CA 3.25Å; F100-A121 WeakPolarHBondContact O-CA 3.47Å; E101-A121 HydrophobicContact CG-CB 4.35Å; A121-Y143 HydrophobicContact CB-CD1 4.11Å; A121-Y143 HydrophobicContact CB-CD2 4.37Å; A121-Y143 HydrophobicContact CB-CE1 3.62Å; A121-Y143 HydrophobicContact CB-CE2 3.88Å; A121-Y143 HydrophobicContact CB-CG 4.47Å; A121-Y143 VanDerWaalsContact CB-CZ 3.48Å
122C65Low73.8Confident34 Ų3453.9 Ų53.923%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-143.1130.6-179.81660000107.2V2 Q3 T4 T99 F100V2-C122 WeakPolarHBondContact CG1-SG 3.28Å; Q3-C122 WeakPolarHBondContact O-CA 3.05Å; T4-C122 HydrophobicContact CG2-CB 4.28Å; T99-C122 CarbonylContact C-O 3.54Å; T99-C122 VanDerWaalsContact CA-O 3.23Å; T99-C122 WeakPolarHBondContact CA-O 3.44Å; F100-C122 HydrophobicContact CB-CB 4.26Å; F100-C122 PolarHBondContact N-O 3.17Å; F100-C122 PolarHBondContact O-N 3.26Å
123L65.8Low73.2Confident24 Ų2454.2 Ų54.213%0.12627%0.272CS..EExtended strand (participates in β ladder)trans-123.9122.9173.3-171.9152.6000108.8Q3 T99 A125 E136 A139Q3-L123 PolarHBondContact N-O 3.46Å; Q3-L123 VanDerWaalsContact N-O 3.17Å; Q3-L123 PolarHBondContact O-N 3.07Å; T99-L123 HydrophobicContact CG2-CB 4.23Å; T99-L123 HydrophobicContact CG2-CD1 3.63Å; T99-L123 HydrophobicContact CG2-CG 3.8Å; L123-A125 HydrophobicContact CD2-CB 4.22Å; L123-E136 HydrophobicContact CD2-CB 4.27Å; L123-E136 HydrophobicContact CD2-CG 3.58Å; L123-A139 HydrophobicContact CD1-CB 3.46Å; L123-A139 VanDerWaalsContact CD1-CB 3.46Å
124D64.6Low72.3Confident39 Ų3952.1 Ų52.121%0.20927%0.267CS..EExtended strand (participates in β ladder)trans-111.6105.2176.6176.619.7000108.6V2 C97 Q98 K126V2-D124 HydrophobicContact CG1-CB 4.22Å; V2-D124 HydrophobicContact CG2-CB 3.97Å; C97-D124 CarbonylContact C-O 3.21Å; C97-D124 WeakPolarHBondContact CA-O 3.07Å; Q98-D124 PolarHBondContact N-O 2.83Å; Q98-D124 PolarHBondContact O-N 2.73Å; D124-K126 PolarHBondContact O-N 2.87Å; D124-K126 VanDerWaalsContact OD2-CE 3.22Å; D124-K126 WeakPolarHBondContact OD2-CE 3.49Å; D124-K126 IonicContact OD2-NZ 2.94Å
125A67.6Low71.2Confident6 Ų649.5 Ų49.55%0.0526%0.26CS..EExtended strand (participates in β ladder)trans-86.2102.8172.100000109.1L96 L123 F128 E132 E136L96-A125 CarbonylContact O-C 3.12Å; L123-A125 HydrophobicContact CD2-CB 4.22Å; A125-F128 HydrophobicContact CB-CD2 4.19Å; A125-E132 HydrophobicContact CB-CB 3.98Å; A125-E132 HydrophobicContact CB-CG 4.28Å; A125-E132 VanDerWaalsContact O-CG 3.3Å; A125-E132 WeakPolarHBondContact O-CG 3.49Å; A125-E136 HydrophobicContact CB-CG 3.64Å; A125-E136 PolarHBondContact N-OE1 2.68Å
126K69.2Low70.3Confident120 Ų12049.5 Ų49.552%0.52226%0.26SS..  trans-76-36.1-174.8-60.5-152.9175.4-158.40113.9L96 D124L96-K126 PolarHBondContact O-N 3.01Å; D124-K126 PolarHBondContact O-N 2.87Å; D124-K126 VanDerWaalsContact OD2-CE 3.22Å; D124-K126 WeakPolarHBondContact OD2-CE 3.49Å; D124-K126 IonicContact OD2-NZ 2.94Å
127S67.4Low69.8Low57 Ų5755.1 Ų55.140%0.39929%0.285SS..  trans-153.8109.5-179.7-169.60000111L96L96-S127 WeakPolarHBondContact CD2-O 3.36Å; L96-S127 PolarHBondContact O-N 3.19Å
128F67.6Low69.2Low31 Ų3159.8 Ų59.814%0.13631%0.308CS..SBendtrans-139.533.1178.2-97.8-87.1000111.8L69 L96 C97 A125 G130 F131 E132 V135L69-F128 HydrophobicContact CD2-CD1 4.45Å; L69-F128 HydrophobicContact CD2-CE1 3.61Å; L69-F128 HydrophobicContact CD2-CZ 4.46Å; L96-F128 HydrophobicContact CB-CE2 3.92Å; C97-F128 WeakPolarHBondContact SG-CE2 3.09Å; A125-F128 HydrophobicContact CB-CD2 4.19Å; F128-G130 VanDerWaalsContact C-N 3.26Å; F128-G130 PolarHBondContact O-N 2.71Å; F128-F131 WeakPolarHBondContact O-CB 3.45Å; F128-F131 PolarHBondContact O-N 3.28Å; F128-E132 WeakPolarHBondContact CA-OE1 3.2Å; F128-E132 HydrophobicContact CB-CG 3.97Å; F128-E132 PolarHBondContact N-OE1 2.87Å; F128-V135 HydrophobicContact CD1-CG2 3.74Å; F128-V135 HydrophobicContact CE1-CG2 4.13Å; F128-V135 HydrophobicContact CG-CG2 4.1Å; F128-V135 HydrophobicContact CZ-CG1 4.48Å
129Y73.3Confident68.8Low201 Ų20161 Ų6179%0.78832%0.319SS*.THydrogen-bonded Turntrans54.437173.5-54.8-84.7000113.9E132Y129-E132 PolarHBondContact N-OE1 3.44Å
130G71.5Confident68.5Low60 Ų6060.6 Ų60.662%0.61932%0.318SS*.THydrogen-bonded Turntrans89.7-2-178.600000114.8F128 E132F128-G130 VanDerWaalsContact C-N 3.26Å; F128-G130 PolarHBondContact O-N 2.71Å; G130-E132 WeakPolarHBondContact CA-OE2 3.32Å; G130-E132 PolarHBondContact N-OE1 3.17Å; G130-E132 PolarHBondContact N-OE2 3.45Å; G130-E132 VanDerWaalsContact N-OE2 3.1Å
131F69.7Low68.4Low134 Ų13462.1 Ų62.159%0.58833%0.327SS*.  trans-101.312.8176.8-64-82.7000113.6F128 S133 V134 V135F128-F131 WeakPolarHBondContact O-CB 3.45Å; F128-F131 PolarHBondContact O-N 3.28Å; F131-S133 VanDerWaalsContact C-N 3.3Å; F131-S133 PolarHBondContact O-N 3.03Å; F131-V134 PolarHBondContact O-N 2.95Å; F131-V134 VanDerWaalsContact O-N 3.13Å; F131-V135 WeakPolarHBondContact O-CG2 3.05Å; F131-V135 PolarHBondContact O-N 3.26Å; F131-V135 VanDerWaalsContact O-N 3.07Å
132E70.3Confident68.2Low46 Ų4666.2 Ų66.222%0.21534%0.343CS..Hα-helixtrans-51.8-49.1-176.2-64.873.9-165.900111.1A125 F128 Y129 G130 V134 V135 E136A125-E132 HydrophobicContact CB-CB 3.98Å; A125-E132 HydrophobicContact CB-CG 4.28Å; A125-E132 VanDerWaalsContact O-CG 3.3Å; A125-E132 WeakPolarHBondContact O-CG 3.49Å; F128-E132 WeakPolarHBondContact CA-OE1 3.2Å; F128-E132 HydrophobicContact CB-CG 3.97Å; F128-E132 PolarHBondContact N-OE1 2.87Å; Y129-E132 PolarHBondContact N-OE1 3.44Å; G130-E132 WeakPolarHBondContact CA-OE2 3.32Å; G130-E132 PolarHBondContact N-OE1 3.17Å; G130-E132 PolarHBondContact N-OE2 3.45Å; G130-E132 VanDerWaalsContact N-OE2 3.1Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.68Å; E132-V135 PolarHBondContact O-N 2.58Å; E132-E136 WeakPolarHBondContact O-CB 3.4Å; E132-E136 WeakPolarHBondContact O-CG 2.86Å; E132-E136 PolarHBondContact O-N 3.43Å
133S69.2Low68.4Low54 Ų5466.9 Ų66.938%0.37834%0.341SS..Hα-helixtrans-64.1-35-177.862.90000113.6F131 K137F131-S133 VanDerWaalsContact C-N 3.3Å; F131-S133 PolarHBondContact O-N 3.03Å; S133-K137 WeakPolarHBondContact O-CB 2.96Å; S133-K137 VanDerWaalsContact O-CG 3.3Å; S133-K137 WeakPolarHBondContact O-CG 3.39Å; S133-K137 PolarHBondContact O-N 2.71Å
134V68.9Low68.6Low74 Ų7466.1 Ų66.145%0.44834%0.339SS..Hα-helixtrans-70.4-44.7178.1178.20000110F131 E132 K137 I138F131-V134 PolarHBondContact O-N 2.95Å; F131-V134 VanDerWaalsContact O-N 3.13Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.68Å; V134-K137 PolarHBondContact O-N 3.05Å; V134-I138 HydrophobicContact CG1-CD1 3.94Å; V134-I138 VanDerWaalsContact O-CG1 3.32Å; V134-I138 WeakPolarHBondContact O-CG1 2.87Å; V134-I138 PolarHBondContact O-N 3.32Å
135V65.6Low68.8Low28 Ų2869.3 Ų69.317%0.1735%0.352CS..Hα-helixtrans-62.3-45.2176.9173.70000110.6F128 F131 E132 K137 I138 A139F128-V135 HydrophobicContact CD1-CG2 3.74Å; F128-V135 HydrophobicContact CE1-CG2 4.13Å; F128-V135 HydrophobicContact CG-CG2 4.1Å; F128-V135 HydrophobicContact CZ-CG1 4.48Å; F131-V135 WeakPolarHBondContact O-CG2 3.05Å; F131-V135 PolarHBondContact O-N 3.26Å; F131-V135 VanDerWaalsContact O-N 3.07Å; E132-V135 PolarHBondContact O-N 2.58Å; V135-K137 PolarHBondContact O-N 3.08Å; V135-I138 PolarHBondContact O-N 2.68Å; V135-A139 WeakPolarHBondContact O-CB 3.17Å; V135-A139 PolarHBondContact O-N 3.28Å
136E67.2Low68.9Low0 Ų071.6 Ų71.60%036%0.364CS..Hα-helixtrans-59.4-46.3177.3-71167.7154.500111.6M1 Q3 L123 A125 E132 A139 V140M1-E136 PolarHBondContact N-OE2 3.32Å; Q3-E136 HydrophobicContact CB-CB 4Å; Q3-E136 HydrophobicContact CG-CB 3.49Å; Q3-E136 VanDerWaalsContact CG-CB 3.49Å; Q3-E136 HydrophobicContact CG-CG 4.47Å; L123-E136 HydrophobicContact CD2-CB 4.27Å; L123-E136 HydrophobicContact CD2-CG 3.58Å; A125-E136 HydrophobicContact CB-CG 3.64Å; A125-E136 PolarHBondContact N-OE1 2.68Å; E132-E136 WeakPolarHBondContact O-CB 3.4Å; E132-E136 WeakPolarHBondContact O-CG 2.86Å; E132-E136 PolarHBondContact O-N 3.43Å; E136-A139 PolarHBondContact O-N 3.21Å; E136-V140 PolarHBondContact O-N 3.07Å
137K70.8Confident69Low121 Ų12166.2 Ų66.253%0.52634%0.341SS..Hα-helixtrans-61.9-44.8177.3-77.1-180-177.4-171.40112.8S133 V134 V135 A139 K141S133-K137 WeakPolarHBondContact O-CB 2.96Å; S133-K137 VanDerWaalsContact O-CG 3.3Å; S133-K137 WeakPolarHBondContact O-CG 3.39Å; S133-K137 PolarHBondContact O-N 2.71Å; V134-K137 PolarHBondContact O-N 3.05Å; V135-K137 PolarHBondContact O-N 3.08Å; K137-A139 VanDerWaalsContact C-N 3.33Å; K137-A139 PolarHBondContact O-N 3.29Å; K137-K141 PolarHBondContact O-N 2.74Å; K137-K141 VanDerWaalsContact O-N 3.1Å
138I67.7Low69Low99 Ų9967.8 Ų67.851%0.50834%0.342SS..Hα-helixtrans-62.6-43.7178.6-69168.2000110.5V134 V135 K141 H142V134-I138 HydrophobicContact CG1-CD1 3.94Å; V134-I138 VanDerWaalsContact O-CG1 3.32Å; V134-I138 WeakPolarHBondContact O-CG1 2.87Å; V134-I138 PolarHBondContact O-N 3.32Å; V135-I138 PolarHBondContact O-N 2.68Å; I138-K141 PolarHBondContact O-N 2.76Å; I138-H142 PolarHBondContact O-N 3.47Å
139A66.6Low69.4Low31 Ų3171.9 Ų71.926%0.25636%0.36SS..Hα-helixtrans-67.5-41-17800000112.5L123 V135 E136 K137 H142 Y143L123-A139 HydrophobicContact CD1-CB 3.46Å; L123-A139 VanDerWaalsContact CD1-CB 3.46Å; V135-A139 WeakPolarHBondContact O-CB 3.17Å; V135-A139 PolarHBondContact O-N 3.28Å; E136-A139 PolarHBondContact O-N 3.21Å; K137-A139 VanDerWaalsContact C-N 3.33Å; K137-A139 PolarHBondContact O-N 3.29Å; A139-H142 PolarHBondContact O-N 2.73Å; A139-Y143 WeakPolarHBondContact O-CB 3.19Å; A139-Y143 PolarHBondContact O-N 2.72Å
140V69.3Low69.5Low8 Ų863 Ų635%0.04833%0.329CS..Hα-helixtrans-64.4-40.5175.2168.80000111.7Q3 E136 Y143 A144 L229Q3-V140 HydrophobicContact CB-CG2 3.65Å; E136-V140 PolarHBondContact O-N 3.07Å; V140-Y143 PolarHBondContact O-N 3.18Å; V140-A144 WeakPolarHBondContact O-CB 3.39Å; V140-A144 PolarHBondContact O-N 3.47Å; V140-L229 HydrophobicContact CG1-CD1 3.76Å
141K69.2Low69.8Low123 Ų12363.2 Ų63.254%0.53531%0.313SS..Hα-helixtrans-59.1-49174.7-176.2178.9177.2179.40111.3K137 I138 Y143 A144 E145K137-K141 PolarHBondContact O-N 2.74Å; K137-K141 VanDerWaalsContact O-N 3.1Å; I138-K141 PolarHBondContact O-N 2.76Å; K141-Y143 VanDerWaalsContact C-N 3.32Å; K141-Y143 PolarHBondContact O-N 2.95Å; K141-A144 PolarHBondContact O-N 3.24Å; K141-E145 WeakPolarHBondContact CE-OE1 3.09Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 2.75Å; K141-E145 VanDerWaalsContact O-N 3.09Å
142H66.5Low70.4Confident100 Ų10061.4 Ų61.446%0.46331%0.307SS..Hα-helixtrans-65.6-35.7178.8-169.262.5000112.7I138 A139 E145 N146I138-H142 PolarHBondContact O-N 3.47Å; A139-H142 PolarHBondContact O-N 2.73Å; H142-E145 IonicContact ND1-OE2 2.95Å; H142-E145 PolarHBondContact O-N 2.69Å; H142-N146 PolarHBondContact CD2-ND2 3.26Å; H142-N146 PolarHBondContact NE2-ND2 2.98Å; H142-N146 VanDerWaalsContact NE2-ND2 3.12Å; H142-N146 PolarHBondContact O-N 2.76Å; H142-N146 PolarHBondContact O-ND2 2.74Å
143Y67.6Low71Confident48 Ų4859.9 Ų59.919%0.18830%0.3CS..Hα-helixtrans-61.5-50.2173.5-179.8-90.6000110.7Y5 E101 A121 A139 V140 K141 E145 N146 V147Y5-Y143 AromaticContact CD1-CD1 3.97Å; Y5-Y143 HydrophobicContact CD1-CD1 3.97Å; Y5-Y143 AromaticContact CD1-CE1 3.44Å; Y5-Y143 HydrophobicContact CD1-CE1 3.44Å; Y5-Y143 VanDerWaalsContact CD1-CE1 3.44Å; Y5-Y143 HydrophobicContact CD2-CD1 4.44Å; Y5-Y143 HydrophobicContact CE1-CD1 4.42Å; Y5-Y143 AromaticContact CE1-CE1 3.8Å; Y5-Y143 HydrophobicContact CE1-CE1 3.8Å; Y5-Y143 AromaticContact CG-CD1 3.98Å; Y5-Y143 HydrophobicContact CG-CD1 3.98Å; Y5-Y143 AromaticContact CG-CE1 3.94Å; Y5-Y143 HydrophobicContact CG-CE1 3.94Å; E101-Y143 HydrophobicContact CG-CE2 4.35Å; E101-Y143 WeakPolarHBondContact CG-OH 3.43Å; E101-Y143 PolarHBondContact OE1-OH 2.8Å; A121-Y143 HydrophobicContact CB-CD1 4.11Å; A121-Y143 HydrophobicContact CB-CD2 4.37Å; A121-Y143 HydrophobicContact CB-CE1 3.62Å; A121-Y143 HydrophobicContact CB-CE2 3.88Å; A121-Y143 HydrophobicContact CB-CG 4.47Å; A121-Y143 VanDerWaalsContact CB-CZ 3.48Å; A139-Y143 WeakPolarHBondContact O-CB 3.19Å; A139-Y143 PolarHBondContact O-N 2.72Å; V140-Y143 PolarHBondContact O-N 3.18Å; K141-Y143 VanDerWaalsContact C-N 3.32Å; K141-Y143 PolarHBondContact O-N 2.95Å; Y143-E145 VanDerWaalsContact C-N 3.29Å; Y143-E145 PolarHBondContact O-N 2.67Å; Y143-N146 PolarHBondContact O-N 3Å; Y143-V147 HydrophobicContact CD1-CG2 3.87Å; Y143-V147 HydrophobicContact CE1-CG2 3.45Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.45Å; Y143-V147 WeakPolarHBondContact O-CG2 3.37Å; Y143-V147 PolarHBondContact O-N 2.86Å
144A70.4Confident71.7Confident8 Ų857.4 Ų57.47%0.06628%0.282CS..Hα-helixtrans-58.9-36.717900000113Y5 V140 K141 N146 V147 A228 L229Y5-A144 HydrophobicContact CD2-CB 4.45Å; Y5-A144 HydrophobicContact CE2-CB 4.08Å; V140-A144 WeakPolarHBondContact O-CB 3.39Å; V140-A144 PolarHBondContact O-N 3.47Å; K141-A144 PolarHBondContact O-N 3.24Å; A144-N146 VanDerWaalsContact C-N 3.32Å; A144-N146 PolarHBondContact O-N 2.98Å; A144-V147 PolarHBondContact O-N 3.36Å; A144-A228 HydrophobicContact CB-CB 4.28Å; A144-L229 HydrophobicContact CB-CB 4.11Å
145E69.4Low72.6Confident106 Ų10657.2 Ų57.250%0.49528%0.276SS..Hα-helixtrans-64.8-33.2173.9-71.4167.2-175.500112.7K141 H142 Y143K141-E145 WeakPolarHBondContact CE-OE1 3.09Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 2.75Å; K141-E145 VanDerWaalsContact O-N 3.09Å; H142-E145 IonicContact ND1-OE2 2.95Å; H142-E145 PolarHBondContact O-N 2.69Å; Y143-E145 VanDerWaalsContact C-N 3.29Å; Y143-E145 PolarHBondContact O-N 2.67Å
146N69.8Low73.6Confident54 Ų5458.6 Ų58.629%0.28929%0.285SS..Hα-helixtrans-84.6-21.1-179.6-71.3-41.3000113.6H142 Y143 A144 Q148 K149 G150H142-N146 PolarHBondContact CD2-ND2 3.26Å; H142-N146 PolarHBondContact NE2-ND2 2.98Å; H142-N146 VanDerWaalsContact NE2-ND2 3.12Å; H142-N146 PolarHBondContact O-N 2.76Å; H142-N146 PolarHBondContact O-ND2 2.74Å; Y143-N146 PolarHBondContact O-N 3Å; A144-N146 VanDerWaalsContact C-N 3.32Å; A144-N146 PolarHBondContact O-N 2.98Å; N146-Q148 PolarHBondContact O-N 2.87Å; N146-K149 PolarHBondContact O-N 3.49Å; N146-G150 PolarHBondContact O-N 3.28Å; N146-G150 VanDerWaalsContact O-N 3.09Å
147V70.3Confident74.7Confident7 Ų759 Ų594%0.04229%0.287CS..Hα-helixtrans-55.5-39.9176.8161.90000111.7Y5 Q119 Y143 A144 G150 K151Y5-V147 HydrophobicContact CE1-CG2 4.11Å; Q119-V147 VanDerWaalsContact OE1-CG2 3.3Å; Y143-V147 HydrophobicContact CD1-CG2 3.87Å; Y143-V147 HydrophobicContact CE1-CG2 3.45Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.45Å; Y143-V147 WeakPolarHBondContact O-CG2 3.37Å; Y143-V147 PolarHBondContact O-N 2.86Å; A144-V147 PolarHBondContact O-N 3.36Å; V147-G150 PolarHBondContact O-N 3.21Å; V147-K151 PolarHBondContact O-N 3.09Å
148Q68.7Low75.6Confident91 Ų9153.2 Ų53.243%0.42526%0.262SS..Hα-helixtrans-65-44.3179.4-171.661.619.700112.2N146 G150 K151 E152N146-Q148 PolarHBondContact O-N 2.87Å; Q148-G150 PolarHBondContact O-N 3.03Å; Q148-K151 WeakPolarHBondContact O-CB 3.39Å; Q148-K151 PolarHBondContact O-N 3.22Å; Q148-E152 PolarHBondContact O-N 3.15Å
149K75Confident76.7Confident117 Ų11752.5 Ų52.551%0.50926%0.257SS..Hα-helixtrans-60-34.4174.6-64.6178.8-178.3170.70111.8N146 K151 E152 I153N146-K149 PolarHBondContact O-N 3.49Å; K149-K151 PolarHBondContact O-N 3.16Å; K149-E152 PolarHBondContact O-N 2.92Å; K149-I153 WeakPolarHBondContact O-CD1 3.43Å; K149-I153 WeakPolarHBondContact O-CG1 3.1Å; K149-I153 PolarHBondContact O-N 2.97Å
150G75.9Confident77.9Confident14 Ų1454.1 Ų54.114%0.14426%0.26CS..Hα-helixtrans-58.8-31.8175.400000113.5R26 N146 V147 Q148 L154R26-G150 PolarHBondContact NH2-O 3.27Å; N146-G150 PolarHBondContact O-N 3.28Å; N146-G150 VanDerWaalsContact O-N 3.09Å; V147-G150 PolarHBondContact O-N 3.21Å; Q148-G150 PolarHBondContact O-N 3.03Å; G150-L154 PolarHBondContact O-N 3.04Å
151K77.1Confident78.9Confident64 Ų6454 Ų5428%0.27826%0.258SS..Hα-helixtrans-71.7-50.1174.9-173.5-174.6170.6-179.70111.1Y12 V147 Q148 K149 I153 L154 E155Y12-K151 HydrophobicContact CE1-CG 3.67Å; Y12-K151 WeakPolarHBondContact OH-CA 3.17Å; V147-K151 PolarHBondContact O-N 3.09Å; Q148-K151 WeakPolarHBondContact O-CB 3.39Å; Q148-K151 PolarHBondContact O-N 3.22Å; K149-K151 PolarHBondContact O-N 3.16Å; K151-I153 VanDerWaalsContact C-N 3.34Å; K151-I153 PolarHBondContact O-N 3.48Å; K151-L154 WeakPolarHBondContact O-CB 2.98Å; K151-L154 PolarHBondContact O-N 3.44Å; K151-L154 VanDerWaalsContact O-N 3.07Å; K151-E155 WeakPolarHBondContact CE-OE1 3.42Å; K151-E155 IonicContact NZ-OE1 3.32Å; K151-E155 PolarHBondContact O-N 3.4Å
152E82.4Confident79.9Confident97 Ų9753.3 Ų53.345%0.45325%0.253SS..Hα-helixtrans-58-45.2179.9-66.1164.1-169.500111.6Q148 K149 L154 E155 T156Q148-E152 PolarHBondContact O-N 3.15Å; K149-E152 PolarHBondContact O-N 2.92Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 2.99Å; E152-E155 PolarHBondContact O-N 2.76Å; E152-T156 PolarHBondContact O-N 2.94Å; E152-T156 PolarHBondContact O-OG1 3.48Å
153I84Confident81.1Confident14 Ų1453.3 Ų53.37%0.07226%0.264CS..Hα-helixtrans-59.4-39.2177-66.6164.1000111.3R26 M32 M33 K149 K151 H157R26-I153 HydrophobicContact CG-CG2 4.42Å; M32-I153 HydrophobicContact CB-CD1 4.35Å; M32-I153 HydrophobicContact CB-CG1 3.92Å; M33-I153 HydrophobicContact CB-CD1 4.2Å; K149-I153 WeakPolarHBondContact O-CD1 3.43Å; K149-I153 WeakPolarHBondContact O-CG1 3.1Å; K149-I153 PolarHBondContact O-N 2.97Å; K151-I153 VanDerWaalsContact C-N 3.34Å; K151-I153 PolarHBondContact O-N 3.48Å; I153-H157 PolarHBondContact O-N 2.96Å
154L83.6Confident82.3Confident1 Ų156.1 Ų56.11%0.00528%0.279CS..Hα-helixtrans-68.4-44.1178.6-157.362.3000111Y12 V19 A22 Y23 R26 G150 K151 E152 T156 H157 I158Y12-L154 HydrophobicContact CD2-CD2 4Å; Y12-L154 HydrophobicContact CE1-CB 4.38Å; Y12-L154 HydrophobicContact CE1-CD2 3.98Å; Y12-L154 HydrophobicContact CE2-CD2 3.32Å; V19-L154 HydrophobicContact CG1-CD2 3.69Å; A22-L154 HydrophobicContact CB-CD1 4.04Å; Y23-L154 HydrophobicContact CD2-CD1 4.44Å; R26-L154 VanDerWaalsContact NH2-CB 3.34Å; G150-L154 PolarHBondContact O-N 3.04Å; K151-L154 WeakPolarHBondContact O-CB 2.98Å; K151-L154 PolarHBondContact O-N 3.44Å; K151-L154 VanDerWaalsContact O-N 3.07Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 2.99Å; L154-T156 VanDerWaalsContact C-N 3.31Å; L154-T156 PolarHBondContact O-N 3.3Å; L154-H157 PolarHBondContact O-N 2.93Å; L154-I158 HydrophobicContact CG-CD1 4.43Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 2.87Å
155E86.6Confident83.2Confident70 Ų7058.5 Ų58.533%0.32730%0.304SS..Hα-helixtrans-61.1-40177.2-71.7177.4173.600111.5Y12 K151 E152 I158 M159Y12-E155 HydrophobicContact CE1-CG 4.35Å; K151-E155 WeakPolarHBondContact CE-OE1 3.42Å; K151-E155 IonicContact NZ-OE1 3.32Å; K151-E155 PolarHBondContact O-N 3.4Å; E152-E155 PolarHBondContact O-N 2.76Å; E155-I158 PolarHBondContact O-N 2.84Å; E155-M159 WeakPolarHBondContact O-CG 3.23Å; E155-M159 PolarHBondContact O-N 3.39Å
156T88.3Confident84.2Confident57 Ų5756.4 Ų56.435%0.3530%0.296SS..Hα-helixtrans-61.1-47.7174.7-51.70000111.8M32 E152 L154 I158 M159 E160M32-T156 HydrophobicContact CE-CG2 3.45Å; M32-T156 VanDerWaalsContact CE-CG2 3.45Å; M32-T156 HydrophobicContact SD-CG2 3.83Å; E152-T156 PolarHBondContact O-N 2.94Å; E152-T156 PolarHBondContact O-OG1 3.48Å; L154-T156 VanDerWaalsContact C-N 3.31Å; L154-T156 PolarHBondContact O-N 3.3Å; T156-I158 VanDerWaalsContact C-N 3.29Å; T156-I158 PolarHBondContact O-N 2.69Å; T156-M159 WeakPolarHBondContact O-CB 3.41Å; T156-M159 PolarHBondContact O-N 3.19Å; T156-M159 VanDerWaalsContact O-N 3.1Å; T156-E160 WeakPolarHBondContact O-CG 3.3Å; T156-E160 PolarHBondContact O-N 3.19Å
157H90.1Very high84.9Confident8 Ų858.6 Ų58.64%0.03731%0.307CS..Hα-helixtrans-65.8-31177.6-67.3169.5000112.8A22 K25 I153 L154 M159 E160 L161A22-H157 HydrophobicContact CB-CB 3.89Å; A22-H157 WeakPolarHBondContact O-CB 3.29Å; A22-H157 PolarHBondContact O-ND1 2.83Å; A22-H157 VanDerWaalsContact O-ND1 3.08Å; K25-H157 HydrophobicContact CB-CB 4.33Å; I153-H157 PolarHBondContact O-N 2.96Å; L154-H157 PolarHBondContact O-N 2.93Å; H157-M159 VanDerWaalsContact C-N 3.35Å; H157-E160 IonicContact CD2-OE2 3.06Å; H157-E160 PolarHBondContact CD2-OE2 3.34Å; H157-E160 PolarHBondContact O-N 3.01Å; H157-L161 WeakPolarHBondContact O-CG 3.46Å; H157-L161 PolarHBondContact O-N 2.79Å
158I89.8Confident85.7Confident0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-64-43171.6-69169.6000110.1Y14 L18 V19 A22 L154 E155 T156 L161 R162Y14-I158 HydrophobicContact CD1-CG2 3.9Å; Y14-I158 HydrophobicContact CD2-CD1 3.58Å; Y14-I158 HydrophobicContact CD2-CG2 4.36Å; Y14-I158 HydrophobicContact CE1-CG2 3.83Å; Y14-I158 HydrophobicContact CE2-CD1 4.02Å; Y14-I158 HydrophobicContact CE2-CG2 4.3Å; Y14-I158 HydrophobicContact CG-CD1 4.02Å; Y14-I158 HydrophobicContact CG-CG2 4.18Å; L18-I158 HydrophobicContact CD2-CG2 4.04Å; L18-I158 HydrophobicContact CG-CG2 4.45Å; V19-I158 HydrophobicContact CG2-CD1 4.23Å; A22-I158 HydrophobicContact CB-CB 4.41Å; A22-I158 HydrophobicContact CB-CD1 4.44Å; A22-I158 HydrophobicContact CB-CG1 3.42Å; A22-I158 VanDerWaalsContact CB-CG1 3.42Å; L154-I158 HydrophobicContact CG-CD1 4.43Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 2.87Å; E155-I158 PolarHBondContact O-N 2.84Å; T156-I158 VanDerWaalsContact C-N 3.29Å; T156-I158 PolarHBondContact O-N 2.69Å; I158-L161 PolarHBondContact O-N 3.01Å; I158-R162 PolarHBondContact O-N 3.49Å; I158-R162 VanDerWaalsContact O-N 3.11Å
159M90.2Very high86.4Confident85 Ų8562.2 Ų62.242%0.41932%0.324SS..Hα-helixtrans-66.1-37.4176.2-65.5-60.2135.600112.4Y14 E155 T156 H157 R162 S163Y14-M159 HydrophobicContact CE1-CE 4.24Å; Y14-M159 WeakPolarHBondContact OH-CE 3.16Å; E155-M159 WeakPolarHBondContact O-CG 3.23Å; E155-M159 PolarHBondContact O-N 3.39Å; T156-M159 WeakPolarHBondContact O-CB 3.41Å; T156-M159 PolarHBondContact O-N 3.19Å; T156-M159 VanDerWaalsContact O-N 3.1Å; H157-M159 VanDerWaalsContact C-N 3.35Å; M159-R162 PolarHBondContact O-N 2.75Å; M159-S163 PolarHBondContact O-N 2.62Å
160E90.9Very high86.7Confident65 Ų6561.1 Ų61.130%0.30433%0.329SS..Hα-helixtrans-61.4-46.7173.5-72.9172-174.300111.3M32 T156 H157 R162 S163 E164M32-E160 WeakPolarHBondContact CE-OE1 3.38Å; T156-E160 WeakPolarHBondContact O-CG 3.3Å; T156-E160 PolarHBondContact O-N 3.19Å; H157-E160 IonicContact CD2-OE2 3.06Å; H157-E160 PolarHBondContact CD2-OE2 3.34Å; H157-E160 PolarHBondContact O-N 3.01Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 2.84Å; E160-S163 WeakPolarHBondContact O-CA 3.44Å; E160-S163 WeakPolarHBondContact O-CB 3.4Å; E160-S163 PolarHBondContact O-N 3.47Å; E160-S163 PolarHBondContact O-OG 3.5Å; E160-E164 WeakPolarHBondContact O-CG 3.36Å; E160-E164 PolarHBondContact O-N 3.18Å
161L91.5Very high86.8Confident5 Ų563.6 Ų63.63%0.02634%0.343CS..Hα-helixtrans-57.8-42.5175.6-74.6172.9000112.2L18 A21 A22 H157 I158 S163 E164 G165 I166L18-L161 HydrophobicContact CD1-CB 4.35Å; L18-L161 HydrophobicContact CD1-CD1 4.03Å; A21-L161 HydrophobicContact CB-CD1 3.82Å; A22-L161 HydrophobicContact CB-CD1 3.88Å; H157-L161 WeakPolarHBondContact O-CG 3.46Å; H157-L161 PolarHBondContact O-N 2.79Å; I158-L161 PolarHBondContact O-N 3.01Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-S163 PolarHBondContact O-N 2.77Å; L161-E164 CarbonylContact O-C 3.4Å; L161-E164 WeakPolarHBondContact O-CB 3.15Å; L161-E164 PolarHBondContact O-N 3.29Å; L161-E164 VanDerWaalsContact O-N 3.15Å; L161-G165 PolarHBondContact O-N 2.98Å; L161-I166 HydrophobicContact CB-CB 4.29Å; L161-I166 HydrophobicContact CD2-CB 4.45Å; L161-I166 HydrophobicContact CD2-CD1 3.8Å; L161-I166 WeakPolarHBondContact O-CA 3.15Å; L161-I166 WeakPolarHBondContact O-CB 3.19Å; L161-I166 PolarHBondContact O-N 3.36Å
162R90.1Very high86.5Confident109 Ų10966 Ų6641%0.41135%0.353SS..Hα-helixtrans-62.5-40173.8-70.9-172.8169.6-176.8-5.3112.5I158 M159 E160 E164 G165 D167I158-R162 PolarHBondContact O-N 3.49Å; I158-R162 VanDerWaalsContact O-N 3.11Å; M159-R162 PolarHBondContact O-N 2.75Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 2.84Å; R162-E164 PolarHBondContact O-N 3.04Å; R162-G165 WeakPolarHBondContact O-CA 3.45Å; R162-G165 PolarHBondContact O-N 3.47Å; R162-D167 WeakPolarHBondContact CA-OD1 3.3Å; R162-D167 WeakPolarHBondContact CG-OD1 3.43Å
163S90.9Very high85.8Confident100 Ų10069.5 Ų69.570%0.69937%0.367SS*.Hα-helixtrans-65.5-27.2175.878.70000112.9M159 E160 L161 G165M159-S163 PolarHBondContact O-N 2.62Å; E160-S163 WeakPolarHBondContact O-CA 3.44Å; E160-S163 WeakPolarHBondContact O-CB 3.4Å; E160-S163 PolarHBondContact O-N 3.47Å; E160-S163 PolarHBondContact O-OG 3.5Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-S163 PolarHBondContact O-N 2.77Å; S163-G165 PolarHBondContact O-N 2.99Å
164E92.8Very high84.3Confident107 Ų10772.7 Ų72.750%0.539%0.39SS..THydrogen-bonded Turntrans-78.8-1.7171.2-65.5171.9-166.700112.8K25 E160 L161 R162 I166K25-E164 IonicContact NZ-OE1 3.2Å; K25-E164 PolarHBondContact NZ-OE1 3.48Å; K25-E164 IonicContact NZ-OE2 3.02Å; K25-E164 PolarHBondContact NZ-OE2 3.25Å; E160-E164 WeakPolarHBondContact O-CG 3.36Å; E160-E164 PolarHBondContact O-N 3.18Å; L161-E164 CarbonylContact O-C 3.4Å; L161-E164 WeakPolarHBondContact O-CB 3.15Å; L161-E164 PolarHBondContact O-N 3.29Å; L161-E164 VanDerWaalsContact O-N 3.15Å; R162-E164 PolarHBondContact O-N 3.04Å; E164-I166 HydrophobicContact CB-CD1 4.39Å; E164-I166 HydrophobicContact CB-CG1 4.48Å
165G89.8Confident83Confident58 Ų5881.3 Ų81.360%0.59843%0.43SS*.THydrogen-bonded Turntrans83.812.3-177.900000114.6L161 R162 S163 D167L161-G165 PolarHBondContact O-N 2.98Å; R162-G165 WeakPolarHBondContact O-CA 3.45Å; R162-G165 PolarHBondContact O-N 3.47Å; S163-G165 PolarHBondContact O-N 2.99Å; G165-D167 PolarHBondContact O-N 3.12Å
166I89.6Confident81.3Confident62 Ų6281.9 Ų81.932%0.31844%0.438SS..  trans-96.381.8179.2-53.5169.7000108.6L18 L161 E164 I169L18-I166 HydrophobicContact CD1-CG2 4.48Å; L161-I166 HydrophobicContact CB-CB 4.29Å; L161-I166 HydrophobicContact CD2-CB 4.45Å; L161-I166 HydrophobicContact CD2-CD1 3.8Å; L161-I166 WeakPolarHBondContact O-CA 3.15Å; L161-I166 WeakPolarHBondContact O-CB 3.19Å; L161-I166 PolarHBondContact O-N 3.36Å; E164-I166 HydrophobicContact CB-CD1 4.39Å; E164-I166 HydrophobicContact CB-CG1 4.48Å; I166-I169 HydrophobicContact CG2-CD1 4.06Å; I166-I169 HydrophobicContact CG2-CG1 3.86Å
167D84.4Confident79Confident100 Ų10083.4 Ų83.454%0.53546%0.457SS..  trans-92.2-24.3179.7-62.6-32.6000113.1R162 G165R162-D167 WeakPolarHBondContact CA-OD1 3.3Å; R162-D167 WeakPolarHBondContact CG-OD1 3.43Å; G165-D167 PolarHBondContact O-N 3.12Å
168H87Confident76.5Confident123 Ų12392.5 Ų92.557%0.56950%0.499SS*.  trans-143.1133.8-177-179.270.1000110.8
169I84.7Confident74Confident50 Ų5098 Ų9826%0.25653%0.532SS..  trans-120.8124.2172.4-59.1176.7000106.2E17 L18 A21 I166E17-I169 HydrophobicContact CB-CB 3.73Å; E17-I169 HydrophobicContact CB-CG2 3.8Å; E17-I169 HydrophobicContact CG-CG2 4.44Å; L18-I169 HydrophobicContact CD1-CD1 4.41Å; A21-I169 HydrophobicContact CB-CD1 3.43Å; A21-I169 VanDerWaalsContact CB-CD1 3.43Å; I166-I169 HydrophobicContact CG2-CD1 4.06Å; I166-I169 HydrophobicContact CG2-CG1 3.86Å
170P81.1Confident71.7Confident95 Ų9599.1 Ų99.162%0.61755%0.549SS*.PPolyproline II helixtrans-65136.3-17524.7-32.8000111.1
171P76.9Confident69.3Low65 Ų65104.2 Ų104.242%0.42257%0.57SS.*PPolyproline II helixtrans-60.1146.4174.3-23.633.2000112.1E17 K173E17-P171 WeakPolarHBondContact OE1-CA 3.4Å; E17-P171 WeakPolarHBondContact OE1-CB 3.02Å; P171-K173 PolarHBondContact O-N 3.03Å
172F71Confident66.9Low115 Ų115108.3 Ų108.350%0.50461%0.605SS.*PPolyproline II helixtrans-61132.4173.2174.3-98.6000110.7D49 C174D49-F172 WeakPolarHBondContact O-CE2 2.91Å; D49-F172 WeakPolarHBondContact O-CZ 3.08Å; F172-C174 HydrophobicContact CE1-CB 3.94Å; F172-C174 HydrophobicContact CZ-CB 4.42Å
173K68.7Low64.7Low171 Ų171107.2 Ų107.274%0.74361%0.614SS**  trans-117.4119.9174.6-68.8-177.9-179.5177.50109P171 E175P171-K173 PolarHBondContact O-N 3.03Å; K173-E175 PolarHBondContact O-N 3.33Å
174C52.2Low62.3Low80 Ų80111.1 Ų111.154%0.54162%0.621SS.*  trans-76.3110.1175.5-167.20000109.5F172F172-C174 HydrophobicContact CE1-CB 3.94Å; F172-C174 HydrophobicContact CZ-CB 4.42Å
175E57.1Low60Low183 Ų183107.6 Ų107.686%0.85561%0.611SS**  trans-92.1-7.4178.2-66-172168.100113.2K173K173-E175 PolarHBondContact O-N 3.33Å
176V49.1Very low57.7Low82 Ų82110.7 Ų110.750%0.49762%0.62SS.*SBendtrans-101.3117.4-171.7-167.60000111.3D49 E178D49-V176 HydrophobicContact CB-CG2 4.33Å; V176-E178 PolarHBondContact O-N 3.29Å
177A40.7Very low55.6Low89 Ų89111.6 Ų111.674%0.73662%0.62SS**  trans-64.6118.1173.100000110.6T179A177-T179 PolarHBondContact O-N 3.11Å
178E38.4Very low53.5Low198 Ų198110.9 Ų110.993%0.92561%0.61SS**  trans1.872.6166.2-64-177.8164.100116.6V176V176-E178 PolarHBondContact O-N 3.29Å
179T37.2Very low51.2Low115 Ų115115.6 Ų115.671%0.70662%0.623SS**  trans-89.1117.4164.940.90000109.5A177 F181A177-T179 PolarHBondContact O-N 3.11Å; T179-F181 PolarHBondContact O-N 3.12Å
180S41.8Very low49.2Very low110 Ų110117 Ų11777%0.76964%0.637SS**  trans-33.5123.2179.955.50000114.9A182S180-A182 PolarHBondContact O-N 3.19Å
181F40.1Very low47.2Very low171 Ų171114.6 Ų114.675%0.7562%0.617SS**  trans-46.2104.3173.3-90.9-101.7000112.4T179T179-F181 PolarHBondContact O-N 3.12Å
182A40.5Very low45.2Very low91 Ų91120 Ų12075%0.75263%0.629SS**  trans-84.3122.9179.500000111.5S180 E184S180-A182 PolarHBondContact O-N 3.19Å; A182-E184 PolarHBondContact O-N 3.27Å
183S43.9Very low43.8Very low87 Ų87119.2 Ų119.261%0.60863%0.633SS**  trans-88.525.8-161.459.90000116.7
184E41.6Very low42.6Very low181 Ų181113.8 Ų113.885%0.84661%0.609SS**  trans-118.49.4-163-71.9-167.1163.900117.7A182A182-E184 PolarHBondContact O-N 3.27Å
185A43.5Very low41.9Very low34 Ų34111.5 Ų111.528%0.28160%0.595SS.*  trans-87.6135.3176.200000112.9W187 Y188A185-W187 HydrophobicContact CB-CD2 4.46Å; A185-W187 HydrophobicContact CB-CG 4.21Å; A185-W187 HydrophobicContact CB-CZ2 4.34Å; A185-W187 PolarHBondContact O-N 3.2Å; A185-Y188 WeakPolarHBondContact O-CB 3.34Å; A185-Y188 PolarHBondContact O-N 3.3Å
186P43.1Very low41Very low122 Ų122107.1 Ų107.179%0.79258%0.577SS**THydrogen-bonded Turntrans-55.5-27.8-179.2-27.333.8000115Y188P186-Y188 PolarHBondContact O-N 3.5Å
187W44.4Very low40.6Very low82 Ų82107.4 Ų107.431%0.31157%0.572SS.*Hα-helixtrans-67.6-21.7175.463.3-93.5000112.7Y45 A185 R189 S190 F191Y45-W187 HydrophobicContact CD1-CH2 4.24Å; Y45-W187 HydrophobicContact CD1-CZ2 4.32Å; Y45-W187 HydrophobicContact CD1-CZ3 4.36Å; Y45-W187 HydrophobicContact CD2-CD2 4.42Å; Y45-W187 AromaticContact CD2-CE2 3.9Å; Y45-W187 HydrophobicContact CD2-CZ2 4.25Å; Y45-W187 AromaticContact CD2-NE1 3.7Å; Y45-W187 AromaticContact CE1-CH2 3.55Å; Y45-W187 HydrophobicContact CE1-CH2 3.55Å; Y45-W187 AromaticContact CE1-CZ2 3.6Å; Y45-W187 HydrophobicContact CE1-CZ2 3.6Å; Y45-W187 HydrophobicContact CE1-CZ3 4.1Å; Y45-W187 HydrophobicContact CE2-CD2 4.44Å; Y45-W187 AromaticContact CE2-CE2 3.52Å; Y45-W187 HydrophobicContact CE2-CH2 4.32Å; Y45-W187 AromaticContact CE2-CZ2 3.51Å; Y45-W187 HydrophobicContact CE2-CZ2 3.51Å; Y45-W187 AromaticContact CE2-NE1 3.41Å; Y45-W187 AromaticContact CZ-CE2 3.66Å; Y45-W187 AromaticContact CZ-CH2 3.61Å; Y45-W187 AromaticContact CZ-CZ2 3.14Å; Y45-W187 WeakPolarHBondContact OH-CZ2 3.43Å; A185-W187 HydrophobicContact CB-CD2 4.46Å; A185-W187 HydrophobicContact CB-CG 4.21Å; A185-W187 HydrophobicContact CB-CZ2 4.34Å; A185-W187 PolarHBondContact O-N 3.2Å; W187-R189 PolarHBondContact O-N 3.45Å; W187-R189 VanDerWaalsContact O-N 3.16Å; W187-S190 PolarHBondContact O-N 2.97Å; W187-S190 VanDerWaalsContact O-N 3.14Å; W187-F191 HydrophobicContact CE3-CB 3.71Å; W187-F191 HydrophobicContact CE3-CD1 4.18Å; W187-F191 AromaticContact CE3-CD2 3.84Å; W187-F191 HydrophobicContact CE3-CD2 3.84Å; W187-F191 HydrophobicContact CE3-CE2 4.48Å; W187-F191 AromaticContact CE3-CG 3.68Å; W187-F191 HydrophobicContact CE3-CG 3.68Å; W187-F191 HydrophobicContact CH2-CD1 4.44Å; W187-F191 HydrophobicContact CZ3-CB 3.92Å; W187-F191 AromaticContact CZ3-CD1 3.49Å; W187-F191 HydrophobicContact CZ3-CD1 3.49Å; W187-F191 VanDerWaalsContact CZ3-CD1 3.49Å; W187-F191 AromaticContact CZ3-CD2 3.79Å; W187-F191 HydrophobicContact CZ3-CD2 3.79Å; W187-F191 AromaticContact CZ3-CE1 3.8Å; W187-F191 HydrophobicContact CZ3-CE1 3.8Å; W187-F191 HydrophobicContact CZ3-CE2 4.12Å; W187-F191 AromaticContact CZ3-CG 3.48Å; W187-F191 HydrophobicContact CZ3-CG 3.48Å; W187-F191 VanDerWaalsContact CZ3-CG 3.48Å; W187-F191 HydrophobicContact CZ3-CZ 4.13Å; W187-F191 VanDerWaalsContact O-CB 3.3Å; W187-F191 WeakPolarHBondContact O-CB 3.11Å; W187-F191 PolarHBondContact O-N 2.8Å
188Y40.5Very low40.4Very low84 Ų84105.1 Ų105.133%0.32955%0.55SS..Hα-helixtrans-61.4-25-179.9-148.6-99.3000112.9A185 P186 R192A185-Y188 WeakPolarHBondContact O-CB 3.34Å; A185-Y188 PolarHBondContact O-N 3.3Å; P186-Y188 PolarHBondContact O-N 3.5Å; Y188-R192 WeakPolarHBondContact O-CB 3.45Å; Y188-R192 PolarHBondContact O-N 2.76Å
189R39.5Very low40.4Very low223 Ų223102.8 Ų102.884%0.84253%0.534SS*.Hα-helixtrans-73.5-43174-77.1-172.4177.7-177.60.8113W187 R192W187-R189 PolarHBondContact O-N 3.45Å; W187-R189 VanDerWaalsContact O-N 3.16Å; R189-R192 PolarHBondContact O-N 2.85Å
190S42.4Very low40.5Very low78 Ų78101.6 Ų101.655%0.54552%0.523SS..Hα-helixtrans-69.3-39.9172-73.50000110.1W187 R192 V193 Y194W187-S190 PolarHBondContact O-N 2.97Å; W187-S190 VanDerWaalsContact O-N 3.14Å; S190-R192 VanDerWaalsContact C-N 3.31Å; S190-R192 PolarHBondContact O-N 2.79Å; S190-V193 PolarHBondContact O-N 2.88Å; S190-V193 VanDerWaalsContact O-N 3.07Å; S190-Y194 WeakPolarHBondContact O-CD2 3.42Å; S190-Y194 PolarHBondContact O-N 3.24Å
191F38.6Very low40.2Very low45 Ų4598.9 Ų98.920%0.19750%0.503CS..Hα-helixtrans-64.1-30.1175.5-144.5-114000112.5V54 W187 V193 Y194 A195V54-F191 HydrophobicContact CG2-CE2 3.82Å; V54-F191 HydrophobicContact CG2-CZ 4.15Å; W187-F191 HydrophobicContact CE3-CB 3.71Å; W187-F191 HydrophobicContact CE3-CD1 4.18Å; W187-F191 AromaticContact CE3-CD2 3.84Å; W187-F191 HydrophobicContact CE3-CD2 3.84Å; W187-F191 HydrophobicContact CE3-CE2 4.48Å; W187-F191 AromaticContact CE3-CG 3.68Å; W187-F191 HydrophobicContact CE3-CG 3.68Å; W187-F191 HydrophobicContact CH2-CD1 4.44Å; W187-F191 HydrophobicContact CZ3-CB 3.92Å; W187-F191 AromaticContact CZ3-CD1 3.49Å; W187-F191 HydrophobicContact CZ3-CD1 3.49Å; W187-F191 VanDerWaalsContact CZ3-CD1 3.49Å; W187-F191 AromaticContact CZ3-CD2 3.79Å; W187-F191 HydrophobicContact CZ3-CD2 3.79Å; W187-F191 AromaticContact CZ3-CE1 3.8Å; W187-F191 HydrophobicContact CZ3-CE1 3.8Å; W187-F191 HydrophobicContact CZ3-CE2 4.12Å; W187-F191 AromaticContact CZ3-CG 3.48Å; W187-F191 HydrophobicContact CZ3-CG 3.48Å; W187-F191 VanDerWaalsContact CZ3-CG 3.48Å; W187-F191 HydrophobicContact CZ3-CZ 4.13Å; W187-F191 VanDerWaalsContact O-CB 3.3Å; W187-F191 WeakPolarHBondContact O-CB 3.11Å; W187-F191 PolarHBondContact O-N 2.8Å; F191-V193 PolarHBondContact O-N 3.47Å; F191-V193 VanDerWaalsContact O-N 3.08Å; F191-Y194 CarbonylContact O-C 2.93Å; F191-Y194 PolarHBondContact O-N 2.74Å; F191-A195 HydrophobicContact CD1-CB 3.23Å; F191-A195 HydrophobicContact CE1-CB 3.36Å; F191-A195 HydrophobicContact CG-CB 4.02Å; F191-A195 HydrophobicContact CZ-CB 4.18Å; F191-A195 WeakPolarHBondContact O-CA 3.27Å; F191-A195 WeakPolarHBondContact O-CB 3.29Å; F191-A195 PolarHBondContact O-N 2.94Å
192R35.7Very low39.9Very low179 Ų17996.8 Ų96.868%0.67549%0.494SS*.Hα-helixtrans-60.1-22.8172.8-136.7-176.5-179.9-170.70.9112.7Y188 R189 S190 L196Y188-R192 WeakPolarHBondContact O-CB 3.45Å; Y188-R192 PolarHBondContact O-N 2.76Å; R189-R192 PolarHBondContact O-N 2.85Å; S190-R192 VanDerWaalsContact C-N 3.31Å; S190-R192 PolarHBondContact O-N 2.79Å; R192-L196 WeakPolarHBondContact O-CB 3.35Å
193V41.5Very low39.6Very low98 Ų9893.6 Ų93.659%0.59447%0.466SS*.Hα-helixtrans-85.9-37.7169.9-176.20000110.7S190 F191 F197S190-V193 PolarHBondContact O-N 2.88Å; S190-V193 VanDerWaalsContact O-N 3.07Å; F191-V193 PolarHBondContact O-N 3.47Å; F191-V193 VanDerWaalsContact O-N 3.08Å; V193-F197 WeakPolarHBondContact O-CB 3.25Å; V193-F197 PolarHBondContact O-N 3.01Å
194Y41.8Very low39.2Very low58 Ų5894.2 Ų94.223%0.22746%0.462CS..Hα-helixtrans-78.8-55.3-178.6-66.3-73.8000113.9K87 S190 F191 F197 C198K87-Y194 HydrophobicContact CD-CD1 4.45Å; K87-Y194 HydrophobicContact CD-CE1 4.21Å; S190-Y194 WeakPolarHBondContact O-CD2 3.42Å; S190-Y194 PolarHBondContact O-N 3.24Å; F191-Y194 CarbonylContact O-C 2.93Å; F191-Y194 PolarHBondContact O-N 2.74Å; Y194-F197 CarbonylContact O-C 3.53Å; Y194-F197 PolarHBondContact O-N 2.96Å; Y194-C198 WeakPolarHBondContact O-CB 3.23Å; Y194-C198 PolarHBondContact O-N 2.92Å; Y194-C198 PolarHBondContact O-SG 2.9Å
195A37.7Very low39Very low31 Ų3187 Ų8726%0.25643%0.433SS..Hα-helixtrans-67.6-34.1172.300000114F191 F197 C198 Y199F191-A195 HydrophobicContact CD1-CB 3.23Å; F191-A195 HydrophobicContact CE1-CB 3.36Å; F191-A195 HydrophobicContact CG-CB 4.02Å; F191-A195 HydrophobicContact CZ-CB 4.18Å; F191-A195 WeakPolarHBondContact O-CA 3.27Å; F191-A195 WeakPolarHBondContact O-CB 3.29Å; F191-A195 PolarHBondContact O-N 2.94Å; A195-F197 VanDerWaalsContact C-N 3.25Å; A195-F197 PolarHBondContact O-N 3.35Å; A195-C198 PolarHBondContact O-N 3.24Å; A195-Y199 WeakPolarHBondContact O-CA 3.41Å; A195-Y199 WeakPolarHBondContact O-CB 3.33Å; A195-Y199 PolarHBondContact O-N 2.75Å
196L38.7Very low38.5Very low92 Ų9290.7 Ų90.748%0.48245%0.448SS..Hα-helixtrans-71.1-28.4172.4-14998000110.4R192 N200R192-L196 WeakPolarHBondContact O-CB 3.35Å; L196-N200 WeakPolarHBondContact O-CA 3.49Å; L196-N200 WeakPolarHBondContact O-CB 3.27Å; L196-N200 PolarHBondContact O-N 3.31Å; L196-N200 PolarHBondContact O-ND2 2.97Å
197F40.2Very low38.2Very low88 Ų8895.1 Ų95.139%0.38645%0.449SS..Hα-helixtrans-75.3-38.3170-173.1-93.1000112.5I102 V193 Y194 A195 N200 C201I102-F197 HydrophobicContact CD1-CE1 3.96Å; I102-F197 HydrophobicContact CD1-CZ 4.37Å; V193-F197 WeakPolarHBondContact O-CB 3.25Å; V193-F197 PolarHBondContact O-N 3.01Å; Y194-F197 CarbonylContact O-C 3.53Å; Y194-F197 PolarHBondContact O-N 2.96Å; A195-F197 VanDerWaalsContact C-N 3.25Å; A195-F197 PolarHBondContact O-N 3.35Å; F197-N200 CarbonylContact O-C 3.59Å; F197-C201 VanDerWaalsContact CE1-SG 3.51Å; F197-C201 WeakPolarHBondContact O-CA 3.37Å; F197-C201 WeakPolarHBondContact O-CB 3.16Å; F197-C201 PolarHBondContact O-N 3.37Å; F197-C201 PolarHBondContact O-SG 3.31Å; F197-C201 VanDerWaalsContact O-SG 3.32Å
198C36.8Very low37.8Very low40 Ų4095.4 Ų95.427%0.2746%0.456SS..Hα-helixtrans-72.9-40.7176.5-64.90000111V85 Y194 A195 C201 F202V85-C198 HydrophobicContact CG2-CB 4.34Å; V85-C198 VanDerWaalsContact CG2-SG 3.54Å; Y194-C198 WeakPolarHBondContact O-CB 3.23Å; Y194-C198 PolarHBondContact O-N 2.92Å; Y194-C198 PolarHBondContact O-SG 2.9Å; A195-C198 PolarHBondContact O-N 3.24Å; C198-C201 CarbonylContact O-C 3.51Å; C198-C201 PolarHBondContact O-N 3.22Å; C198-F202 WeakPolarHBondContact O-CA 3.42Å; C198-F202 WeakPolarHBondContact O-CB 3.25Å; C198-F202 PolarHBondContact O-N 2.76Å
199Y38.1Very low37.6Very low149 Ų14998.9 Ų98.958%0.58447%0.473SS*.Hα-helixtrans-67.4-40.8170.4-173-99.1000110.4A195 F202 C203A195-Y199 WeakPolarHBondContact O-CA 3.41Å; A195-Y199 WeakPolarHBondContact O-CB 3.33Å; A195-Y199 PolarHBondContact O-N 2.75Å; Y199-F202 PolarHBondContact O-N 2.73Å; Y199-C203 WeakPolarHBondContact CE1-SG 3.47Å; Y199-C203 WeakPolarHBondContact O-CA 3.4Å; Y199-C203 WeakPolarHBondContact O-CB 3.44Å; Y199-C203 PolarHBondContact O-N 3.15Å; Y199-C203 PolarHBondContact O-SG 2.93Å
200N39.2Very low37.5Very low90 Ų9092.5 Ų92.548%0.48145%0.454SS..Hα-helixtrans-68.1-35.2170.7-76.7-31.4000111.5L196 F197 L204L196-N200 WeakPolarHBondContact O-CA 3.49Å; L196-N200 WeakPolarHBondContact O-CB 3.27Å; L196-N200 PolarHBondContact O-N 3.31Å; L196-N200 PolarHBondContact O-ND2 2.97Å; F197-N200 CarbonylContact O-C 3.59Å; N200-L204 VanDerWaalsContact O-CA 3.32Å; N200-L204 WeakPolarHBondContact O-CA 3.35Å; N200-L204 WeakPolarHBondContact O-CB 3.46Å; N200-L204 PolarHBondContact O-N 3.19Å
201C36.9Very low37.7Very low53 Ų5394.9 Ų94.936%0.35847%0.465SS..Hα-helixtrans-70.5-36.9174.4-83.90000111.6F197 C198 A205F197-C201 VanDerWaalsContact CE1-SG 3.51Å; F197-C201 WeakPolarHBondContact O-CA 3.37Å; F197-C201 WeakPolarHBondContact O-CB 3.16Å; F197-C201 PolarHBondContact O-N 3.37Å; F197-C201 PolarHBondContact O-SG 3.31Å; F197-C201 VanDerWaalsContact O-SG 3.32Å; C198-C201 CarbonylContact O-C 3.51Å; C198-C201 PolarHBondContact O-N 3.22Å; C201-A205 WeakPolarHBondContact O-CA 3.22Å; C201-A205 WeakPolarHBondContact O-CB 3.43Å; C201-A205 PolarHBondContact O-N 3.48Å
202F34.1Very low38.6Very low127 Ų12795 Ų9556%0.55747%0.471SS*.Hα-helixtrans-72.3-47176.6-179-104.2000110.4C198 Y199 A205 L206C198-F202 WeakPolarHBondContact O-CA 3.42Å; C198-F202 WeakPolarHBondContact O-CB 3.25Å; C198-F202 PolarHBondContact O-N 2.76Å; Y199-F202 PolarHBondContact O-N 2.73Å; F202-A205 CarbonylContact O-C 3.53Å; F202-A205 PolarHBondContact O-N 3.09Å; F202-L206 HydrophobicContact CD1-CD1 3.55Å; F202-L206 HydrophobicContact CE1-CD1 3.22Å; F202-L206 HydrophobicContact CE1-CG 4.48Å; F202-L206 HydrophobicContact CE2-CD1 4.32Å; F202-L206 HydrophobicContact CG-CD1 4.24Å; F202-L206 HydrophobicContact CZ-CD1 3.65Å; F202-L206 WeakPolarHBondContact O-CB 3.19Å; F202-L206 PolarHBondContact O-N 3.3Å
203C33.8Very low40.3Very low24 Ų2489.4 Ų89.416%0.16245%0.452CS..Hα-helixtrans-66.9-33.7171.6-69.30000112.4Y199 L206 R207Y199-C203 WeakPolarHBondContact CE1-SG 3.47Å; Y199-C203 WeakPolarHBondContact O-CA 3.4Å; Y199-C203 WeakPolarHBondContact O-CB 3.44Å; Y199-C203 PolarHBondContact O-N 3.15Å; Y199-C203 PolarHBondContact O-SG 2.93Å; C203-L206 PolarHBondContact O-N 2.67Å; C203-R207 WeakPolarHBondContact O-CB 3.16Å; C203-R207 WeakPolarHBondContact O-CG 3.45Å; C203-R207 PolarHBondContact O-N 2.75Å
204L35.9Very low42Very low100 Ų10085.3 Ų85.352%0.52443%0.427SS..Hα-helixtrans-73.1-34.2172.5-169.175.1000110N200 R207 L208N200-L204 VanDerWaalsContact O-CA 3.32Å; N200-L204 WeakPolarHBondContact O-CA 3.35Å; N200-L204 WeakPolarHBondContact O-CB 3.46Å; N200-L204 PolarHBondContact O-N 3.19Å; L204-R207 PolarHBondContact O-N 3.33Å; L204-L208 HydrophobicContact CD2-CD1 4.35Å; L204-L208 HydrophobicContact CG-CD1 3.89Å; L204-L208 HydrophobicContact CG-CG 4.36Å; L204-L208 WeakPolarHBondContact O-CA 3.31Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 WeakPolarHBondContact O-CD1 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.37Å; L204-L208 PolarHBondContact O-N 3.26Å
205A36Very low43.7Very low30 Ų3085.9 Ų85.925%0.24843%0.431CS..Hα-helixtrans-71.6-28.317100000112.9C201 F202 L208C201-A205 WeakPolarHBondContact O-CA 3.22Å; C201-A205 WeakPolarHBondContact O-CB 3.43Å; C201-A205 PolarHBondContact O-N 3.48Å; F202-A205 CarbonylContact O-C 3.53Å; F202-A205 PolarHBondContact O-N 3.09Å; A205-L208 CarbonylContact O-C 3.6Å
206L33.1Very low45.7Very low111 Ų11185.7 Ų85.758%0.58143%0.428SS*.Hα-helixtrans-77.4-38170.2-87.3155000111.6F202 C203F202-L206 HydrophobicContact CD1-CD1 3.55Å; F202-L206 HydrophobicContact CE1-CD1 3.22Å; F202-L206 HydrophobicContact CE1-CG 4.48Å; F202-L206 HydrophobicContact CE2-CD1 4.32Å; F202-L206 HydrophobicContact CG-CD1 4.24Å; F202-L206 HydrophobicContact CZ-CD1 3.65Å; F202-L206 WeakPolarHBondContact O-CB 3.19Å; F202-L206 PolarHBondContact O-N 3.3Å; C203-L206 PolarHBondContact O-N 2.67Å
207R36.4Very low47.5Very low216 Ų21686.3 Ų86.382%0.81543%0.429SS*.Hα-helixtrans-73.7-39176.8-79178.1-178.3-176.51.8111.9C203 L204 K209C203-R207 WeakPolarHBondContact O-CB 3.16Å; C203-R207 WeakPolarHBondContact O-CG 3.45Å; C203-R207 PolarHBondContact O-N 2.75Å; L204-R207 PolarHBondContact O-N 3.33Å; R207-K209 PolarHBondContact O-N 3.03Å
208L37Very low49.6Very low88 Ų8886 Ų8646%0.46143%0.426SS..SBendtrans-76.276.8163.7-68.1165.3000106.5L204 A205 M210L204-L208 HydrophobicContact CD2-CD1 4.35Å; L204-L208 HydrophobicContact CG-CD1 3.89Å; L204-L208 HydrophobicContact CG-CG 4.36Å; L204-L208 WeakPolarHBondContact O-CA 3.31Å; L204-L208 WeakPolarHBondContact O-CB 3.43Å; L204-L208 WeakPolarHBondContact O-CD1 3.29Å; L204-L208 WeakPolarHBondContact O-CG 3.37Å; L204-L208 PolarHBondContact O-N 3.26Å; A205-L208 CarbonylContact O-C 3.6Å; L208-M210 PolarHBondContact O-N 3.29Å
209K36.7Very low51.7Low156 Ų15684.1 Ų84.168%0.67841%0.413SS*.  trans-23.7112.4169.2-77.1173.9165.3176.90109.3R207 T211R207-K209 PolarHBondContact O-N 3.03Å; K209-T211 HydrophobicContact CB-CG2 4.37Å; K209-T211 VanDerWaalsContact CB-OG1 3.28Å; K209-T211 WeakPolarHBondContact CB-OG1 3.32Å; K209-T211 PolarHBondContact O-N 3.28Å; K209-T211 PolarHBondContact O-OG1 2.9Å
210M37.6Very low53.7Low90 Ų9083 Ų8344%0.44341%0.412SS..SBendtrans-51.8-10.9-176.2-80.5-168.298.900113.9L208 S212L208-M210 PolarHBondContact O-N 3.29Å; M210-S212 PolarHBondContact O-N 2.77Å
211T46.2Very low55.6Low128 Ų12886.5 Ų86.579%0.78542%0.419SS*.THydrogen-bonded Turntrans-53.91317458.30000116.7K209K209-T211 HydrophobicContact CB-CG2 4.37Å; K209-T211 VanDerWaalsContact CB-OG1 3.28Å; K209-T211 WeakPolarHBondContact CB-OG1 3.32Å; K209-T211 PolarHBondContact O-N 3.28Å; K209-T211 PolarHBondContact O-OG1 2.9Å
212S58Low57.7Low46 Ų4687.9 Ų87.932%0.32242%0.419SS..THydrogen-bonded Turntrans-137.8-4.2-179.177.60000116.2M210 L214 R238M210-S212 PolarHBondContact O-N 2.77Å; S212-L214 PolarHBondContact O-N 3.43Å; S212-R238 PolarHBondContact O-NH1 3.02Å; S212-R238 PolarHBondContact O-NH2 3.36Å
213K70.9Confident60.1Low62 Ų6282.2 Ų82.227%0.2740%0.395SS..PPolyproline II helixtrans-75.6135.9-178.4-62.7-170.6-174.1-178.10111.1V9 E118V9-K213 HydrophobicContact CG2-CB 3.56Å; V9-K213 HydrophobicContact CG2-CD 3.84Å; V9-K213 HydrophobicContact CG2-CG 4.35Å; E118-K213 VanDerWaalsContact OE1-CD 3.25Å; E118-K213 WeakPolarHBondContact OE1-CD 3.49Å; E118-K213 WeakPolarHBondContact OE1-CE 3.25Å; E118-K213 IonicContact OE1-NZ 2.76Å; E118-K213 PolarHBondContact OE1-NZ 2.94Å; E118-K213 IonicContact OE2-NZ 2.83Å; E118-K213 PolarHBondContact OE2-NZ 3.3Å
214L76.4Confident62.6Low13 Ų1381.5 Ų81.57%0.06839%0.391CS..PPolyproline II helixtrans-77.6129.9177.2-69.6169.5000109.6P8 V9 S212 Y218 I219 L234 V235 D252P8-L214 CarbonylContact C-O 3.43Å; P8-L214 WeakPolarHBondContact CA-O 3.02Å; P8-L214 WeakPolarHBondContact CB-O 2.98Å; V9-L214 PolarHBondContact N-O 3.31Å; S212-L214 PolarHBondContact O-N 3.43Å; L214-Y218 HydrophobicContact CD2-CD1 3.78Å; L214-Y218 HydrophobicContact CD2-CE1 3.52Å; L214-I219 HydrophobicContact CB-CD1 4.2Å; L214-I219 HydrophobicContact CB-CG1 4.41Å; L214-L234 HydrophobicContact CD1-CD2 4.03Å; L214-L234 HydrophobicContact CD1-CG 4.06Å; L214-V235 HydrophobicContact CB-CG2 4.43Å; L214-V235 HydrophobicContact CD1-CG2 4.26Å; L214-D252 HydrophobicContact CD2-CB 4.41Å; L214-D252 VanDerWaalsContact CD2-CG 3.48Å; L214-D252 VanDerWaalsContact CD2-OD2 3.31Å; L214-D252 WeakPolarHBondContact CD2-OD2 3.47Å
215E79Confident64.9Low70 Ų7085.2 Ų85.233%0.32741%0.406SS..BIsolated β-bridgetrans-89.9144.4172.9-67.7-179.2-178.800110.9V9 E217 Y218 I219V9-E215 HydrophobicContact CB-CG 4.2Å; V9-E215 HydrophobicContact CG1-CG 4.39Å; V9-E215 WeakPolarHBondContact O-CA 3.38Å; E215-E217 VanDerWaalsContact C-N 3.31Å; E215-E217 PolarHBondContact O-N 3.41Å; E215-Y218 WeakPolarHBondContact O-CB 2.95Å; E215-Y218 PolarHBondContact O-N 3.49Å; E215-I219 WeakPolarHBondContact O-CG1 3.14Å; E215-I219 PolarHBondContact O-N 2.85Å
216S78.1Confident67.3Low27 Ų2784.8 Ų84.819%0.18940%0.399CS..Hα-helixtrans-63.5-35.8179.1-172.30000112.1V9 Y218 I219 Q220 E231V9-S216 PolarHBondContact O-N 3.48Å; S216-Y218 PolarHBondContact O-N 3.35Å; S216-I219 PolarHBondContact O-N 3.26Å; S216-Q220 PolarHBondContact O-N 2.99Å; S216-E231 PolarHBondContact OG-OE1 2.9Å
217E77.9Confident69.8Low105 Ų10583.1 Ų83.149%0.49139%0.394SS..Hα-helixtrans-64.5-38.8174.8-67.5-167.3174.900111.9K13 E215 R221K13-E217 IonicContact NZ-OE1 2.73Å; K13-E217 PolarHBondContact NZ-OE1 3.3Å; E215-E217 VanDerWaalsContact C-N 3.31Å; E215-E217 PolarHBondContact O-N 3.41Å; E217-R221 VanDerWaalsContact O-CB 3.29Å; E217-R221 WeakPolarHBondContact O-CB 3.35Å; E217-R221 PolarHBondContact O-N 2.94Å
218Y82.6Confident71.9Confident82 Ų8273.6 Ų73.632%0.32236%0.361SS..Hα-helixtrans-62.6-47.8172.9165.6-93.1000111.5L214 E215 S216 Q220 R221 F222 L223 D252L214-Y218 HydrophobicContact CD2-CD1 3.78Å; L214-Y218 HydrophobicContact CD2-CE1 3.52Å; E215-Y218 WeakPolarHBondContact O-CB 2.95Å; E215-Y218 PolarHBondContact O-N 3.49Å; S216-Y218 PolarHBondContact O-N 3.35Å; Y218-Q220 PolarHBondContact O-N 3.19Å; Y218-R221 PolarHBondContact O-N 2.9Å; Y218-F222 HydrophobicContact CD2-CB 4.48Å; Y218-F222 AromaticContact CD2-CD2 3.35Å; Y218-F222 HydrophobicContact CD2-CD2 3.35Å; Y218-F222 AromaticContact CD2-CE2 3.87Å; Y218-F222 HydrophobicContact CD2-CE2 3.87Å; Y218-F222 HydrophobicContact CD2-CG 4.21Å; Y218-F222 HydrophobicContact CE2-CB 4.17Å; Y218-F222 AromaticContact CE2-CD2 3.63Å; Y218-F222 HydrophobicContact CE2-CD2 3.63Å; Y218-F222 HydrophobicContact CE2-CE2 4.28Å; Y218-F222 HydrophobicContact CE2-CG 4.07Å; Y218-F222 HydrophobicContact CG-CD2 4.16Å; Y218-F222 WeakPolarHBondContact O-CD2 3.5Å; Y218-F222 PolarHBondContact O-N 3.17Å; Y218-L223 HydrophobicContact CE1-CD1 4.21Å; Y218-L223 HydrophobicContact CE1-CG 4.46Å; Y218-D252 HydrophobicContact CE1-CB 4.39Å; Y218-D252 WeakPolarHBondContact CE1-OD2 3.19Å; Y218-D252 PolarHBondContact OH-OD2 3.01Å
219I80.9Confident74.1Confident0 Ų071.7 Ų71.70%035%0.351CS..Iπ-helixtrans-56.9-52.2178.6-66.6171.9000109.5P8 L214 E215 S216 R221 F222 L223 G224 L226 E231P8-I219 HydrophobicContact CB-CD1 3.73Å; P8-I219 HydrophobicContact CG-CD1 4Å; L214-I219 HydrophobicContact CB-CD1 4.2Å; L214-I219 HydrophobicContact CB-CG1 4.41Å; E215-I219 WeakPolarHBondContact O-CG1 3.14Å; E215-I219 PolarHBondContact O-N 2.85Å; S216-I219 PolarHBondContact O-N 3.26Å; I219-R221 VanDerWaalsContact C-N 3.29Å; I219-R221 PolarHBondContact O-N 2.89Å; I219-F222 PolarHBondContact O-N 2.98Å; I219-L223 HydrophobicContact CG1-CD1 4.22Å; I219-L223 HydrophobicContact CG2-CB 4.21Å; I219-L223 HydrophobicContact CG2-CD1 4.36Å; I219-L223 CarbonylContact O-C 3.27Å; I219-L223 VanDerWaalsContact O-CA 3.29Å; I219-L223 WeakPolarHBondContact O-CA 3.25Å; I219-L223 VanDerWaalsContact O-CB 3.27Å; I219-L223 WeakPolarHBondContact O-CB 3.37Å; I219-L223 PolarHBondContact O-N 3.08Å; I219-G224 PolarHBondContact O-N 3.11Å; I219-L226 HydrophobicContact CG2-CB 4.4Å; I219-L226 HydrophobicContact CG2-CD1 3.67Å; I219-L226 HydrophobicContact CG2-CG 4.06Å; I219-E231 HydrophobicContact CD1-CB 4.33Å; I219-E231 HydrophobicContact CD1-CG 4.24Å; I219-E231 HydrophobicContact CG2-CG 4.39Å
220Q80.3Confident76.6Confident124 Ų12466.6 Ų66.658%0.57933%0.33SS*.Iπ-helixtrans-58.5-42.1-178.8-173.5177.87.500112.2S216 Y218 G224S216-Q220 PolarHBondContact O-N 2.99Å; Y218-Q220 PolarHBondContact O-N 3.19Å; Q220-G224 WeakPolarHBondContact O-CA 3.26Å; Q220-G224 PolarHBondContact O-N 3.4Å
221R79.8Confident79Confident164 Ų16462.8 Ų62.862%0.61931%0.311SS*.Iπ-helixtrans-72.9-42.8-176.4-175173.2179.7178.70.6113.4E217 Y218 I219E217-R221 VanDerWaalsContact O-CB 3.29Å; E217-R221 WeakPolarHBondContact O-CB 3.35Å; E217-R221 PolarHBondContact O-N 2.94Å; Y218-R221 PolarHBondContact O-N 2.9Å; I219-R221 VanDerWaalsContact C-N 3.29Å; I219-R221 PolarHBondContact O-N 2.89Å
222F81.3Confident80.8Confident82 Ų8256.8 Ų56.836%0.3627%0.274SS..Iπ-helixtrans-108.9-23-169.2-65.9-76.9000114.3Y218 I219 T357Y218-F222 HydrophobicContact CD2-CB 4.48Å; Y218-F222 AromaticContact CD2-CD2 3.35Å; Y218-F222 HydrophobicContact CD2-CD2 3.35Å; Y218-F222 AromaticContact CD2-CE2 3.87Å; Y218-F222 HydrophobicContact CD2-CE2 3.87Å; Y218-F222 HydrophobicContact CD2-CG 4.21Å; Y218-F222 HydrophobicContact CE2-CB 4.17Å; Y218-F222 AromaticContact CE2-CD2 3.63Å; Y218-F222 HydrophobicContact CE2-CD2 3.63Å; Y218-F222 HydrophobicContact CE2-CE2 4.28Å; Y218-F222 HydrophobicContact CE2-CG 4.07Å; Y218-F222 HydrophobicContact CG-CD2 4.16Å; Y218-F222 WeakPolarHBondContact O-CD2 3.5Å; Y218-F222 PolarHBondContact O-N 3.17Å; I219-F222 PolarHBondContact O-N 2.98Å; F222-T357 HydrophobicContact CD1-CG2 4.23Å
223L84.8Confident82.4Confident9 Ų956.1 Ų56.15%0.04727%0.265CS..Iπ-helixtrans-112.9-14.2-178.1-53.4-177.3000112.7Y218 I219 L234 D252 A253 L256 R260Y218-L223 HydrophobicContact CE1-CD1 4.21Å; Y218-L223 HydrophobicContact CE1-CG 4.46Å; I219-L223 HydrophobicContact CG1-CD1 4.22Å; I219-L223 HydrophobicContact CG2-CB 4.21Å; I219-L223 HydrophobicContact CG2-CD1 4.36Å; I219-L223 CarbonylContact O-C 3.27Å; I219-L223 VanDerWaalsContact O-CA 3.29Å; I219-L223 WeakPolarHBondContact O-CA 3.25Å; I219-L223 VanDerWaalsContact O-CB 3.27Å; I219-L223 WeakPolarHBondContact O-CB 3.37Å; I219-L223 PolarHBondContact O-N 3.08Å; L223-L234 HydrophobicContact CD1-CD2 3.54Å; L223-D252 HydrophobicContact CD1-CB 3.76Å; L223-D252 HydrophobicContact CD2-CB 4.19Å; L223-A253 HydrophobicContact CD2-CB 3.86Å; L223-L256 HydrophobicContact CB-CD2 3.77Å; L223-R260 PolarHBondContact O-NH2 2.97Å
224G84.7Confident83.4Confident8 Ų853.2 Ų53.28%0.08225%0.252CS..  trans88.6-177.5-179.500000114I219 Q220 L226I219-G224 PolarHBondContact O-N 3.11Å; Q220-G224 WeakPolarHBondContact O-CA 3.26Å; Q220-G224 PolarHBondContact O-N 3.4Å; G224-L226 PolarHBondContact O-N 2.82Å
225Q84.7Confident83.9Confident179 Ų17953.1 Ų53.184%0.83625%0.252SS*.  trans-71.6115.2-177.4-168.5172.14.400109.6
226L86.4Confident84.3Confident20 Ų2052.1 Ų52.111%0.10525%0.247CC..  trans-112.1148.4173.3-63.1-176.4000109.1I219 G224 E230 E231 L234 L256 F264I219-L226 HydrophobicContact CG2-CB 4.4Å; I219-L226 HydrophobicContact CG2-CD1 3.67Å; I219-L226 HydrophobicContact CG2-CG 4.06Å; G224-L226 PolarHBondContact O-N 2.82Å; L226-E230 HydrophobicContact CB-CB 4.01Å; L226-E230 HydrophobicContact CD2-CB 4.38Å; L226-E231 HydrophobicContact CB-CG 3.88Å; L226-L234 HydrophobicContact CD1-CD2 4.4Å; L226-L256 HydrophobicContact CD1-CD1 4Å; L226-L256 HydrophobicContact CD1-CD2 4.18Å; L226-L256 HydrophobicContact CD2-CD1 4.1Å; L226-L256 HydrophobicContact CD2-CD2 4.26Å; L226-F264 HydrophobicContact CD2-CZ 4.49Å
227T86.2Confident84.9Confident76 Ų7650.8 Ų50.847%0.46624%0.238SC..  trans-67.3155.9166.866.30000109.9L229 E230 E231T227-L229 PolarHBondContact O-N 2.9Å; T227-L229 VanDerWaalsContact O-N 3.08Å; T227-E230 PolarHBondContact N-OE2 2.96Å; T227-E230 PolarHBondContact O-N 2.92Å; T227-E230 VanDerWaalsContact OG1-CD 3.26Å; T227-E230 WeakPolarHBondContact OG1-CG 3.44Å; T227-E230 PolarHBondContact OG1-N 3.3Å; T227-E230 PolarHBondContact OG1-OE2 3.06Å; T227-E231 PolarHBondContact O-N 3.33Å
228A79.9Confident85.4Confident16 Ų1648 Ų4813%0.13222%0.223CC..Hα-helixtrans-56.3-30.9178.800000113Y5 A144 S232Y5-A228 WeakPolarHBondContact CE2-O 3.48Å; A144-A228 HydrophobicContact CB-CB 4.28Å; A228-S232 PolarHBondContact O-N 2.93Å
229L82.8Confident85.5Confident48 Ų4845.9 Ų45.925%0.25122%0.22SC..Hα-helixtrans-69.4-47.3174.7-177.559000111.3V140 A144 T227 E231 S232 R233V140-L229 HydrophobicContact CG1-CD1 3.76Å; A144-L229 HydrophobicContact CB-CB 4.11Å; T227-L229 PolarHBondContact O-N 2.9Å; T227-L229 VanDerWaalsContact O-N 3.08Å; L229-E231 PolarHBondContact O-N 2.97Å; L229-S232 WeakPolarHBondContact O-CA 3.34Å; L229-S232 WeakPolarHBondContact O-CB 3.44Å; L229-S232 PolarHBondContact O-N 3.43Å; L229-S232 VanDerWaalsContact O-N 3.11Å; L229-R233 HydrophobicContact CD1-CG 4.5Å; L229-R233 WeakPolarHBondContact O-CG 3.47Å; L229-R233 PolarHBondContact O-N 3.48Å
230E90.5Very high85.7Confident49 Ų4947.6 Ų47.623%0.22923%0.232CC..Hα-helixtrans-62.6-41.1178.3-69.3167.6154.300112.1L226 T227 S232 R233 L234 F264L226-E230 HydrophobicContact CB-CB 4.01Å; L226-E230 HydrophobicContact CD2-CB 4.38Å; T227-E230 PolarHBondContact N-OE2 2.96Å; T227-E230 PolarHBondContact O-N 2.92Å; T227-E230 VanDerWaalsContact OG1-CD 3.26Å; T227-E230 WeakPolarHBondContact OG1-CG 3.44Å; T227-E230 PolarHBondContact OG1-N 3.3Å; T227-E230 PolarHBondContact OG1-OE2 3.06Å; E230-S232 VanDerWaalsContact C-N 3.27Å; E230-S232 PolarHBondContact O-N 3.24Å; E230-R233 PolarHBondContact O-N 2.79Å; E230-L234 PolarHBondContact O-N 3.45Å; E230-F264 HydrophobicContact CB-CD1 3.88Å; E230-F264 HydrophobicContact CB-CE1 3.51Å; E230-F264 HydrophobicContact CB-CZ 3.88Å; E230-F264 HydrophobicContact CG-CD1 3.72Å; E230-F264 HydrophobicContact CG-CD2 3.91Å; E230-F264 HydrophobicContact CG-CE1 3.52Å; E230-F264 HydrophobicContact CG-CE2 3.71Å; E230-F264 HydrophobicContact CG-CG 3.91Å; E230-F264 HydrophobicContact CG-CZ 3.5Å; E230-F264 VanDerWaalsContact CG-CZ 3.5Å; E230-F264 WeakPolarHBondContact OE1-CE2 3.4Å
231E87Confident86Confident11 Ų1141.9 Ų41.95%0.05121%0.205CC..Hα-helixtrans-55.6-46.1171.3-64.1-175.9136.500110.5P8 R10 S216 I219 L226 T227 L229 L234 V235P8-E231 HydrophobicContact CG-CB 4.01Å; P8-E231 HydrophobicContact CG-CG 4.32Å; P8-E231 WeakPolarHBondContact CG-OE2 3.48Å; R10-E231 IonicContact NH2-OE2 3.34Å; R10-E231 PolarHBondContact NH2-OE2 3.42Å; S216-E231 PolarHBondContact OG-OE1 2.9Å; I219-E231 HydrophobicContact CD1-CB 4.33Å; I219-E231 HydrophobicContact CD1-CG 4.24Å; I219-E231 HydrophobicContact CG2-CG 4.39Å; L226-E231 HydrophobicContact CB-CG 3.88Å; T227-E231 PolarHBondContact O-N 3.33Å; L229-E231 PolarHBondContact O-N 2.97Å; E231-L234 PolarHBondContact O-N 2.97Å; E231-V235 WeakPolarHBondContact O-CG2 3.47Å; E231-V235 PolarHBondContact O-N 2.95Å
232S85.5Confident86.2Confident1 Ų136.8 Ų36.81%0.00719%0.193CC..Hα-helixtrans-63.6-41.8178.7175.90000112.6Q6 A228 L229 E230 L234 V235 E236Q6-S232 PolarHBondContact N-OG 3.3Å; Q6-S232 WeakPolarHBondContact O-CA 3.42Å; Q6-S232 VanDerWaalsContact O-CB 3.26Å; Q6-S232 WeakPolarHBondContact O-CB 3.26Å; Q6-S232 PolarHBondContact O-OG 2.84Å; A228-S232 PolarHBondContact O-N 2.93Å; L229-S232 WeakPolarHBondContact O-CA 3.34Å; L229-S232 WeakPolarHBondContact O-CB 3.44Å; L229-S232 PolarHBondContact O-N 3.43Å; L229-S232 VanDerWaalsContact O-N 3.11Å; E230-S232 VanDerWaalsContact C-N 3.27Å; E230-S232 PolarHBondContact O-N 3.24Å; S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 3.43Å; S232-V235 PolarHBondContact O-N 3.37Å; S232-E236 VanDerWaalsContact O-CB 3.31Å; S232-E236 WeakPolarHBondContact O-CB 3.3Å; S232-E236 PolarHBondContact O-N 2.88Å
233R90.3Very high86.1Confident33 Ų3339 Ų3913%0.12521%0.208CC..Hα-helixtrans-65.1-36.7178-64.3-54.4-177.5-177.43.9111.7L229 E230 E236 L237 F264 V266L229-R233 HydrophobicContact CD1-CG 4.5Å; L229-R233 WeakPolarHBondContact O-CG 3.47Å; L229-R233 PolarHBondContact O-N 3.48Å; E230-R233 PolarHBondContact O-N 2.79Å; R233-E236 WeakPolarHBondContact CD-OE2 3.18Å; R233-E236 IonicContact CZ-OE2 3.2Å; R233-E236 IonicContact NH1-OE1 2.8Å; R233-E236 IonicContact NH1-OE2 2.76Å; R233-E236 PolarHBondContact NH1-OE2 2.82Å; R233-E236 PolarHBondContact O-N 2.84Å; R233-L237 WeakPolarHBondContact O-CB 3.43Å; R233-L237 PolarHBondContact O-N 3.45Å; R233-F264 HydrophobicContact CB-CB 4.47Å; R233-F264 HydrophobicContact CB-CD1 4.34Å; R233-F264 HydrophobicContact CG-CB 4.36Å; R233-V266 HydrophobicContact CB-CG2 3.81Å; R233-V266 HydrophobicContact CG-CG2 4.2Å
234L91.6Very high85.8Confident0 Ų041 Ų410%023%0.226CC..Hα-helixtrans-62.3-46.7172.9179.963.7000112.1L214 L223 L226 E230 E231 S232 E236 R238 L255 L256 L259L214-L234 HydrophobicContact CD1-CD2 4.03Å; L214-L234 HydrophobicContact CD1-CG 4.06Å; L223-L234 HydrophobicContact CD1-CD2 3.54Å; L226-L234 HydrophobicContact CD1-CD2 4.4Å; E230-L234 PolarHBondContact O-N 3.45Å; E231-L234 PolarHBondContact O-N 2.97Å; S232-L234 VanDerWaalsContact C-N 3.31Å; S232-L234 PolarHBondContact O-N 3.43Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 3.47Å; L234-R238 WeakPolarHBondContact O-CB 3.32Å; L234-R238 PolarHBondContact O-N 3.09Å; L234-L255 HydrophobicContact CD1-CB 3.91Å; L234-L256 HydrophobicContact CD1-CB 4.38Å; L234-L259 VanDerWaalsContact CA-CD1 3.49Å; L234-L259 HydrophobicContact CB-CD1 4.05Å; L234-L259 HydrophobicContact CD1-CD1 3.94Å
235V87.7Confident85.1Confident11 Ų1147.5 Ų47.57%0.06726%0.259CS..Hα-helixtrans-64.4-39.7177.6175.20000111.5Q6 P8 L214 E231 S232 S239Q6-V235 HydrophobicContact CB-CG1 4.44Å; Q6-V235 HydrophobicContact CG-CG1 3.81Å; P8-V235 HydrophobicContact CB-CG2 4.46Å; L214-V235 HydrophobicContact CB-CG2 4.43Å; L214-V235 HydrophobicContact CD1-CG2 4.26Å; E231-V235 WeakPolarHBondContact O-CG2 3.47Å; E231-V235 PolarHBondContact O-N 2.95Å; S232-V235 PolarHBondContact O-N 3.37Å; V235-S239 WeakPolarHBondContact O-CB 3.31Å; V235-S239 PolarHBondContact O-N 2.88Å; V235-S239 PolarHBondContact O-OG 3.35Å
236E88.1Confident84.2Confident49 Ų4941.4 Ų41.423%0.22923%0.234CC..Hα-helixtrans-63.3-51.9177.5-168.8178.7-170.700111.3S232 R233 L234 R238 S239 S240 V266S232-E236 VanDerWaalsContact O-CB 3.31Å; S232-E236 WeakPolarHBondContact O-CB 3.3Å; S232-E236 PolarHBondContact O-N 2.88Å; R233-E236 WeakPolarHBondContact CD-OE2 3.18Å; R233-E236 IonicContact CZ-OE2 3.2Å; R233-E236 IonicContact NH1-OE1 2.8Å; R233-E236 IonicContact NH1-OE2 2.76Å; R233-E236 PolarHBondContact NH1-OE2 2.82Å; R233-E236 PolarHBondContact O-N 2.84Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 3.47Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.31Å; E236-S239 PolarHBondContact O-N 3.23Å; E236-S240 PolarHBondContact O-N 3.13Å; E236-V266 HydrophobicContact CB-CG1 4.47Å; E236-V266 HydrophobicContact CB-CG2 4.28Å; E236-V266 HydrophobicContact CG-CG1 4.08Å; E236-V266 HydrophobicContact CG-CG2 4.41Å
237L90.3Very high83.5Confident0 Ų042.8 Ų42.80%025%0.253CS..Hα-helixtrans-56.4-48.1176.8173.760.8000111.3R233 S239 S240 L241 L255 L259 V266 Q270 V273R233-L237 WeakPolarHBondContact O-CB 3.43Å; R233-L237 PolarHBondContact O-N 3.45Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 2.86Å; L237-S240 WeakPolarHBondContact O-CB 3.22Å; L237-S240 PolarHBondContact O-N 2.86Å; L237-L241 HydrophobicContact CD1-CD1 4.08Å; L237-L241 HydrophobicContact CD1-CG 4.18Å; L237-L241 HydrophobicContact CG-CD1 4.13Å; L237-L241 WeakPolarHBondContact O-CG 3.44Å; L237-L241 PolarHBondContact O-N 3.5Å; L237-L255 HydrophobicContact CD2-CB 4.22Å; L237-L255 HydrophobicContact CD2-CD2 4.38Å; L237-L259 HydrophobicContact CB-CD1 4.14Å; L237-L259 HydrophobicContact CB-CD2 4.31Å; L237-L259 HydrophobicContact CD2-CD1 3.72Å; L237-L259 HydrophobicContact CD2-CD2 3.79Å; L237-L259 HydrophobicContact CD2-CG 3.48Å; L237-L259 VanDerWaalsContact CD2-CG 3.48Å; L237-V266 HydrophobicContact CB-CG1 4.19Å; L237-Q270 HydrophobicContact CD1-CB 3.63Å; L237-Q270 HydrophobicContact CD1-CG 4.35Å; L237-V273 HydrophobicContact CD2-CG2 4.5Å
238R88.6Confident83.2Confident47 Ų4747.7 Ų47.718%0.17727%0.268CS..Hα-helixtrans-60.1-44.8179.9-173.2173.9178.3-84.312.7111.5S212 L234 E236 S240 L241 V242 D252 L255S212-R238 PolarHBondContact O-NH1 3.02Å; S212-R238 PolarHBondContact O-NH2 3.36Å; L234-R238 WeakPolarHBondContact O-CB 3.32Å; L234-R238 PolarHBondContact O-N 3.09Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.31Å; R238-S240 VanDerWaalsContact C-N 3.33Å; R238-S240 PolarHBondContact O-N 3.28Å; R238-L241 PolarHBondContact O-N 2.88Å; R238-V242 VanDerWaalsContact O-CG2 3.29Å; R238-V242 WeakPolarHBondContact O-CG2 3.42Å; R238-V242 PolarHBondContact O-N 3.27Å; R238-V242 VanDerWaalsContact O-N 3.11Å; R238-D252 WeakPolarHBondContact CD-OD1 3.36Å; R238-D252 IonicContact NE-OD1 3.24Å; R238-D252 PolarHBondContact NE-OD1 3.24Å; R238-L255 HydrophobicContact CB-CD1 4.07Å; R238-L255 HydrophobicContact CG-CD1 4.15Å
239S84.6Confident83.3Confident37 Ų3749.5 Ų49.526%0.25928%0.275SS..Hα-helixtrans-63.6-40.5177.4-57.90000111.6V235 E236 L237 V242 N243V235-S239 WeakPolarHBondContact O-CB 3.31Å; V235-S239 PolarHBondContact O-N 2.88Å; V235-S239 PolarHBondContact O-OG 3.35Å; E236-S239 PolarHBondContact O-N 3.23Å; L237-S239 VanDerWaalsContact C-N 3.32Å; L237-S239 PolarHBondContact O-N 2.86Å; S239-V242 PolarHBondContact O-N 2.74Å; S239-N243 WeakPolarHBondContact O-CB 3.44Å; S239-N243 PolarHBondContact O-N 3.32Å; S239-N243 PolarHBondContact O-ND2 3.36Å; S239-N243 VanDerWaalsContact O-ND2 3.15Å
240S84.8Confident83.5Confident36 Ų3648.5 Ų48.525%0.25227%0.271SS..Hα-helixtrans-61.1-44.7176.5-168.10000112E236 L237 R238 V242 N243 A244 Q270E236-S240 PolarHBondContact O-N 3.13Å; L237-S240 WeakPolarHBondContact O-CB 3.22Å; L237-S240 PolarHBondContact O-N 2.86Å; R238-S240 VanDerWaalsContact C-N 3.33Å; R238-S240 PolarHBondContact O-N 3.28Å; S240-V242 PolarHBondContact O-N 3.11Å; S240-N243 PolarHBondContact O-N 3.04Å; S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.37Å; S240-Q270 VanDerWaalsContact OG-CD 3.3Å; S240-Q270 PolarHBondContact OG-NE2 3.44Å; S240-Q270 PolarHBondContact OG-OE1 3.02Å
241L86.9Confident83.4Confident3 Ų349.6 Ų49.62%0.01628%0.279CS..Hα-helixtrans-65.1-39.3178.4-69.6171.1000113.2L237 R238 N245 T246 L255 Q270 V273 V274L237-L241 HydrophobicContact CD1-CD1 4.08Å; L237-L241 HydrophobicContact CD1-CG 4.18Å; L237-L241 HydrophobicContact CG-CD1 4.13Å; L237-L241 WeakPolarHBondContact O-CG 3.44Å; L237-L241 PolarHBondContact O-N 3.5Å; R238-L241 PolarHBondContact O-N 2.88Å; L241-N245 PolarHBondContact O-N 3.2Å; L241-T246 PolarHBondContact O-OG1 3.49Å; L241-L255 HydrophobicContact CD1-CD1 4.36Å; L241-L255 HydrophobicContact CD1-CD2 3.44Å; L241-L255 VanDerWaalsContact CD1-CD2 3.44Å; L241-Q270 HydrophobicContact CD2-CG 4.13Å; L241-V273 HydrophobicContact CD1-CG1 3.95Å; L241-V273 HydrophobicContact CD2-CG1 4.28Å; L241-V274 HydrophobicContact CD2-CG2 4.06Å
242V82.7Confident83.6Confident58 Ų5849.8 Ų49.835%0.35228%0.28SS..Hα-helixtrans-58.7-49.8172.1175.80000110R238 S239 S240 A244 N245 I249R238-V242 VanDerWaalsContact O-CG2 3.29Å; R238-V242 WeakPolarHBondContact O-CG2 3.42Å; R238-V242 PolarHBondContact O-N 3.27Å; R238-V242 VanDerWaalsContact O-N 3.11Å; S239-V242 PolarHBondContact O-N 2.74Å; S240-V242 PolarHBondContact O-N 3.11Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.48Å; V242-N245 PolarHBondContact O-N 3.4Å; V242-N245 VanDerWaalsContact O-N 3.08Å; V242-I249 HydrophobicContact CB-CD1 4.12Å; V242-I249 HydrophobicContact CG2-CD1 3.25Å
243N79.1Confident83.8Confident127 Ų12751.5 Ų51.568%0.67929%0.294SS*.Hα-helixtrans-67.8-34-176.3-68.2-25.5000112.7S239 S240 N245S239-N243 WeakPolarHBondContact O-CB 3.44Å; S239-N243 PolarHBondContact O-N 3.32Å; S239-N243 PolarHBondContact O-ND2 3.36Å; S239-N243 VanDerWaalsContact O-ND2 3.15Å; S240-N243 PolarHBondContact O-N 3.04Å; N243-N245 PolarHBondContact O-N 2.98Å
244A78.8Confident83.9Confident52 Ų5252 Ų5243%0.4330%0.298SS..THydrogen-bonded Turntrans-71-5.7174.500000113.4S240 V242 T246S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.37Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.48Å; A244-T246 VanDerWaalsContact C-N 3.25Å; A244-T246 HydrophobicContact CB-CG2 3.97Å; A244-T246 PolarHBondContact O-N 3.41Å
245N70.1Confident84Confident144 Ų14452 Ų5277%0.7730%0.298SS*.THydrogen-bonded Turntrans5241.2179.1-156.834.1000113.2L241 V242 N243 G247L241-N245 PolarHBondContact O-N 3.2Å; V242-N245 PolarHBondContact O-N 3.4Å; V242-N245 VanDerWaalsContact O-N 3.08Å; N243-N245 PolarHBondContact O-N 2.98Å; N245-G247 PolarHBondContact O-N 3.21Å
246T67Low84.3Confident51 Ų5151.7 Ų51.731%0.31330%0.296SS..  trans-72.47-17340.90000114.7L241 A244 V274L241-T246 PolarHBondContact O-OG1 3.49Å; A244-T246 VanDerWaalsContact C-N 3.25Å; A244-T246 HydrophobicContact CB-CG2 3.97Å; A244-T246 PolarHBondContact O-N 3.41Å; T246-V274 HydrophobicContact CG2-CG2 4.2Å
247G71.5Confident84.6Confident50 Ų5049.7 Ų49.752%0.51529%0.286SS..SBendtrans93.6-139.7-178.600000112.3N245 I249N245-G247 PolarHBondContact O-N 3.21Å; G247-I249 PolarHBondContact O-N 2.88Å
248K79.5Confident84.9Confident178 Ų17850.2 Ų50.277%0.77429%0.288SS*.SBendtrans-66.7117.6176.6-174.8-177.1178.1-172.40109.3
249I82.1Confident85.2Confident55 Ų5548 Ų4828%0.28228%0.28SS..PPolyproline II helixtrans-76.7134.7178.7-55.7165.7000108.4V242 G247 L255V242-I249 HydrophobicContact CB-CD1 4.12Å; V242-I249 HydrophobicContact CG2-CD1 3.25Å; G247-I249 PolarHBondContact O-N 2.88Å; I249-L255 HydrophobicContact CG2-CD1 4.28Å
250P86.7Confident85.6Confident26 Ų2649.2 Ų49.217%0.16928%0.279CS..PPolyproline II helixtrans-56.9158170.9-23.934.4000112.2H254 L255 V273 M277P250-H254 HydrophobicContact CB-CB 3.7Å; P250-L255 HydrophobicContact CB-CD2 4.07Å; P250-L255 HydrophobicContact CB-CG 4.4Å; P250-L255 HydrophobicContact CG-CD2 4.15Å; P250-V273 HydrophobicContact CG-CG1 4.22Å; P250-M277 HydrophobicContact CG-CE 4.18Å; P250-M277 HydrophobicContact CG-CG 4.14Å; P250-M277 HydrophobicContact CG-SD 3.66Å
251N88.8Confident86Confident72 Ų7248.7 Ų48.739%0.38528%0.277SS..PPolyproline II helixtrans-67.6164.7173.773.326.6000111.3A253 H254 L255N251-A253 VanDerWaalsContact C-N 3.28Å; N251-A253 PolarHBondContact O-N 3.08Å; N251-A253 PolarHBondContact OD1-N 3.45Å; N251-H254 PolarHBondContact ND2-ND1 3Å; N251-H254 WeakPolarHBondContact O-CB 3.47Å; N251-H254 PolarHBondContact O-N 3.42Å; N251-H254 VanDerWaalsContact O-N 3.09Å; N251-H254 PolarHBondContact OD1-N 3.24Å; N251-H254 PolarHBondContact OD1-ND1 3.01Å; N251-L255 PolarHBondContact O-N 3.24Å; N251-L255 VanDerWaalsContact O-N 3.08Å
252D90.3Very high86.4Confident16 Ų1648.6 Ų48.69%0.08628%0.277CS..Hα-helixtrans-66.7-30.4-171.8-47.4-60.4000112.8L214 Y218 L223 R238 L255 L256L214-D252 HydrophobicContact CD2-CB 4.41Å; L214-D252 VanDerWaalsContact CD2-CG 3.48Å; L214-D252 VanDerWaalsContact CD2-OD2 3.31Å; L214-D252 WeakPolarHBondContact CD2-OD2 3.47Å; Y218-D252 HydrophobicContact CE1-CB 4.39Å; Y218-D252 WeakPolarHBondContact CE1-OD2 3.19Å; Y218-D252 PolarHBondContact OH-OD2 3.01Å; L223-D252 HydrophobicContact CD1-CB 3.76Å; L223-D252 HydrophobicContact CD2-CB 4.19Å; R238-D252 WeakPolarHBondContact CD-OD1 3.36Å; R238-D252 IonicContact NE-OD1 3.24Å; R238-D252 PolarHBondContact NE-OD1 3.24Å; D252-L255 PolarHBondContact O-N 3.23Å; D252-L256 VanDerWaalsContact O-CB 3.3Å; D252-L256 WeakPolarHBondContact O-CB 3.38Å; D252-L256 PolarHBondContact O-N 3.02Å
253A90.4Very high86.8Confident37 Ų3750.6 Ų50.631%0.30629%0.285SS..Hα-helixtrans-65.5-38174.200000112L223 N251 R257L223-A253 HydrophobicContact CD2-CB 3.86Å; N251-A253 VanDerWaalsContact C-N 3.28Å; N251-A253 PolarHBondContact O-N 3.08Å; N251-A253 PolarHBondContact OD1-N 3.45Å; A253-R257 WeakPolarHBondContact O-CG 3.44Å; A253-R257 PolarHBondContact O-N 2.93Å
254H92Very high87.4Confident44 Ų4446.3 Ų46.320%0.20426%0.261CS..Hα-helixtrans-61.7-52.8170.3-78.282.4000110.4P250 N251 L256 R257 F258P250-H254 HydrophobicContact CB-CB 3.7Å; N251-H254 PolarHBondContact ND2-ND1 3Å; N251-H254 WeakPolarHBondContact O-CB 3.47Å; N251-H254 PolarHBondContact O-N 3.42Å; N251-H254 VanDerWaalsContact O-N 3.09Å; N251-H254 PolarHBondContact OD1-N 3.24Å; N251-H254 PolarHBondContact OD1-ND1 3.01Å; H254-L256 VanDerWaalsContact C-N 3.28Å; H254-L256 PolarHBondContact O-N 2.99Å; H254-R257 PolarHBondContact CD2-NH2 2.91Å; H254-R257 PolarHBondContact NE2-NH2 2.91Å; H254-R257 WeakPolarHBondContact O-CB 3.29Å; H254-R257 PolarHBondContact O-N 2.66Å; H254-R257 VanDerWaalsContact O-N 3.14Å; H254-F258 WeakPolarHBondContact O-CD2 3.37Å; H254-F258 PolarHBondContact O-N 3.18Å
255L94.4Very high88Confident0 Ų047.2 Ų47.20%026%0.258CS..Hα-helixtrans-57.9-41.1-179-62.7-178.4000112.4L234 L237 R238 L241 I249 P250 N251 D252 R257 F258 L259 V273L234-L255 HydrophobicContact CD1-CB 3.91Å; L237-L255 HydrophobicContact CD2-CB 4.22Å; L237-L255 HydrophobicContact CD2-CD2 4.38Å; R238-L255 HydrophobicContact CB-CD1 4.07Å; R238-L255 HydrophobicContact CG-CD1 4.15Å; L241-L255 HydrophobicContact CD1-CD1 4.36Å; L241-L255 HydrophobicContact CD1-CD2 3.44Å; L241-L255 VanDerWaalsContact CD1-CD2 3.44Å; I249-L255 HydrophobicContact CG2-CD1 4.28Å; P250-L255 HydrophobicContact CB-CD2 4.07Å; P250-L255 HydrophobicContact CB-CG 4.4Å; P250-L255 HydrophobicContact CG-CD2 4.15Å; N251-L255 PolarHBondContact O-N 3.24Å; N251-L255 VanDerWaalsContact O-N 3.08Å; D252-L255 PolarHBondContact O-N 3.23Å; L255-R257 VanDerWaalsContact C-N 3.33Å; L255-R257 PolarHBondContact O-N 3.1Å; L255-F258 PolarHBondContact O-N 2.63Å; L255-L259 PolarHBondContact O-N 3.02Å; L255-V273 HydrophobicContact CD2-CG1 4.08Å; L255-V273 HydrophobicContact CD2-CG2 4.13Å
256L94.6Very high89Confident3 Ų340.9 Ų40.92%0.01623%0.225CC..Hα-helixtrans-64.1-36.2179.3-177.658.1000112.8L223 L226 L234 D252 H254 L259 R260 F264L223-L256 HydrophobicContact CB-CD2 3.77Å; L226-L256 HydrophobicContact CD1-CD1 4Å; L226-L256 HydrophobicContact CD1-CD2 4.18Å; L226-L256 HydrophobicContact CD2-CD1 4.1Å; L226-L256 HydrophobicContact CD2-CD2 4.26Å; L234-L256 HydrophobicContact CD1-CB 4.38Å; D252-L256 VanDerWaalsContact O-CB 3.3Å; D252-L256 WeakPolarHBondContact O-CB 3.38Å; D252-L256 PolarHBondContact O-N 3.02Å; H254-L256 VanDerWaalsContact C-N 3.28Å; H254-L256 PolarHBondContact O-N 2.99Å; L256-L259 PolarHBondContact O-N 2.83Å; L256-R260 HydrophobicContact CD1-CG 4.32Å; L256-R260 WeakPolarHBondContact O-CB 3.36Å; L256-R260 WeakPolarHBondContact O-CG 3.38Å; L256-R260 PolarHBondContact O-N 3.48Å; L256-F264 HydrophobicContact CD1-CE1 3.77Å; L256-F264 HydrophobicContact CD1-CZ 4.08Å
257R94.4Very high90.2Very high7 Ų742.5 Ų42.53%0.02623%0.231CC..Hα-helixtrans-61.6-45.3175.3-76.6-174.3-64.7136.9-14111.8A253 H254 L255 R260 A261 L350 P401 E402A253-R257 WeakPolarHBondContact O-CG 3.44Å; A253-R257 PolarHBondContact O-N 2.93Å; H254-R257 PolarHBondContact CD2-NH2 2.91Å; H254-R257 PolarHBondContact NE2-NH2 2.91Å; H254-R257 WeakPolarHBondContact O-CB 3.29Å; H254-R257 PolarHBondContact O-N 2.66Å; H254-R257 VanDerWaalsContact O-N 3.14Å; L255-R257 VanDerWaalsContact C-N 3.33Å; L255-R257 PolarHBondContact O-N 3.1Å; R257-R260 PolarHBondContact O-N 3.45Å; R257-A261 PolarHBondContact O-N 3.06Å; R257-L350 VanDerWaalsContact CZ-CD2 3.45Å; R257-L350 VanDerWaalsContact NH2-CD2 3.28Å; R257-P401 WeakPolarHBondContact CB-O 3.42Å; R257-P401 WeakPolarHBondContact CD-O 3.48Å; R257-E402 HydrophobicContact CB-CB 4.22Å; R257-E402 HydrophobicContact CG-CB 4.17Å
258F95.7Very high91.2Very high11 Ų1146 Ų465%0.04823%0.229CC..Hα-helixtrans-66.3-39176.4-76.7-86.8000112.2H254 L255 A261 A262 M272 V273 P401H254-F258 WeakPolarHBondContact O-CD2 3.37Å; H254-F258 PolarHBondContact O-N 3.18Å; L255-F258 PolarHBondContact O-N 2.63Å; F258-A261 PolarHBondContact O-N 3.39Å; F258-A262 WeakPolarHBondContact O-CB 3.29Å; F258-A262 PolarHBondContact O-N 3.02Å; F258-M272 HydrophobicContact CD1-CB 3.71Å; F258-M272 HydrophobicContact CD1-CE 4.31Å; F258-M272 HydrophobicContact CE1-CB 4.29Å; F258-V273 HydrophobicContact CB-CG2 3.48Å; F258-V273 VanDerWaalsContact CB-CG2 3.48Å; F258-V273 HydrophobicContact CD1-CG2 4.08Å; F258-V273 HydrophobicContact CD2-CG2 3.84Å; F258-V273 HydrophobicContact CG-CG2 3.52Å; F258-P401 HydrophobicContact CD1-CG 3.64Å; F258-P401 HydrophobicContact CD2-CG 4.11Å; F258-P401 HydrophobicContact CE1-CG 3.61Å; F258-P401 HydrophobicContact CE2-CG 4.07Å; F258-P401 HydrophobicContact CG-CG 3.89Å; F258-P401 HydrophobicContact CZ-CG 3.83Å
259L94.8Very high92Very high0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-62.6-44.4173.7-79.7171.4000112.4L234 L237 L255 L256 A261 A262 D263 F264 V266L234-L259 VanDerWaalsContact CA-CD1 3.49Å; L234-L259 HydrophobicContact CB-CD1 4.05Å; L234-L259 HydrophobicContact CD1-CD1 3.94Å; L237-L259 HydrophobicContact CB-CD1 4.14Å; L237-L259 HydrophobicContact CB-CD2 4.31Å; L237-L259 HydrophobicContact CD2-CD1 3.72Å; L237-L259 HydrophobicContact CD2-CD2 3.79Å; L237-L259 HydrophobicContact CD2-CG 3.48Å; L237-L259 VanDerWaalsContact CD2-CG 3.48Å; L255-L259 PolarHBondContact O-N 3.02Å; L256-L259 PolarHBondContact O-N 2.83Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.1Å; L259-A262 CarbonylContact O-C 3.57Å; L259-A262 PolarHBondContact O-N 3.49Å; L259-A262 VanDerWaalsContact O-N 3.11Å; L259-D263 PolarHBondContact O-N 2.99Å; L259-D263 VanDerWaalsContact O-N 3.13Å; L259-F264 HydrophobicContact CB-CD1 3.99Å; L259-F264 HydrophobicContact CB-CE1 4.26Å; L259-F264 WeakPolarHBondContact O-CA 3.48Å; L259-F264 PolarHBondContact O-N 2.89Å; L259-V266 HydrophobicContact CD2-CG2 4.27Å
260R93.9Very high92.5Very high64 Ų6437 Ų3724%0.24219%0.189CC..Hα-helixtrans-60.6-41.9177-76.8174.6175.7156.82.1111.8L223 L256 R257 A262 D263 F264 E402L223-R260 PolarHBondContact O-NH2 2.97Å; L256-R260 HydrophobicContact CD1-CG 4.32Å; L256-R260 WeakPolarHBondContact O-CB 3.36Å; L256-R260 WeakPolarHBondContact O-CG 3.38Å; L256-R260 PolarHBondContact O-N 3.48Å; R257-R260 PolarHBondContact O-N 3.45Å; R260-A262 VanDerWaalsContact C-N 3.29Å; R260-A262 PolarHBondContact O-N 3.37Å; R260-D263 PolarHBondContact O-N 3.04Å; R260-F264 HydrophobicContact CG-CE2 3.96Å; R260-F264 HydrophobicContact CG-CZ 3.73Å; R260-E402 HydrophobicContact CB-CG 3.78Å
261A92.7Very high92.9Very high25 Ų2542.5 Ų42.521%0.20721%0.212CC..Hα-helixtrans-67.6-28.617500000113.5R257 F258 L259 D263 M272 P401 E402R257-A261 PolarHBondContact O-N 3.06Å; F258-A261 PolarHBondContact O-N 3.39Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.1Å; A261-D263 VanDerWaalsContact C-N 3.31Å; A261-M272 HydrophobicContact CB-CE 3.98Å; A261-P401 HydrophobicContact CB-CB 3.52Å; A261-P401 HydrophobicContact CB-CG 4.4Å; A261-E402 HydrophobicContact CB-CG 4.36Å
262A94.1Very high93.2Very high1 Ų141.3 Ų41.31%0.00821%0.205CC..THydrogen-bonded Turntrans-87.810.5174.400000113.8F258 L259 R260 F264 D265 R268 M272F258-A262 WeakPolarHBondContact O-CB 3.29Å; F258-A262 PolarHBondContact O-N 3.02Å; L259-A262 CarbonylContact O-C 3.57Å; L259-A262 PolarHBondContact O-N 3.49Å; L259-A262 VanDerWaalsContact O-N 3.11Å; R260-A262 VanDerWaalsContact C-N 3.29Å; R260-A262 PolarHBondContact O-N 3.37Å; A262-F264 PolarHBondContact O-N 3.5Å; A262-D265 VanDerWaalsContact O-CB 3.26Å; A262-D265 WeakPolarHBondContact O-CB 3.39Å; A262-D265 PolarHBondContact O-N 2.89Å; A262-R268 HydrophobicContact CB-CB 4.2Å; A262-R268 HydrophobicContact CB-CG 4.06Å; A262-M272 HydrophobicContact CB-SD 4.02Å
263D91.8Very high93.4Very high100 Ų10040.6 Ų40.654%0.53520%0.201SC..THydrogen-bonded Turntrans56.134.5-175.9-65.5-59.2000113.6L259 R260 A261 D265 K430L259-D263 PolarHBondContact O-N 2.99Å; L259-D263 VanDerWaalsContact O-N 3.13Å; R260-D263 PolarHBondContact O-N 3.04Å; A261-D263 VanDerWaalsContact C-N 3.31Å; D263-D265 PolarHBondContact O-N 3.38Å; D263-K430 IonicContact OD1-NZ 3.34Å; D263-K430 PolarHBondContact OD1-NZ 3.22Å
264F91.7Very high93.5Very high37 Ų3740.8 Ų40.816%0.16220%0.198CC..THydrogen-bonded Turntrans58.621.4-174.7-66.2-90.7000114.7L226 E230 R233 L256 L259 R260 A262 V266L226-F264 HydrophobicContact CD2-CZ 4.49Å; E230-F264 HydrophobicContact CB-CD1 3.88Å; E230-F264 HydrophobicContact CB-CE1 3.51Å; E230-F264 HydrophobicContact CB-CZ 3.88Å; E230-F264 HydrophobicContact CG-CD1 3.72Å; E230-F264 HydrophobicContact CG-CD2 3.91Å; E230-F264 HydrophobicContact CG-CE1 3.52Å; E230-F264 HydrophobicContact CG-CE2 3.71Å; E230-F264 HydrophobicContact CG-CG 3.91Å; E230-F264 HydrophobicContact CG-CZ 3.5Å; E230-F264 VanDerWaalsContact CG-CZ 3.5Å; E230-F264 WeakPolarHBondContact OE1-CE2 3.4Å; R233-F264 HydrophobicContact CB-CB 4.47Å; R233-F264 HydrophobicContact CB-CD1 4.34Å; R233-F264 HydrophobicContact CG-CB 4.36Å; L256-F264 HydrophobicContact CD1-CE1 3.77Å; L256-F264 HydrophobicContact CD1-CZ 4.08Å; L259-F264 HydrophobicContact CB-CD1 3.99Å; L259-F264 HydrophobicContact CB-CE1 4.26Å; L259-F264 WeakPolarHBondContact O-CA 3.48Å; L259-F264 PolarHBondContact O-N 2.89Å; R260-F264 HydrophobicContact CG-CE2 3.96Å; R260-F264 HydrophobicContact CG-CZ 3.73Å; A262-F264 PolarHBondContact O-N 3.5Å; F264-V266 PolarHBondContact O-N 2.92Å
265D91.4Very high93.6Very high71 Ų7144.5 Ų44.538%0.3821%0.214SC..  trans-74.1115.7164.1-169.6-51.4000109.4A262 D263 D267 R268 G269A262-D265 VanDerWaalsContact O-CB 3.26Å; A262-D265 WeakPolarHBondContact O-CB 3.39Å; A262-D265 PolarHBondContact O-N 2.89Å; D263-D265 PolarHBondContact O-N 3.38Å; D265-D267 PolarHBondContact OD1-N 2.64Å; D265-D267 VanDerWaalsContact OD1-N 3.13Å; D265-R268 HydrophobicContact CB-CB 4.03Å; D265-R268 PolarHBondContact OD1-N 3.03Å; D265-R268 VanDerWaalsContact OD1-N 3.09Å; D265-G269 WeakPolarHBondContact O-CA 3.37Å; D265-G269 PolarHBondContact O-N 2.81Å
266V91.1Very high93.7Very high10 Ų1044.6 Ų44.66%0.06122%0.215CC..Hα-helixtrans-72-38.7-172.8169.60000111.9R233 E236 L237 L259 F264 G269 Q270R233-V266 HydrophobicContact CB-CG2 3.81Å; R233-V266 HydrophobicContact CG-CG2 4.2Å; E236-V266 HydrophobicContact CB-CG1 4.47Å; E236-V266 HydrophobicContact CB-CG2 4.28Å; E236-V266 HydrophobicContact CG-CG1 4.08Å; E236-V266 HydrophobicContact CG-CG2 4.41Å; L237-V266 HydrophobicContact CB-CG1 4.19Å; L259-V266 HydrophobicContact CD2-CG2 4.27Å; F264-V266 PolarHBondContact O-N 2.92Å; V266-G269 PolarHBondContact O-N 2.88Å; V266-Q270 VanDerWaalsContact O-CB 3.25Å; V266-Q270 WeakPolarHBondContact O-CB 3.18Å; V266-Q270 PolarHBondContact O-N 2.97Å
267D91.7Very high93.6Very high85 Ų8546.2 Ų46.246%0.45522%0.222SC..Hα-helixtrans-67-48.5-179.3-66.6-37.3000109.3M1 D265 G269 Q270 E271M1-D267 WeakPolarHBondContact CE-OD2 3.3Å; D265-D267 PolarHBondContact OD1-N 2.64Å; D265-D267 VanDerWaalsContact OD1-N 3.13Å; D267-G269 PolarHBondContact O-N 2.88Å; D267-Q270 WeakPolarHBondContact O-CB 3.19Å; D267-Q270 PolarHBondContact O-N 2.9Å; D267-E271 WeakPolarHBondContact O-CG 3.41Å; D267-E271 PolarHBondContact O-N 3.46Å
268R93.8Very high93.5Very high125 Ų12552 Ų5247%0.47225%0.251SS..Hα-helixtrans-62.9-43.7175.1-175.3-179177.7-170.1-1.1111.9A262 D265 Q270 E271 M272A262-R268 HydrophobicContact CB-CB 4.2Å; A262-R268 HydrophobicContact CB-CG 4.06Å; D265-R268 HydrophobicContact CB-CB 4.03Å; D265-R268 PolarHBondContact OD1-N 3.03Å; D265-R268 VanDerWaalsContact OD1-N 3.09Å; R268-Q270 VanDerWaalsContact C-N 3.29Å; R268-Q270 PolarHBondContact O-N 3.35Å; R268-E271 PolarHBondContact O-N 2.74Å; R268-M272 HydrophobicContact CG-SD 4.28Å; R268-M272 WeakPolarHBondContact O-CG 3.21Å; R268-M272 PolarHBondContact O-N 3.23Å
269G94.8Very high93.5Very high0 Ų053.1 Ų53.10%026%0.255CS..Hα-helixtrans-60-40.417700000112D265 V266 D267 M272 V273D265-G269 WeakPolarHBondContact O-CA 3.37Å; D265-G269 PolarHBondContact O-N 2.81Å; V266-G269 PolarHBondContact O-N 2.88Å; D267-G269 PolarHBondContact O-N 2.88Å; G269-M272 PolarHBondContact O-N 3.3Å; G269-V273 VanDerWaalsContact O-CG2 3.29Å; G269-V273 WeakPolarHBondContact O-CG2 3.24Å; G269-V273 PolarHBondContact O-N 2.91Å
270Q93.3Very high93.5Very high44 Ų4453.9 Ų53.921%0.20626%0.258CS..Hα-helixtrans-63.6-46.6175.2180176.3-2100112L237 S240 L241 V266 D267 R268 M272 V273 V274L237-Q270 HydrophobicContact CD1-CB 3.63Å; L237-Q270 HydrophobicContact CD1-CG 4.35Å; S240-Q270 VanDerWaalsContact OG-CD 3.3Å; S240-Q270 PolarHBondContact OG-NE2 3.44Å; S240-Q270 PolarHBondContact OG-OE1 3.02Å; L241-Q270 HydrophobicContact CD2-CG 4.13Å; V266-Q270 VanDerWaalsContact O-CB 3.25Å; V266-Q270 WeakPolarHBondContact O-CB 3.18Å; V266-Q270 PolarHBondContact O-N 2.97Å; D267-Q270 WeakPolarHBondContact O-CB 3.19Å; D267-Q270 PolarHBondContact O-N 2.9Å; R268-Q270 VanDerWaalsContact C-N 3.29Å; R268-Q270 PolarHBondContact O-N 3.35Å; Q270-M272 VanDerWaalsContact C-N 3.33Å; Q270-M272 PolarHBondContact O-N 3.37Å; Q270-V273 PolarHBondContact O-N 3.24Å; Q270-V274 HydrophobicContact CG-CG2 4.37Å; Q270-V274 WeakPolarHBondContact O-CB 3.21Å; Q270-V274 VanDerWaalsContact O-CG2 3.31Å; Q270-V274 WeakPolarHBondContact O-CG2 3.25Å; Q270-V274 PolarHBondContact O-N 3.43Å
271E94.3Very high93.4Very high141 Ų14156.6 Ų56.666%0.65927%0.272SS*.Hα-helixtrans-57.6-46.5176.4-72.4177.6-178.600111.6D267 R268 V274 K275D267-E271 WeakPolarHBondContact O-CG 3.41Å; D267-E271 PolarHBondContact O-N 3.46Å; R268-E271 PolarHBondContact O-N 2.74Å; E271-V274 PolarHBondContact O-N 3.29Å; E271-K275 WeakPolarHBondContact O-CB 3.37Å; E271-K275 PolarHBondContact O-N 3.16Å
272M95.4Very high93.4Very high46 Ų4662.5 Ų62.523%0.22730%0.295CS..Hα-helixtrans-62.4-44.8178.3-65.8175.866.100112F258 A261 A262 R268 G269 Q270 K275 S276F258-M272 HydrophobicContact CD1-CB 3.71Å; F258-M272 HydrophobicContact CD1-CE 4.31Å; F258-M272 HydrophobicContact CE1-CB 4.29Å; A261-M272 HydrophobicContact CB-CE 3.98Å; A262-M272 HydrophobicContact CB-SD 4.02Å; R268-M272 HydrophobicContact CG-SD 4.28Å; R268-M272 WeakPolarHBondContact O-CG 3.21Å; R268-M272 PolarHBondContact O-N 3.23Å; G269-M272 PolarHBondContact O-N 3.3Å; Q270-M272 VanDerWaalsContact C-N 3.33Å; Q270-M272 PolarHBondContact O-N 3.37Å; M272-K275 PolarHBondContact O-N 3.3Å; M272-S276 WeakPolarHBondContact O-CB 3.23Å; M272-S276 PolarHBondContact O-N 3.14Å
273V95Very high93.3Very high2 Ų266.7 Ų66.71%0.01231%0.314CS..Hα-helixtrans-62.1-47.5177.1170.80000110.8L237 L241 P250 L255 F258 G269 Q270 K275 S276 M277L237-V273 HydrophobicContact CD2-CG2 4.5Å; L241-V273 HydrophobicContact CD1-CG1 3.95Å; L241-V273 HydrophobicContact CD2-CG1 4.28Å; P250-V273 HydrophobicContact CG-CG1 4.22Å; L255-V273 HydrophobicContact CD2-CG1 4.08Å; L255-V273 HydrophobicContact CD2-CG2 4.13Å; F258-V273 HydrophobicContact CB-CG2 3.48Å; F258-V273 VanDerWaalsContact CB-CG2 3.48Å; F258-V273 HydrophobicContact CD1-CG2 4.08Å; F258-V273 HydrophobicContact CD2-CG2 3.84Å; F258-V273 HydrophobicContact CG-CG2 3.52Å; G269-V273 VanDerWaalsContact O-CG2 3.29Å; G269-V273 WeakPolarHBondContact O-CG2 3.24Å; G269-V273 PolarHBondContact O-N 2.91Å; Q270-V273 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 2.97Å; V273-S276 PolarHBondContact O-N 2.76Å; V273-M277 HydrophobicContact CG1-CG 4.18Å; V273-M277 WeakPolarHBondContact O-CB 3.36Å; V273-M277 WeakPolarHBondContact O-CG 3.47Å; V273-M277 PolarHBondContact O-N 3.3Å
274V93.3Very high93.4Very high40 Ų4067.3 Ų67.324%0.24232%0.317CS..Hα-helixtrans-62.6-45.3-179.1170.90000110.8L241 T246 Q270 E271 M277 M278L241-V274 HydrophobicContact CD2-CG2 4.06Å; T246-V274 HydrophobicContact CG2-CG2 4.2Å; Q270-V274 HydrophobicContact CG-CG2 4.37Å; Q270-V274 WeakPolarHBondContact O-CB 3.21Å; Q270-V274 VanDerWaalsContact O-CG2 3.31Å; Q270-V274 WeakPolarHBondContact O-CG2 3.25Å; Q270-V274 PolarHBondContact O-N 3.43Å; E271-V274 PolarHBondContact O-N 3.29Å; V274-M277 PolarHBondContact O-N 3.22Å; V274-M278 HydrophobicContact CG1-CE 4.03Å; V274-M278 HydrophobicContact CG1-SD 4.47Å; V274-M278 WeakPolarHBondContact O-CG 3.3Å; V274-M278 PolarHBondContact O-N 3.08Å
275K94.4Very high93.6Very high122 Ų12265.5 Ų65.553%0.5331%0.31SS..Hα-helixtrans-58.9-49.4176.7-172.5-180-176.4-173.60111.2E271 M272 V273 M277 M278 W279 E398E271-K275 WeakPolarHBondContact O-CB 3.37Å; E271-K275 PolarHBondContact O-N 3.16Å; M272-K275 PolarHBondContact O-N 3.3Å; V273-K275 PolarHBondContact O-N 2.97Å; K275-M277 PolarHBondContact O-N 3.44Å; K275-M278 PolarHBondContact O-N 2.84Å; K275-W279 PolarHBondContact O-N 3.44Å; K275-E398 VanDerWaalsContact CD-OE1 3.27Å; K275-E398 WeakPolarHBondContact CD-OE1 3.17Å; K275-E398 WeakPolarHBondContact CE-OE1 3.3Å; K275-E398 IonicContact NZ-OE1 3.12Å; K275-E398 PolarHBondContact NZ-OE1 2.97Å
276S95.1Very high93.6Very high3 Ų366.6 Ų66.62%0.02132%0.315CS..Hα-helixtrans-62.6-41.3178.7-172.10000111.8M272 V273 M278 W279 R280 N399M272-S276 WeakPolarHBondContact O-CB 3.23Å; M272-S276 PolarHBondContact O-N 3.14Å; V273-S276 PolarHBondContact O-N 2.76Å; S276-M278 VanDerWaalsContact C-N 3.34Å; S276-M278 PolarHBondContact O-N 3Å; S276-W279 PolarHBondContact O-N 3.05Å; S276-R280 WeakPolarHBondContact O-CB 3.31Å; S276-R280 VanDerWaalsContact O-CG 3.28Å; S276-R280 WeakPolarHBondContact O-CG 3.48Å; S276-R280 PolarHBondContact O-N 3.34Å; S276-N399 WeakPolarHBondContact CA-OD1 3.4Å; S276-N399 WeakPolarHBondContact CB-OD1 3.07Å; S276-N399 PolarHBondContact OG-OD1 2.87Å
277M92.9Very high93.7Very high36 Ų3674.3 Ų74.318%0.17734%0.344CS..Hα-helixtrans-64.6-35.4177.6-71.8-58.6-70.500113.2P250 V273 V274 K275 K281P250-M277 HydrophobicContact CG-CE 4.18Å; P250-M277 HydrophobicContact CG-CG 4.14Å; P250-M277 HydrophobicContact CG-SD 3.66Å; V273-M277 HydrophobicContact CG1-CG 4.18Å; V273-M277 WeakPolarHBondContact O-CB 3.36Å; V273-M277 WeakPolarHBondContact O-CG 3.47Å; V273-M277 PolarHBondContact O-N 3.3Å; V274-M277 PolarHBondContact O-N 3.22Å; K275-M277 PolarHBondContact O-N 3.44Å; M277-K281 WeakPolarHBondContact O-CG 3.44Å; M277-K281 PolarHBondContact O-N 3.02Å
278M92.8Very high93.9Very high128 Ų12870.9 Ų70.963%0.63133%0.325SS*.Hα-helixtrans-65.6-46.4171.9-71.7-178.4173.100111.1V274 K275 S276 R280 K281 Q282V274-M278 HydrophobicContact CG1-CE 4.03Å; V274-M278 HydrophobicContact CG1-SD 4.47Å; V274-M278 WeakPolarHBondContact O-CG 3.3Å; V274-M278 PolarHBondContact O-N 3.08Å; K275-M278 PolarHBondContact O-N 2.84Å; S276-M278 VanDerWaalsContact C-N 3.34Å; S276-M278 PolarHBondContact O-N 3Å; M278-R280 PolarHBondContact O-N 3.29Å; M278-K281 PolarHBondContact O-N 2.99Å; M278-Q282 PolarHBondContact O-N 2.6Å
279W95.1Very high94Very high35 Ų3569.1 Ų69.113%0.13332%0.324CS..Hα-helixtrans-61.1-43.1177.9173.990.9000112.3K275 S276 K281 Q282 H283 V285 L343 I395 N399 Y400K275-W279 PolarHBondContact O-N 3.44Å; S276-W279 PolarHBondContact O-N 3.05Å; W279-K281 VanDerWaalsContact C-N 3.32Å; W279-K281 PolarHBondContact O-N 2.81Å; W279-Q282 PolarHBondContact O-N 3.43Å; W279-H283 AromaticContact CD1-CE1 3.34Å; W279-H283 AromaticContact CD1-ND1 3.39Å; W279-H283 AromaticContact CD2-ND1 4Å; W279-H283 AromaticContact CE2-ND1 3.71Å; W279-H283 AromaticContact CG-ND1 3.79Å; W279-H283 AromaticContact NE1-CE1 3.28Å; W279-H283 PolarHBondContact NE1-CE1 3Å; W279-H283 VanDerWaalsContact NE1-CE1 3.28Å; W279-H283 AromaticContact NE1-ND1 3.31Å; W279-H283 PolarHBondContact NE1-ND1 2.87Å; W279-H283 AromaticContact NE1-NE2 3.95Å; W279-H283 PolarHBondContact O-N 2.83Å; W279-H283 PolarHBondContact O-ND1 3.38Å; W279-V285 HydrophobicContact CE3-CG2 4.28Å; W279-V285 HydrophobicContact CH2-CG2 3.83Å; W279-V285 HydrophobicContact CZ3-CG1 4.5Å; W279-V285 HydrophobicContact CZ3-CG2 3.68Å; W279-L343 HydrophobicContact CH2-CD1 4.13Å; W279-L343 HydrophobicContact CH2-CD2 3.56Å; W279-L343 HydrophobicContact CH2-CG 4.5Å; W279-L343 HydrophobicContact CZ2-CD1 4.31Å; W279-L343 HydrophobicContact CZ2-CD2 4.1Å; W279-I395 HydrophobicContact CH2-CG2 4.05Å; W279-I395 HydrophobicContact CZ2-CG2 3.59Å; W279-N399 HydrophobicContact CE3-CB 3.89Å; W279-N399 HydrophobicContact CH2-CB 4.22Å; W279-N399 HydrophobicContact CZ3-CB 3.68Å; W279-Y400 HydrophobicContact CH2-CE2 4.32Å; W279-Y400 HydrophobicContact CZ3-CE2 4.41Å
280R94.8Very high94Very high17 Ų1773.9 Ų73.96%0.06436%0.358CS..Hα-helixtrans-60-40.9176.8-72.9-178.276.185.11.3112.2S276 M278 N284 V285 D286 E347S276-R280 WeakPolarHBondContact O-CB 3.31Å; S276-R280 VanDerWaalsContact O-CG 3.28Å; S276-R280 WeakPolarHBondContact O-CG 3.48Å; S276-R280 PolarHBondContact O-N 3.34Å; M278-R280 PolarHBondContact O-N 3.29Å; R280-N284 PolarHBondContact O-N 3.08Å; R280-V285 HydrophobicContact CB-CB 4.21Å; R280-V285 HydrophobicContact CB-CG2 4.42Å; R280-V285 HydrophobicContact CG-CB 4.22Å; R280-V285 HydrophobicContact CG-CG2 4.44Å; R280-V285 PolarHBondContact O-N 2.76Å; R280-D286 IonicContact CZ-OD1 3.6Å; R280-D286 IonicContact NE-OD1 2.67Å; R280-D286 PolarHBondContact NE-OD1 3.12Å; R280-D286 IonicContact NH2-OD1 2.84Å; R280-D286 PolarHBondContact NH2-OD1 2.98Å; R280-E347 IonicContact CZ-OE1 2.69Å; R280-E347 VanDerWaalsContact CZ-OE1 3.24Å; R280-E347 IonicContact CZ-OE2 3.26Å; R280-E347 IonicContact NH1-OE1 3.5Å; R280-E347 PolarHBondContact NH1-OE1 3.42Å; R280-E347 IonicContact NH1-OE2 3.7Å; R280-E347 IonicContact NH2-OE1 2.97Å; R280-E347 PolarHBondContact NH2-OE1 3.2Å; R280-E347 IonicContact NH2-OE2 3.71Å; R280-E347 PolarHBondContact NH2-OE2 3.04Å
281K92.4Very high94Very high121 Ų12176 Ų7653%0.52637%0.374SS..Hα-helixtrans-65.6-45.1175-72.6173.3-174.1174.20111.4M277 M278 W279 H283 N284M277-K281 WeakPolarHBondContact O-CG 3.44Å; M277-K281 PolarHBondContact O-N 3.02Å; M278-K281 PolarHBondContact O-N 2.99Å; W279-K281 VanDerWaalsContact C-N 3.32Å; W279-K281 PolarHBondContact O-N 2.81Å; K281-H283 VanDerWaalsContact C-N 3.27Å; K281-H283 PolarHBondContact O-N 2.95Å; K281-N284 PolarHBondContact O-N 2.66Å
282Q93.3Very high94Very high149 Ų14970.8 Ų70.870%0.69635%0.349SS*.Hα-helixtrans-60.6-37.1179.6-178178.7-4.400112.4M278 W279M278-Q282 PolarHBondContact O-N 2.6Å; W279-Q282 PolarHBondContact O-N 3.43Å
283H91.9Very high93.8Very high88 Ų8875.3 Ų75.341%0.40737%0.373SS..THydrogen-bonded Turntrans-100.68-176.8-60.283.6000113.8W279 K281 V285W279-H283 AromaticContact CD1-CE1 3.34Å; W279-H283 AromaticContact CD1-ND1 3.39Å; W279-H283 AromaticContact CD2-ND1 4Å; W279-H283 AromaticContact CE2-ND1 3.71Å; W279-H283 AromaticContact CG-ND1 3.79Å; W279-H283 AromaticContact NE1-CE1 3.28Å; W279-H283 PolarHBondContact NE1-CE1 3Å; W279-H283 VanDerWaalsContact NE1-CE1 3.28Å; W279-H283 AromaticContact NE1-ND1 3.31Å; W279-H283 PolarHBondContact NE1-ND1 2.87Å; W279-H283 AromaticContact NE1-NE2 3.95Å; W279-H283 PolarHBondContact O-N 2.83Å; W279-H283 PolarHBondContact O-ND1 3.38Å; K281-H283 VanDerWaalsContact C-N 3.27Å; K281-H283 PolarHBondContact O-N 2.95Å; H283-V285 HydrophobicContact CB-CG2 3.8Å; H283-V285 PolarHBondContact O-N 2.8Å
284N92.9Very high93.8Very high113 Ų11379 Ų7960%0.60440%0.396SS*.THydrogen-bonded Turntrans51.435.8-178.3-67.8-48.6000114.6R280 K281 D286 R287R280-N284 PolarHBondContact O-N 3.08Å; K281-N284 PolarHBondContact O-N 2.66Å; N284-D286 VanDerWaalsContact C-N 3.35Å; N284-D286 PolarHBondContact O-N 2.76Å; N284-R287 PolarHBondContact O-N 3.15Å
285V95.1Very high93.7Very high0 Ų079 Ų790%040%0.397CS..G310 helixtrans-63.6-39-171.5-176.30000112.1W279 R280 H283 R287 I288 L343 E347 Y400W279-V285 HydrophobicContact CE3-CG2 4.28Å; W279-V285 HydrophobicContact CH2-CG2 3.83Å; W279-V285 HydrophobicContact CZ3-CG1 4.5Å; W279-V285 HydrophobicContact CZ3-CG2 3.68Å; R280-V285 HydrophobicContact CB-CB 4.21Å; R280-V285 HydrophobicContact CB-CG2 4.42Å; R280-V285 HydrophobicContact CG-CB 4.22Å; R280-V285 HydrophobicContact CG-CG2 4.44Å; R280-V285 PolarHBondContact O-N 2.76Å; H283-V285 HydrophobicContact CB-CG2 3.8Å; H283-V285 PolarHBondContact O-N 2.8Å; V285-R287 PolarHBondContact O-N 3.01Å; V285-I288 VanDerWaalsContact O-CB 3.32Å; V285-I288 WeakPolarHBondContact O-CB 3.31Å; V285-I288 VanDerWaalsContact O-CG2 3.24Å; V285-I288 WeakPolarHBondContact O-CG2 3.47Å; V285-I288 PolarHBondContact O-N 2.92Å; V285-L343 HydrophobicContact CG2-CD1 4.2Å; V285-E347 HydrophobicContact CG1-CG 3.89Å; V285-Y400 WeakPolarHBondContact CG1-OH 3.48Å
286D92.2Very high93.7Very high94 Ų9477.5 Ų77.550%0.50340%0.398SS..G310 helixtrans-61.4-14.4-177.9-68.4-13.8000114.3R280 N284R280-D286 IonicContact CZ-OD1 3.6Å; R280-D286 IonicContact NE-OD1 2.67Å; R280-D286 PolarHBondContact NE-OD1 3.12Å; R280-D286 IonicContact NH2-OD1 2.84Å; R280-D286 PolarHBondContact NH2-OD1 2.98Å; N284-D286 VanDerWaalsContact C-N 3.35Å; N284-D286 PolarHBondContact O-N 2.76Å
287R94Very high93.6Very high172 Ų17277.9 Ų77.965%0.64940%0.4SS*.G310 helixtrans-105.8-1.5177.5-65.1-174.9175.9-173.5-1.1112.8N284 V285 L289 S290 T291N284-R287 PolarHBondContact O-N 3.15Å; V285-R287 PolarHBondContact O-N 3.01Å; R287-L289 VanDerWaalsContact C-N 3.32Å; R287-L289 PolarHBondContact O-N 2.97Å; R287-S290 PolarHBondContact O-N 2.96Å; R287-S290 PolarHBondContact O-OG 3.36Å; R287-T291 HydrophobicContact CB-CG2 4.01Å; R287-T291 WeakPolarHBondContact O-CG2 3.42Å; R287-T291 PolarHBondContact O-N 3.15Å; R287-T291 PolarHBondContact O-OG1 3.25Å
288I95.8Very high93.8Very high13 Ų1376.6 Ų76.67%0.06739%0.393CS..Hα-helixtrans-60-42.2-167.5-159.5164.8000112.3V285 S290 T291 Y292 K340 L343 N344 E347V285-I288 VanDerWaalsContact O-CB 3.32Å; V285-I288 WeakPolarHBondContact O-CB 3.31Å; V285-I288 VanDerWaalsContact O-CG2 3.24Å; V285-I288 WeakPolarHBondContact O-CG2 3.47Å; V285-I288 PolarHBondContact O-N 2.92Å; I288-S290 PolarHBondContact O-N 3.27Å; I288-S290 VanDerWaalsContact O-N 3.15Å; I288-T291 PolarHBondContact O-N 3.39Å; I288-T291 VanDerWaalsContact O-N 3.12Å; I288-Y292 WeakPolarHBondContact O-CB 3.43Å; I288-Y292 PolarHBondContact O-N 3.09Å; I288-K340 WeakPolarHBondContact CD1-O 3.35Å; I288-L343 HydrophobicContact CD1-CB 3.42Å; I288-L343 VanDerWaalsContact CD1-CB 3.42Å; I288-L343 HydrophobicContact CD1-CD1 4.45Å; I288-N344 HydrophobicContact CD1-CB 4.35Å; I288-N344 HydrophobicContact CG1-CB 4.41Å; I288-E347 HydrophobicContact CG2-CB 3.82Å; I288-E347 HydrophobicContact CG2-CG 3.56Å
289L94.9Very high93.8Very high87 Ų8772.9 Ų72.946%0.45538%0.383SS..Hα-helixtrans-62.2-24.2179.3-64.2-178.4000113.9R287 E347 E348R287-L289 VanDerWaalsContact C-N 3.32Å; R287-L289 PolarHBondContact O-N 2.97Å; L289-E347 HydrophobicContact CD1-CB 4.18Å; L289-E347 HydrophobicContact CD2-CB 3.93Å; L289-E347 HydrophobicContact CG-CB 3.9Å; L289-E348 HydrophobicContact CD2-CB 4.04Å
290S95.1Very high93.8Very high101 Ų10175.5 Ų75.571%0.70640%0.4SS*.Hα-helixtrans-99.4-17.6176.8620000113.7R287 I288R287-S290 PolarHBondContact O-N 2.96Å; R287-S290 PolarHBondContact O-OG 3.36Å; I288-S290 PolarHBondContact O-N 3.27Å; I288-S290 VanDerWaalsContact O-N 3.15Å
291T93.4Very high93.8Very high89 Ų8977.4 Ų77.455%0.54641%0.407SS..Hα-helixtrans-108.4-21.8-176.660.50000114.5R287 I288 N293R287-T291 HydrophobicContact CB-CG2 4.01Å; R287-T291 WeakPolarHBondContact O-CG2 3.42Å; R287-T291 PolarHBondContact O-N 3.15Å; R287-T291 PolarHBondContact O-OG1 3.25Å; I288-T291 PolarHBondContact O-N 3.39Å; I288-T291 VanDerWaalsContact O-N 3.12Å; T291-N293 PolarHBondContact O-N 3.14Å
292Y93.8Very high94Very high31 Ų3172.9 Ų72.912%0.12239%0.388CS..  trans-82.4113.7-178178.9-102000110I288 P295 K340 H341 N344I288-Y292 WeakPolarHBondContact O-CB 3.43Å; I288-Y292 PolarHBondContact O-N 3.09Å; Y292-P295 VanDerWaalsContact OH-CD 3.29Å; Y292-P295 WeakPolarHBondContact OH-CD 3.32Å; Y292-K340 HydrophobicContact CD2-CB 4.16Å; Y292-K340 HydrophobicContact CE2-CB 3.98Å; Y292-H341 WeakPolarHBondContact OH-CB 3.48Å; Y292-H341 PolarHBondContact OH-ND1 2.89Å; Y292-H341 VanDerWaalsContact OH-ND1 3.1Å; Y292-N344 HydrophobicContact CD1-CB 3.64Å; Y292-N344 HydrophobicContact CE1-CB 3.92Å; Y292-N344 HydrophobicContact CG-CB 4.07Å
293N92.4Very high94.1Very high140 Ų14065.8 Ų65.875%0.74936%0.355SS*.PPolyproline II helixtrans-96.1120.3168.5-65.6-40.2000108.1T291 P295T291-N293 PolarHBondContact O-N 3.14Å; N293-P295 WeakPolarHBondContact O-CD 3.42Å; N293-P295 VanDerWaalsContact O-N 3.13Å
294T93.3Very high94.3Very high79 Ų7962.3 Ų62.349%0.48534%0.343SS..PPolyproline II helixtrans-58.6116.2179.9-61.50000109.6F298 A299T294-F298 HydrophobicContact CG2-CB 3.79Å; T294-A299 HydrophobicContact CG2-CB 4.3Å
295P93.2Very high94.5Very high41 Ų4159.2 Ų59.227%0.26632%0.324SS..PPolyproline II helixtrans-62.3149.4176.8-21.732.9000111.3Y292 N293 V297 F298 A299Y292-P295 VanDerWaalsContact OH-CD 3.29Å; Y292-P295 WeakPolarHBondContact OH-CD 3.32Å; N293-P295 WeakPolarHBondContact O-CD 3.42Å; N293-P295 VanDerWaalsContact O-N 3.13Å; P295-V297 PolarHBondContact O-N 2.87Å; P295-V297 VanDerWaalsContact O-N 3.14Å; P295-F298 HydrophobicContact CB-CD2 4.13Å; P295-F298 HydrophobicContact CG-CD2 3.85Å; P295-F298 HydrophobicContact CG-CE2 4.38Å; P295-F298 WeakPolarHBondContact O-CA 3.25Å; P295-F298 PolarHBondContact O-N 3.49Å; P295-A299 PolarHBondContact O-N 3.45Å
296V92.6Very high94.5Very high90 Ų9060.8 Ų60.855%0.54533%0.33SS..Hα-helixtrans-51.3-40.4178.1178.90000111.8F298 A299 D300V296-F298 VanDerWaalsContact C-N 3.27Å; V296-F298 PolarHBondContact O-N 3.2Å; V296-A299 PolarHBondContact O-N 3.27Å; V296-A299 VanDerWaalsContact O-N 3.15Å; V296-D300 WeakPolarHBondContact CG1-OD2 3.42Å; V296-D300 WeakPolarHBondContact O-CB 3.25Å; V296-D300 PolarHBondContact O-N 2.96Å
297V94.8Very high94.7Very high12 Ų1258.2 Ų58.27%0.07332%0.315CS..Hα-helixtrans-55.3-42176.4179.90000112P295 Y301 L329 A332 V333 I473 L477P295-V297 PolarHBondContact O-N 2.87Å; P295-V297 VanDerWaalsContact O-N 3.14Å; V297-Y301 WeakPolarHBondContact O-CB 3.4Å; V297-Y301 PolarHBondContact O-N 3.18Å; V297-Y301 VanDerWaalsContact O-N 3.15Å; V297-L329 HydrophobicContact CG1-CD1 3.79Å; V297-A332 HydrophobicContact CB-CB 4.49Å; V297-A332 HydrophobicContact CG1-CB 3.91Å; V297-A332 HydrophobicContact CG2-CB 3.87Å; V297-V333 HydrophobicContact CB-CG1 4.22Å; V297-V333 HydrophobicContact CG1-CG1 4.42Å; V297-V333 HydrophobicContact CG2-CG1 4.41Å; V297-I473 HydrophobicContact CG1-CD1 3.68Å; V297-I473 HydrophobicContact CG1-CG1 4.22Å; V297-I473 HydrophobicContact CG1-CG2 4.19Å; V297-L477 HydrophobicContact CG2-CB 4.22Å; V297-L477 HydrophobicContact CG2-CD1 4.17Å
298F95.2Very high94.7Very high8 Ų852.1 Ų52.14%0.03530%0.295CS..Hα-helixtrans-75.1-41.6176.9-77.1-79.6000111.9T294 P295 V296 D300 F302 L329 V333 H341T294-F298 HydrophobicContact CG2-CB 3.79Å; P295-F298 HydrophobicContact CB-CD2 4.13Å; P295-F298 HydrophobicContact CG-CD2 3.85Å; P295-F298 HydrophobicContact CG-CE2 4.38Å; P295-F298 WeakPolarHBondContact O-CA 3.25Å; P295-F298 PolarHBondContact O-N 3.49Å; V296-F298 VanDerWaalsContact C-N 3.27Å; V296-F298 PolarHBondContact O-N 3.2Å; F298-D300 VanDerWaalsContact C-N 3.31Å; F298-D300 PolarHBondContact O-N 3.09Å; F298-F302 HydrophobicContact CB-CB 4.28Å; F298-F302 HydrophobicContact CD1-CB 3.81Å; F298-F302 AromaticContact CD1-CD2 3.68Å; F298-F302 HydrophobicContact CD1-CD2 3.68Å; F298-F302 HydrophobicContact CD1-CE2 4.38Å; F298-F302 AromaticContact CD1-CG 3.76Å; F298-F302 HydrophobicContact CD1-CG 3.76Å; F298-F302 AromaticContact CE1-CD2 3.83Å; F298-F302 HydrophobicContact CE1-CD2 3.83Å; F298-F302 HydrophobicContact CE1-CE2 4.18Å; F298-F302 HydrophobicContact CE1-CG 4.36Å; F298-F302 WeakPolarHBondContact O-CB 3.11Å; F298-F302 PolarHBondContact O-N 3.22Å; F298-F302 VanDerWaalsContact O-N 3.16Å; F298-L329 HydrophobicContact CD1-CD1 4.21Å; F298-L329 HydrophobicContact CE1-CD1 3.74Å; F298-L329 HydrophobicContact CE1-CD2 3.86Å; F298-L329 HydrophobicContact CE1-CG 4.31Å; F298-L329 HydrophobicContact CE2-CD1 4.17Å; F298-L329 HydrophobicContact CZ-CD1 3.72Å; F298-L329 HydrophobicContact CZ-CD2 4.13Å; F298-L329 HydrophobicContact CZ-CG 4.22Å; F298-V333 HydrophobicContact CD2-CG1 4.41Å; F298-V333 HydrophobicContact CE2-CB 4.23Å; F298-V333 HydrophobicContact CE2-CG1 3.98Å; F298-V333 HydrophobicContact CE2-CG2 3.75Å; F298-V333 HydrophobicContact CZ-CG2 3.93Å; F298-H341 HydrophobicContact CD1-CB 4.11Å; F298-H341 AromaticContact CD1-CD2 3.73Å; F298-H341 AromaticContact CD1-CE1 3.57Å; F298-H341 AromaticContact CD1-CG 3.47Å; F298-H341 VanDerWaalsContact CD1-CG 3.47Å; F298-H341 AromaticContact CD1-ND1 3.38Å; F298-H341 WeakPolarHBondContact CD1-ND1 3.33Å; F298-H341 AromaticContact CD1-NE2 3.8Å; F298-H341 HydrophobicContact CD2-CB 4.49Å; F298-H341 HydrophobicContact CE1-CB 3.55Å; F298-H341 AromaticContact CE1-CD2 3.54Å; F298-H341 AromaticContact CE1-CG 3.31Å; F298-H341 AromaticContact CE1-ND1 3.74Å; F298-H341 HydrophobicContact CE2-CB 3.94Å; F298-H341 AromaticContact CG-ND1 3.65Å; F298-H341 HydrophobicContact CZ-CB 3.45Å; F298-H341 VanDerWaalsContact CZ-CB 3.45Å; F298-H341 AromaticContact CZ-CG 3.77Å
299A93.6Very high94.8Very high50 Ų5053.8 Ų53.841%0.41330%0.301SS..Hα-helixtrans-61.1-40.1-179.500000112.6T294 P295 V296 P469T294-A299 HydrophobicContact CG2-CB 4.3Å; P295-A299 PolarHBondContact O-N 3.45Å; V296-A299 PolarHBondContact O-N 3.27Å; V296-A299 VanDerWaalsContact O-N 3.15Å; A299-P469 WeakPolarHBondContact O-CG 3.47Å
300D94.3Very high94.8Very high90 Ų9050.1 Ų50.148%0.48128%0.282SS..Hα-helixtrans-100.8-19.1-169.2-64.2-8.6000113.7V296 F298 P469V296-D300 WeakPolarHBondContact CG1-OD2 3.42Å; V296-D300 WeakPolarHBondContact O-CB 3.25Å; V296-D300 PolarHBondContact O-N 2.96Å; F298-D300 VanDerWaalsContact C-N 3.31Å; F298-D300 PolarHBondContact O-N 3.09Å; D300-P469 VanDerWaalsContact O-CB 3.28Å; D300-P469 WeakPolarHBondContact O-CB 3.19Å
301Y95.5Very high94.8Very high58 Ų5849.7 Ų49.723%0.22727%0.271CS..Hα-helixtrans-131.6-9.5-173.3-55.9-90.7000114.8V297 P303 I473 P474 L477V297-Y301 WeakPolarHBondContact O-CB 3.4Å; V297-Y301 PolarHBondContact O-N 3.18Å; V297-Y301 VanDerWaalsContact O-N 3.15Å; Y301-P303 WeakPolarHBondContact O-CD 3.33Å; Y301-I473 HydrophobicContact CD1-CG1 4.21Å; Y301-I473 HydrophobicContact CD2-CG1 4.38Å; Y301-I473 HydrophobicContact CG-CG1 3.84Å; Y301-P474 HydrophobicContact CE1-CG 4.32Å; Y301-P474 VanDerWaalsContact CZ-CD 3.46Å; Y301-P474 WeakPolarHBondContact OH-CD 3.39Å; Y301-P474 WeakPolarHBondContact OH-CG 3.2Å; Y301-L477 HydrophobicContact CD2-CD1 4.39Å; Y301-L477 HydrophobicContact CE2-CD1 3.71Å
302F96.4Very high94.9Very high25 Ų2549.9 Ų49.911%0.1127%0.266CS..  trans-82.2120.7179.2-169.6-100.2000111.2F298 G304 Y317 F319 L324 L329 H341F298-F302 HydrophobicContact CB-CB 4.28Å; F298-F302 HydrophobicContact CD1-CB 3.81Å; F298-F302 AromaticContact CD1-CD2 3.68Å; F298-F302 HydrophobicContact CD1-CD2 3.68Å; F298-F302 HydrophobicContact CD1-CE2 4.38Å; F298-F302 AromaticContact CD1-CG 3.76Å; F298-F302 HydrophobicContact CD1-CG 3.76Å; F298-F302 AromaticContact CE1-CD2 3.83Å; F298-F302 HydrophobicContact CE1-CD2 3.83Å; F298-F302 HydrophobicContact CE1-CE2 4.18Å; F298-F302 HydrophobicContact CE1-CG 4.36Å; F298-F302 WeakPolarHBondContact O-CB 3.11Å; F298-F302 PolarHBondContact O-N 3.22Å; F298-F302 VanDerWaalsContact O-N 3.16Å; F302-G304 PolarHBondContact O-N 3.49Å; F302-Y317 WeakPolarHBondContact CE1-OH 3.29Å; F302-F319 HydrophobicContact CE1-CD2 4.28Å; F302-F319 HydrophobicContact CE1-CE2 4.08Å; F302-F319 HydrophobicContact CE2-CE2 4.08Å; F302-F319 HydrophobicContact CZ-CD2 4.2Å; F302-F319 AromaticContact CZ-CE2 3.6Å; F302-F319 HydrophobicContact CZ-CE2 3.6Å; F302-F319 HydrophobicContact CZ-CZ 4.26Å; F302-L324 HydrophobicContact CD2-CD1 3.82Å; F302-L324 HydrophobicContact CE2-CD1 3.87Å; F302-L329 HydrophobicContact CD2-CD2 4.28Å; F302-L329 HydrophobicContact CE2-CD2 4.38Å; F302-H341 AromaticContact CD1-NE2 3.61Å; F302-H341 AromaticContact CE1-NE2 3.39Å; F302-H341 WeakPolarHBondContact CE1-NE2 3.47Å; F302-H341 AromaticContact CZ-NE2 3.76Å
303P96.1Very high95Very high1 Ų148.5 Ų48.51%0.00626%0.261CS..  trans-87.950.8-171.637.8-38000112.4Y301 F319 R320 Q323 L324 I468 P469Y301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-F319 HydrophobicContact CG-CE2 4.35Å; P303-F319 WeakPolarHBondContact O-CA 3.32Å; P303-R320 HydrophobicContact CB-CB 4.13Å; P303-R320 WeakPolarHBondContact CG-O 3.44Å; P303-R320 PolarHBondContact O-N 3.2Å; P303-Q323 HydrophobicContact CB-CB 4.28Å; P303-Q323 HydrophobicContact CG-CB 4.46Å; P303-L324 HydrophobicContact CG-CB 4.06Å; P303-L324 HydrophobicContact CG-CD1 4.21Å; P303-I468 HydrophobicContact CB-CG2 4.28Å; P303-P469 VanDerWaalsContact CA-O 3.27Å; P303-P469 WeakPolarHBondContact CA-O 3.28Å; P303-P469 WeakPolarHBondContact CB-O 3.34Å
304G96.4Very high95.2Very high15 Ų1544 Ų4416%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-145.3139.6-176.100000113.1F302 Y317 I318F302-G304 PolarHBondContact O-N 3.49Å; G304-Y317 VanDerWaalsContact C-OH 3.22Å; G304-Y317 PolarHBondContact O-OH 3.41Å; G304-I318 VanDerWaalsContact CA-O 3.28Å; G304-I318 WeakPolarHBondContact CA-O 3.45Å
305F95.7Very high95.4Very high47 Ų4740.4 Ų40.421%0.20621%0.211CC..EExtended strand (participates in β ladder)trans-159.6155.2-178.566.8-71.9000112.1H307 Y317 I318 V466 I468F305-H307 HydrophobicContact CD2-CB 4.47Å; F305-H307 HydrophobicContact CE2-CB 3.89Å; F305-H307 AromaticContact CE2-ND1 3.78Å; F305-Y317 VanDerWaalsContact C-CD2 3.44Å; F305-Y317 VanDerWaalsContact C-CE2 3.41Å; F305-Y317 WeakPolarHBondContact O-CD2 3.3Å; F305-I318 HydrophobicContact CD1-CB 4.31Å; F305-I318 HydrophobicContact CE1-CB 3.56Å; F305-I318 HydrophobicContact CE1-CG2 3.66Å; F305-I318 HydrophobicContact CE2-CB 4.45Å; F305-I318 HydrophobicContact CE2-CD1 4.39Å; F305-I318 HydrophobicContact CZ-CB 3.65Å; F305-I318 HydrophobicContact CZ-CD1 3.8Å; F305-I318 HydrophobicContact CZ-CG1 4.14Å; F305-I318 HydrophobicContact CZ-CG2 3.94Å; F305-I318 PolarHBondContact N-O 2.75Å; F305-I318 PolarHBondContact O-N 3.36Å; F305-V466 HydrophobicContact CE1-CG1 3.87Å; F305-V466 HydrophobicContact CE2-CG1 3.72Å; F305-V466 HydrophobicContact CZ-CB 4.47Å; F305-V466 HydrophobicContact CZ-CG1 3.27Å; F305-I468 HydrophobicContact CD1-CD1 4.2Å; F305-I468 HydrophobicContact CD1-CG1 3.98Å; F305-I468 HydrophobicContact CD1-CG2 4.12Å; F305-I468 HydrophobicContact CE1-CD1 3.34Å; F305-I468 HydrophobicContact CE1-CG1 3.47Å; F305-I468 VanDerWaalsContact CE1-CG1 3.47Å; F305-I468 HydrophobicContact CE1-CG2 4.3Å; F305-I468 HydrophobicContact CZ-CD1 4.05Å; F305-I468 HydrophobicContact CZ-CG1 4.15Å
306W96.8Very high95.7Very high34 Ų3438.5 Ų38.513%0.12920%0.199CC..EExtended strand (participates in β ladder)trans-75.9127.6168.6-67.4103000110.1P315 Y317 F345 E348 G349 R352 W367W306-P315 HydrophobicContact CE3-CB 4.08Å; W306-P315 HydrophobicContact CZ3-CB 3.84Å; W306-Y317 HydrophobicContact CB-CD2 4.45Å; W306-Y317 AromaticContact CD2-CD2 3.49Å; W306-Y317 HydrophobicContact CD2-CD2 3.49Å; W306-Y317 VanDerWaalsContact CD2-CD2 3.49Å; W306-Y317 HydrophobicContact CD2-CE2 4.22Å; W306-Y317 HydrophobicContact CD2-CG 4.47Å; W306-Y317 AromaticContact CE2-CD2 3.61Å; W306-Y317 AromaticContact CE3-CD2 3.83Å; W306-Y317 HydrophobicContact CE3-CD2 3.83Å; W306-Y317 HydrophobicContact CE3-CG 4.4Å; W306-Y317 AromaticContact CG-CD2 3.77Å; W306-Y317 HydrophobicContact CG-CD2 3.77Å; W306-Y317 HydrophobicContact CG-CE2 4.17Å; W306-Y317 HydrophobicContact CH2-CD2 4.33Å; W306-Y317 HydrophobicContact CZ2-CD2 4.05Å; W306-Y317 HydrophobicContact CZ3-CD2 4.23Å; W306-Y317 AromaticContact NE1-CD2 3.95Å; W306-Y317 AromaticContact NE1-CE2 3.95Å; W306-F345 HydrophobicContact CH2-CD2 4.18Å; W306-F345 AromaticContact CH2-CE2 3.61Å; W306-F345 HydrophobicContact CH2-CE2 3.61Å; W306-F345 HydrophobicContact CH2-CZ 4.3Å; W306-F345 AromaticContact CZ2-CD2 3.51Å; W306-F345 HydrophobicContact CZ2-CD2 3.51Å; W306-F345 AromaticContact CZ2-CE2 3.44Å; W306-F345 HydrophobicContact CZ2-CE2 3.44Å; W306-F345 VanDerWaalsContact CZ2-CE2 3.44Å; W306-F345 HydrophobicContact CZ2-CZ 4.41Å; W306-F345 WeakPolarHBondContact CZ2-O 3.48Å; W306-F345 HydrophobicContact CZ3-CE2 4.48Å; W306-E348 PolarHBondContact NE1-OE1 2.99Å; W306-E348 PolarHBondContact NE1-OE2 3.39Å; W306-G349 VanDerWaalsContact CZ2-CA 3.42Å; W306-R352 VanDerWaalsContact CB-CZ 3.47Å; W306-W367 HydrophobicContact CH2-CB 4.25Å; W306-W367 HydrophobicContact CH2-CD2 4.29Å; W306-W367 HydrophobicContact CH2-CG 4.12Å; W306-W367 HydrophobicContact CZ3-CB 4.04Å; W306-W367 HydrophobicContact CZ3-CG 4.36Å
307H95Very high95.9Very high39 Ų3935 Ų3518%0.18118%0.176CC..EExtended strand (participates in β ladder)trans-105.1-148177.6-164.544.2000110.4F305 L316 I318 W455F305-H307 HydrophobicContact CD2-CB 4.47Å; F305-H307 HydrophobicContact CE2-CB 3.89Å; F305-H307 AromaticContact CE2-ND1 3.78Å; H307-L316 PolarHBondContact N-O 2.9Å; H307-I318 HydrophobicContact CB-CD1 3.71Å; H307-I318 HydrophobicContact CB-CG1 3.91Å; H307-W455 PolarHBondContact NE2-O 3.08Å
308N95.1Very high96Very high45 Ų4534.5 Ų34.524%0.24117%0.173CC..EExtended strand (participates in β ladder)trans-76-155.6175.9-146.6-71.5000112L316 W455N308-L316 WeakPolarHBondContact O-CB 3.4Å; N308-L316 PolarHBondContact O-N 3.3Å; N308-W455 HydrophobicContact CB-CB 4.48Å; N308-W455 HydrophobicContact CB-CD2 4.01Å; N308-W455 HydrophobicContact CB-CE3 4.46Å; N308-W455 HydrophobicContact CB-CG 3.99Å; N308-W455 WeakPolarHBondContact ND2-CZ2 3.3Å
309Y96.8Very high96.1Very high48 Ų4835.6 Ų35.619%0.18818%0.178CC..EExtended strand (participates in β ladder)trans-102.3154173.4-55.6-83.7000111.2G313 R314 P315 A356 F360Y309-G313 WeakPolarHBondContact CD1-O 3.38Å; Y309-R314 CarbonylContact C-O 3.42Å; Y309-R314 VanDerWaalsContact CA-O 3.24Å; Y309-R314 WeakPolarHBondContact CA-O 3.47Å; Y309-P315 HydrophobicContact CD1-CG 4.39Å; Y309-P315 HydrophobicContact CE1-CG 4.19Å; Y309-A356 HydrophobicContact CD1-CB 4.28Å; Y309-A356 HydrophobicContact CE1-CB 3.77Å; Y309-F360 AromaticContact CD1-CE2 3.75Å; Y309-F360 HydrophobicContact CD1-CE2 3.75Å; Y309-F360 HydrophobicContact CD1-CZ 4.33Å; Y309-F360 AromaticContact CD2-CE2 3.91Å; Y309-F360 HydrophobicContact CD2-CE2 3.91Å; Y309-F360 AromaticContact CD2-CZ 3.75Å; Y309-F360 HydrophobicContact CD2-CZ 3.75Å; Y309-F360 HydrophobicContact CE1-CE2 4.07Å; Y309-F360 HydrophobicContact CE2-CE2 4.2Å; Y309-F360 HydrophobicContact CE2-CZ 4.28Å; Y309-F360 AromaticContact CG-CE2 3.67Å; Y309-F360 HydrophobicContact CG-CE2 3.67Å; Y309-F360 AromaticContact CG-CZ 3.77Å; Y309-F360 HydrophobicContact CG-CZ 3.77Å
310D96Very high96.2Very high10 Ų1035.4 Ų35.45%0.05317%0.166CC..  trans-74.1174.2165.181.80.9000110.7E312 G313 R314 T368 Y450D310-E312 PolarHBondContact O-N 2.77Å; D310-E312 VanDerWaalsContact OD1-C 3.31Å; D310-E312 VanDerWaalsContact OD1-CA 3.29Å; D310-E312 WeakPolarHBondContact OD1-CA 3.42Å; D310-E312 WeakPolarHBondContact OD1-CB 3.47Å; D310-E312 PolarHBondContact OD1-N 2.9Å; D310-G313 PolarHBondContact O-N 3.13Å; D310-G313 PolarHBondContact OD1-N 3.27Å; D310-R314 PolarHBondContact N-O 3.31Å; D310-R314 WeakPolarHBondContact OD1-CB 3.5Å; D310-R314 PolarHBondContact OD1-N 2.99Å; D310-R314 WeakPolarHBondContact OD2-CB 3.23Å; D310-R314 WeakPolarHBondContact OD2-CD 3.19Å; D310-T368 PolarHBondContact OD2-OG1 2.86Å; D310-Y450 CarbonylContact C-O 3.59Å; D310-Y450 VanDerWaalsContact CA-O 3.31Å; D310-Y450 WeakPolarHBondContact CA-O 3.29Å; D310-Y450 WeakPolarHBondContact CB-O 2.91Å
311L95.5Very high96.3Very high92 Ų9232.7 Ų32.748%0.48215%0.152SC..THydrogen-bonded Turntrans-64.2-20.2-179.5-68.2177.7000113G313 Y450 E452L311-G313 VanDerWaalsContact C-N 3.3Å; L311-Y450 PolarHBondContact N-O 2.94Å; L311-E452 HydrophobicContact CD2-CG 3.8Å
312E94.2Very high96Very high92 Ų9230 Ų3043%0.4314%0.141SC..THydrogen-bonded Turntrans-85.5-2.6173.6-65.2-169.9-118.700112.4D310 R314 K362 I364D310-E312 PolarHBondContact O-N 2.77Å; D310-E312 VanDerWaalsContact OD1-C 3.31Å; D310-E312 VanDerWaalsContact OD1-CA 3.29Å; D310-E312 WeakPolarHBondContact OD1-CA 3.42Å; D310-E312 WeakPolarHBondContact OD1-CB 3.47Å; D310-E312 PolarHBondContact OD1-N 2.9Å; E312-R314 HydrophobicContact CB-CG 4.19Å; E312-R314 IonicContact OE1-CZ 2.79Å; E312-R314 IonicContact OE1-NH1 3.84Å; E312-R314 PolarHBondContact OE1-NH1 3.38Å; E312-R314 IonicContact OE1-NH2 3.26Å; E312-R314 PolarHBondContact OE1-NH2 3.07Å; E312-R314 IonicContact OE2-CZ 2.58Å; E312-R314 IonicContact OE2-NE 2.86Å; E312-R314 IonicContact OE2-NH1 2.57Å; E312-R314 IonicContact OE2-NH2 2.65Å; E312-R314 PolarHBondContact OE2-NH2 3.27Å; E312-K362 WeakPolarHBondContact O-CE 3.41Å; E312-K362 PolarHBondContact O-NZ 2.7Å; E312-I364 VanDerWaalsContact O-CD1 3.25Å; E312-I364 WeakPolarHBondContact O-CD1 3.21Å
313G95.5Very high95.8Very high2 Ų231.6 Ų31.62%0.02115%0.149CC..SBendtrans82.910.8-178.200000113.5Y309 D310 L311 A356 F360Y309-G313 WeakPolarHBondContact CD1-O 3.38Å; D310-G313 PolarHBondContact O-N 3.13Å; D310-G313 PolarHBondContact OD1-N 3.27Å; L311-G313 VanDerWaalsContact C-N 3.3Å; G313-A356 WeakPolarHBondContact O-CB 3.49Å; G313-F360 WeakPolarHBondContact O-CE2 3.45Å
314R97.2Very high95.7Very high46 Ų4632 Ų3217%0.17415%0.151CC..PPolyproline II helixtrans-77.8137.9177.6-54.6178-176145.3-1.8109.6Y309 D310 E312 L316 I364 A366 S406Y309-R314 CarbonylContact C-O 3.42Å; Y309-R314 VanDerWaalsContact CA-O 3.24Å; Y309-R314 WeakPolarHBondContact CA-O 3.47Å; D310-R314 PolarHBondContact N-O 3.31Å; D310-R314 WeakPolarHBondContact OD1-CB 3.5Å; D310-R314 PolarHBondContact OD1-N 2.99Å; D310-R314 WeakPolarHBondContact OD2-CB 3.23Å; D310-R314 WeakPolarHBondContact OD2-CD 3.19Å; E312-R314 HydrophobicContact CB-CG 4.19Å; E312-R314 IonicContact OE1-CZ 2.79Å; E312-R314 IonicContact OE1-NH1 3.84Å; E312-R314 PolarHBondContact OE1-NH1 3.38Å; E312-R314 IonicContact OE1-NH2 3.26Å; E312-R314 PolarHBondContact OE1-NH2 3.07Å; E312-R314 IonicContact OE2-CZ 2.58Å; E312-R314 IonicContact OE2-NE 2.86Å; E312-R314 IonicContact OE2-NH1 2.57Å; E312-R314 IonicContact OE2-NH2 2.65Å; E312-R314 PolarHBondContact OE2-NH2 3.27Å; R314-L316 PolarHBondContact O-N 2.94Å; R314-I364 HydrophobicContact CG-CG2 4.39Å; R314-A366 VanDerWaalsContact CB-O 3.3Å; R314-A366 WeakPolarHBondContact CB-O 3.31Å; R314-A366 WeakPolarHBondContact CG-O 3.47Å; R314-S406 PolarHBondContact NH1-OG 2.96Å
315P98.4Very high95.5Very high3 Ų331.8 Ų31.82%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-55.4130.4172.6-23.533.1000110.4W306 Y309 R352 T353 A356 W367 T368W306-P315 HydrophobicContact CE3-CB 4.08Å; W306-P315 HydrophobicContact CZ3-CB 3.84Å; Y309-P315 HydrophobicContact CD1-CG 4.39Å; Y309-P315 HydrophobicContact CE1-CG 4.19Å; P315-R352 HydrophobicContact CB-CB 3.96Å; P315-R352 HydrophobicContact CG-CB 3.64Å; P315-T353 HydrophobicContact CG-CG2 3.91Å; P315-A356 HydrophobicContact CG-CB 4.39Å; P315-W367 HydrophobicContact CB-CB 4.34Å; P315-W367 WeakPolarHBondContact O-CA 3.32Å; P315-W367 VanDerWaalsContact O-CB 3.25Å; P315-W367 WeakPolarHBondContact O-CB 3.48Å; P315-T368 PolarHBondContact O-N 2.86Å
316L97.9Very high95.2Very high2 Ų230.7 Ų30.71%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-98.2123178.8-179.163.6000109.5H307 N308 R314 I318 T368 L370 M451H307-L316 PolarHBondContact N-O 2.9Å; N308-L316 WeakPolarHBondContact O-CB 3.4Å; N308-L316 PolarHBondContact O-N 3.3Å; R314-L316 PolarHBondContact O-N 2.94Å; L316-I318 HydrophobicContact CD2-CD1 4.39Å; L316-I318 HydrophobicContact CD2-CG1 4.35Å; L316-I318 HydrophobicContact CG-CG1 4.2Å; L316-T368 WeakPolarHBondContact CA-O 3.44Å; L316-T368 HydrophobicContact CD1-CG2 3.64Å; L316-L370 HydrophobicContact CD1-CB 4.02Å; L316-M451 HydrophobicContact CD2-CE 3.32Å; L316-M451 HydrophobicContact CD2-SD 4.02Å
317Y98.2Very high94.6Very high16 Ų1629.2 Ų29.26%0.06314%0.136CC..EExtended strand (participates in β ladder)trans-103.6130.2168.5-166.3-92.5000109.5F302 G304 F305 W306 F319 F345 T368 L369 L370F302-Y317 WeakPolarHBondContact CE1-OH 3.29Å; G304-Y317 VanDerWaalsContact C-OH 3.22Å; G304-Y317 PolarHBondContact O-OH 3.41Å; F305-Y317 VanDerWaalsContact C-CD2 3.44Å; F305-Y317 VanDerWaalsContact C-CE2 3.41Å; F305-Y317 WeakPolarHBondContact O-CD2 3.3Å; W306-Y317 HydrophobicContact CB-CD2 4.45Å; W306-Y317 AromaticContact CD2-CD2 3.49Å; W306-Y317 HydrophobicContact CD2-CD2 3.49Å; W306-Y317 VanDerWaalsContact CD2-CD2 3.49Å; W306-Y317 HydrophobicContact CD2-CE2 4.22Å; W306-Y317 HydrophobicContact CD2-CG 4.47Å; W306-Y317 AromaticContact CE2-CD2 3.61Å; W306-Y317 AromaticContact CE3-CD2 3.83Å; W306-Y317 HydrophobicContact CE3-CD2 3.83Å; W306-Y317 HydrophobicContact CE3-CG 4.4Å; W306-Y317 AromaticContact CG-CD2 3.77Å; W306-Y317 HydrophobicContact CG-CD2 3.77Å; W306-Y317 HydrophobicContact CG-CE2 4.17Å; W306-Y317 HydrophobicContact CH2-CD2 4.33Å; W306-Y317 HydrophobicContact CZ2-CD2 4.05Å; W306-Y317 HydrophobicContact CZ3-CD2 4.23Å; W306-Y317 AromaticContact NE1-CD2 3.95Å; W306-Y317 AromaticContact NE1-CE2 3.95Å; Y317-F319 HydrophobicContact CD1-CB 4.08Å; Y317-F319 HydrophobicContact CE1-CB 3.98Å; Y317-F345 AromaticContact CD1-CE2 3.9Å; Y317-F345 HydrophobicContact CD1-CE2 3.9Å; Y317-F345 AromaticContact CD2-CD2 3.77Å; Y317-F345 HydrophobicContact CD2-CD2 3.77Å; Y317-F345 AromaticContact CD2-CE2 3.49Å; Y317-F345 HydrophobicContact CD2-CE2 3.49Å; Y317-F345 VanDerWaalsContact CD2-CE2 3.49Å; Y317-F345 HydrophobicContact CE1-CD2 4.37Å; Y317-F345 HydrophobicContact CE1-CE2 4.19Å; Y317-F345 AromaticContact CE2-CD2 3.62Å; Y317-F345 HydrophobicContact CE2-CD2 3.62Å; Y317-F345 AromaticContact CE2-CE2 3.82Å; Y317-F345 HydrophobicContact CE2-CE2 3.82Å; Y317-F345 HydrophobicContact CG-CD2 4.2Å; Y317-F345 AromaticContact CG-CE2 3.51Å; Y317-F345 HydrophobicContact CG-CE2 3.51Å; Y317-F345 HydrophobicContact CG-CZ 4.41Å; Y317-F345 AromaticContact CZ-CD2 3.93Å; Y317-T368 PolarHBondContact N-O 3.22Å; Y317-L369 HydrophobicContact CD1-CD1 3.45Å; Y317-L369 VanDerWaalsContact CD1-CD1 3.45Å; Y317-L369 HydrophobicContact CE1-CD1 4.43Å; Y317-L369 HydrophobicContact CG-CD1 4.08Å; Y317-L369 WeakPolarHBondContact O-CA 3.28Å; Y317-L370 PolarHBondContact O-N 2.83Å
318I97.4Very high94.3Very high1 Ų127.4 Ų27.41%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-107.7128.8178.4-60.5-175.4000108G304 F305 H307 L316 L370 P457 F459G304-I318 VanDerWaalsContact CA-O 3.28Å; G304-I318 WeakPolarHBondContact CA-O 3.45Å; F305-I318 HydrophobicContact CD1-CB 4.31Å; F305-I318 HydrophobicContact CE1-CB 3.56Å; F305-I318 HydrophobicContact CE1-CG2 3.66Å; F305-I318 HydrophobicContact CE2-CB 4.45Å; F305-I318 HydrophobicContact CE2-CD1 4.39Å; F305-I318 HydrophobicContact CZ-CB 3.65Å; F305-I318 HydrophobicContact CZ-CD1 3.8Å; F305-I318 HydrophobicContact CZ-CG1 4.14Å; F305-I318 HydrophobicContact CZ-CG2 3.94Å; F305-I318 PolarHBondContact N-O 2.75Å; F305-I318 PolarHBondContact O-N 3.36Å; H307-I318 HydrophobicContact CB-CD1 3.71Å; H307-I318 HydrophobicContact CB-CG1 3.91Å; L316-I318 HydrophobicContact CD2-CD1 4.39Å; L316-I318 HydrophobicContact CD2-CG1 4.35Å; L316-I318 HydrophobicContact CG-CG1 4.2Å; I318-L370 WeakPolarHBondContact CA-O 3.45Å; I318-L370 HydrophobicContact CD1-CD2 4.22Å; I318-L370 HydrophobicContact CG1-CB 4.28Å; I318-L370 HydrophobicContact CG1-CD2 4.16Å; I318-P457 HydrophobicContact CD1-CG 3.61Å; I318-F459 HydrophobicContact CG2-CZ 3.93Å
319F97.3Very high94.3Very high31 Ų3125.4 Ų25.414%0.13612%0.117CC..EExtended strand (participates in β ladder)trans-137.5114-175.5179.8-134.9000111.4F302 P303 Y317 L321 L324 L369 L370 V371 D372F302-F319 HydrophobicContact CE1-CD2 4.28Å; F302-F319 HydrophobicContact CE1-CE2 4.08Å; F302-F319 HydrophobicContact CE2-CE2 4.08Å; F302-F319 HydrophobicContact CZ-CD2 4.2Å; F302-F319 AromaticContact CZ-CE2 3.6Å; F302-F319 HydrophobicContact CZ-CE2 3.6Å; F302-F319 HydrophobicContact CZ-CZ 4.26Å; P303-F319 HydrophobicContact CG-CE2 4.35Å; P303-F319 WeakPolarHBondContact O-CA 3.32Å; Y317-F319 HydrophobicContact CD1-CB 4.08Å; Y317-F319 HydrophobicContact CE1-CB 3.98Å; F319-L321 HydrophobicContact CD1-CB 4.1Å; F319-L321 HydrophobicContact CE1-CB 3.77Å; F319-L321 HydrophobicContact CE1-CD1 3.71Å; F319-L321 HydrophobicContact CE1-CG 4.26Å; F319-L321 HydrophobicContact CZ-CB 4.23Å; F319-L321 HydrophobicContact CZ-CD1 3.8Å; F319-L321 PolarHBondContact O-N 3.42Å; F319-L324 HydrophobicContact CZ-CD2 3.99Å; F319-L369 HydrophobicContact CB-CD1 4.24Å; F319-L370 PolarHBondContact N-O 3.41Å; F319-V371 HydrophobicContact CD1-CG1 4.25Å; F319-V371 CarbonylContact O-C 3.59Å; F319-V371 VanDerWaalsContact O-CA 3.27Å; F319-V371 WeakPolarHBondContact O-CA 3.49Å; F319-D372 PolarHBondContact O-N 2.92Å
320R95.7Very high94Very high47 Ų4723.8 Ų23.818%0.17711%0.111CC..  trans-91.473.6178.1-49.7-174.761.8-164.2-3.6110.6P303 G322 Q323 D372 F459 I468P303-R320 HydrophobicContact CB-CB 4.13Å; P303-R320 WeakPolarHBondContact CG-O 3.44Å; P303-R320 PolarHBondContact O-N 3.2Å; R320-G322 PolarHBondContact O-N 3.23Å; R320-G322 VanDerWaalsContact O-N 3.16Å; R320-Q323 HydrophobicContact CB-CB 4.32Å; R320-Q323 HydrophobicContact CB-CG 4.15Å; R320-Q323 PolarHBondContact O-N 3.25Å; R320-D372 CarbonylContact C-O 3.37Å; R320-D372 WeakPolarHBondContact CA-O 3.42Å; R320-D372 HydrophobicContact CB-CB 4.25Å; R320-D372 HydrophobicContact CG-CB 4.04Å; R320-D372 IonicContact CZ-OD2 3.34Å; R320-D372 IonicContact NE-OD2 3.39Å; R320-D372 PolarHBondContact NE-OD2 3.32Å; R320-D372 IonicContact NH2-OD2 3.99Å; R320-D372 PolarHBondContact NH2-OD2 3.32Å; R320-F459 HydrophobicContact CG-CE2 4.1Å; R320-F459 HydrophobicContact CG-CZ 4.19Å; R320-I468 HydrophobicContact CG-CD1 4.03Å
321L94.5Very high93.6Very high33 Ų3324.2 Ų24.217%0.17311%0.112CC..G310 helixtrans-53.7-35.1-178.9177.664.8000112.7F319 Q323 L324 V371 D372 L373 L419F319-L321 HydrophobicContact CD1-CB 4.1Å; F319-L321 HydrophobicContact CE1-CB 3.77Å; F319-L321 HydrophobicContact CE1-CD1 3.71Å; F319-L321 HydrophobicContact CE1-CG 4.26Å; F319-L321 HydrophobicContact CZ-CB 4.23Å; F319-L321 HydrophobicContact CZ-CD1 3.8Å; F319-L321 PolarHBondContact O-N 3.42Å; L321-Q323 PolarHBondContact O-N 2.93Å; L321-L324 HydrophobicContact CD1-CB 4.44Å; L321-L324 HydrophobicContact CD1-CD2 3.88Å; L321-L324 VanDerWaalsContact O-CB 3.3Å; L321-L324 WeakPolarHBondContact O-CB 3.15Å; L321-L324 PolarHBondContact O-N 2.83Å; L321-L324 VanDerWaalsContact O-N 3.11Å; L321-V371 HydrophobicContact CB-CG1 3.82Å; L321-V371 HydrophobicContact CD2-CG1 4.41Å; L321-D372 PolarHBondContact N-O 3.47Å; L321-L373 HydrophobicContact CB-CD2 3.89Å; L321-L373 HydrophobicContact CD2-CD2 3.67Å; L321-L373 HydrophobicContact CG-CD2 4.17Å; L321-L419 HydrophobicContact CD2-CD2 4.22Å
322G90.5Very high93.4Very high0 Ų019.9 Ų19.90%09%0.09CC..G310 helixtrans-65.7-17.1178.500000114.9R320 D372 D374 G375 M376 R379 H380R320-G322 PolarHBondContact O-N 3.23Å; R320-G322 VanDerWaalsContact O-N 3.16Å; G322-D372 PolarHBondContact N-O 2.96Å; G322-D374 CarbonylContact C-O 3.03Å; G322-D374 VanDerWaalsContact CA-O 3.31Å; G322-D374 WeakPolarHBondContact CA-O 3.38Å; G322-G375 CarbonylContact O-C 3.55Å; G322-G375 VanDerWaalsContact O-O 3.1Å; G322-M376 VanDerWaalsContact CA-N 3.33Å; G322-R379 PolarHBondContact O-NH2 2.85Å; G322-H380 PolarHBondContact O-CE1 2.8Å; G322-H380 PolarHBondContact O-NE2 2.84Å
323Q92.2Very high93.4Very high60 Ų6015.8 Ų15.828%0.287%0.071SC..G310 helixtrans-99.50.8176.9-56.7-59.2-46.900112.9P303 R320 L321 D325 D374P303-Q323 HydrophobicContact CB-CB 4.28Å; P303-Q323 HydrophobicContact CG-CB 4.46Å; R320-Q323 HydrophobicContact CB-CB 4.32Å; R320-Q323 HydrophobicContact CB-CG 4.15Å; R320-Q323 PolarHBondContact O-N 3.25Å; L321-Q323 PolarHBondContact O-N 2.93Å; Q323-D325 PolarHBondContact O-N 3.05Å; Q323-D374 PolarHBondContact NE2-O 3.42Å
324L93.8Very high93.2Very high8 Ų815.8 Ų15.84%0.0427%0.071CC..  trans-78.3117.9-176.518071000111.3F302 P303 F319 L321 F326 L329 H380F302-L324 HydrophobicContact CD2-CD1 3.82Å; F302-L324 HydrophobicContact CE2-CD1 3.87Å; P303-L324 HydrophobicContact CG-CB 4.06Å; P303-L324 HydrophobicContact CG-CD1 4.21Å; F319-L324 HydrophobicContact CZ-CD2 3.99Å; L321-L324 HydrophobicContact CD1-CB 4.44Å; L321-L324 HydrophobicContact CD1-CD2 3.88Å; L321-L324 VanDerWaalsContact O-CB 3.3Å; L321-L324 WeakPolarHBondContact O-CB 3.15Å; L321-L324 PolarHBondContact O-N 2.83Å; L321-L324 VanDerWaalsContact O-N 3.11Å; L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 HydrophobicContact CD2-CB 4.35Å; L324-F326 HydrophobicContact CD2-CD2 3.66Å; L324-F326 HydrophobicContact CD2-CE2 4.49Å; L324-F326 HydrophobicContact CD2-CG 4.48Å; L324-F326 HydrophobicContact CG-CB 4.46Å; L324-F326 PolarHBondContact O-N 3.12Å; L324-L329 HydrophobicContact CD1-CD2 4.37Å; L324-H380 PolarHBondContact O-CD2 3.39Å; L324-H380 PolarHBondContact O-NE2 3.1Å
325D91.1Very high92.9Very high12 Ų1217.7 Ų17.76%0.0648%0.082CC..  trans-79.180.2165.5-178.510.3000111Q323 K327 G328 L329 L472 I473Q323-D325 PolarHBondContact O-N 3.05Å; D325-K327 VanDerWaalsContact C-N 3.32Å; D325-K327 PolarHBondContact O-N 3.37Å; D325-K327 PolarHBondContact OD1-N 2.77Å; D325-G328 PolarHBondContact O-N 3.43Å; D325-G328 PolarHBondContact OD1-N 2.94Å; D325-G328 WeakPolarHBondContact OD2-CA 3.3Å; D325-L329 WeakPolarHBondContact O-CB 3.28Å; D325-L329 PolarHBondContact O-N 3.37Å; D325-L472 HydrophobicContact CB-CD2 4.31Å; D325-I473 HydrophobicContact CB-CD1 4.45Å; D325-I473 HydrophobicContact CB-CG1 4.49Å; D325-I473 PolarHBondContact OD2-N 2.81Å
326F90.4Very high92.5Very high24 Ų2423.1 Ų23.111%0.10511%0.107CC..Hα-helixtrans-64.9-37-178.7-158.1-74.1000112L324 L329 L330 I338 A385 T388L324-F326 VanDerWaalsContact C-N 3.32Å; L324-F326 HydrophobicContact CD2-CB 4.35Å; L324-F326 HydrophobicContact CD2-CD2 3.66Å; L324-F326 HydrophobicContact CD2-CE2 4.49Å; L324-F326 HydrophobicContact CD2-CG 4.48Å; L324-F326 HydrophobicContact CG-CB 4.46Å; L324-F326 PolarHBondContact O-N 3.12Å; F326-L329 PolarHBondContact O-N 3.09Å; F326-L330 WeakPolarHBondContact O-CB 3.45Å; F326-L330 PolarHBondContact O-N 3.26Å; F326-I338 HydrophobicContact CE1-CD1 4.1Å; F326-I338 HydrophobicContact CZ-CD1 4.11Å; F326-A385 HydrophobicContact CB-CB 4.14Å; F326-A385 HydrophobicContact CD1-CB 3.24Å; F326-A385 HydrophobicContact CD2-CB 4.35Å; F326-A385 VanDerWaalsContact CE1-CA 3.43Å; F326-A385 HydrophobicContact CE1-CB 3.7Å; F326-A385 HydrophobicContact CG-CB 3.65Å; F326-A385 HydrophobicContact CZ-CB 4.41Å; F326-T388 HydrophobicContact CE1-CG2 4.29Å; F326-T388 HydrophobicContact CZ-CG2 3.8Å
327K84.5Confident92.3Very high3 Ų323.8 Ų23.81%0.01311%0.114CC..Hα-helixtrans-64-48.7179.4-176.8177.1177.5-171.30110.2D325 L329 L330 R331 W382 F486 D521 D523 S582 Q584D325-K327 VanDerWaalsContact C-N 3.32Å; D325-K327 PolarHBondContact O-N 3.37Å; D325-K327 PolarHBondContact OD1-N 2.77Å; K327-L329 VanDerWaalsContact C-N 3.33Å; K327-L329 PolarHBondContact O-N 2.92Å; K327-L330 PolarHBondContact O-N 2.71Å; K327-R331 VanDerWaalsContact CE-NH2 3.28Å; K327-R331 WeakPolarHBondContact O-CG 3.37Å; K327-R331 PolarHBondContact O-N 3.45Å; K327-R331 VanDerWaalsContact O-N 3.08Å; K327-W382 HydrophobicContact CB-CE3 4.24Å; K327-W382 HydrophobicContact CB-CZ3 4.37Å; K327-W382 HydrophobicContact CG-CE3 4.38Å; K327-W382 HydrophobicContact CG-CZ3 4.28Å; K327-F486 HydrophobicContact CG-CZ 4.06Å; K327-D521 IonicContact NZ-OD1 3.98Å; K327-D521 PolarHBondContact NZ-OD1 3.44Å; K327-D521 IonicContact NZ-OD2 2.63Å; K327-D521 PolarHBondContact NZ-OD2 3.2Å; K327-D523 IonicContact NZ-OD1 3.18Å; K327-D523 PolarHBondContact NZ-OD1 3.13Å; K327-D523 IonicContact NZ-OD2 3.83Å; K327-D523 PolarHBondContact NZ-OD2 3.45Å; K327-D523 VanDerWaalsContact NZ-OD2 3.12Å; K327-S582 VanDerWaalsContact CE-OG 3.26Å; K327-S582 WeakPolarHBondContact CE-OG 3.31Å; K327-S582 PolarHBondContact NZ-OG 3.11Å; K327-Q584 HydrophobicContact CD-CG 4.37Å
328G89.5Confident92.2Very high0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-61.6-40.8175.100000112.3D325 L330 R331 A332 Y478D325-G328 PolarHBondContact O-N 3.43Å; D325-G328 PolarHBondContact OD1-N 2.94Å; D325-G328 WeakPolarHBondContact OD2-CA 3.3Å; G328-L330 PolarHBondContact O-N 2.84Å; G328-R331 PolarHBondContact O-N 3.05Å; G328-A332 VanDerWaalsContact O-CB 3.26Å; G328-A332 WeakPolarHBondContact O-CB 3.33Å; G328-A332 PolarHBondContact O-N 3.13Å; G328-Y478 WeakPolarHBondContact CA-OH 3.41Å
329L93Very high92.1Very high4 Ų425 Ų252%0.02112%0.121CC..Hα-helixtrans-62.2-45.3178.1-168.765.8000111.2V297 F298 F302 L324 D325 F326 K327 R331 A332 V333 I338 I473V297-L329 HydrophobicContact CG1-CD1 3.79Å; F298-L329 HydrophobicContact CD1-CD1 4.21Å; F298-L329 HydrophobicContact CE1-CD1 3.74Å; F298-L329 HydrophobicContact CE1-CD2 3.86Å; F298-L329 HydrophobicContact CE1-CG 4.31Å; F298-L329 HydrophobicContact CE2-CD1 4.17Å; F298-L329 HydrophobicContact CZ-CD1 3.72Å; F298-L329 HydrophobicContact CZ-CD2 4.13Å; F298-L329 HydrophobicContact CZ-CG 4.22Å; F302-L329 HydrophobicContact CD2-CD2 4.28Å; F302-L329 HydrophobicContact CE2-CD2 4.38Å; L324-L329 HydrophobicContact CD1-CD2 4.37Å; D325-L329 WeakPolarHBondContact O-CB 3.28Å; D325-L329 PolarHBondContact O-N 3.37Å; F326-L329 PolarHBondContact O-N 3.09Å; K327-L329 VanDerWaalsContact C-N 3.33Å; K327-L329 PolarHBondContact O-N 2.92Å; L329-R331 VanDerWaalsContact C-N 3.32Å; L329-R331 PolarHBondContact O-N 3.41Å; L329-A332 PolarHBondContact O-N 3.28Å; L329-V333 HydrophobicContact CD1-CG2 3.89Å; L329-V333 HydrophobicContact CG-CG2 3.99Å; L329-V333 WeakPolarHBondContact O-CG2 3.5Å; L329-V333 PolarHBondContact O-N 3.49Å; L329-I338 HydrophobicContact CD2-CD1 4.12Å; L329-I338 HydrophobicContact CD2-CG1 3.84Å; L329-I338 HydrophobicContact CG-CD1 4.1Å; L329-I338 HydrophobicContact CG-CG1 3.87Å; L329-I473 HydrophobicContact CB-CD1 4Å; L329-I473 HydrophobicContact CD1-CD1 4.23Å; L329-I473 VanDerWaalsContact N-CD1 3.31Å
330L90.4Very high92Very high13 Ų1328 Ų287%0.06813%0.134CC..Hα-helixtrans-63-38178-169.362.5000112F326 K327 G328 G334 E335 I338 W382 P384 F486F326-L330 WeakPolarHBondContact O-CB 3.45Å; F326-L330 PolarHBondContact O-N 3.26Å; K327-L330 PolarHBondContact O-N 2.71Å; G328-L330 PolarHBondContact O-N 2.84Å; L330-G334 WeakPolarHBondContact O-CA 3.45Å; L330-G334 PolarHBondContact O-N 2.98Å; L330-E335 HydrophobicContact CD1-CB 4.4Å; L330-E335 HydrophobicContact CD1-CG 3.49Å; L330-E335 VanDerWaalsContact CD1-CG 3.49Å; L330-I338 HydrophobicContact CB-CD1 4.35Å; L330-I338 HydrophobicContact CD1-CD1 3.92Å; L330-W382 HydrophobicContact CD2-CH2 3.89Å; L330-W382 HydrophobicContact CD2-CZ3 3.74Å; L330-P384 HydrophobicContact CD2-CB 4.06Å; L330-F486 HydrophobicContact CD2-CE2 4.02Å; L330-F486 HydrophobicContact CG-CE2 4.41Å
331R88.4Confident92Very high19 Ų1926.8 Ų26.87%0.07213%0.131CC..Hα-helixtrans-72.2-32.1176-72.2-174.8172.8177.81.9113.5K327 G328 L329 Y478 R479 F486 D523K327-R331 VanDerWaalsContact CE-NH2 3.28Å; K327-R331 WeakPolarHBondContact O-CG 3.37Å; K327-R331 PolarHBondContact O-N 3.45Å; K327-R331 VanDerWaalsContact O-N 3.08Å; G328-R331 PolarHBondContact O-N 3.05Å; L329-R331 VanDerWaalsContact C-N 3.32Å; L329-R331 PolarHBondContact O-N 3.41Å; R331-Y478 HydrophobicContact CB-CD1 3.8Å; R331-Y478 HydrophobicContact CB-CD2 3.86Å; R331-Y478 HydrophobicContact CB-CE1 4.09Å; R331-Y478 HydrophobicContact CB-CE2 4.2Å; R331-Y478 HydrophobicContact CB-CG 3.68Å; R331-Y478 HydrophobicContact CG-CD2 4.38Å; R331-R479 PolarHBondContact O-N 3.22Å; R331-R479 VanDerWaalsContact O-N 3.09Å; R331-F486 HydrophobicContact CG-CD2 4.24Å; R331-F486 HydrophobicContact CG-CE2 3.94Å; R331-F486 HydrophobicContact CG-CZ 4.21Å; R331-F486 VanDerWaalsContact NH2-CE1 3.27Å; R331-D523 IonicContact CZ-OD1 2.79Å; R331-D523 IonicContact CZ-OD2 3.69Å; R331-D523 IonicContact NH1-OD1 3.33Å; R331-D523 PolarHBondContact NH1-OD1 3.38Å; R331-D523 IonicContact NH1-OD2 2.78Å; R331-D523 IonicContact NH2-OD1 3.99Å; R331-D523 PolarHBondContact NH2-OD1 3.04Å; R331-D523 IonicContact NH2-OD2 3.49Å; R331-D523 PolarHBondContact NH2-OD2 3.48Å
332A92.3Very high92.2Very high2 Ų226.3 Ų26.32%0.01713%0.129CC..Hα-helixtrans-82.8-41.5-176.700000113.2V297 G328 L329 I473 Y478 R479V297-A332 HydrophobicContact CB-CB 4.49Å; V297-A332 HydrophobicContact CG1-CB 3.91Å; V297-A332 HydrophobicContact CG2-CB 3.87Å; G328-A332 VanDerWaalsContact O-CB 3.26Å; G328-A332 WeakPolarHBondContact O-CB 3.33Å; G328-A332 PolarHBondContact O-N 3.13Å; L329-A332 PolarHBondContact O-N 3.28Å; A332-I473 HydrophobicContact CB-CG2 4.26Å; A332-Y478 HydrophobicContact CB-CD1 4.18Å; A332-R479 WeakPolarHBondContact O-CD 3.27Å; A332-R479 WeakPolarHBondContact O-CG 3.44Å; A332-R479 PolarHBondContact O-NE 3.34Å
333V92.7Very high92.5Very high5 Ų526.7 Ų26.73%0.0313%0.131CC..Hα-helixtrans-122-12.7-173.4-59.40000114.8V297 F298 L329 G337 I338V297-V333 HydrophobicContact CB-CG1 4.22Å; V297-V333 HydrophobicContact CG1-CG1 4.42Å; V297-V333 HydrophobicContact CG2-CG1 4.41Å; F298-V333 HydrophobicContact CD2-CG1 4.41Å; F298-V333 HydrophobicContact CE2-CB 4.23Å; F298-V333 HydrophobicContact CE2-CG1 3.98Å; F298-V333 HydrophobicContact CE2-CG2 3.75Å; F298-V333 HydrophobicContact CZ-CG2 3.93Å; L329-V333 HydrophobicContact CD1-CG2 3.89Å; L329-V333 HydrophobicContact CG-CG2 3.99Å; L329-V333 WeakPolarHBondContact O-CG2 3.5Å; L329-V333 PolarHBondContact O-N 3.49Å; V333-G337 WeakPolarHBondContact O-CA 3.34Å; V333-G337 PolarHBondContact O-N 3.01Å; V333-I338 HydrophobicContact CG2-CG1 3.87Å
334G91.4Very high92.7Very high2 Ų224.7 Ų24.72%0.02112%0.122CC..Hα-helixtrans70.1171.8-176.300000113.8L330 E336 G337 I338L330-G334 WeakPolarHBondContact O-CA 3.45Å; L330-G334 PolarHBondContact O-N 2.98Å; G334-E336 VanDerWaalsContact C-N 3.28Å; G334-E336 PolarHBondContact O-N 3.28Å; G334-G337 PolarHBondContact O-N 3.02Å; G334-I338 WeakPolarHBondContact O-CG1 3.47Å; G334-I338 PolarHBondContact O-N 2.91Å
335E90.9Very high92.9Very high87 Ų8726 Ų2641%0.40713%0.127SC..Hα-helixtrans-60-38.9178.6-61.9-176.1168.600111.7L330 G337 I338 M339 T388L330-E335 HydrophobicContact CD1-CB 4.4Å; L330-E335 HydrophobicContact CD1-CG 3.49Å; L330-E335 VanDerWaalsContact CD1-CG 3.49Å; E335-G337 VanDerWaalsContact C-N 3.34Å; E335-G337 PolarHBondContact O-N 3.46Å; E335-I338 PolarHBondContact O-N 3.3Å; E335-M339 WeakPolarHBondContact O-CB 3.26Å; E335-M339 PolarHBondContact O-N 3.42Å; E335-T388 HydrophobicContact CG-CG2 4.38Å; E335-T388 PolarHBondContact OE1-OG1 3.47Å
336E91.2Very high93.2Very high116 Ų11625.4 Ų25.454%0.54212%0.124SC..Hα-helixtrans-62.7-40.6177.4-168.7-166.3154.600111.8G334 M339 K340G334-E336 VanDerWaalsContact C-N 3.28Å; G334-E336 PolarHBondContact O-N 3.28Å; E336-M339 PolarHBondContact O-N 2.82Å; E336-K340 WeakPolarHBondContact O-CG 3.29Å; E336-K340 PolarHBondContact O-N 2.92Å; E336-K340 WeakPolarHBondContact OE1-CE 3.32Å; E336-K340 IonicContact OE1-NZ 2.79Å; E336-K340 PolarHBondContact OE1-NZ 3.33Å
337G93.6Very high93.6Very high16 Ų1625.3 Ų25.317%0.16512%0.124CC..Hα-helixtrans-67.4-41.3177.600000112.5V333 G334 E335 K340 H341V333-G337 WeakPolarHBondContact O-CA 3.34Å; V333-G337 PolarHBondContact O-N 3.01Å; G334-G337 PolarHBondContact O-N 3.02Å; E335-G337 VanDerWaalsContact C-N 3.34Å; E335-G337 PolarHBondContact O-N 3.46Å; G337-K340 PolarHBondContact O-N 3.39Å; G337-H341 PolarHBondContact O-N 2.94Å; G337-H341 VanDerWaalsContact O-N 3.11Å
338I95.5Very high94.2Very high7 Ų727.7 Ų27.74%0.03614%0.135CC..Hα-helixtrans-60.8-48.2172.5-64.5170.3000110.2F326 L329 L330 V333 G334 E335 K340 H341 V342 T388 I392F326-I338 HydrophobicContact CE1-CD1 4.1Å; F326-I338 HydrophobicContact CZ-CD1 4.11Å; L329-I338 HydrophobicContact CD2-CD1 4.12Å; L329-I338 HydrophobicContact CD2-CG1 3.84Å; L329-I338 HydrophobicContact CG-CD1 4.1Å; L329-I338 HydrophobicContact CG-CG1 3.87Å; L330-I338 HydrophobicContact CB-CD1 4.35Å; L330-I338 HydrophobicContact CD1-CD1 3.92Å; V333-I338 HydrophobicContact CG2-CG1 3.87Å; G334-I338 WeakPolarHBondContact O-CG1 3.47Å; G334-I338 PolarHBondContact O-N 2.91Å; E335-I338 PolarHBondContact O-N 3.3Å; I338-K340 PolarHBondContact O-N 2.98Å; I338-H341 WeakPolarHBondContact O-CB 3.48Å; I338-H341 PolarHBondContact O-N 3.48Å; I338-H341 VanDerWaalsContact O-N 3.13Å; I338-V342 WeakPolarHBondContact O-CG2 3.41Å; I338-V342 PolarHBondContact O-N 3.24Å; I338-T388 HydrophobicContact CD1-CG2 4.49Å; I338-T388 HydrophobicContact CG2-CG2 4.35Å; I338-I392 HydrophobicContact CG2-CD1 3.87Å
339M95Very high94.6Very high35 Ų3527.7 Ų27.717%0.17214%0.135CC..Hα-helixtrans-60.8-45.4179.8-16957.761.200111.4E335 E336 H341 V342 L343 I392 I395E335-M339 WeakPolarHBondContact O-CB 3.26Å; E335-M339 PolarHBondContact O-N 3.42Å; E336-M339 PolarHBondContact O-N 2.82Å; M339-H341 VanDerWaalsContact C-N 3.28Å; M339-H341 PolarHBondContact O-N 3.45Å; M339-V342 PolarHBondContact O-N 2.96Å; M339-V342 VanDerWaalsContact O-N 3.13Å; M339-L343 HydrophobicContact CG-CG 4.44Å; M339-L343 VanDerWaalsContact O-CG 3.3Å; M339-L343 WeakPolarHBondContact O-CG 3.16Å; M339-L343 PolarHBondContact O-N 3.32Å; M339-I392 HydrophobicContact CE-CB 4.5Å; M339-I392 HydrophobicContact CE-CG1 3.65Å; M339-I392 HydrophobicContact SD-CG1 4.44Å; M339-I395 HydrophobicContact CE-CD1 3.52Å; M339-I395 HydrophobicContact SD-CD1 3.72Å; M339-I395 HydrophobicContact SD-CG2 4.3Å
340K95.6Very high94.7Very high95 Ų9528.2 Ų28.241%0.41314%0.138SC..Hα-helixtrans-58.3-39.3175.3-77.2178.3-174.5166.50112.6I288 Y292 E336 G337 I338 L343 N344I288-K340 WeakPolarHBondContact CD1-O 3.35Å; Y292-K340 HydrophobicContact CD2-CB 4.16Å; Y292-K340 HydrophobicContact CE2-CB 3.98Å; E336-K340 WeakPolarHBondContact O-CG 3.29Å; E336-K340 PolarHBondContact O-N 2.92Å; E336-K340 WeakPolarHBondContact OE1-CE 3.32Å; E336-K340 IonicContact OE1-NZ 2.79Å; E336-K340 PolarHBondContact OE1-NZ 3.33Å; G337-K340 PolarHBondContact O-N 3.39Å; I338-K340 PolarHBondContact O-N 2.98Å; K340-L343 PolarHBondContact O-N 2.91Å; K340-N344 WeakPolarHBondContact O-CB 3.33Å; K340-N344 PolarHBondContact O-N 2.87Å
341H96.7Very high95Very high22 Ų2230.6 Ų30.610%0.10216%0.156CC..Hα-helixtrans-63.6-45.4174.9-174.778.9000112Y292 F298 F302 G337 I338 M339 L343 N344 F345Y292-H341 WeakPolarHBondContact OH-CB 3.48Å; Y292-H341 PolarHBondContact OH-ND1 2.89Å; Y292-H341 VanDerWaalsContact OH-ND1 3.1Å; F298-H341 HydrophobicContact CD1-CB 4.11Å; F298-H341 AromaticContact CD1-CD2 3.73Å; F298-H341 AromaticContact CD1-CE1 3.57Å; F298-H341 AromaticContact CD1-CG 3.47Å; F298-H341 VanDerWaalsContact CD1-CG 3.47Å; F298-H341 AromaticContact CD1-ND1 3.38Å; F298-H341 WeakPolarHBondContact CD1-ND1 3.33Å; F298-H341 AromaticContact CD1-NE2 3.8Å; F298-H341 HydrophobicContact CD2-CB 4.49Å; F298-H341 HydrophobicContact CE1-CB 3.55Å; F298-H341 AromaticContact CE1-CD2 3.54Å; F298-H341 AromaticContact CE1-CG 3.31Å; F298-H341 AromaticContact CE1-ND1 3.74Å; F298-H341 HydrophobicContact CE2-CB 3.94Å; F298-H341 AromaticContact CG-ND1 3.65Å; F298-H341 HydrophobicContact CZ-CB 3.45Å; F298-H341 VanDerWaalsContact CZ-CB 3.45Å; F298-H341 AromaticContact CZ-CG 3.77Å; F302-H341 AromaticContact CD1-NE2 3.61Å; F302-H341 AromaticContact CE1-NE2 3.39Å; F302-H341 WeakPolarHBondContact CE1-NE2 3.47Å; F302-H341 AromaticContact CZ-NE2 3.76Å; G337-H341 PolarHBondContact O-N 2.94Å; G337-H341 VanDerWaalsContact O-N 3.11Å; I338-H341 WeakPolarHBondContact O-CB 3.48Å; I338-H341 PolarHBondContact O-N 3.48Å; I338-H341 VanDerWaalsContact O-N 3.13Å; M339-H341 VanDerWaalsContact C-N 3.28Å; M339-H341 PolarHBondContact O-N 3.45Å; H341-L343 VanDerWaalsContact C-N 3.34Å; H341-L343 PolarHBondContact O-N 2.93Å; H341-N344 WeakPolarHBondContact O-CB 3.3Å; H341-N344 PolarHBondContact O-N 2.81Å; H341-F345 PolarHBondContact O-N 3.19Å
342V97.1Very high95.4Very high22 Ų2232.9 Ų32.913%0.13316%0.164CC..Hα-helixtrans-60.8-42.4176.5171.50000111.7I338 M339 F345 C346 I392 V396I338-V342 WeakPolarHBondContact O-CG2 3.41Å; I338-V342 PolarHBondContact O-N 3.24Å; M339-V342 PolarHBondContact O-N 2.96Å; M339-V342 VanDerWaalsContact O-N 3.13Å; V342-F345 WeakPolarHBondContact O-CB 3.47Å; V342-F345 PolarHBondContact O-N 3.43Å; V342-C346 PolarHBondContact O-N 3.39Å; V342-C346 PolarHBondContact O-SG 3.02Å; V342-I392 HydrophobicContact CG1-CG2 3.91Å; V342-I392 HydrophobicContact CG2-CD1 3.99Å; V342-I392 HydrophobicContact CG2-CG1 4.19Å; V342-I392 HydrophobicContact CG2-CG2 4.24Å; V342-V396 HydrophobicContact CG1-CG2 3.88Å
343L97.2Very high95.6Very high8 Ų833.2 Ų33.24%0.04217%0.166CC..Hα-helixtrans-65.2-40.9176.9-65.3-172.1000111.8W279 V285 I288 M339 K340 H341 F345 C346 E347 I395 Y400W279-L343 HydrophobicContact CH2-CD1 4.13Å; W279-L343 HydrophobicContact CH2-CD2 3.56Å; W279-L343 HydrophobicContact CH2-CG 4.5Å; W279-L343 HydrophobicContact CZ2-CD1 4.31Å; W279-L343 HydrophobicContact CZ2-CD2 4.1Å; V285-L343 HydrophobicContact CG2-CD1 4.2Å; I288-L343 HydrophobicContact CD1-CB 3.42Å; I288-L343 VanDerWaalsContact CD1-CB 3.42Å; I288-L343 HydrophobicContact CD1-CD1 4.45Å; M339-L343 HydrophobicContact CG-CG 4.44Å; M339-L343 VanDerWaalsContact O-CG 3.3Å; M339-L343 WeakPolarHBondContact O-CG 3.16Å; M339-L343 PolarHBondContact O-N 3.32Å; K340-L343 PolarHBondContact O-N 2.91Å; H341-L343 VanDerWaalsContact C-N 3.34Å; H341-L343 PolarHBondContact O-N 2.93Å; L343-F345 VanDerWaalsContact C-N 3.35Å; L343-C346 PolarHBondContact O-N 3.36Å; L343-E347 WeakPolarHBondContact O-CG 3.4Å; L343-E347 PolarHBondContact O-N 3.48Å; L343-I395 HydrophobicContact CD2-CG2 4.38Å; L343-Y400 HydrophobicContact CD2-CE2 4.06Å
344N97.1Very high95.6Very high18 Ų1837.5 Ų37.510%0.09619%0.186CC..Hα-helixtrans-61.2-45.3174.1-176.874.1000111I288 Y292 K340 H341 C346 E347 E348I288-N344 HydrophobicContact CD1-CB 4.35Å; I288-N344 HydrophobicContact CG1-CB 4.41Å; Y292-N344 HydrophobicContact CD1-CB 3.64Å; Y292-N344 HydrophobicContact CE1-CB 3.92Å; Y292-N344 HydrophobicContact CG-CB 4.07Å; K340-N344 WeakPolarHBondContact O-CB 3.33Å; K340-N344 PolarHBondContact O-N 2.87Å; H341-N344 WeakPolarHBondContact O-CB 3.3Å; H341-N344 PolarHBondContact O-N 2.81Å; N344-C346 PolarHBondContact O-N 3.26Å; N344-E347 PolarHBondContact O-N 3Å; N344-E348 VanDerWaalsContact O-CB 3.25Å; N344-E348 WeakPolarHBondContact O-CB 3.33Å; N344-E348 PolarHBondContact O-N 3.35Å
345F97.4Very high95.8Very high36 Ų3642.1 Ų42.116%0.15821%0.207CC..Hα-helixtrans-55.5-48.9173.4158.8-100.5000111.8W306 Y317 H341 V342 L343 E348 G349 W367W306-F345 HydrophobicContact CH2-CD2 4.18Å; W306-F345 AromaticContact CH2-CE2 3.61Å; W306-F345 HydrophobicContact CH2-CE2 3.61Å; W306-F345 HydrophobicContact CH2-CZ 4.3Å; W306-F345 AromaticContact CZ2-CD2 3.51Å; W306-F345 HydrophobicContact CZ2-CD2 3.51Å; W306-F345 AromaticContact CZ2-CE2 3.44Å; W306-F345 HydrophobicContact CZ2-CE2 3.44Å; W306-F345 VanDerWaalsContact CZ2-CE2 3.44Å; W306-F345 HydrophobicContact CZ2-CZ 4.41Å; W306-F345 WeakPolarHBondContact CZ2-O 3.48Å; W306-F345 HydrophobicContact CZ3-CE2 4.48Å; Y317-F345 AromaticContact CD1-CE2 3.9Å; Y317-F345 HydrophobicContact CD1-CE2 3.9Å; Y317-F345 AromaticContact CD2-CD2 3.77Å; Y317-F345 HydrophobicContact CD2-CD2 3.77Å; Y317-F345 AromaticContact CD2-CE2 3.49Å; Y317-F345 HydrophobicContact CD2-CE2 3.49Å; Y317-F345 VanDerWaalsContact CD2-CE2 3.49Å; Y317-F345 HydrophobicContact CE1-CD2 4.37Å; Y317-F345 HydrophobicContact CE1-CE2 4.19Å; Y317-F345 AromaticContact CE2-CD2 3.62Å; Y317-F345 HydrophobicContact CE2-CD2 3.62Å; Y317-F345 AromaticContact CE2-CE2 3.82Å; Y317-F345 HydrophobicContact CE2-CE2 3.82Å; Y317-F345 HydrophobicContact CG-CD2 4.2Å; Y317-F345 AromaticContact CG-CE2 3.51Å; Y317-F345 HydrophobicContact CG-CE2 3.51Å; Y317-F345 HydrophobicContact CG-CZ 4.41Å; Y317-F345 AromaticContact CZ-CD2 3.93Å; H341-F345 PolarHBondContact O-N 3.19Å; V342-F345 WeakPolarHBondContact O-CB 3.47Å; V342-F345 PolarHBondContact O-N 3.43Å; L343-F345 VanDerWaalsContact C-N 3.35Å; F345-E348 PolarHBondContact O-N 3.36Å; F345-G349 PolarHBondContact O-N 3.27Å; F345-W367 HydrophobicContact CE1-CZ2 4.25Å; F345-W367 HydrophobicContact CZ-CZ2 4.44Å; F345-W367 AromaticContact CZ-NE1 3.7Å
346C97.8Very high96Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-64.5-44.3-178.2-64.60000112.1V342 L343 N344 G349 L350 W367 Y400V342-C346 PolarHBondContact O-N 3.39Å; V342-C346 PolarHBondContact O-SG 3.02Å; L343-C346 PolarHBondContact O-N 3.36Å; N344-C346 PolarHBondContact O-N 3.26Å; C346-G349 PolarHBondContact O-N 3.23Å; C346-L350 WeakPolarHBondContact O-CG 3.47Å; C346-L350 PolarHBondContact O-N 3.47Å; C346-W367 HydrophobicContact CB-CH2 4.41Å; C346-Y400 HydrophobicContact CB-CD1 3.65Å; C346-Y400 HydrophobicContact CB-CD2 4.15Å; C346-Y400 HydrophobicContact CB-CE1 3.38Å; C346-Y400 HydrophobicContact CB-CE2 3.92Å; C346-Y400 HydrophobicContact CB-CG 4.02Å
347E97.4Very high96Very high21 Ų2133.2 Ų33.210%0.09817%0.167CC..Hα-helixtrans-67-37.9177.8-69.3-65124.400112.2R280 V285 I288 L289 L343 N344 G349 L350 S351 Y400R280-E347 IonicContact CZ-OE1 2.69Å; R280-E347 VanDerWaalsContact CZ-OE1 3.24Å; R280-E347 IonicContact CZ-OE2 3.26Å; R280-E347 IonicContact NH1-OE1 3.5Å; R280-E347 PolarHBondContact NH1-OE1 3.42Å; R280-E347 IonicContact NH1-OE2 3.7Å; R280-E347 IonicContact NH2-OE1 2.97Å; R280-E347 PolarHBondContact NH2-OE1 3.2Å; R280-E347 IonicContact NH2-OE2 3.71Å; R280-E347 PolarHBondContact NH2-OE2 3.04Å; V285-E347 HydrophobicContact CG1-CG 3.89Å; I288-E347 HydrophobicContact CG2-CB 3.82Å; I288-E347 HydrophobicContact CG2-CG 3.56Å; L289-E347 HydrophobicContact CD1-CB 4.18Å; L289-E347 HydrophobicContact CD2-CB 3.93Å; L289-E347 HydrophobicContact CG-CB 3.9Å; L343-E347 WeakPolarHBondContact O-CG 3.4Å; L343-E347 PolarHBondContact O-N 3.48Å; N344-E347 PolarHBondContact O-N 3Å; E347-G349 VanDerWaalsContact C-N 3.32Å; E347-L350 PolarHBondContact O-N 2.91Å; E347-S351 PolarHBondContact O-N 2.86Å; E347-Y400 WeakPolarHBondContact OE1-CE1 3.36Å; E347-Y400 PolarHBondContact OE1-OH 2.98Å; E347-Y400 VanDerWaalsContact OE1-OH 3.08Å
348E97.4Very high95.9Very high53 Ų5339.1 Ų39.125%0.24819%0.188CC..Hα-helixtrans-65.4-39.7174.4-168-175.3166.300110.7L289 W306 N344 F345 L350 S351 R352L289-E348 HydrophobicContact CD2-CB 4.04Å; W306-E348 PolarHBondContact NE1-OE1 2.99Å; W306-E348 PolarHBondContact NE1-OE2 3.39Å; N344-E348 VanDerWaalsContact O-CB 3.25Å; N344-E348 WeakPolarHBondContact O-CB 3.33Å; N344-E348 PolarHBondContact O-N 3.35Å; F345-E348 PolarHBondContact O-N 3.36Å; E348-L350 VanDerWaalsContact C-N 3.33Å; E348-L350 PolarHBondContact O-N 3.01Å; E348-S351 WeakPolarHBondContact O-CB 3.31Å; E348-S351 PolarHBondContact O-N 3.18Å; E348-R352 WeakPolarHBondContact O-CB 3.43Å; E348-R352 VanDerWaalsContact O-CG 3.31Å; E348-R352 WeakPolarHBondContact O-CG 3.24Å; E348-R352 PolarHBondContact O-N 3.05Å; E348-R352 IonicContact OE1-CZ 2.58Å; E348-R352 VanDerWaalsContact OE1-CZ 3.32Å; E348-R352 IonicContact OE1-NE 2.76Å; E348-R352 PolarHBondContact OE1-NE 3.37Å; E348-R352 IonicContact OE1-NH2 2.99Å; E348-R352 PolarHBondContact OE1-NH2 3.16Å
349G97.7Very high95.8Very high0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-59.7-42.1173.500000112.5W306 F345 C346 E347 R352 T353W306-G349 VanDerWaalsContact CZ2-CA 3.42Å; F345-G349 PolarHBondContact O-N 3.27Å; C346-G349 PolarHBondContact O-N 3.23Å; E347-G349 VanDerWaalsContact C-N 3.32Å; G349-R352 PolarHBondContact O-N 3.46Å; G349-T353 VanDerWaalsContact O-CG2 3.31Å; G349-T353 WeakPolarHBondContact O-CG2 3.37Å; G349-T353 PolarHBondContact O-N 3.39Å; G349-T353 PolarHBondContact O-OG1 3.2Å
350L96.5Very high95.6Very high16 Ų1645.8 Ų45.88%0.08422%0.219CC..Hα-helixtrans-63.1-43.9174.3-67.3178.4000112R257 C346 E347 E348 R352 T353 E354 W367 Y400 T403R257-L350 VanDerWaalsContact CZ-CD2 3.45Å; R257-L350 VanDerWaalsContact NH2-CD2 3.28Å; C346-L350 WeakPolarHBondContact O-CG 3.47Å; C346-L350 PolarHBondContact O-N 3.47Å; E347-L350 PolarHBondContact O-N 2.91Å; E348-L350 VanDerWaalsContact C-N 3.33Å; E348-L350 PolarHBondContact O-N 3.01Å; L350-R352 PolarHBondContact O-N 3.07Å; L350-T353 WeakPolarHBondContact CA-OG1 3.28Å; L350-T353 PolarHBondContact O-N 2.78Å; L350-T353 PolarHBondContact O-OG1 3.37Å; L350-E354 PolarHBondContact O-N 2.86Å; L350-E354 VanDerWaalsContact O-N 3.13Å; L350-W367 HydrophobicContact CD2-CZ3 3.98Å; L350-W367 HydrophobicContact CG-CZ3 4.17Å; L350-Y400 HydrophobicContact CD1-CD1 3.97Å; L350-Y400 HydrophobicContact CD1-CE1 3.93Å; L350-T403 HydrophobicContact CD2-CG2 3.84Å
351S96.3Very high95.1Very high62 Ų6244 Ų4443%0.43423%0.227SC..Hα-helixtrans-59.1-46.1174.8-1720000111.9E347 E348 T353 E354 E355E347-S351 PolarHBondContact O-N 2.86Å; E348-S351 WeakPolarHBondContact O-CB 3.31Å; E348-S351 PolarHBondContact O-N 3.18Å; S351-T353 PolarHBondContact O-N 2.98Å; S351-E354 WeakPolarHBondContact O-CB 3.49Å; S351-E354 PolarHBondContact O-N 3.46Å; S351-E355 PolarHBondContact O-N 3.12Å
352R97.7Very high94.8Very high68 Ų6847 Ų4726%0.25724%0.24SC..Hα-helixtrans-66.4-33.6-179.8-72.8174.7177.6-83.70.7113.3W306 P315 E348 G349 L350 E355 A356W306-R352 VanDerWaalsContact CB-CZ 3.47Å; P315-R352 HydrophobicContact CB-CB 3.96Å; P315-R352 HydrophobicContact CG-CB 3.64Å; E348-R352 WeakPolarHBondContact O-CB 3.43Å; E348-R352 VanDerWaalsContact O-CG 3.31Å; E348-R352 WeakPolarHBondContact O-CG 3.24Å; E348-R352 PolarHBondContact O-N 3.05Å; E348-R352 IonicContact OE1-CZ 2.58Å; E348-R352 VanDerWaalsContact OE1-CZ 3.32Å; E348-R352 IonicContact OE1-NE 2.76Å; E348-R352 PolarHBondContact OE1-NE 3.37Å; E348-R352 IonicContact OE1-NH2 2.99Å; E348-R352 PolarHBondContact OE1-NH2 3.16Å; G349-R352 PolarHBondContact O-N 3.46Å; L350-R352 PolarHBondContact O-N 3.07Å; R352-E355 PolarHBondContact O-N 2.93Å; R352-A356 VanDerWaalsContact O-CB 3.26Å; R352-A356 WeakPolarHBondContact O-CB 3.44Å; R352-A356 PolarHBondContact O-N 3.45Å
353T96Very high94.4Very high8 Ų848.4 Ų48.45%0.04925%0.25CC..Hα-helixtrans-70.1-36.8174.753.40000111.9P315 G349 L350 S351 A356 T357 I364 A366 W367P315-T353 HydrophobicContact CG-CG2 3.91Å; G349-T353 VanDerWaalsContact O-CG2 3.31Å; G349-T353 WeakPolarHBondContact O-CG2 3.37Å; G349-T353 PolarHBondContact O-N 3.39Å; G349-T353 PolarHBondContact O-OG1 3.2Å; L350-T353 WeakPolarHBondContact CA-OG1 3.28Å; L350-T353 PolarHBondContact O-N 2.78Å; L350-T353 PolarHBondContact O-OG1 3.37Å; S351-T353 PolarHBondContact O-N 2.98Å; T353-A356 PolarHBondContact O-N 2.99Å; T353-T357 PolarHBondContact O-N 2.78Å; T353-T357 PolarHBondContact O-OG1 3.09Å; T353-I364 CarbonylContact C-O 3.53Å; T353-I364 WeakPolarHBondContact CB-O 3.37Å; T353-I364 HydrophobicContact CG2-CG2 4.15Å; T353-I364 VanDerWaalsContact O-O 3.09Å; T353-A366 WeakPolarHBondContact CG2-O 3.2Å; T353-W367 HydrophobicContact CG2-CE3 4.23Å
354E92.9Very high94.2Very high96 Ų9648.8 Ų48.845%0.44925%0.251SS..Hα-helixtrans-63.7-43.2171.2-167.9-172.6144.600111.6L350 S351 T357 K358L350-E354 PolarHBondContact O-N 2.86Å; L350-E354 VanDerWaalsContact O-N 3.13Å; S351-E354 WeakPolarHBondContact O-CB 3.49Å; S351-E354 PolarHBondContact O-N 3.46Å; E354-T357 WeakPolarHBondContact O-CB 3.16Å; E354-T357 PolarHBondContact O-N 2.84Å; E354-K358 WeakPolarHBondContact O-CG 3.31Å; E354-K358 PolarHBondContact O-N 3.04Å; E354-K358 WeakPolarHBondContact OE1-CE 3.27Å; E354-K358 IonicContact OE1-NZ 3.36Å; E354-K358 PolarHBondContact OE1-NZ 3.01Å
355E94.8Very high94Very high98 Ų9849.8 Ų49.846%0.45826%0.26SS..Hα-helixtrans-63.6-46.2175.2-173.8176.7-160.700111.9S351 R352 T357 K358 I359S351-E355 PolarHBondContact O-N 3.12Å; R352-E355 PolarHBondContact O-N 2.93Å; E355-T357 VanDerWaalsContact C-N 3.26Å; E355-T357 PolarHBondContact O-N 2.81Å; E355-K358 WeakPolarHBondContact O-CA 3.47Å; E355-K358 WeakPolarHBondContact O-CB 3.48Å; E355-K358 PolarHBondContact O-N 3.31Å; E355-I359 HydrophobicContact CG-CD1 3.83Å; E355-I359 HydrophobicContact CG-CG1 4.42Å; E355-I359 WeakPolarHBondContact O-CG1 3.35Å; E355-I359 PolarHBondContact O-N 2.87Å
356A95.5Very high93.9Very high0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-57.3-40.7175.700000111.8Y309 G313 P315 R352 T353 K358 I359 F360 I364Y309-A356 HydrophobicContact CD1-CB 4.28Å; Y309-A356 HydrophobicContact CE1-CB 3.77Å; G313-A356 WeakPolarHBondContact O-CB 3.49Å; P315-A356 HydrophobicContact CG-CB 4.39Å; R352-A356 VanDerWaalsContact O-CB 3.26Å; R352-A356 WeakPolarHBondContact O-CB 3.44Å; R352-A356 PolarHBondContact O-N 3.45Å; T353-A356 PolarHBondContact O-N 2.99Å; A356-K358 VanDerWaalsContact C-N 3.27Å; A356-K358 PolarHBondContact O-N 3.42Å; A356-I359 PolarHBondContact O-N 2.57Å; A356-F360 HydrophobicContact CB-CD2 4.18Å; A356-F360 HydrophobicContact CB-CE2 4.38Å; A356-F360 VanDerWaalsContact O-CD2 3.27Å; A356-F360 WeakPolarHBondContact O-CD2 3.42Å; A356-F360 PolarHBondContact O-N 3.1Å; A356-I364 HydrophobicContact CB-CB 3.97Å; A356-I364 HydrophobicContact CB-CG1 4.02Å; A356-I364 HydrophobicContact CB-CG2 3.86Å
357T91.6Very high93.9Very high17 Ų1749 Ų4910%0.10426%0.258CS..Hα-helixtrans-58.9-40.1175.4-62.20000111.9F222 T353 E354 E355 G361 K362 I364F222-T357 HydrophobicContact CD1-CG2 4.23Å; T353-T357 PolarHBondContact O-N 2.78Å; T353-T357 PolarHBondContact O-OG1 3.09Å; E354-T357 WeakPolarHBondContact O-CB 3.16Å; E354-T357 PolarHBondContact O-N 2.84Å; E355-T357 VanDerWaalsContact C-N 3.26Å; E355-T357 PolarHBondContact O-N 2.81Å; T357-G361 WeakPolarHBondContact O-CA 3.48Å; T357-G361 PolarHBondContact O-N 2.81Å; T357-G361 VanDerWaalsContact O-N 3.11Å; T357-K362 WeakPolarHBondContact CA-O 3.45Å; T357-I364 PolarHBondContact OG1-N 3.44Å; T357-I364 PolarHBondContact OG1-O 2.99Å
358K90.7Very high93.9Very high140 Ų14048 Ų4861%0.60925%0.253SS*.Hα-helixtrans-69.7-42.1177.2-65.6167.1-172.5164.10111.8E354 E355 A356E354-K358 WeakPolarHBondContact O-CG 3.31Å; E354-K358 PolarHBondContact O-N 3.04Å; E354-K358 WeakPolarHBondContact OE1-CE 3.27Å; E354-K358 IonicContact OE1-NZ 3.36Å; E354-K358 PolarHBondContact OE1-NZ 3.01Å; E355-K358 WeakPolarHBondContact O-CA 3.47Å; E355-K358 WeakPolarHBondContact O-CB 3.48Å; E355-K358 PolarHBondContact O-N 3.31Å; A356-K358 VanDerWaalsContact C-N 3.27Å; A356-K358 PolarHBondContact O-N 3.42Å
359I92.5Very high93.9Very high96 Ų9646.6 Ų46.649%0.49225%0.248SC..Hα-helixtrans-68.2-52-178.3-68168.8000111.5E355 A356 G361E355-I359 HydrophobicContact CG-CD1 3.83Å; E355-I359 HydrophobicContact CG-CG1 4.42Å; E355-I359 WeakPolarHBondContact O-CG1 3.35Å; E355-I359 PolarHBondContact O-N 2.87Å; A356-I359 PolarHBondContact O-N 2.57Å; I359-G361 VanDerWaalsContact C-N 3.34Å
360F91.1Very high93.9Very high86 Ų8646.7 Ų46.738%0.37725%0.248SC..Hα-helixtrans-86-7.4-173.8-64.5-71.1000113.3Y309 G313 A356 K362Y309-F360 AromaticContact CD1-CE2 3.75Å; Y309-F360 HydrophobicContact CD1-CE2 3.75Å; Y309-F360 HydrophobicContact CD1-CZ 4.33Å; Y309-F360 AromaticContact CD2-CE2 3.91Å; Y309-F360 HydrophobicContact CD2-CE2 3.91Å; Y309-F360 AromaticContact CD2-CZ 3.75Å; Y309-F360 HydrophobicContact CD2-CZ 3.75Å; Y309-F360 HydrophobicContact CE1-CE2 4.07Å; Y309-F360 HydrophobicContact CE2-CE2 4.2Å; Y309-F360 HydrophobicContact CE2-CZ 4.28Å; Y309-F360 AromaticContact CG-CE2 3.67Å; Y309-F360 HydrophobicContact CG-CE2 3.67Å; Y309-F360 AromaticContact CG-CZ 3.77Å; Y309-F360 HydrophobicContact CG-CZ 3.77Å; G313-F360 WeakPolarHBondContact O-CE2 3.45Å; A356-F360 HydrophobicContact CB-CD2 4.18Å; A356-F360 HydrophobicContact CB-CE2 4.38Å; A356-F360 VanDerWaalsContact O-CD2 3.27Å; A356-F360 WeakPolarHBondContact O-CD2 3.42Å; A356-F360 PolarHBondContact O-N 3.1Å; F360-K362 HydrophobicContact CB-CG 3.97Å; F360-K362 PolarHBondContact O-N 2.83Å; F360-K362 VanDerWaalsContact O-N 3.12Å
361G86.1Confident93.9Very high56 Ų5646.3 Ų46.358%0.57725%0.246SC*.SBendtrans63.317.5179.100000114.1T357 I359T357-G361 WeakPolarHBondContact O-CA 3.48Å; T357-G361 PolarHBondContact O-N 2.81Å; T357-G361 VanDerWaalsContact O-N 3.11Å; I359-G361 VanDerWaalsContact C-N 3.34Å
362K89Confident93.8Very high85 Ų8543.3 Ų43.337%0.3723%0.225SC..SBendtrans-133.1151.2179.471.3-179.4-176.1174.90109.3E312 T357 F360 I364E312-K362 WeakPolarHBondContact O-CE 3.41Å; E312-K362 PolarHBondContact O-NZ 2.7Å; T357-K362 WeakPolarHBondContact CA-O 3.45Å; F360-K362 HydrophobicContact CB-CG 3.97Å; F360-K362 PolarHBondContact O-N 2.83Å; F360-K362 VanDerWaalsContact O-N 3.12Å; K362-I364 HydrophobicContact CG-CD1 4.17Å; K362-I364 PolarHBondContact O-N 2.86Å
363P89.1Confident93.5Very high53 Ų5340.2 Ų40.234%0.34421%0.214SC..  trans-64.6116.2-177.129.1-39.7000111.6
364I93.3Very high93.1Very high15 Ų1543.1 Ų43.18%0.07723%0.229CC..  trans-116.9112.3171.7-57-61.6000107.7E312 R314 T353 A356 T357 K362E312-I364 VanDerWaalsContact O-CD1 3.25Å; E312-I364 WeakPolarHBondContact O-CD1 3.21Å; R314-I364 HydrophobicContact CG-CG2 4.39Å; T353-I364 CarbonylContact C-O 3.53Å; T353-I364 WeakPolarHBondContact CB-O 3.37Å; T353-I364 HydrophobicContact CG2-CG2 4.15Å; T353-I364 VanDerWaalsContact O-O 3.09Å; A356-I364 HydrophobicContact CB-CB 3.97Å; A356-I364 HydrophobicContact CB-CG1 4.02Å; A356-I364 HydrophobicContact CB-CG2 3.86Å; T357-I364 PolarHBondContact OG1-N 3.44Å; T357-I364 PolarHBondContact OG1-O 2.99Å; K362-I364 HydrophobicContact CG-CD1 4.17Å; K362-I364 PolarHBondContact O-N 2.86Å
365S92.1Very high92.7Very high39 Ų3940 Ų4027%0.27322%0.223SC..  trans-119.14.7-177.668.20000113.8
366A95.9Very high92.2Very high10 Ų1035.8 Ų35.88%0.08320%0.204CC..  trans-145.6155.1-172.400000111.1R314 T353 T403R314-A366 VanDerWaalsContact CB-O 3.3Å; R314-A366 WeakPolarHBondContact CB-O 3.31Å; R314-A366 WeakPolarHBondContact CG-O 3.47Å; T353-A366 WeakPolarHBondContact CG2-O 3.2Å; A366-T403 CarbonylContact C-O 3.34Å; A366-T403 WeakPolarHBondContact CA-O 3.31Å; A366-T403 VanDerWaalsContact CB-O 3.23Å; A366-T403 WeakPolarHBondContact CB-O 3.48Å
367W97.7Very high91.3Very high10 Ų1036.7 Ų36.74%0.03821%0.21CC..EExtended strand (participates in β ladder)trans-110.8162.8174.156.481.4000111.5W306 P315 F345 C346 L350 T353 T403 G405W306-W367 HydrophobicContact CH2-CB 4.25Å; W306-W367 HydrophobicContact CH2-CD2 4.29Å; W306-W367 HydrophobicContact CH2-CG 4.12Å; W306-W367 HydrophobicContact CZ3-CB 4.04Å; W306-W367 HydrophobicContact CZ3-CG 4.36Å; P315-W367 HydrophobicContact CB-CB 4.34Å; P315-W367 WeakPolarHBondContact O-CA 3.32Å; P315-W367 VanDerWaalsContact O-CB 3.25Å; P315-W367 WeakPolarHBondContact O-CB 3.48Å; F345-W367 HydrophobicContact CE1-CZ2 4.25Å; F345-W367 HydrophobicContact CZ-CZ2 4.44Å; F345-W367 AromaticContact CZ-NE1 3.7Å; C346-W367 HydrophobicContact CB-CH2 4.41Å; L350-W367 HydrophobicContact CD2-CZ3 3.98Å; L350-W367 HydrophobicContact CG-CZ3 4.17Å; T353-W367 HydrophobicContact CG2-CE3 4.23Å; W367-T403 HydrophobicContact CH2-CG2 3.8Å; W367-T403 HydrophobicContact CZ3-CG2 3.96Å; W367-T403 PolarHBondContact N-O 3.21Å; W367-G405 PolarHBondContact O-N 2.99Å
368T97.9Very high90.4Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-107.4133.9175-67.70000109.1D310 P315 L316 Y317 S406 L408D310-T368 PolarHBondContact OD2-OG1 2.86Å; P315-T368 PolarHBondContact O-N 2.86Å; L316-T368 WeakPolarHBondContact CA-O 3.44Å; L316-T368 HydrophobicContact CD1-CG2 3.64Å; Y317-T368 PolarHBondContact N-O 3.22Å; T368-S406 CarbonylContact C-O 3.47Å; T368-S406 WeakPolarHBondContact CA-O 3Å; T368-L408 HydrophobicContact CG2-CD1 3.87Å; T368-L408 HydrophobicContact CG2-CG 4.24Å
369L97.7Very high89.7Confident24 Ų2433.3 Ų33.313%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-109115.7177.8-173.668.5000109.8Y317 F319 V371 S406 M407 L408Y317-L369 HydrophobicContact CD1-CD1 3.45Å; Y317-L369 VanDerWaalsContact CD1-CD1 3.45Å; Y317-L369 HydrophobicContact CE1-CD1 4.43Å; Y317-L369 HydrophobicContact CG-CD1 4.08Å; Y317-L369 WeakPolarHBondContact O-CA 3.28Å; F319-L369 HydrophobicContact CB-CD1 4.24Å; L369-V371 HydrophobicContact CD2-CG2 3.5Å; L369-V371 HydrophobicContact CG-CG2 3.59Å; L369-S406 PolarHBondContact N-O 2.87Å; L369-M407 HydrophobicContact CB-CE 4.5Å; L369-M407 HydrophobicContact CB-CG 4.49Å; L369-M407 HydrophobicContact CD2-CE 3.45Å; L369-M407 VanDerWaalsContact CD2-CE 3.45Å; L369-M407 HydrophobicContact CD2-CG 4.45Å; L369-M407 HydrophobicContact CD2-SD 4.21Å; L369-M407 CarbonylContact O-C 3.48Å; L369-M407 WeakPolarHBondContact O-CA 3.4Å; L369-L408 PolarHBondContact O-N 2.74Å
370L96.7Very high89.3Confident1 Ų129.5 Ų29.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-96.5107170.5174.259.9000109.4L316 Y317 I318 F319 L408 V410 L447 M451 L460L316-L370 HydrophobicContact CD1-CB 4.02Å; Y317-L370 PolarHBondContact O-N 2.83Å; I318-L370 WeakPolarHBondContact CA-O 3.45Å; I318-L370 HydrophobicContact CD1-CD2 4.22Å; I318-L370 HydrophobicContact CG1-CB 4.28Å; I318-L370 HydrophobicContact CG1-CD2 4.16Å; F319-L370 PolarHBondContact N-O 3.41Å; L370-L408 CarbonylContact C-O 3.46Å; L370-L408 WeakPolarHBondContact CA-O 3.39Å; L370-L408 HydrophobicContact CB-CB 4.49Å; L370-L408 HydrophobicContact CD1-CB 3.72Å; L370-L408 HydrophobicContact CD1-CD1 4.46Å; L370-V410 HydrophobicContact CD1-CG1 3.89Å; L370-V410 HydrophobicContact CD1-CG2 4.09Å; L370-L447 HydrophobicContact CD1-CD2 3.76Å; L370-L447 HydrophobicContact CD2-CD2 4.42Å; L370-M451 HydrophobicContact CD2-SD 4.42Å; L370-L460 HydrophobicContact CD2-CD1 3.85Å
371V96.4Very high88.8Confident8 Ų826.5 Ų26.55%0.04816%0.161CC..EExtended strand (participates in β ladder)trans-102.3115.9-179-1700000110.1F319 L321 L369 L373 M407 L408 I409 V410F319-V371 HydrophobicContact CD1-CG1 4.25Å; F319-V371 CarbonylContact O-C 3.59Å; F319-V371 VanDerWaalsContact O-CA 3.27Å; F319-V371 WeakPolarHBondContact O-CA 3.49Å; L321-V371 HydrophobicContact CB-CG1 3.82Å; L321-V371 HydrophobicContact CD2-CG1 4.41Å; L369-V371 HydrophobicContact CD2-CG2 3.5Å; L369-V371 HydrophobicContact CG-CG2 3.59Å; V371-L373 HydrophobicContact CG1-CD2 3.7Å; V371-L373 HydrophobicContact CG1-CG 4.47Å; V371-M407 HydrophobicContact CG2-CG 4.18Å; V371-M407 HydrophobicContact CG2-SD 4.21Å; V371-L408 PolarHBondContact N-O 3.16Å; V371-I409 HydrophobicContact CB-CG1 4.33Å; V371-I409 WeakPolarHBondContact O-CA 3.44Å; V371-V410 PolarHBondContact O-N 3.17Å
372D94.1Very high88.4Confident0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans-94.9122.5172.9171.241.8000110.6F319 R320 L321 G322 D374 V410 R411 F459F319-D372 PolarHBondContact O-N 2.92Å; R320-D372 CarbonylContact C-O 3.37Å; R320-D372 WeakPolarHBondContact CA-O 3.42Å; R320-D372 HydrophobicContact CB-CB 4.25Å; R320-D372 HydrophobicContact CG-CB 4.04Å; R320-D372 IonicContact CZ-OD2 3.34Å; R320-D372 IonicContact NE-OD2 3.39Å; R320-D372 PolarHBondContact NE-OD2 3.32Å; R320-D372 IonicContact NH2-OD2 3.99Å; R320-D372 PolarHBondContact NH2-OD2 3.32Å; L321-D372 PolarHBondContact N-O 3.47Å; G322-D372 PolarHBondContact N-O 2.96Å; D372-D374 WeakPolarHBondContact OD1-CB 3.28Å; D372-D374 PolarHBondContact OD1-N 3.19Å; D372-V410 HydrophobicContact CB-CG2 4.04Å; D372-R411 IonicContact OD1-CZ 3.26Å; D372-R411 VanDerWaalsContact OD1-CZ 3.26Å; D372-R411 IonicContact OD1-NE 2.73Å; D372-R411 PolarHBondContact OD1-NE 3.33Å; D372-R411 IonicContact OD1-NH2 3.85Å; D372-R411 PolarHBondContact OD1-NH2 3.42Å; D372-R411 IonicContact OD2-CZ 2.67Å; D372-R411 IonicContact OD2-NH2 2.79Å; D372-R411 PolarHBondContact OD2-NH2 3.08Å; D372-F459 HydrophobicContact CB-CE2 4.36Å
373L92.2Very high87.9Confident2 Ų231.9 Ų31.91%0.0116%0.161CC..  trans-101.96.7-177-59.8-172.3000113.7L321 V371 G375 M376 I409 V410 A412 F416L321-L373 HydrophobicContact CB-CD2 3.89Å; L321-L373 HydrophobicContact CD2-CD2 3.67Å; L321-L373 HydrophobicContact CG-CD2 4.17Å; V371-L373 HydrophobicContact CG1-CD2 3.7Å; V371-L373 HydrophobicContact CG1-CG 4.47Å; L373-G375 PolarHBondContact O-N 3.46Å; L373-M376 HydrophobicContact CB-CB 4.29Å; L373-M376 HydrophobicContact CD1-SD 4.26Å; L373-M376 HydrophobicContact CD2-SD 4.2Å; L373-M376 WeakPolarHBondContact O-CB 3.49Å; L373-M376 PolarHBondContact O-N 3.43Å; L373-I409 HydrophobicContact CD1-CG2 3.33Å; L373-I409 HydrophobicContact CG-CG2 3.79Å; L373-V410 PolarHBondContact N-O 3.38Å; L373-A412 HydrophobicContact CD1-CB 3.92Å; L373-F416 HydrophobicContact CD1-CB 4.08Å; L373-F416 HydrophobicContact CD1-CD2 3.21Å; L373-F416 HydrophobicContact CD1-CE2 3.7Å; L373-F416 HydrophobicContact CD1-CG 3.68Å
374D88Confident87.6Confident69 Ų6931 Ų3137%0.36916%0.156SC..THydrogen-bonded Turntrans-63.4128.9174.8-171.524000111.6G322 Q323 D372 M376 R411G322-D374 CarbonylContact C-O 3.03Å; G322-D374 VanDerWaalsContact CA-O 3.31Å; G322-D374 WeakPolarHBondContact CA-O 3.38Å; Q323-D374 PolarHBondContact NE2-O 3.42Å; D372-D374 WeakPolarHBondContact OD1-CB 3.28Å; D372-D374 PolarHBondContact OD1-N 3.19Å; D374-M376 VanDerWaalsContact C-N 3.35Å; D374-R411 HydrophobicContact CB-CB 4.13Å; D374-R411 VanDerWaalsContact CB-NE 3.32Å; D374-R411 IonicContact OD2-CZ 3.73Å; D374-R411 VanDerWaalsContact OD2-CZ 3.26Å; D374-R411 IonicContact OD2-NE 3.31Å; D374-R411 IonicContact OD2-NH1 3.33Å; D374-R411 PolarHBondContact OD2-NH1 2.97Å; D374-R411 IonicContact OD2-NH2 3.8Å
375G84.2Confident87.2Confident32 Ų3230.4 Ų30.433%0.3315%0.153SC..THydrogen-bonded Turntrans87.4-6.8-168.400000114.9G322 L373 S377 H380G322-G375 CarbonylContact O-C 3.55Å; G322-G375 VanDerWaalsContact O-O 3.1Å; L373-G375 PolarHBondContact O-N 3.46Å; G375-S377 PolarHBondContact O-N 2.91Å; G375-H380 PolarHBondContact O-CE1 3.04Å
376M83.6Confident86.9Confident9 Ų929.3 Ų29.34%0.04414%0.144CC..  trans-63.9115.7176.2-178.6-167.1166.300110G322 L373 D374 H380 L381 P413 V415 F416 L419G322-M376 VanDerWaalsContact CA-N 3.33Å; L373-M376 HydrophobicContact CB-CB 4.29Å; L373-M376 HydrophobicContact CD1-SD 4.26Å; L373-M376 HydrophobicContact CD2-SD 4.2Å; L373-M376 WeakPolarHBondContact O-CB 3.49Å; L373-M376 PolarHBondContact O-N 3.43Å; D374-M376 VanDerWaalsContact C-N 3.35Å; M376-H380 HydrophobicContact CG-CB 4.5Å; M376-L381 HydrophobicContact CE-CD2 4.11Å; M376-P413 HydrophobicContact CB-CG 3.81Å; M376-P413 HydrophobicContact CG-CG 4.37Å; M376-P413 WeakPolarHBondContact O-CG 3.27Å; M376-P413 HydrophobicContact SD-CG 4.42Å; M376-V415 HydrophobicContact CE-CG1 4.33Å; M376-V415 HydrophobicContact CG-CG1 4.31Å; M376-V415 VanDerWaalsContact O-CG1 3.26Å; M376-V415 WeakPolarHBondContact O-CG1 3.28Å; M376-F416 HydrophobicContact SD-CB 4.25Å; M376-F416 HydrophobicContact SD-CD2 4.38Å; M376-L419 HydrophobicContact CE-CB 3.56Å; M376-L419 HydrophobicContact CE-CD2 3.52Å; M376-L419 HydrophobicContact CE-CG 4.13Å; M376-L419 HydrophobicContact SD-CD2 4.12Å
377S77.1Confident86.5Confident18 Ų1836.6 Ų36.613%0.12617%0.169CC..  trans-121.1-179.2174.271.10000110.9G375 R379 H380 S586G375-S377 PolarHBondContact O-N 2.91Å; S377-R379 PolarHBondContact O-N 3Å; S377-R379 WeakPolarHBondContact OG-CD 3.39Å; S377-R379 WeakPolarHBondContact OG-CG 3.45Å; S377-R379 PolarHBondContact OG-N 3.03Å; S377-H380 PolarHBondContact N-CE1 3.16Å; S377-H380 PolarHBondContact N-ND1 3.01Å; S377-H380 PolarHBondContact O-N 3.49Å; S377-H380 PolarHBondContact O-ND1 3.15Å; S377-S586 WeakPolarHBondContact CB-OG 3.21Å
378I73.5Confident86.2Confident25 Ų2536.2 Ų36.213%0.12817%0.168CC..G310 helixtrans-58.3-20.9177.7-150.299.2000113.5H380 L381 V415 T519 L631I378-H380 PolarHBondContact O-N 2.58Å; I378-L381 HydrophobicContact CD1-CD1 3.87Å; I378-L381 HydrophobicContact CG1-CB 4.43Å; I378-L381 HydrophobicContact CG1-CD1 4.16Å; I378-L381 WeakPolarHBondContact O-CA 3.25Å; I378-L381 VanDerWaalsContact O-CB 3.29Å; I378-L381 WeakPolarHBondContact O-CB 3.37Å; I378-L381 PolarHBondContact O-N 2.98Å; I378-V415 HydrophobicContact CD1-CG2 4.07Å; I378-T519 HydrophobicContact CB-CG2 3.87Å; I378-T519 HydrophobicContact CD1-CG2 3.99Å; I378-T519 HydrophobicContact CG1-CG2 3.73Å; I378-T519 HydrophobicContact CG2-CG2 3.48Å; I378-T519 VanDerWaalsContact CG2-CG2 3.48Å; I378-L631 HydrophobicContact CD1-CD1 3.26Å; I378-L631 HydrophobicContact CG1-CD1 4.22Å
379R76.4Confident86Confident61 Ų6138.6 Ų38.623%0.2318%0.18CC..G310 helixtrans-58.5-30.8179.479.4-171.7172.6-169.4-5.3112.3G322 S377 L381 W382 Q584G322-R379 PolarHBondContact O-NH2 2.85Å; S377-R379 PolarHBondContact O-N 3Å; S377-R379 WeakPolarHBondContact OG-CD 3.39Å; S377-R379 WeakPolarHBondContact OG-CG 3.45Å; S377-R379 PolarHBondContact OG-N 3.03Å; R379-L381 PolarHBondContact O-N 3.13Å; R379-W382 VanDerWaalsContact O-CB 3.25Å; R379-W382 WeakPolarHBondContact O-CB 3.38Å; R379-W382 PolarHBondContact O-N 2.9Å; R379-Q584 HydrophobicContact CB-CB 3.63Å; R379-Q584 HydrophobicContact CB-CG 4.38Å
380H84Confident85.8Confident16 Ų1638.9 Ų38.97%0.07418%0.182CC..G310 helixtrans-76.3-15176.6-48.389.2000112.3G322 L324 G375 M376 S377 I378 W382G322-H380 PolarHBondContact O-CE1 2.8Å; G322-H380 PolarHBondContact O-NE2 2.84Å; L324-H380 PolarHBondContact O-CD2 3.39Å; L324-H380 PolarHBondContact O-NE2 3.1Å; G375-H380 PolarHBondContact O-CE1 3.04Å; M376-H380 HydrophobicContact CG-CB 4.5Å; S377-H380 PolarHBondContact N-CE1 3.16Å; S377-H380 PolarHBondContact N-ND1 3.01Å; S377-H380 PolarHBondContact O-N 3.49Å; S377-H380 PolarHBondContact O-ND1 3.15Å; I378-H380 PolarHBondContact O-N 2.58Å; H380-W382 VanDerWaalsContact C-N 3.29Å
381L79.3Confident85.7Confident23 Ų2341.4 Ų41.412%0.1220%0.195CC..G310 helixtrans-90.27.1175-53.3-176.6000112.8M376 I378 R379 R383 I386 V415 I418 L419 L422M376-L381 HydrophobicContact CE-CD2 4.11Å; I378-L381 HydrophobicContact CD1-CD1 3.87Å; I378-L381 HydrophobicContact CG1-CB 4.43Å; I378-L381 HydrophobicContact CG1-CD1 4.16Å; I378-L381 WeakPolarHBondContact O-CA 3.25Å; I378-L381 VanDerWaalsContact O-CB 3.29Å; I378-L381 WeakPolarHBondContact O-CB 3.37Å; I378-L381 PolarHBondContact O-N 2.98Å; R379-L381 PolarHBondContact O-N 3.13Å; L381-R383 PolarHBondContact O-N 3.13Å; L381-I386 HydrophobicContact CD2-CD1 4.03Å; L381-V415 HydrophobicContact CD1-CG2 3.72Å; L381-I418 HydrophobicContact CD1-CB 3.85Å; L381-I418 HydrophobicContact CD1-CD1 4.4Å; L381-I418 HydrophobicContact CD1-CG2 3.73Å; L381-L419 HydrophobicContact CD2-CB 3.77Å; L381-L419 HydrophobicContact CD2-CD1 3.94Å; L381-L419 HydrophobicContact CD2-CG 4.42Å; L381-L422 HydrophobicContact CD2-CD1 4.47Å
382W78.6Confident85.7Confident32 Ų3242 Ų4212%0.12120%0.198CC..  trans-56.2130.4176.1178.954.9000110.4K327 L330 R379 H380 P384 A385 I386 F486 L490K327-W382 HydrophobicContact CB-CE3 4.24Å; K327-W382 HydrophobicContact CB-CZ3 4.37Å; K327-W382 HydrophobicContact CG-CE3 4.38Å; K327-W382 HydrophobicContact CG-CZ3 4.28Å; L330-W382 HydrophobicContact CD2-CH2 3.89Å; L330-W382 HydrophobicContact CD2-CZ3 3.74Å; R379-W382 VanDerWaalsContact O-CB 3.25Å; R379-W382 WeakPolarHBondContact O-CB 3.38Å; R379-W382 PolarHBondContact O-N 2.9Å; H380-W382 VanDerWaalsContact C-N 3.29Å; W382-P384 HydrophobicContact CD2-CG 4.26Å; W382-P384 HydrophobicContact CE3-CB 4.3Å; W382-P384 HydrophobicContact CE3-CG 4.5Å; W382-P384 HydrophobicContact CH2-CB 3.44Å; W382-P384 VanDerWaalsContact CH2-CB 3.44Å; W382-P384 HydrophobicContact CH2-CG 3.46Å; W382-P384 VanDerWaalsContact CH2-CG 3.46Å; W382-P384 HydrophobicContact CZ2-CB 3.89Å; W382-P384 HydrophobicContact CZ2-CG 3.34Å; W382-P384 HydrophobicContact CZ3-CB 3.76Å; W382-P384 HydrophobicContact CZ3-CG 4.14Å; W382-A385 HydrophobicContact CB-CB 4.48Å; W382-A385 HydrophobicContact CE3-CB 4.1Å; W382-A385 WeakPolarHBondContact O-CA 3.35Å; W382-A385 VanDerWaalsContact O-CB 3.27Å; W382-A385 WeakPolarHBondContact O-CB 2.94Å; W382-A385 PolarHBondContact O-N 3.45Å; W382-I386 PolarHBondContact O-N 2.88Å; W382-F486 HydrophobicContact CH2-CD2 4.14Å; W382-F486 AromaticContact CH2-CE1 3.93Å; W382-F486 HydrophobicContact CH2-CE1 3.93Å; W382-F486 AromaticContact CH2-CE2 3.08Å; W382-F486 HydrophobicContact CH2-CE2 3.08Å; W382-F486 AromaticContact CH2-CZ 2.92Å; W382-F486 HydrophobicContact CH2-CZ 2.92Å; W382-F486 AromaticContact CZ2-CE1 3.8Å; W382-F486 HydrophobicContact CZ2-CE1 3.8Å; W382-F486 AromaticContact CZ2-CE2 3.81Å; W382-F486 HydrophobicContact CZ2-CE2 3.81Å; W382-F486 AromaticContact CZ2-CZ 3.23Å; W382-F486 HydrophobicContact CZ2-CZ 3.23Å; W382-F486 AromaticContact CZ3-CE2 3.86Å; W382-F486 HydrophobicContact CZ3-CE2 3.86Å; W382-F486 AromaticContact CZ3-CZ 3.76Å; W382-F486 HydrophobicContact CZ3-CZ 3.76Å; W382-L490 HydrophobicContact CZ2-CD1 4.17Å; W382-L490 HydrophobicContact CZ2-CD2 4.27Å
383R79Confident85.7Confident223 Ų22343.4 Ų43.484%0.84221%0.205SC*.Hα-helixtrans-52.6-47-164.7-74-174.2178.6-158.90.8114.5L381 A385 I386 R387L381-R383 PolarHBondContact O-N 3.13Å; R383-A385 VanDerWaalsContact C-N 3.31Å; R383-A385 PolarHBondContact O-N 3.11Å; R383-I386 PolarHBondContact O-N 3.28Å; R383-R387 PolarHBondContact O-N 3.31Å
384P81.2Confident85.7Confident35 Ų3548.8 Ų48.823%0.22723%0.23CC..Hα-helixtrans-62.8-36.1176-26.639.8000113.1L330 W382 R387 T388L330-P384 HydrophobicContact CD2-CB 4.06Å; W382-P384 HydrophobicContact CD2-CG 4.26Å; W382-P384 HydrophobicContact CE3-CB 4.3Å; W382-P384 HydrophobicContact CE3-CG 4.5Å; W382-P384 HydrophobicContact CH2-CB 3.44Å; W382-P384 VanDerWaalsContact CH2-CB 3.44Å; W382-P384 HydrophobicContact CH2-CG 3.46Å; W382-P384 VanDerWaalsContact CH2-CG 3.46Å; W382-P384 HydrophobicContact CZ2-CB 3.89Å; W382-P384 HydrophobicContact CZ2-CG 3.34Å; W382-P384 HydrophobicContact CZ3-CB 3.76Å; W382-P384 HydrophobicContact CZ3-CG 4.14Å; P384-R387 PolarHBondContact O-N 3.28Å; P384-T388 PolarHBondContact O-N 3.14Å; P384-T388 PolarHBondContact O-OG1 2.92Å
385A85.1Confident86.1Confident2 Ų247.3 Ų47.32%0.01722%0.222CC..Hα-helixtrans-62.7-45.5174.700000112.1F326 W382 R383 R387 T388 L389F326-A385 HydrophobicContact CB-CB 4.14Å; F326-A385 HydrophobicContact CD1-CB 3.24Å; F326-A385 HydrophobicContact CD2-CB 4.35Å; F326-A385 VanDerWaalsContact CE1-CA 3.43Å; F326-A385 HydrophobicContact CE1-CB 3.7Å; F326-A385 HydrophobicContact CG-CB 3.65Å; F326-A385 HydrophobicContact CZ-CB 4.41Å; W382-A385 HydrophobicContact CB-CB 4.48Å; W382-A385 HydrophobicContact CE3-CB 4.1Å; W382-A385 WeakPolarHBondContact O-CA 3.35Å; W382-A385 VanDerWaalsContact O-CB 3.27Å; W382-A385 WeakPolarHBondContact O-CB 2.94Å; W382-A385 PolarHBondContact O-N 3.45Å; R383-A385 VanDerWaalsContact C-N 3.31Å; R383-A385 PolarHBondContact O-N 3.11Å; A385-R387 VanDerWaalsContact C-N 3.34Å; A385-R387 PolarHBondContact O-N 3.32Å; A385-T388 PolarHBondContact O-N 3.46Å; A385-L389 WeakPolarHBondContact O-CB 3.27Å; A385-L389 PolarHBondContact O-N 2.65Å
386I86.5Confident86.6Confident16 Ų1647.4 Ų47.48%0.08222%0.216CC..Hα-helixtrans-62-42.7175.2-66.3-59.7000111.1L381 W382 R383 L389 L390 L419 L422L381-I386 HydrophobicContact CD2-CD1 4.03Å; W382-I386 PolarHBondContact O-N 2.88Å; R383-I386 PolarHBondContact O-N 3.28Å; I386-L389 WeakPolarHBondContact O-CB 3.44Å; I386-L389 PolarHBondContact O-N 3.43Å; I386-L390 HydrophobicContact CG2-CD1 4.12Å; I386-L390 HydrophobicContact CG2-CG 4.37Å; I386-L390 VanDerWaalsContact O-CG 3.31Å; I386-L390 WeakPolarHBondContact O-CG 3.11Å; I386-L390 PolarHBondContact O-N 2.82Å; I386-L419 HydrophobicContact CD1-CD1 3.58Å; I386-L422 HydrophobicContact CD1-CD1 4.2Å; I386-L422 HydrophobicContact CG1-CD1 4.24Å; I386-L422 HydrophobicContact CG2-CD1 4.3Å
387R88.5Confident87Confident163 Ų16350 Ų5062%0.61523%0.228SC*.Hα-helixtrans-58.4-52.7176.5-178.7-178.6177.2172.8-0.5111.4R383 P384 A385 L389 L390 D391R383-R387 PolarHBondContact O-N 3.31Å; P384-R387 PolarHBondContact O-N 3.28Å; A385-R387 VanDerWaalsContact C-N 3.34Å; A385-R387 PolarHBondContact O-N 3.32Å; R387-L389 VanDerWaalsContact C-N 3.27Å; R387-L389 PolarHBondContact O-N 2.84Å; R387-L390 PolarHBondContact O-N 3.47Å; R387-L390 VanDerWaalsContact O-N 3.14Å; R387-D391 PolarHBondContact O-N 2.88Å
388T90.8Very high87.8Confident2 Ų252.2 Ų52.21%0.01224%0.237CC..Hα-helixtrans-60.4-38.1178.3-51.80000111.6F326 E335 I338 P384 A385 D391 I392F326-T388 HydrophobicContact CE1-CG2 4.29Å; F326-T388 HydrophobicContact CZ-CG2 3.8Å; E335-T388 HydrophobicContact CG-CG2 4.38Å; E335-T388 PolarHBondContact OE1-OG1 3.47Å; I338-T388 HydrophobicContact CD1-CG2 4.49Å; I338-T388 HydrophobicContact CG2-CG2 4.35Å; P384-T388 PolarHBondContact O-N 3.14Å; P384-T388 PolarHBondContact O-OG1 2.92Å; A385-T388 PolarHBondContact O-N 3.46Å; T388-D391 PolarHBondContact O-N 3.41Å; T388-I392 HydrophobicContact CG2-CD1 4.12Å; T388-I392 WeakPolarHBondContact O-CD1 3.4Å; T388-I392 VanDerWaalsContact O-CG1 3.25Å; T388-I392 WeakPolarHBondContact O-CG1 3.45Å; T388-I392 PolarHBondContact O-N 3.37Å
389L93.4Very high88.8Confident50 Ų5051.2 Ų51.226%0.26223%0.231SC..Hα-helixtrans-62-43.8175176.262.1000112.1A385 I386 R387 I392 I393 L419 V423A385-L389 WeakPolarHBondContact O-CB 3.27Å; A385-L389 PolarHBondContact O-N 2.65Å; I386-L389 WeakPolarHBondContact O-CB 3.44Å; I386-L389 PolarHBondContact O-N 3.43Å; R387-L389 VanDerWaalsContact C-N 3.27Å; R387-L389 PolarHBondContact O-N 2.84Å; L389-I392 WeakPolarHBondContact O-CB 3.38Å; L389-I392 PolarHBondContact O-N 3.4Å; L389-I393 HydrophobicContact CD1-CD1 4.19Å; L389-I393 HydrophobicContact CD1-CG1 4.4Å; L389-I393 HydrophobicContact CG-CD1 4.11Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.43Å; L389-I393 PolarHBondContact O-N 3.11Å; L389-L419 HydrophobicContact CD2-CD1 3.98Å; L389-V423 HydrophobicContact CD2-CG2 3.91Å
390L93.5Very high89.8Confident29 Ų2948.5 Ų48.515%0.15222%0.221CC..Hα-helixtrans-64.8-41.7177.4-67.4177.1000111.5I386 R387 I392 I393 E394 V423 F426I386-L390 HydrophobicContact CG2-CD1 4.12Å; I386-L390 HydrophobicContact CG2-CG 4.37Å; I386-L390 VanDerWaalsContact O-CG 3.31Å; I386-L390 WeakPolarHBondContact O-CG 3.11Å; I386-L390 PolarHBondContact O-N 2.82Å; R387-L390 PolarHBondContact O-N 3.47Å; R387-L390 VanDerWaalsContact O-N 3.14Å; L390-I392 VanDerWaalsContact C-N 3.31Å; L390-I392 PolarHBondContact O-N 2.91Å; L390-I393 PolarHBondContact O-N 2.81Å; L390-I393 VanDerWaalsContact O-N 3.17Å; L390-E394 PolarHBondContact O-N 3.22Å; L390-V423 HydrophobicContact CD2-CG2 4.4Å; L390-F426 HydrophobicContact CD1-CE2 3.9Å; L390-F426 HydrophobicContact CD1-CZ 4.03Å; L390-F426 HydrophobicContact CD2-CD2 3.51Å; L390-F426 HydrophobicContact CD2-CE2 3.69Å; L390-F426 HydrophobicContact CD2-CG 3.97Å; L390-F426 HydrophobicContact CD2-CZ 4.27Å; L390-F426 HydrophobicContact CG-CE2 4.36Å
391D94.4Very high90.3Very high54 Ų5448.1 Ų48.129%0.28922%0.22SC..Hα-helixtrans-61.3-40.2175.5-64.5-20.6000111.4R387 T388 E394 I395R387-D391 PolarHBondContact O-N 2.88Å; T388-D391 PolarHBondContact O-N 3.41Å; D391-E394 PolarHBondContact O-N 3.26Å; D391-I395 WeakPolarHBondContact O-CG1 3.5Å; D391-I395 PolarHBondContact O-N 2.86Å; D391-I395 VanDerWaalsContact O-N 3.08Å
392I95.9Very high91Very high22 Ų2249.2 Ų49.211%0.11323%0.225CC..Hα-helixtrans-60.3-48.4173.4-73.4161.8000110.9I338 M339 V342 T388 L389 L390 E394 I395 V396I338-I392 HydrophobicContact CG2-CD1 3.87Å; M339-I392 HydrophobicContact CE-CB 4.5Å; M339-I392 HydrophobicContact CE-CG1 3.65Å; M339-I392 HydrophobicContact SD-CG1 4.44Å; V342-I392 HydrophobicContact CG1-CG2 3.91Å; V342-I392 HydrophobicContact CG2-CD1 3.99Å; V342-I392 HydrophobicContact CG2-CG1 4.19Å; V342-I392 HydrophobicContact CG2-CG2 4.24Å; T388-I392 HydrophobicContact CG2-CD1 4.12Å; T388-I392 WeakPolarHBondContact O-CD1 3.4Å; T388-I392 VanDerWaalsContact O-CG1 3.25Å; T388-I392 WeakPolarHBondContact O-CG1 3.45Å; T388-I392 PolarHBondContact O-N 3.37Å; L389-I392 WeakPolarHBondContact O-CB 3.38Å; L389-I392 PolarHBondContact O-N 3.4Å; L390-I392 VanDerWaalsContact C-N 3.31Å; L390-I392 PolarHBondContact O-N 2.91Å; I392-E394 VanDerWaalsContact C-N 3.32Å; I392-E394 PolarHBondContact O-N 3.4Å; I392-I395 PolarHBondContact O-N 2.82Å; I392-V396 HydrophobicContact CG2-CG2 4.21Å; I392-V396 WeakPolarHBondContact O-CB 3.48Å; I392-V396 VanDerWaalsContact O-CG2 3.25Å; I392-V396 WeakPolarHBondContact O-CG2 3.3Å; I392-V396 PolarHBondContact O-N 2.75Å
393I93.8Very high91.8Very high28 Ų2848 Ų4814%0.14422%0.221CC..Hα-helixtrans-61.2-43.9-178.2-70.5171.3000110.6L389 L390 V396 Q397 V423 F426L389-I393 HydrophobicContact CD1-CD1 4.19Å; L389-I393 HydrophobicContact CD1-CG1 4.4Å; L389-I393 HydrophobicContact CG-CD1 4.11Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.43Å; L389-I393 PolarHBondContact O-N 3.11Å; L390-I393 PolarHBondContact O-N 2.81Å; L390-I393 VanDerWaalsContact O-N 3.17Å; I393-V396 PolarHBondContact O-N 3.02Å; I393-Q397 HydrophobicContact CG2-CG 4.37Å; I393-Q397 WeakPolarHBondContact O-CB 3.21Å; I393-Q397 VanDerWaalsContact O-CG 3.32Å; I393-Q397 WeakPolarHBondContact O-CG 3.29Å; I393-Q397 PolarHBondContact O-N 3.27Å; I393-V423 HydrophobicContact CD1-CG1 3.45Å; I393-V423 VanDerWaalsContact CD1-CG1 3.45Å; I393-V423 HydrophobicContact CD1-CG2 4.41Å; I393-F426 HydrophobicContact CG2-CB 4.21Å
394E93.7Very high92.5Very high116 Ų11638.6 Ų38.654%0.54219%0.187SC..Hα-helixtrans-60.3-50.9178-173.9173.8-173.800111.3L390 D391 I392 V396 Q397 E398L390-E394 PolarHBondContact O-N 3.22Å; D391-E394 PolarHBondContact O-N 3.26Å; I392-E394 VanDerWaalsContact C-N 3.32Å; I392-E394 PolarHBondContact O-N 3.4Å; E394-V396 PolarHBondContact O-N 3.36Å; E394-Q397 PolarHBondContact O-N 2.87Å; E394-E398 WeakPolarHBondContact O-CB 3.41Å; E394-E398 PolarHBondContact O-N 2.69Å
395I95.1Very high93.1Very high38 Ų3837.6 Ų37.620%0.19518%0.182CC..Hα-helixtrans-61.5-44179.8-73.1168.1000111.5W279 M339 L343 D391 I392 E398 N399W279-I395 HydrophobicContact CH2-CG2 4.05Å; W279-I395 HydrophobicContact CZ2-CG2 3.59Å; M339-I395 HydrophobicContact CE-CD1 3.52Å; M339-I395 HydrophobicContact SD-CD1 3.72Å; M339-I395 HydrophobicContact SD-CG2 4.3Å; L343-I395 HydrophobicContact CD2-CG2 4.38Å; D391-I395 WeakPolarHBondContact O-CG1 3.5Å; D391-I395 PolarHBondContact O-N 2.86Å; D391-I395 VanDerWaalsContact O-N 3.08Å; I392-I395 PolarHBondContact O-N 2.82Å; I395-E398 PolarHBondContact O-N 2.79Å; I395-N399 WeakPolarHBondContact O-CB 3.39Å; I395-N399 PolarHBondContact O-N 2.9Å; I395-N399 PolarHBondContact O-ND2 2.81Å
396V95.3Very high93.5Very high33 Ų3338 Ų3820%0.219%0.185CC..Hα-helixtrans-68.1-43.5-178.2172.50000111V342 I392 I393 E394 E398 Y400V342-V396 HydrophobicContact CG1-CG2 3.88Å; I392-V396 HydrophobicContact CG2-CG2 4.21Å; I392-V396 WeakPolarHBondContact O-CB 3.48Å; I392-V396 VanDerWaalsContact O-CG2 3.25Å; I392-V396 WeakPolarHBondContact O-CG2 3.3Å; I392-V396 PolarHBondContact O-N 2.75Å; I393-V396 PolarHBondContact O-N 3.02Å; E394-V396 PolarHBondContact O-N 3.36Å; V396-E398 VanDerWaalsContact C-N 3.31Å; V396-E398 PolarHBondContact O-N 2.95Å; V396-Y400 CarbonylContact O-C 3.48Å; V396-Y400 VanDerWaalsContact O-CA 3.3Å; V396-Y400 WeakPolarHBondContact O-CA 3.5Å; V396-Y400 WeakPolarHBondContact O-CB 3.38Å; V396-Y400 PolarHBondContact O-N 3.5Å
397Q92Very high93.9Very high63 Ų6338.6 Ų38.629%0.29419%0.188SC..Hα-helixtrans-64.7-37.1177.7-75.4-17235.100112.8I393 E394 F426I393-Q397 HydrophobicContact CG2-CG 4.37Å; I393-Q397 WeakPolarHBondContact O-CB 3.21Å; I393-Q397 VanDerWaalsContact O-CG 3.32Å; I393-Q397 WeakPolarHBondContact O-CG 3.29Å; I393-Q397 PolarHBondContact O-N 3.27Å; E394-Q397 PolarHBondContact O-N 2.87Å; Q397-F426 PolarHBondContact NE2-O 3.26Å; Q397-F426 PolarHBondContact OE1-O 3.39Å
398E93.5Very high94.2Very high66 Ų6631 Ų3131%0.30816%0.159SC..Hα-helixtrans-73-41-179.8179164.6-134.200112.9K275 E394 I395 V396K275-E398 VanDerWaalsContact CD-OE1 3.27Å; K275-E398 WeakPolarHBondContact CD-OE1 3.17Å; K275-E398 WeakPolarHBondContact CE-OE1 3.3Å; K275-E398 IonicContact NZ-OE1 3.12Å; K275-E398 PolarHBondContact NZ-OE1 2.97Å; E394-E398 WeakPolarHBondContact O-CB 3.41Å; E394-E398 PolarHBondContact O-N 2.69Å; I395-E398 PolarHBondContact O-N 2.79Å; V396-E398 VanDerWaalsContact C-N 3.31Å; V396-E398 PolarHBondContact O-N 2.95Å
399N95.9Very high94.3Very high3 Ų331.2 Ų31.22%0.01616%0.16CC..Hα-helixtrans-105.1-17.3-169.6-65.1-74.4000114.4S276 W279 I395S276-N399 WeakPolarHBondContact CA-OD1 3.4Å; S276-N399 WeakPolarHBondContact CB-OD1 3.07Å; S276-N399 PolarHBondContact OG-OD1 2.87Å; W279-N399 HydrophobicContact CE3-CB 3.89Å; W279-N399 HydrophobicContact CH2-CB 4.22Å; W279-N399 HydrophobicContact CZ3-CB 3.68Å; I395-N399 WeakPolarHBondContact O-CB 3.39Å; I395-N399 PolarHBondContact O-N 2.9Å; I395-N399 PolarHBondContact O-ND2 2.81Å
400Y95.9Very high94.3Very high4 Ų428.8 Ų28.82%0.01615%0.148CC..SBendtrans-12650.8178.2-58.6-92.8000111.6W279 V285 L343 C346 E347 L350 V396 T403W279-Y400 HydrophobicContact CH2-CE2 4.32Å; W279-Y400 HydrophobicContact CZ3-CE2 4.41Å; V285-Y400 WeakPolarHBondContact CG1-OH 3.48Å; L343-Y400 HydrophobicContact CD2-CE2 4.06Å; C346-Y400 HydrophobicContact CB-CD1 3.65Å; C346-Y400 HydrophobicContact CB-CD2 4.15Å; C346-Y400 HydrophobicContact CB-CE1 3.38Å; C346-Y400 HydrophobicContact CB-CE2 3.92Å; C346-Y400 HydrophobicContact CB-CG 4.02Å; E347-Y400 WeakPolarHBondContact OE1-CE1 3.36Å; E347-Y400 PolarHBondContact OE1-OH 2.98Å; E347-Y400 VanDerWaalsContact OE1-OH 3.08Å; L350-Y400 HydrophobicContact CD1-CD1 3.97Å; L350-Y400 HydrophobicContact CD1-CE1 3.93Å; V396-Y400 CarbonylContact O-C 3.48Å; V396-Y400 VanDerWaalsContact O-CA 3.3Å; V396-Y400 WeakPolarHBondContact O-CA 3.5Å; V396-Y400 WeakPolarHBondContact O-CB 3.38Å; V396-Y400 PolarHBondContact O-N 3.5Å; Y400-T403 WeakPolarHBondContact O-CG2 3.16Å; Y400-T403 PolarHBondContact O-OG1 3.22Å
401P94.5Very high94Very high8 Ų829.6 Ų29.65%0.05215%0.149CC..THydrogen-bonded Turntrans-58.6148.7178.424.6-32.8000111.3R257 F258 A261 T403R257-P401 WeakPolarHBondContact CB-O 3.42Å; R257-P401 WeakPolarHBondContact CD-O 3.48Å; F258-P401 HydrophobicContact CD1-CG 3.64Å; F258-P401 HydrophobicContact CD2-CG 4.11Å; F258-P401 HydrophobicContact CE1-CG 3.61Å; F258-P401 HydrophobicContact CE2-CG 4.07Å; F258-P401 HydrophobicContact CG-CG 3.89Å; F258-P401 HydrophobicContact CZ-CG 3.83Å; A261-P401 HydrophobicContact CB-CB 3.52Å; A261-P401 HydrophobicContact CB-CG 4.4Å; P401-T403 PolarHBondContact O-N 2.84Å; P401-T403 VanDerWaalsContact O-N 3.12Å
402E93.8Very high93.5Very high47 Ų4728 Ų2822%0.2214%0.143CC..THydrogen-bonded Turntrans53.432.1173.9-61.6-62.4160.800115.1R257 R260 A261 K434R257-E402 HydrophobicContact CB-CB 4.22Å; R257-E402 HydrophobicContact CG-CB 4.17Å; R260-E402 HydrophobicContact CB-CG 3.78Å; A261-E402 HydrophobicContact CB-CG 4.36Å; E402-K434 IonicContact OE2-NZ 3.95Å; E402-K434 PolarHBondContact OE2-NZ 3.42Å
403T95.1Very high92.6Very high6 Ų628.8 Ų28.84%0.03715%0.149CC..  trans-97.7-21.2176.152.70000114.3L350 A366 W367 Y400 P401L350-T403 HydrophobicContact CD2-CG2 3.84Å; A366-T403 CarbonylContact C-O 3.34Å; A366-T403 WeakPolarHBondContact CA-O 3.31Å; A366-T403 VanDerWaalsContact CB-O 3.23Å; A366-T403 WeakPolarHBondContact CB-O 3.48Å; W367-T403 HydrophobicContact CH2-CG2 3.8Å; W367-T403 HydrophobicContact CZ3-CG2 3.96Å; W367-T403 PolarHBondContact N-O 3.21Å; Y400-T403 WeakPolarHBondContact O-CG2 3.16Å; Y400-T403 PolarHBondContact O-OG1 3.22Å; P401-T403 PolarHBondContact O-N 2.84Å; P401-T403 VanDerWaalsContact O-N 3.12Å
404M94.4Very high91.6Very high26 Ų2636.3 Ų36.313%0.12818%0.176CC..EExtended strand (participates in β ladder)trans-88.5121.5174.9-171.2172.978.500109.7M407 T431 K434 F435M404-M407 HydrophobicContact CE-CB 4.38Å; M404-M407 HydrophobicContact CE-CE 4.49Å; M404-M407 HydrophobicContact SD-CB 3.94Å; M404-M407 HydrophobicContact SD-CE 3.42Å; M404-M407 WeakPolarHBondContact SD-CE 3.07Å; M404-T431 HydrophobicContact CE-CG2 3.39Å; M404-K434 HydrophobicContact CE-CB 4.12Å; M404-K434 HydrophobicContact CE-CD 4.38Å; M404-K434 WeakPolarHBondContact O-CD 3.44Å; M404-K434 WeakPolarHBondContact O-CE 3.49Å; M404-K434 PolarHBondContact O-NZ 3.04Å; M404-F435 HydrophobicContact CE-CD2 4.16Å; M404-F435 HydrophobicContact CE-CE2 3.52Å; M404-F435 HydrophobicContact CE-CZ 4.18Å
405G93.6Very high90.7Very high13 Ų1331.6 Ų31.613%0.13416%0.155CC..EExtended strand (participates in β ladder)trans-88.3-47.7174.500000111W367W367-G405 PolarHBondContact O-N 2.99Å
406S93.7Very high90.1Very high10 Ų1030.4 Ų30.47%0.0715%0.149CC..EExtended strand (participates in β ladder)trans-151.5142.7-179.5-69.10000111R314 T368 L369R314-S406 PolarHBondContact NH1-OG 2.96Å; T368-S406 CarbonylContact C-O 3.47Å; T368-S406 WeakPolarHBondContact CA-O 3Å; L369-S406 PolarHBondContact N-O 2.87Å
407M94.8Very high89.3Confident30 Ų3029.7 Ų29.715%0.14815%0.145CC..EExtended strand (participates in β ladder)trans-118107.7169.3-173.9168.2-58.800109.6L369 V371 M404 I409 K434 F435 M436L369-M407 HydrophobicContact CB-CE 4.5Å; L369-M407 HydrophobicContact CB-CG 4.49Å; L369-M407 HydrophobicContact CD2-CE 3.45Å; L369-M407 VanDerWaalsContact CD2-CE 3.45Å; L369-M407 HydrophobicContact CD2-CG 4.45Å; L369-M407 HydrophobicContact CD2-SD 4.21Å; L369-M407 CarbonylContact O-C 3.48Å; L369-M407 WeakPolarHBondContact O-CA 3.4Å; V371-M407 HydrophobicContact CG2-CG 4.18Å; V371-M407 HydrophobicContact CG2-SD 4.21Å; M404-M407 HydrophobicContact CE-CB 4.38Å; M404-M407 HydrophobicContact CE-CE 4.49Å; M404-M407 HydrophobicContact SD-CB 3.94Å; M404-M407 HydrophobicContact SD-CE 3.42Å; M404-M407 WeakPolarHBondContact SD-CE 3.07Å; M407-I409 HydrophobicContact CG-CG1 4.1Å; M407-I409 HydrophobicContact SD-CD1 4.34Å; M407-I409 HydrophobicContact SD-CG1 4.43Å; M407-K434 PolarHBondContact N-O 3.16Å; M407-F435 HydrophobicContact CB-CD1 4.15Å; M407-F435 HydrophobicContact CB-CD2 4.41Å; M407-F435 HydrophobicContact CB-CE1 4.29Å; M407-F435 HydrophobicContact CB-CG 4.21Å; M407-F435 HydrophobicContact CB-CZ 4.46Å; M407-F435 HydrophobicContact CE-CE1 4.09Å; M407-F435 HydrophobicContact CE-CZ 3.93Å; M407-F435 HydrophobicContact CG-CD1 4.11Å; M407-F435 HydrophobicContact CG-CE1 4.07Å; M407-F435 CarbonylContact O-C 3.36Å; M407-F435 WeakPolarHBondContact O-CA 3.44Å; M407-F435 HydrophobicContact SD-CD1 3.75Å; M407-F435 HydrophobicContact SD-CE1 3.14Å; M407-F435 WeakPolarHBondContact SD-CE1 3.24Å; M407-F435 HydrophobicContact SD-CZ 3.61Å; M407-M436 PolarHBondContact O-N 3.19Å
408L94.5Very high88.6Confident2 Ų227.8 Ų27.81%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-94.4108.2179.4-59.1169.4000108.5T368 L369 L370 V371 M436 Y438 L447 Y450T368-L408 HydrophobicContact CG2-CD1 3.87Å; T368-L408 HydrophobicContact CG2-CG 4.24Å; L369-L408 PolarHBondContact O-N 2.74Å; L370-L408 CarbonylContact C-O 3.46Å; L370-L408 WeakPolarHBondContact CA-O 3.39Å; L370-L408 HydrophobicContact CB-CB 4.49Å; L370-L408 HydrophobicContact CD1-CB 3.72Å; L370-L408 HydrophobicContact CD1-CD1 4.46Å; V371-L408 PolarHBondContact N-O 3.16Å; L408-M436 HydrophobicContact CD2-CB 4.14Å; L408-M436 HydrophobicContact CD2-CE 3.18Å; L408-M436 HydrophobicContact CG-CE 4.05Å; L408-Y438 HydrophobicContact CD2-CE2 4.32Å; L408-L447 HydrophobicContact CD1-CD2 4.25Å; L408-Y450 HydrophobicContact CD1-CD2 4.46Å; L408-Y450 HydrophobicContact CD1-CG 4.16Å; L408-Y450 HydrophobicContact CD2-CD1 4.09Å; L408-Y450 HydrophobicContact CD2-CD2 3.6Å; L408-Y450 HydrophobicContact CD2-CE1 4.28Å; L408-Y450 HydrophobicContact CD2-CE2 3.83Å; L408-Y450 HydrophobicContact CD2-CG 3.75Å
409I93.2Very high88.2Confident7 Ų725.3 Ų25.34%0.03613%0.125CC..EExtended strand (participates in β ladder)trans-100.3120.2176.8-62.3-178000108.7V371 L373 M407 A412 F416 F435 M436 I437 Y438V371-I409 HydrophobicContact CB-CG1 4.33Å; V371-I409 WeakPolarHBondContact O-CA 3.44Å; L373-I409 HydrophobicContact CD1-CG2 3.33Å; L373-I409 HydrophobicContact CG-CG2 3.79Å; M407-I409 HydrophobicContact CG-CG1 4.1Å; M407-I409 HydrophobicContact SD-CD1 4.34Å; M407-I409 HydrophobicContact SD-CG1 4.43Å; I409-A412 HydrophobicContact CG2-CB 4.29Å; I409-F416 HydrophobicContact CD1-CE2 4.06Å; I409-F416 HydrophobicContact CD1-CZ 3.86Å; I409-F416 HydrophobicContact CG2-CE2 4.49Å; I409-F416 HydrophobicContact CG2-CZ 4.45Å; I409-F435 HydrophobicContact CD1-CD1 3.88Å; I409-F435 HydrophobicContact CD1-CE1 4.31Å; I409-M436 PolarHBondContact N-O 2.99Å; I409-I437 HydrophobicContact CB-CB 4.49Å; I409-I437 HydrophobicContact CB-CG1 4.29Å; I409-I437 HydrophobicContact CB-CG2 4.3Å; I409-I437 HydrophobicContact CD1-CD1 4.47Å; I409-I437 HydrophobicContact CD1-CG1 4.26Å; I409-I437 HydrophobicContact CG2-CG2 4.17Å; I409-Y438 PolarHBondContact O-N 2.94Å
410V93.1Very high87.7Confident0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-118.6153.7-179.9-60.70000112L370 V371 D372 L373 A412 Y438 Y443 L447 L460L370-V410 HydrophobicContact CD1-CG1 3.89Å; L370-V410 HydrophobicContact CD1-CG2 4.09Å; V371-V410 PolarHBondContact O-N 3.17Å; D372-V410 HydrophobicContact CB-CG2 4.04Å; L373-V410 PolarHBondContact N-O 3.38Å; V410-A412 PolarHBondContact O-N 3.44Å; V410-Y438 HydrophobicContact CG1-CD2 4.22Å; V410-Y443 HydrophobicContact CB-CG 4.3Å; V410-Y443 HydrophobicContact CG1-CG 4.35Å; V410-L447 HydrophobicContact CG1-CD2 4.15Å; V410-L460 HydrophobicContact CG2-CD1 4.28Å; V410-L460 HydrophobicContact CG2-CD2 3.83Å
411R87.4Confident87Confident45 Ų4529.1 Ų29.117%0.1715%0.146CC..SBendtrans53.636.9178.9-60.3-169.5-68.9-172.5-8.2113.7D372 D374 P413 Y438 Y443 F459D372-R411 IonicContact OD1-CZ 3.26Å; D372-R411 VanDerWaalsContact OD1-CZ 3.26Å; D372-R411 IonicContact OD1-NE 2.73Å; D372-R411 PolarHBondContact OD1-NE 3.33Å; D372-R411 IonicContact OD1-NH2 3.85Å; D372-R411 PolarHBondContact OD1-NH2 3.42Å; D372-R411 IonicContact OD2-CZ 2.67Å; D372-R411 IonicContact OD2-NH2 2.79Å; D372-R411 PolarHBondContact OD2-NH2 3.08Å; D374-R411 HydrophobicContact CB-CB 4.13Å; D374-R411 VanDerWaalsContact CB-NE 3.32Å; D374-R411 IonicContact OD2-CZ 3.73Å; D374-R411 VanDerWaalsContact OD2-CZ 3.26Å; D374-R411 IonicContact OD2-NE 3.31Å; D374-R411 IonicContact OD2-NH1 3.33Å; D374-R411 PolarHBondContact OD2-NH1 2.97Å; D374-R411 IonicContact OD2-NH2 3.8Å; R411-P413 WeakPolarHBondContact O-CD 3.49Å; R411-P413 VanDerWaalsContact O-N 3.15Å; R411-Y438 PolarHBondContact N-O 3.33Å; R411-Y438 VanDerWaalsContact N-O 3.14Å; R411-Y443 HydrophobicContact CG-CD1 4.06Å; R411-Y443 HydrophobicContact CG-CE1 3.48Å; R411-Y443 VanDerWaalsContact CG-CE1 3.48Å; R411-F459 PolarHBondContact NH1-O 2.87Å
412A83.7Confident86.4Confident20 Ų2032 Ų3217%0.16516%0.161CC..  trans-59.4114.1178.900000111.5L373 I409 V410 F416 I437L373-A412 HydrophobicContact CD1-CB 3.92Å; I409-A412 HydrophobicContact CG2-CB 4.29Å; V410-A412 PolarHBondContact O-N 3.44Å; A412-F416 HydrophobicContact CB-CB 4.13Å; A412-F416 HydrophobicContact CB-CD1 3.82Å; A412-F416 HydrophobicContact CB-CE1 4.49Å; A412-F416 HydrophobicContact CB-CG 4Å; A412-I437 HydrophobicContact CB-CG2 4.26Å
413P77.4Confident86.1Confident39 Ų3930.4 Ų30.425%0.25315%0.154SC..  trans-76.3169.8179.829.8-32.9000111.4M376 R411 V415 F416 P417M376-P413 HydrophobicContact CB-CG 3.81Å; M376-P413 HydrophobicContact CG-CG 4.37Å; M376-P413 WeakPolarHBondContact O-CG 3.27Å; M376-P413 HydrophobicContact SD-CG 4.42Å; R411-P413 WeakPolarHBondContact O-CD 3.49Å; R411-P413 VanDerWaalsContact O-N 3.15Å; P413-V415 HydrophobicContact CB-CG1 4.26Å; P413-V415 HydrophobicContact CG-CG1 3.8Å; P413-V415 PolarHBondContact O-N 3.49Å; P413-F416 VanDerWaalsContact O-CB 3.25Å; P413-F416 WeakPolarHBondContact O-CB 3.45Å; P413-F416 PolarHBondContact O-N 2.97Å; P413-P417 WeakPolarHBondContact O-CD 3.44Å
414R73.2Confident85.7Confident187 Ų18731.9 Ų31.971%0.70616%0.164SC*.THydrogen-bonded Turntrans-60.6-20-178.8-59.9-174.7177.7178.7-0.7114P417 Y636R414-P417 VanDerWaalsContact O-CD 3.27Å; R414-P417 WeakPolarHBondContact O-CD 3.34Å; R414-P417 VanDerWaalsContact O-CG 3.27Å; R414-P417 WeakPolarHBondContact O-CG 3.23Å; R414-Y636 HydrophobicContact CB-CE1 4.49Å; R414-Y636 WeakPolarHBondContact CB-OH 3.32Å; R414-Y636 PolarHBondContact O-OH 2.82Å
415V74.9Confident85.4Confident16 Ų1635.4 Ų35.410%0.09719%0.189CC..THydrogen-bonded Turntrans-79.3-24.117566.90000113.7M376 I378 L381 P413 P417 I418M376-V415 HydrophobicContact CE-CG1 4.33Å; M376-V415 HydrophobicContact CG-CG1 4.31Å; M376-V415 VanDerWaalsContact O-CG1 3.26Å; M376-V415 WeakPolarHBondContact O-CG1 3.28Å; I378-V415 HydrophobicContact CD1-CG2 4.07Å; L381-V415 HydrophobicContact CD1-CG2 3.72Å; P413-V415 HydrophobicContact CB-CG1 4.26Å; P413-V415 HydrophobicContact CG-CG1 3.8Å; P413-V415 PolarHBondContact O-N 3.49Å; V415-P417 VanDerWaalsContact C-N 3.3Å; V415-I418 HydrophobicContact CG2-CD1 4.32Å; V415-I418 WeakPolarHBondContact O-CB 3.14Å; V415-I418 PolarHBondContact O-N 3.15Å
416F81.7Confident85.1Confident14 Ų1439.4 Ų39.46%0.06120%0.203CC..Hα-helixtrans-49.9-42.8177.5169.2-106.3000114L373 M376 I409 A412 P413 I418 L419 W420 I437L373-F416 HydrophobicContact CD1-CB 4.08Å; L373-F416 HydrophobicContact CD1-CD2 3.21Å; L373-F416 HydrophobicContact CD1-CE2 3.7Å; L373-F416 HydrophobicContact CD1-CG 3.68Å; M376-F416 HydrophobicContact SD-CB 4.25Å; M376-F416 HydrophobicContact SD-CD2 4.38Å; I409-F416 HydrophobicContact CD1-CE2 4.06Å; I409-F416 HydrophobicContact CD1-CZ 3.86Å; I409-F416 HydrophobicContact CG2-CE2 4.49Å; I409-F416 HydrophobicContact CG2-CZ 4.45Å; A412-F416 HydrophobicContact CB-CB 4.13Å; A412-F416 HydrophobicContact CB-CD1 3.82Å; A412-F416 HydrophobicContact CB-CE1 4.49Å; A412-F416 HydrophobicContact CB-CG 4Å; P413-F416 VanDerWaalsContact O-CB 3.25Å; P413-F416 WeakPolarHBondContact O-CB 3.45Å; P413-F416 PolarHBondContact O-N 2.97Å; F416-I418 PolarHBondContact O-N 3.42Å; F416-L419 HydrophobicContact CD2-CD2 4.36Å; F416-L419 WeakPolarHBondContact O-CA 3.32Å; F416-L419 WeakPolarHBondContact O-CB 3.38Å; F416-L419 PolarHBondContact O-N 3.43Å; F416-W420 HydrophobicContact CE1-CB 4.25Å; F416-W420 HydrophobicContact CZ-CB 4.12Å; F416-W420 HydrophobicContact CZ-CD2 4.48Å; F416-W420 HydrophobicContact CZ-CE3 4.1Å; F416-W420 PolarHBondContact O-N 2.93Å; F416-I437 HydrophobicContact CE1-CD1 3.87Å; F416-I437 HydrophobicContact CE1-CG2 3.88Å; F416-I437 HydrophobicContact CZ-CD1 3.94Å; F416-I437 HydrophobicContact CZ-CG2 4.48Å
417P79.3Confident84.8Confident18 Ų1839.9 Ų39.912%0.11721%0.205CC..Hα-helixtrans-32-49.4165.3-44.440.2000117.5P413 R414 V415 W420 T421 V640 L643P413-P417 WeakPolarHBondContact O-CD 3.44Å; R414-P417 VanDerWaalsContact O-CD 3.27Å; R414-P417 WeakPolarHBondContact O-CD 3.34Å; R414-P417 VanDerWaalsContact O-CG 3.27Å; R414-P417 WeakPolarHBondContact O-CG 3.23Å; V415-P417 VanDerWaalsContact C-N 3.3Å; P417-W420 PolarHBondContact O-N 3.34Å; P417-T421 PolarHBondContact O-N 2.82Å; P417-T421 PolarHBondContact O-OG1 3.36Å; P417-V640 HydrophobicContact CB-CG2 4.28Å; P417-V640 HydrophobicContact CG-CG2 4.36Å; P417-L643 HydrophobicContact CB-CD1 3.11Å; P417-L643 HydrophobicContact CG-CD1 3.65Å
418I77.9Confident84.3Confident22 Ų2242.2 Ų42.211%0.11322%0.218CC..Hα-helixtrans-68.2-44.7-177.3-51.4-176000110.3L381 V415 F416 W420 T421 L422 Y636 L639L381-I418 HydrophobicContact CD1-CB 3.85Å; L381-I418 HydrophobicContact CD1-CD1 4.4Å; L381-I418 HydrophobicContact CD1-CG2 3.73Å; V415-I418 HydrophobicContact CG2-CD1 4.32Å; V415-I418 WeakPolarHBondContact O-CB 3.14Å; V415-I418 PolarHBondContact O-N 3.15Å; F416-I418 PolarHBondContact O-N 3.42Å; I418-W420 VanDerWaalsContact C-N 3.29Å; I418-W420 PolarHBondContact O-N 3.06Å; I418-T421 PolarHBondContact O-N 3.18Å; I418-L422 HydrophobicContact CG2-CD1 4.42Å; I418-L422 WeakPolarHBondContact O-CG 3.29Å; I418-L422 PolarHBondContact O-N 3.37Å; I418-L422 VanDerWaalsContact O-N 3.12Å; I418-Y636 HydrophobicContact CD1-CD2 3.94Å; I418-Y636 HydrophobicContact CD1-CE2 4.03Å; I418-L639 HydrophobicContact CD1-CD1 4.24Å; I418-L639 HydrophobicContact CG1-CD1 3.93Å; I418-L639 HydrophobicContact CG2-CD1 4.3Å
419L84.2Confident83.9Confident15 Ų1549.2 Ų49.28%0.07925%0.25CS..Hα-helixtrans-58.4-44.4175-179.663000111.2L321 M376 L381 I386 L389 F416 T421 L422 V423L321-L419 HydrophobicContact CD2-CD2 4.22Å; M376-L419 HydrophobicContact CE-CB 3.56Å; M376-L419 HydrophobicContact CE-CD2 3.52Å; M376-L419 HydrophobicContact CE-CG 4.13Å; M376-L419 HydrophobicContact SD-CD2 4.12Å; L381-L419 HydrophobicContact CD2-CB 3.77Å; L381-L419 HydrophobicContact CD2-CD1 3.94Å; L381-L419 HydrophobicContact CD2-CG 4.42Å; I386-L419 HydrophobicContact CD1-CD1 3.58Å; L389-L419 HydrophobicContact CD2-CD1 3.98Å; F416-L419 HydrophobicContact CD2-CD2 4.36Å; F416-L419 WeakPolarHBondContact O-CA 3.32Å; F416-L419 WeakPolarHBondContact O-CB 3.38Å; F416-L419 PolarHBondContact O-N 3.43Å; L419-T421 VanDerWaalsContact C-N 3.34Å; L419-T421 PolarHBondContact O-N 3.34Å; L419-L422 PolarHBondContact O-N 2.76Å; L419-L422 VanDerWaalsContact O-N 3.16Å; L419-V423 HydrophobicContact CD1-CG2 3.81Å; L419-V423 HydrophobicContact CG-CG2 4.26Å; L419-V423 WeakPolarHBondContact O-CB 3.42Å; L419-V423 WeakPolarHBondContact O-CG2 3.27Å; L419-V423 PolarHBondContact O-N 2.73Å
420W86.1Confident83.5Confident28 Ų2853.6 Ų53.611%0.10627%0.269CS..Hα-helixtrans-61.1-42.7179.5-176.6-106.8000111.9F416 P417 I418 L422 V423 S424 I427 F435 F650F416-W420 HydrophobicContact CE1-CB 4.25Å; F416-W420 HydrophobicContact CZ-CB 4.12Å; F416-W420 HydrophobicContact CZ-CD2 4.48Å; F416-W420 HydrophobicContact CZ-CE3 4.1Å; F416-W420 PolarHBondContact O-N 2.93Å; P417-W420 PolarHBondContact O-N 3.34Å; I418-W420 VanDerWaalsContact C-N 3.29Å; I418-W420 PolarHBondContact O-N 3.06Å; W420-L422 VanDerWaalsContact C-N 3.28Å; W420-L422 PolarHBondContact O-N 3.2Å; W420-V423 PolarHBondContact O-N 3.26Å; W420-S424 WeakPolarHBondContact O-CB 3.43Å; W420-S424 PolarHBondContact O-N 3.36Å; W420-S424 PolarHBondContact O-OG 3.44Å; W420-I427 HydrophobicContact CZ3-CD1 4.29Å; W420-F435 AromaticContact CH2-CD1 3.92Å; W420-F435 HydrophobicContact CH2-CD1 3.92Å; W420-F435 HydrophobicContact CH2-CE1 4.21Å; W420-F435 HydrophobicContact CH2-CG 4.1Å; W420-F435 AromaticContact CZ3-CD1 3.6Å; W420-F435 HydrophobicContact CZ3-CD1 3.6Å; W420-F435 AromaticContact CZ3-CE1 3.66Å; W420-F435 HydrophobicContact CZ3-CE1 3.66Å; W420-F435 HydrophobicContact CZ3-CG 4.26Å; W420-F435 HydrophobicContact CZ3-CZ 4.39Å; W420-F650 AromaticContact NE1-CZ 3.96Å
421T80.7Confident83.2Confident59 Ų5954.7 Ų54.736%0.36228%0.276SS..Hα-helixtrans-62.7-34.6175.7-59.10000112.5P417 I418 L419 P425 L639P417-T421 PolarHBondContact O-N 2.82Å; P417-T421 PolarHBondContact O-OG1 3.36Å; I418-T421 PolarHBondContact O-N 3.18Å; L419-T421 VanDerWaalsContact C-N 3.34Å; L419-T421 PolarHBondContact O-N 3.34Å; T421-P425 WeakPolarHBondContact O-CD 3.25Å; T421-L639 HydrophobicContact CG2-CD2 3.98Å
422L81.9Confident83.2Confident69 Ų6953.7 Ų53.736%0.36128%0.277SS..Hα-helixtrans-72.5-38.6176.9-66.7169.6000112.6L381 I386 I418 L419 W420L381-L422 HydrophobicContact CD2-CD1 4.47Å; I386-L422 HydrophobicContact CD1-CD1 4.2Å; I386-L422 HydrophobicContact CG1-CD1 4.24Å; I386-L422 HydrophobicContact CG2-CD1 4.3Å; I418-L422 HydrophobicContact CG2-CD1 4.42Å; I418-L422 WeakPolarHBondContact O-CG 3.29Å; I418-L422 PolarHBondContact O-N 3.37Å; I418-L422 VanDerWaalsContact O-N 3.12Å; L419-L422 PolarHBondContact O-N 2.76Å; L419-L422 VanDerWaalsContact O-N 3.16Å; W420-L422 VanDerWaalsContact C-N 3.28Å; W420-L422 PolarHBondContact O-N 3.2Å
423V87.2Confident83.5Confident13 Ų1356 Ų568%0.07929%0.287CS..Hα-helixtrans-92.4-37.6-170.4170.50000113.1L389 L390 I393 L419 W420 F426 I427L389-V423 HydrophobicContact CD2-CG2 3.91Å; L390-V423 HydrophobicContact CD2-CG2 4.4Å; I393-V423 HydrophobicContact CD1-CG1 3.45Å; I393-V423 VanDerWaalsContact CD1-CG1 3.45Å; I393-V423 HydrophobicContact CD1-CG2 4.41Å; L419-V423 HydrophobicContact CD1-CG2 3.81Å; L419-V423 HydrophobicContact CG-CG2 4.26Å; L419-V423 WeakPolarHBondContact O-CB 3.42Å; L419-V423 WeakPolarHBondContact O-CG2 3.27Å; L419-V423 PolarHBondContact O-N 2.73Å; W420-V423 PolarHBondContact O-N 3.26Å; V423-F426 WeakPolarHBondContact O-CB 3.38Å; V423-F426 PolarHBondContact O-N 2.84Å; V423-I427 HydrophobicContact CG1-CD1 3.67Å; V423-I427 HydrophobicContact CG1-CG1 4.29Å
424S86.5Confident84.1Confident36 Ų3656.2 Ų56.225%0.25228%0.284SS..G310 helixtrans-57-33.2-173.557.90000115.7W420 F426 I427W420-S424 WeakPolarHBondContact O-CB 3.43Å; W420-S424 PolarHBondContact O-N 3.36Å; W420-S424 PolarHBondContact O-OG 3.44Å; S424-F426 PolarHBondContact O-N 2.59Å; S424-F426 VanDerWaalsContact O-N 3.12Å; S424-I427 PolarHBondContact O-N 2.84Å
425P87.8Confident85Confident101 Ų10148.1 Ų48.166%0.65625%0.254SS*.G310 helixtrans-61.9-21.4176.5-24.336.3000114T421T421-P425 WeakPolarHBondContact O-CD 3.25Å
426F87.8Confident85.6Confident96 Ų9648.3 Ų48.342%0.42125%0.254SS..G310 helixtrans-90.3-4.2178.3-64.4-98.1000112.3L390 I393 Q397 V423 S424L390-F426 HydrophobicContact CD1-CE2 3.9Å; L390-F426 HydrophobicContact CD1-CZ 4.03Å; L390-F426 HydrophobicContact CD2-CD2 3.51Å; L390-F426 HydrophobicContact CD2-CE2 3.69Å; L390-F426 HydrophobicContact CD2-CG 3.97Å; L390-F426 HydrophobicContact CD2-CZ 4.27Å; L390-F426 HydrophobicContact CG-CE2 4.36Å; I393-F426 HydrophobicContact CG2-CB 4.21Å; Q397-F426 PolarHBondContact NE2-O 3.26Å; Q397-F426 PolarHBondContact OE1-O 3.39Å; V423-F426 WeakPolarHBondContact O-CB 3.38Å; V423-F426 PolarHBondContact O-N 2.84Å; S424-F426 PolarHBondContact O-N 2.59Å; S424-F426 VanDerWaalsContact O-N 3.12Å
427I87.5Confident85.7Confident21 Ų2149.2 Ų49.211%0.10826%0.259CS..SBendtrans-107.5118.3-177.2-59175.2000109W420 V423 S424 T431 A432 F435W420-I427 HydrophobicContact CZ3-CD1 4.29Å; V423-I427 HydrophobicContact CG1-CD1 3.67Å; V423-I427 HydrophobicContact CG1-CG1 4.29Å; S424-I427 PolarHBondContact O-N 2.84Å; I427-T431 HydrophobicContact CG2-CG2 3.78Å; I427-A432 HydrophobicContact CG2-CB 4.03Å; I427-F435 HydrophobicContact CD1-CE1 4.26Å; I427-F435 HydrophobicContact CD1-CE2 4.21Å; I427-F435 HydrophobicContact CD1-CZ 3.65Å; I427-F435 HydrophobicContact CG2-CE2 4.12Å
428N85.2Confident85.8Confident78 Ų7849.3 Ų49.342%0.41726%0.257SS..  trans-65.5156.6175.969.847.9000112.2K430 T431 A432N428-K430 VanDerWaalsContact C-N 3.33Å; N428-K430 PolarHBondContact O-N 3.14Å; N428-K430 PolarHBondContact OD1-N 3.04Å; N428-T431 PolarHBondContact ND2-OG1 2.82Å; N428-T431 WeakPolarHBondContact O-CB 3.45Å; N428-T431 PolarHBondContact O-N 3.35Å; N428-T431 VanDerWaalsContact OD1-CB 3.23Å; N428-T431 WeakPolarHBondContact OD1-CB 3.4Å; N428-T431 PolarHBondContact OD1-N 2.88Å; N428-T431 PolarHBondContact OD1-OG1 2.99Å; N428-A432 PolarHBondContact O-N 3.12Å
429E84.8Confident85.3Confident150 Ų15050.5 Ų50.570%0.70127%0.274SS*.Hα-helixtrans-56.5-42.1-174.7-171.6-177.4175.100113.3T431 A432 N433E429-T431 VanDerWaalsContact C-N 3.25Å; E429-T431 PolarHBondContact O-N 2.9Å; E429-A432 PolarHBondContact O-N 3.04Å; E429-N433 PolarHBondContact O-N 3.19Å; E429-N433 PolarHBondContact O-ND2 3.48Å
430K84.7Confident84.4Confident99 Ų9952.1 Ų52.143%0.4330%0.295SS..Hα-helixtrans-59.5-38.7177.4-70.6-175.6-179.4177.90112.3D263 N428D263-K430 IonicContact OD1-NZ 3.34Å; D263-K430 PolarHBondContact OD1-NZ 3.22Å; N428-K430 VanDerWaalsContact C-N 3.33Å; N428-K430 PolarHBondContact O-N 3.14Å; N428-K430 PolarHBondContact OD1-N 3.04Å
431T86.6Confident83.6Confident23 Ų2355.1 Ų55.114%0.14132%0.32CS..Hα-helixtrans-76.5-41179.8-55.90000110.3M404 I427 N428 E429 N433 K434 F435M404-T431 HydrophobicContact CE-CG2 3.39Å; I427-T431 HydrophobicContact CG2-CG2 3.78Å; N428-T431 PolarHBondContact ND2-OG1 2.82Å; N428-T431 WeakPolarHBondContact O-CB 3.45Å; N428-T431 PolarHBondContact O-N 3.35Å; N428-T431 VanDerWaalsContact OD1-CB 3.23Å; N428-T431 WeakPolarHBondContact OD1-CB 3.4Å; N428-T431 PolarHBondContact OD1-N 2.88Å; N428-T431 PolarHBondContact OD1-OG1 2.99Å; E429-T431 VanDerWaalsContact C-N 3.25Å; E429-T431 PolarHBondContact O-N 2.9Å; T431-N433 VanDerWaalsContact C-N 3.28Å; T431-N433 PolarHBondContact O-N 3.35Å; T431-K434 VanDerWaalsContact O-CB 3.31Å; T431-K434 WeakPolarHBondContact O-CB 3.41Å; T431-K434 PolarHBondContact O-N 3.22Å; T431-F435 HydrophobicContact CG2-CE2 4.31Å; T431-F435 VanDerWaalsContact O-CD2 3.24Å; T431-F435 WeakPolarHBondContact O-CD2 3.45Å; T431-F435 WeakPolarHBondContact O-CE2 3.37Å
432A87.5Confident83.1Confident24 Ų2458.1 Ų58.120%0.19833%0.334CS..Hα-helixtrans-60.5-3617600000112.4I427 N428 E429 K434 F435I427-A432 HydrophobicContact CG2-CB 4.03Å; N428-A432 PolarHBondContact O-N 3.12Å; E429-A432 PolarHBondContact O-N 3.04Å; A432-K434 PolarHBondContact O-N 3.11Å; A432-K434 VanDerWaalsContact O-N 3.09Å; A432-F435 WeakPolarHBondContact O-CB 3.13Å; A432-F435 PolarHBondContact O-N 3.14Å
433N89.5Confident83Confident69 Ų6956.5 Ų56.537%0.36932%0.323SS..THydrogen-bonded Turntrans-64.4-12.3175.5-71.1-27000114E429 T431E429-N433 PolarHBondContact O-N 3.19Å; E429-N433 PolarHBondContact O-ND2 3.48Å; T431-N433 VanDerWaalsContact C-N 3.28Å; T431-N433 PolarHBondContact O-N 3.35Å
434K91.9Very high82.5Confident42 Ų4257.6 Ų57.618%0.18333%0.333CS..THydrogen-bonded Turntrans-90.10.3175.2-55.1174.4-179.1177.30112.6E402 M404 M407 T431 A432E402-K434 IonicContact OE2-NZ 3.95Å; E402-K434 PolarHBondContact OE2-NZ 3.42Å; M404-K434 HydrophobicContact CE-CB 4.12Å; M404-K434 HydrophobicContact CE-CD 4.38Å; M404-K434 WeakPolarHBondContact O-CD 3.44Å; M404-K434 WeakPolarHBondContact O-CE 3.49Å; M404-K434 PolarHBondContact O-NZ 3.04Å; M407-K434 PolarHBondContact N-O 3.16Å; T431-K434 VanDerWaalsContact O-CB 3.31Å; T431-K434 WeakPolarHBondContact O-CB 3.41Å; T431-K434 PolarHBondContact O-N 3.22Å; A432-K434 PolarHBondContact O-N 3.11Å; A432-K434 VanDerWaalsContact O-N 3.09Å
435F91Very high82.1Confident17 Ų1762 Ų628%0.07535%0.354CS..EExtended strand (participates in β ladder)trans-91.4125.7178.5-73.8-116.9000110.2M404 M407 I409 W420 I427 T431 A432M404-F435 HydrophobicContact CE-CD2 4.16Å; M404-F435 HydrophobicContact CE-CE2 3.52Å; M404-F435 HydrophobicContact CE-CZ 4.18Å; M407-F435 HydrophobicContact CB-CD1 4.15Å; M407-F435 HydrophobicContact CB-CD2 4.41Å; M407-F435 HydrophobicContact CB-CE1 4.29Å; M407-F435 HydrophobicContact CB-CG 4.21Å; M407-F435 HydrophobicContact CB-CZ 4.46Å; M407-F435 HydrophobicContact CE-CE1 4.09Å; M407-F435 HydrophobicContact CE-CZ 3.93Å; M407-F435 HydrophobicContact CG-CD1 4.11Å; M407-F435 HydrophobicContact CG-CE1 4.07Å; M407-F435 CarbonylContact O-C 3.36Å; M407-F435 WeakPolarHBondContact O-CA 3.44Å; M407-F435 HydrophobicContact SD-CD1 3.75Å; M407-F435 HydrophobicContact SD-CE1 3.14Å; M407-F435 WeakPolarHBondContact SD-CE1 3.24Å; M407-F435 HydrophobicContact SD-CZ 3.61Å; I409-F435 HydrophobicContact CD1-CD1 3.88Å; I409-F435 HydrophobicContact CD1-CE1 4.31Å; W420-F435 AromaticContact CH2-CD1 3.92Å; W420-F435 HydrophobicContact CH2-CD1 3.92Å; W420-F435 HydrophobicContact CH2-CE1 4.21Å; W420-F435 HydrophobicContact CH2-CG 4.1Å; W420-F435 AromaticContact CZ3-CD1 3.6Å; W420-F435 HydrophobicContact CZ3-CD1 3.6Å; W420-F435 AromaticContact CZ3-CE1 3.66Å; W420-F435 HydrophobicContact CZ3-CE1 3.66Å; W420-F435 HydrophobicContact CZ3-CG 4.26Å; W420-F435 HydrophobicContact CZ3-CZ 4.39Å; I427-F435 HydrophobicContact CD1-CE1 4.26Å; I427-F435 HydrophobicContact CD1-CE2 4.21Å; I427-F435 HydrophobicContact CD1-CZ 3.65Å; I427-F435 HydrophobicContact CG2-CE2 4.12Å; T431-F435 HydrophobicContact CG2-CE2 4.31Å; T431-F435 VanDerWaalsContact O-CD2 3.24Å; T431-F435 WeakPolarHBondContact O-CD2 3.45Å; T431-F435 WeakPolarHBondContact O-CE2 3.37Å; A432-F435 WeakPolarHBondContact O-CB 3.13Å; A432-F435 PolarHBondContact O-N 3.14Å
436M88.3Confident81.9Confident21 Ų2158.5 Ų58.510%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-118.8113.6173.3-61.183.276.400108.3M407 L408 I409 Y438 Y450M407-M436 PolarHBondContact O-N 3.19Å; L408-M436 HydrophobicContact CD2-CB 4.14Å; L408-M436 HydrophobicContact CD2-CE 3.18Å; L408-M436 HydrophobicContact CG-CE 4.05Å; I409-M436 PolarHBondContact N-O 2.99Å; M436-Y438 HydrophobicContact CB-CE2 3.76Å; M436-Y450 HydrophobicContact CE-CD1 3.91Å; M436-Y450 HydrophobicContact CE-CE1 3.33Å; M436-Y450 HydrophobicContact CE-CE2 4.39Å
437I84Confident82.1Confident32 Ų3254 Ų5416%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-112121.5-169.9-50.2-178.5000109.8I409 A412 F416 F650I409-I437 HydrophobicContact CB-CB 4.49Å; I409-I437 HydrophobicContact CB-CG1 4.29Å; I409-I437 HydrophobicContact CB-CG2 4.3Å; I409-I437 HydrophobicContact CD1-CD1 4.47Å; I409-I437 HydrophobicContact CD1-CG1 4.26Å; I409-I437 HydrophobicContact CG2-CG2 4.17Å; A412-I437 HydrophobicContact CB-CG2 4.26Å; F416-I437 HydrophobicContact CE1-CD1 3.87Å; F416-I437 HydrophobicContact CE1-CG2 3.88Å; F416-I437 HydrophobicContact CZ-CD1 3.94Å; F416-I437 HydrophobicContact CZ-CG2 4.48Å; I437-F650 HydrophobicContact CD1-CD1 4.25Å; I437-F650 HydrophobicContact CD1-CE1 3.6Å; I437-F650 HydrophobicContact CD1-CE2 4.34Å; I437-F650 HydrophobicContact CD1-CZ 3.67Å; I437-F650 HydrophobicContact CG1-CE1 4.42Å
438Y80.2Confident82.2Confident21 Ų2155.2 Ų55.28%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-116.699.1-178.4-55.9-77000110.2L408 I409 V410 R411 M436 C446 Y450L408-Y438 HydrophobicContact CD2-CE2 4.32Å; I409-Y438 PolarHBondContact O-N 2.94Å; V410-Y438 HydrophobicContact CG1-CD2 4.22Å; R411-Y438 PolarHBondContact N-O 3.33Å; R411-Y438 VanDerWaalsContact N-O 3.14Å; M436-Y438 HydrophobicContact CB-CE2 3.76Å; Y438-C446 HydrophobicContact CD1-CB 3.91Å; Y438-C446 HydrophobicContact CE1-CB 3.39Å; Y438-C446 WeakPolarHBondContact CE1-SG 3.24Å; Y438-C446 HydrophobicContact CE2-CB 4.3Å; Y438-Y450 WeakPolarHBondContact OH-CE2 3.34Å
439G67Low82.5Confident46 Ų4656.8 Ų56.847%0.47433%0.327SS..  trans-97.199.2172.400000110.7
440G66.6Low82.8Confident49 Ų4951.7 Ų51.751%0.50530%0.302SS..SBendtrans149-163.6-178.500000112.1Y443G440-Y443 WeakPolarHBondContact O-CD1 3.42Å; G440-Y443 WeakPolarHBondContact O-CE1 3.47Å
441S68.6Low83.2Confident91 Ų9147 Ų4764%0.63628%0.282SS*.SBendtrans-92.3-13.6175.848.50000114.1Y443S441-Y443 PolarHBondContact O-N 3.27Å; S441-Y443 VanDerWaalsContact O-N 3.11Å
442D70.2Confident83.5Confident122 Ų12250 Ų5065%0.65229%0.294SS*.THydrogen-bonded Turntrans-8010.7-171.1-67.2-14.7000114.2A444D442-A444 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 2.91Å
443Y80.3Confident83.8Confident35 Ų3555.5 Ų55.514%0.13732%0.315CS..Hα-helixtrans-66.8-29.917952.5-96.5000112.7V410 R411 G440 S441 N445 C446 L447 L460V410-Y443 HydrophobicContact CB-CG 4.3Å; V410-Y443 HydrophobicContact CG1-CG 4.35Å; R411-Y443 HydrophobicContact CG-CD1 4.06Å; R411-Y443 HydrophobicContact CG-CE1 3.48Å; R411-Y443 VanDerWaalsContact CG-CE1 3.48Å; G440-Y443 WeakPolarHBondContact O-CD1 3.42Å; G440-Y443 WeakPolarHBondContact O-CE1 3.47Å; S441-Y443 PolarHBondContact O-N 3.27Å; S441-Y443 VanDerWaalsContact O-N 3.11Å; Y443-N445 PolarHBondContact O-N 3Å; Y443-C446 CarbonylContact O-C 3.42Å; Y443-C446 PolarHBondContact O-N 3.41Å; Y443-C446 VanDerWaalsContact O-N 3.07Å; Y443-L447 HydrophobicContact CD2-CD1 4.15Å; Y443-L447 VanDerWaalsContact O-CG 3.31Å; Y443-L447 WeakPolarHBondContact O-CG 3.38Å; Y443-L447 PolarHBondContact O-N 3.48Å; Y443-L460 HydrophobicContact CE2-CB 4.13Å; Y443-L460 HydrophobicContact CE2-CD2 4.13Å; Y443-L460 WeakPolarHBondContact CE2-O 3.34Å
444A75.8Confident84Confident36 Ų3657.4 Ų57.430%0.29832%0.32SS..Hα-helixtrans-59.1-46-175.400000112.4D442 C446 L447 C448D442-A444 VanDerWaalsContact C-N 3.31Å; D442-A444 PolarHBondContact O-N 2.91Å; A444-C446 VanDerWaalsContact C-N 3.32Å; A444-C446 PolarHBondContact O-N 2.89Å; A444-L447 PolarHBondContact O-N 3.45Å; A444-C448 PolarHBondContact O-N 2.94Å; A444-C448 PolarHBondContact O-SG 3.49Å
445N79Confident84.1Confident129 Ų12959 Ų5969%0.6933%0.325SS*.Hα-helixtrans-66.4-34.9176-70.8-27.2000112.1Y443Y443-N445 PolarHBondContact O-N 3Å
446C83.8Confident84.3Confident28 Ų2858.5 Ų58.519%0.18932%0.323CS..Hα-helixtrans-71.2-37.7177.1-64.30000112.2Y438 Y443 A444 C448 Q449 Y450Y438-C446 HydrophobicContact CD1-CB 3.91Å; Y438-C446 HydrophobicContact CE1-CB 3.39Å; Y438-C446 WeakPolarHBondContact CE1-SG 3.24Å; Y438-C446 HydrophobicContact CE2-CB 4.3Å; Y443-C446 CarbonylContact O-C 3.42Å; Y443-C446 PolarHBondContact O-N 3.41Å; Y443-C446 VanDerWaalsContact O-N 3.07Å; A444-C446 VanDerWaalsContact C-N 3.32Å; A444-C446 PolarHBondContact O-N 2.89Å; C446-C448 PolarHBondContact O-N 3.36Å; C446-Q449 VanDerWaalsContact O-CB 3.23Å; C446-Q449 WeakPolarHBondContact O-CB 3.25Å; C446-Q449 WeakPolarHBondContact O-CG 3.22Å; C446-Q449 PolarHBondContact O-N 2.92Å; C446-Y450 VanDerWaalsContact O-CD2 3.27Å; C446-Y450 WeakPolarHBondContact O-CD2 3.44Å
447L91.1Very high84.6Confident0 Ų057.5 Ų57.50%032%0.318CS..Hα-helixtrans-60.6-35.2176.9-71.9174.7000111.5L370 L408 V410 Y443 A444 Q449 Y450 M451 I456 L460L370-L447 HydrophobicContact CD1-CD2 3.76Å; L370-L447 HydrophobicContact CD2-CD2 4.42Å; L408-L447 HydrophobicContact CD1-CD2 4.25Å; V410-L447 HydrophobicContact CG1-CD2 4.15Å; Y443-L447 HydrophobicContact CD2-CD1 4.15Å; Y443-L447 VanDerWaalsContact O-CG 3.31Å; Y443-L447 WeakPolarHBondContact O-CG 3.38Å; Y443-L447 PolarHBondContact O-N 3.48Å; A444-L447 PolarHBondContact O-N 3.45Å; L447-Q449 PolarHBondContact O-N 3.01Å; L447-Q449 VanDerWaalsContact O-N 3.09Å; L447-Y450 PolarHBondContact O-N 3.43Å; L447-M451 WeakPolarHBondContact O-CG 3.31Å; L447-M451 PolarHBondContact O-N 2.96Å; L447-I456 HydrophobicContact CB-CD1 4.14Å; L447-I456 HydrophobicContact CD1-CG2 4.29Å; L447-L460 HydrophobicContact CD1-CB 4.48Å; L447-L460 HydrophobicContact CD1-CD1 3.95Å
448C90.3Very high85Confident47 Ų4759.5 Ų59.532%0.31833%0.329SS..THydrogen-bonded Turntrans-59.8-17.4173.5-66.50000114.1A444 C446 Y450 M451A444-C448 PolarHBondContact O-N 2.94Å; A444-C448 PolarHBondContact O-SG 3.49Å; C446-C448 PolarHBondContact O-N 3.36Å; C448-Y450 VanDerWaalsContact C-N 3.3Å; C448-M451 WeakPolarHBondContact CA-O 3.16Å
449Q90.8Very high85.5Confident112 Ų11260.3 Ų60.352%0.52333%0.334SS..THydrogen-bonded Turntrans-78.5-16.3173.5-57.1176.6-7.600112.8C446 L447C446-Q449 VanDerWaalsContact O-CB 3.23Å; C446-Q449 WeakPolarHBondContact O-CB 3.25Å; C446-Q449 WeakPolarHBondContact O-CG 3.22Å; C446-Q449 PolarHBondContact O-N 2.92Å; L447-Q449 PolarHBondContact O-N 3.01Å; L447-Q449 VanDerWaalsContact O-N 3.09Å
450Y92.2Very high86.7Confident42 Ų4258.2 Ų58.217%0.16531%0.311CS..THydrogen-bonded Turntrans-119.2-26.2-175.6-58.7-81.8000112.8D310 L311 L408 M436 Y438 C446 L447 C448D310-Y450 CarbonylContact C-O 3.59Å; D310-Y450 VanDerWaalsContact CA-O 3.31Å; D310-Y450 WeakPolarHBondContact CA-O 3.29Å; D310-Y450 WeakPolarHBondContact CB-O 2.91Å; L311-Y450 PolarHBondContact N-O 2.94Å; L408-Y450 HydrophobicContact CD1-CD2 4.46Å; L408-Y450 HydrophobicContact CD1-CG 4.16Å; L408-Y450 HydrophobicContact CD2-CD1 4.09Å; L408-Y450 HydrophobicContact CD2-CD2 3.6Å; L408-Y450 HydrophobicContact CD2-CE1 4.28Å; L408-Y450 HydrophobicContact CD2-CE2 3.83Å; L408-Y450 HydrophobicContact CD2-CG 3.75Å; M436-Y450 HydrophobicContact CE-CD1 3.91Å; M436-Y450 HydrophobicContact CE-CE1 3.33Å; M436-Y450 HydrophobicContact CE-CE2 4.39Å; Y438-Y450 WeakPolarHBondContact OH-CE2 3.34Å; C446-Y450 VanDerWaalsContact O-CD2 3.27Å; C446-Y450 WeakPolarHBondContact O-CD2 3.44Å; L447-Y450 PolarHBondContact O-N 3.43Å; C448-Y450 VanDerWaalsContact C-N 3.3Å
451M93.1Very high87.7Confident2 Ų259.4 Ų59.41%0.0132%0.324CS..SBendtrans-139.8153.6179.667.4-170.4-54.300112L316 L370 L447 C448 Q453 W455 I456L316-M451 HydrophobicContact CD2-CE 3.32Å; L316-M451 HydrophobicContact CD2-SD 4.02Å; L370-M451 HydrophobicContact CD2-SD 4.42Å; L447-M451 WeakPolarHBondContact O-CG 3.31Å; L447-M451 PolarHBondContact O-N 2.96Å; C448-M451 WeakPolarHBondContact CA-O 3.16Å; M451-Q453 PolarHBondContact O-N 2.88Å; M451-W455 HydrophobicContact CE-CB 3.97Å; M451-W455 VanDerWaalsContact CE-O 3.28Å; M451-W455 WeakPolarHBondContact CE-O 3.49Å; M451-I456 HydrophobicContact CG-CG1 3.97Å; M451-I456 HydrophobicContact SD-CG1 4.07Å
452E93Very high88.8Confident85 Ų8556 Ų5640%0.39730%0.302SS..  trans-62.2136.8174.8-61.6-174.8-112.900110.7L311 K454 W455L311-E452 HydrophobicContact CD2-CG 3.8Å; E452-K454 HydrophobicContact CB-CG 4.24Å; E452-K454 VanDerWaalsContact CD-NZ 3.33Å; E452-K454 PolarHBondContact O-N 3.25Å; E452-K454 VanDerWaalsContact O-N 3.1Å; E452-K454 IonicContact OE1-NZ 3.93Å; E452-K454 PolarHBondContact OE1-NZ 3.41Å; E452-K454 WeakPolarHBondContact OE2-CE 3.2Å; E452-K454 IonicContact OE2-NZ 2.66Å; E452-K454 PolarHBondContact OE2-NZ 3.1Å; E452-W455 PolarHBondContact O-N 3.12Å
453Q92.3Very high89.8Confident139 Ų13954.3 Ų54.365%0.6530%0.298SS*.G310 helixtrans-54.7-35.6-176.8-171.81749.900113.4M451 W455 I456 P463M451-Q453 PolarHBondContact O-N 2.88Å; Q453-W455 PolarHBondContact O-N 3.24Å; Q453-I456 HydrophobicContact CG-CD1 4.31Å; Q453-I456 PolarHBondContact O-N 3.45Å; Q453-P463 WeakPolarHBondContact O-CD 3.08Å; Q453-P463 WeakPolarHBondContact O-CG 3.31Å
454K94.2Very high90.5Very high110 Ų11053.4 Ų53.448%0.47830%0.297SS..G310 helixtrans-62.9-22178.474.9-171-173.3-147.20113.8E452 C464E452-K454 HydrophobicContact CB-CG 4.24Å; E452-K454 VanDerWaalsContact CD-NZ 3.33Å; E452-K454 PolarHBondContact O-N 3.25Å; E452-K454 VanDerWaalsContact O-N 3.1Å; E452-K454 IonicContact OE1-NZ 3.93Å; E452-K454 PolarHBondContact OE1-NZ 3.41Å; E452-K454 WeakPolarHBondContact OE2-CE 3.2Å; E452-K454 IonicContact OE2-NZ 2.66Å; E452-K454 PolarHBondContact OE2-NZ 3.1Å; K454-C464 WeakPolarHBondContact O-CB 3.13Å
455W94.5Very high91.3Very high76 Ų7656.8 Ų56.829%0.28832%0.316SS..G310 helixtrans-98-2.2-179.3-62.8132000113.2H307 N308 M451 E452 Q453 P457H307-W455 PolarHBondContact NE2-O 3.08Å; N308-W455 HydrophobicContact CB-CB 4.48Å; N308-W455 HydrophobicContact CB-CD2 4.01Å; N308-W455 HydrophobicContact CB-CE3 4.46Å; N308-W455 HydrophobicContact CB-CG 3.99Å; N308-W455 WeakPolarHBondContact ND2-CZ2 3.3Å; M451-W455 HydrophobicContact CE-CB 3.97Å; M451-W455 VanDerWaalsContact CE-O 3.28Å; M451-W455 WeakPolarHBondContact CE-O 3.49Å; E452-W455 PolarHBondContact O-N 3.12Å; Q453-W455 PolarHBondContact O-N 3.24Å; W455-P457 WeakPolarHBondContact O-CD 3.37Å
456I94.4Very high91.9Very high5 Ų551.8 Ų51.83%0.02629%0.29CS..SBendtrans-66.7126.9176.4-60.8177.6000108.6L447 M451 Q453 L460 G462 C464L447-I456 HydrophobicContact CB-CD1 4.14Å; L447-I456 HydrophobicContact CD1-CG2 4.29Å; M451-I456 HydrophobicContact CG-CG1 3.97Å; M451-I456 HydrophobicContact SD-CG1 4.07Å; Q453-I456 HydrophobicContact CG-CD1 4.31Å; Q453-I456 PolarHBondContact O-N 3.45Å; I456-L460 HydrophobicContact CG2-CB 4.26Å; I456-G462 CarbonylContact O-C 3.2Å; I456-G462 VanDerWaalsContact O-CA 3.29Å; I456-G462 WeakPolarHBondContact O-CA 3.34Å; I456-C464 WeakPolarHBondContact O-CB 3.49Å; I456-C464 PolarHBondContact O-N 3.11Å
457P94.7Very high92Very high0 Ų058.3 Ų58.30%032%0.323CS..BIsolated β-bridgetrans-63.3147.4179.5-21.631.3000114.1I318 W455 F459 L460 G461 G462 C464 V466I318-P457 HydrophobicContact CD1-CG 3.61Å; W455-P457 WeakPolarHBondContact O-CD 3.37Å; P457-F459 HydrophobicContact CB-CD1 3.6Å; P457-F459 HydrophobicContact CB-CE1 3.15Å; P457-F459 HydrophobicContact CB-CE2 4.4Å; P457-F459 HydrophobicContact CB-CG 4.36Å; P457-F459 HydrophobicContact CB-CZ 3.63Å; P457-F459 HydrophobicContact CG-CE1 3.82Å; P457-F459 HydrophobicContact CG-CZ 3.88Å; P457-F459 PolarHBondContact O-N 2.99Å; P457-L460 HydrophobicContact CG-CD1 4.38Å; P457-L460 CarbonylContact O-C 3.56Å; P457-L460 WeakPolarHBondContact O-CA 3.46Å; P457-L460 PolarHBondContact O-N 3.09Å; P457-G461 PolarHBondContact O-N 3.37Å; P457-G462 WeakPolarHBondContact O-CA 3.4Å; P457-G462 PolarHBondContact O-N 3.04Å; P457-C464 CarbonylContact C-O 3.52Å; P457-C464 WeakPolarHBondContact CA-O 3.45Å; P457-V466 HydrophobicContact CB-CB 4.46Å; P457-V466 HydrophobicContact CB-CG2 3.94Å; P457-V466 HydrophobicContact CG-CG2 4.36Å
458D93.2Very high91.6Very high75 Ų7559.4 Ų59.440%0.40133%0.328SS..G310 helixtrans-56.6-40.8176.558.4-7.8000114.4L460 G461 G462 C464 V466D458-L460 PolarHBondContact O-N 3.36Å; D458-L460 VanDerWaalsContact O-N 3.12Å; D458-G461 WeakPolarHBondContact O-CA 3.47Å; D458-G461 PolarHBondContact O-N 3.06Å; D458-G462 VanDerWaalsContact CA-O 3.3Å; D458-G462 WeakPolarHBondContact CA-O 3.43Å; D458-C464 PolarHBondContact N-O 3.18Å; D458-V466 PolarHBondContact OD1-N 3.19Å
459F90.6Very high91.4Very high38 Ų3859.5 Ų59.517%0.16733%0.329CS..G310 helixtrans-67.1-10.4175.367.4-93.6000113.8I318 R320 D372 R411 P457 V466 I468I318-F459 HydrophobicContact CG2-CZ 3.93Å; R320-F459 HydrophobicContact CG-CE2 4.1Å; R320-F459 HydrophobicContact CG-CZ 4.19Å; D372-F459 HydrophobicContact CB-CE2 4.36Å; R411-F459 PolarHBondContact NH1-O 2.87Å; P457-F459 HydrophobicContact CB-CD1 3.6Å; P457-F459 HydrophobicContact CB-CE1 3.15Å; P457-F459 HydrophobicContact CB-CE2 4.4Å; P457-F459 HydrophobicContact CB-CG 4.36Å; P457-F459 HydrophobicContact CB-CZ 3.63Å; P457-F459 HydrophobicContact CG-CE1 3.82Å; P457-F459 HydrophobicContact CG-CZ 3.88Å; P457-F459 PolarHBondContact O-N 2.99Å; F459-V466 HydrophobicContact CE1-CB 4.37Å; F459-I468 HydrophobicContact CD1-CD1 3.93Å; F459-I468 HydrophobicContact CE1-CD1 3.17Å; F459-I468 HydrophobicContact CE1-CG1 4.34Å; F459-I468 HydrophobicContact CZ-CD1 3.59Å
460L91.7Very high90.9Very high2 Ų255.9 Ų55.91%0.0132%0.321CS..G310 helixtrans-105.414.3169.6-61.4177.7000112.2L370 V410 Y443 L447 I456 P457 D458 G462L370-L460 HydrophobicContact CD2-CD1 3.85Å; V410-L460 HydrophobicContact CG2-CD1 4.28Å; V410-L460 HydrophobicContact CG2-CD2 3.83Å; Y443-L460 HydrophobicContact CE2-CB 4.13Å; Y443-L460 HydrophobicContact CE2-CD2 4.13Å; Y443-L460 WeakPolarHBondContact CE2-O 3.34Å; L447-L460 HydrophobicContact CD1-CB 4.48Å; L447-L460 HydrophobicContact CD1-CD1 3.95Å; I456-L460 HydrophobicContact CG2-CB 4.26Å; P457-L460 HydrophobicContact CG-CD1 4.38Å; P457-L460 CarbonylContact O-C 3.56Å; P457-L460 WeakPolarHBondContact O-CA 3.46Å; P457-L460 PolarHBondContact O-N 3.09Å; D458-L460 PolarHBondContact O-N 3.36Å; D458-L460 VanDerWaalsContact O-N 3.12Å; L460-G462 VanDerWaalsContact C-N 3.32Å
461G88.3Confident90.5Very high74 Ų7455.4 Ų55.476%0.76333%0.329SS*.THydrogen-bonded Turntrans7911.6-179.400000114.4P457 D458P457-G461 PolarHBondContact O-N 3.37Å; D458-G461 WeakPolarHBondContact O-CA 3.47Å; D458-G461 PolarHBondContact O-N 3.06Å
462G91.3Very high90.1Very high18 Ų1860.3 Ų60.319%0.18636%0.355CS..  trans-86.6175.7175.200000113.8I456 P457 D458 L460I456-G462 CarbonylContact O-C 3.2Å; I456-G462 VanDerWaalsContact O-CA 3.29Å; I456-G462 WeakPolarHBondContact O-CA 3.34Å; P457-G462 WeakPolarHBondContact O-CA 3.4Å; P457-G462 PolarHBondContact O-N 3.04Å; D458-G462 VanDerWaalsContact CA-O 3.3Å; D458-G462 WeakPolarHBondContact CA-O 3.43Å; L460-G462 VanDerWaalsContact C-N 3.32Å
463P92Very high90Very high87 Ų8756.7 Ų56.757%0.56534%0.338SS*.SBendtrans-87.5-8.9-178.635.2-36.1000114Q453 P465Q453-P463 WeakPolarHBondContact O-CD 3.08Å; Q453-P463 WeakPolarHBondContact O-CG 3.31Å; P463-P465 VanDerWaalsContact O-CD 3.28Å; P463-P465 WeakPolarHBondContact O-CD 3.26Å
464C93.7Very high89.7Confident16 Ų1652.4 Ų52.411%0.10832%0.322CS..BIsolated β-bridgetrans-84.3112.7-174.5-169.30000110.4K454 I456 P457 D458 V466K454-C464 WeakPolarHBondContact O-CB 3.13Å; I456-C464 WeakPolarHBondContact O-CB 3.49Å; I456-C464 PolarHBondContact O-N 3.11Å; P457-C464 CarbonylContact C-O 3.52Å; P457-C464 WeakPolarHBondContact CA-O 3.45Å; D458-C464 PolarHBondContact N-O 3.18Å; C464-V466 PolarHBondContact O-N 2.99Å
465P92.7Very high89.1Confident108 Ų10851.1 Ų51.170%0.70132%0.318SS*.  trans-70.6122.4176.829.1-32.9000109.6P463P463-P465 VanDerWaalsContact O-CD 3.28Å; P463-P465 WeakPolarHBondContact O-CD 3.26Å
466V91.3Very high88.8Confident24 Ų2452.8 Ų52.815%0.14534%0.341CS..  trans-130.6113.6179-173.20000109.5F305 P457 D458 F459 C464 I468F305-V466 HydrophobicContact CE1-CG1 3.87Å; F305-V466 HydrophobicContact CE2-CG1 3.72Å; F305-V466 HydrophobicContact CZ-CB 4.47Å; F305-V466 HydrophobicContact CZ-CG1 3.27Å; P457-V466 HydrophobicContact CB-CB 4.46Å; P457-V466 HydrophobicContact CB-CG2 3.94Å; P457-V466 HydrophobicContact CG-CG2 4.36Å; D458-V466 PolarHBondContact OD1-N 3.19Å; F459-V466 HydrophobicContact CE1-CB 4.37Å; C464-V466 PolarHBondContact O-N 2.99Å; V466-I468 HydrophobicContact CB-CG1 4.37Å; V466-I468 HydrophobicContact CG1-CD1 3.91Å; V466-I468 HydrophobicContact CG1-CG1 3.44Å; V466-I468 VanDerWaalsContact CG1-CG1 3.44Å
467N85.6Confident88.5Confident165 Ų16555.4 Ų55.488%0.88236%0.355SS*.  trans-88.9109.6170.2-168.412000109.3
468I84.3Confident88.2Confident22 Ų2256.8 Ų56.811%0.11336%0.36CS..  trans-108.8127.2-178.1-52.7170.3000108.1P303 F305 R320 F459 V466P303-I468 HydrophobicContact CB-CG2 4.28Å; F305-I468 HydrophobicContact CD1-CD1 4.2Å; F305-I468 HydrophobicContact CD1-CG1 3.98Å; F305-I468 HydrophobicContact CD1-CG2 4.12Å; F305-I468 HydrophobicContact CE1-CD1 3.34Å; F305-I468 HydrophobicContact CE1-CG1 3.47Å; F305-I468 VanDerWaalsContact CE1-CG1 3.47Å; F305-I468 HydrophobicContact CE1-CG2 4.3Å; F305-I468 HydrophobicContact CZ-CD1 4.05Å; F305-I468 HydrophobicContact CZ-CG1 4.15Å; R320-I468 HydrophobicContact CG-CD1 4.03Å; F459-I468 HydrophobicContact CD1-CD1 3.93Å; F459-I468 HydrophobicContact CE1-CD1 3.17Å; F459-I468 HydrophobicContact CE1-CG1 4.34Å; F459-I468 HydrophobicContact CZ-CD1 3.59Å; V466-I468 HydrophobicContact CB-CG1 4.37Å; V466-I468 HydrophobicContact CG1-CD1 3.91Å; V466-I468 HydrophobicContact CG1-CG1 3.44Å; V466-I468 VanDerWaalsContact CG1-CG1 3.44Å
469P84.4Confident87.8Confident50 Ų5059.3 Ų59.333%0.32536%0.364SS..  trans-56.9157.3170.9-17.228.2000111.8A299 D300 P303A299-P469 WeakPolarHBondContact O-CG 3.47Å; D300-P469 VanDerWaalsContact O-CB 3.28Å; D300-P469 WeakPolarHBondContact O-CB 3.19Å; P303-P469 VanDerWaalsContact CA-O 3.27Å; P303-P469 WeakPolarHBondContact CA-O 3.28Å; P303-P469 WeakPolarHBondContact CB-O 3.34Å
470G82.1Confident86.9Confident35 Ų3564.9 Ų64.936%0.36140%0.395SS..  trans164.3178.7-17900000112.9
471G82.5Confident85.7Confident33 Ų3372.2 Ų72.234%0.3443%0.429SS..SBendtrans106.6-175.5-176.400000112.4
472L85.8Confident84.5Confident104 Ų10471.8 Ų71.855%0.54541%0.405SS..PPolyproline II helixtrans-74.1136.6179.8-62.6176.5000110.2D325 P474D325-L472 HydrophobicContact CB-CD2 4.31Å; L472-P474 WeakPolarHBondContact O-CD 3.36Å
473I89.6Confident82.9Confident9 Ų971.8 Ų71.85%0.04640%0.402CS..PPolyproline II helixtrans-80.1124.8177-65.8161.4000108V297 Y301 D325 L329 A332 L477 Y478V297-I473 HydrophobicContact CG1-CD1 3.68Å; V297-I473 HydrophobicContact CG1-CG1 4.22Å; V297-I473 HydrophobicContact CG1-CG2 4.19Å; Y301-I473 HydrophobicContact CD1-CG1 4.21Å; Y301-I473 HydrophobicContact CD2-CG1 4.38Å; Y301-I473 HydrophobicContact CG-CG1 3.84Å; D325-I473 HydrophobicContact CB-CD1 4.45Å; D325-I473 HydrophobicContact CB-CG1 4.49Å; D325-I473 PolarHBondContact OD2-N 2.81Å; L329-I473 HydrophobicContact CB-CD1 4Å; L329-I473 HydrophobicContact CD1-CD1 4.23Å; L329-I473 VanDerWaalsContact N-CD1 3.31Å; A332-I473 HydrophobicContact CB-CG2 4.26Å; I473-L477 HydrophobicContact CG2-CB 4.12Å; I473-L477 HydrophobicContact CG2-CD1 4.19Å; I473-Y478 HydrophobicContact CB-CE1 4.21Å; I473-Y478 HydrophobicContact CG2-CD1 4.36Å; I473-Y478 HydrophobicContact CG2-CE1 3.84Å; I473-Y478 PolarHBondContact O-OH 3.43Å; I473-Y478 VanDerWaalsContact O-OH 3.1Å
474P87.5Confident80.8Confident49 Ų4970.2 Ų70.232%0.31840%0.397SS..PPolyproline II helixtrans-60.7142178.8-25.634.2000112.8Y301 L472 S476 L477Y301-P474 HydrophobicContact CE1-CG 4.32Å; Y301-P474 VanDerWaalsContact CZ-CD 3.46Å; Y301-P474 WeakPolarHBondContact OH-CD 3.39Å; Y301-P474 WeakPolarHBondContact OH-CG 3.2Å; L472-P474 WeakPolarHBondContact O-CD 3.36Å; P474-S476 PolarHBondContact O-N 2.91Å; P474-S476 VanDerWaalsContact O-N 3.12Å; P474-L477 WeakPolarHBondContact O-CB 3.25Å; P474-L477 PolarHBondContact O-N 2.9Å
475E81.8Confident78.7Confident84 Ų8472.7 Ų72.739%0.39342%0.418SS..G310 helixtrans-60.2-26.4178.7-153.3-156.5-17600112.7L477 Y478 G580E475-L477 PolarHBondContact O-N 2.59Å; E475-Y478 HydrophobicContact CB-CD2 4Å; E475-Y478 HydrophobicContact CB-CE2 4.02Å; E475-Y478 HydrophobicContact CG-CD2 3.21Å; E475-Y478 HydrophobicContact CG-CE2 3.52Å; E475-Y478 HydrophobicContact CG-CG 4.02Å; E475-Y478 VanDerWaalsContact O-CB 3.28Å; E475-Y478 WeakPolarHBondContact O-CB 3.46Å; E475-Y478 PolarHBondContact O-N 3.22Å; E475-G580 WeakPolarHBondContact OE2-CA 3.47Å
476S86.4Confident76.7Confident110 Ų11068.9 Ų68.977%0.76939%0.391SS*.G310 helixtrans-59.3-18.2174.661.40000113.7P474P474-S476 PolarHBondContact O-N 2.91Å; P474-S476 VanDerWaalsContact O-N 3.12Å
477L89.5Confident74.8Confident60 Ų6073.8 Ų73.831%0.31441%0.407SS..G310 helixtrans-94.3-5.3174.6-61.6-179.1000113.3V297 Y301 I473 P474 E475V297-L477 HydrophobicContact CG2-CB 4.22Å; V297-L477 HydrophobicContact CG2-CD1 4.17Å; Y301-L477 HydrophobicContact CD2-CD1 4.39Å; Y301-L477 HydrophobicContact CE2-CD1 3.71Å; I473-L477 HydrophobicContact CG2-CB 4.12Å; I473-L477 HydrophobicContact CG2-CD1 4.19Å; P474-L477 WeakPolarHBondContact O-CB 3.25Å; P474-L477 PolarHBondContact O-N 2.9Å; E475-L477 PolarHBondContact O-N 2.59Å
478Y88.5Confident73Confident29 Ų2973 Ų7311%0.11440%0.397CS..  trans-74.5141.9179.9-63.5-6.1000111.3G328 R331 A332 I473 E475G328-Y478 WeakPolarHBondContact CA-OH 3.41Å; R331-Y478 HydrophobicContact CB-CD1 3.8Å; R331-Y478 HydrophobicContact CB-CD2 3.86Å; R331-Y478 HydrophobicContact CB-CE1 4.09Å; R331-Y478 HydrophobicContact CB-CE2 4.2Å; R331-Y478 HydrophobicContact CB-CG 3.68Å; R331-Y478 HydrophobicContact CG-CD2 4.38Å; A332-Y478 HydrophobicContact CB-CD1 4.18Å; I473-Y478 HydrophobicContact CB-CE1 4.21Å; I473-Y478 HydrophobicContact CG2-CD1 4.36Å; I473-Y478 HydrophobicContact CG2-CE1 3.84Å; I473-Y478 PolarHBondContact O-OH 3.43Å; I473-Y478 VanDerWaalsContact O-OH 3.1Å; E475-Y478 HydrophobicContact CB-CD2 4Å; E475-Y478 HydrophobicContact CB-CE2 4.02Å; E475-Y478 HydrophobicContact CG-CD2 3.21Å; E475-Y478 HydrophobicContact CG-CE2 3.52Å; E475-Y478 HydrophobicContact CG-CG 4.02Å; E475-Y478 VanDerWaalsContact O-CB 3.28Å; E475-Y478 WeakPolarHBondContact O-CB 3.46Å; E475-Y478 PolarHBondContact O-N 3.22Å
479R83.1Confident71.3Confident128 Ų12874.7 Ų74.748%0.48342%0.421SS..  trans-90.3128176.2-69179-176.1170.73.9110.3R331 A332 E481 Y482 S483R331-R479 PolarHBondContact O-N 3.22Å; R331-R479 VanDerWaalsContact O-N 3.09Å; A332-R479 WeakPolarHBondContact O-CD 3.27Å; A332-R479 WeakPolarHBondContact O-CG 3.44Å; A332-R479 PolarHBondContact O-NE 3.34Å; R479-E481 PolarHBondContact O-N 3.08Å; R479-Y482 HydrophobicContact CB-CD2 3.83Å; R479-Y482 HydrophobicContact CB-CE2 4.37Å; R479-Y482 PolarHBondContact O-N 3.13Å; R479-Y482 VanDerWaalsContact O-N 3.11Å; R479-S483 PolarHBondContact O-N 3.04Å; R479-S483 PolarHBondContact O-OG 2.97Å
480L72.3Confident69.5Low156 Ų15673.5 Ų73.582%0.81741%0.411SS*.Hα-helixtrans-50.8-40.4179.6-86.5128.1000113.7Y482 S483 A484L480-Y482 PolarHBondContact O-N 2.95Å; L480-S483 PolarHBondContact O-N 3.07Å; L480-A484 PolarHBondContact O-N 2.95Å
481E67.8Low67.9Low155 Ų15578.4 Ų78.472%0.72443%0.425SS*.Hα-helixtrans-60-45-179.7-65.6176.2-172.800112R479 A485R479-E481 PolarHBondContact O-N 3.08Å; E481-A485 PolarHBondContact O-N 3.38Å
482Y62.5Low66.6Low66 Ų6686 Ų8626%0.25945%0.451SS..Hα-helixtrans-72.7-40.6177.3-60.9-50.2000110.6R479 L480 A484 A485 F486R479-Y482 HydrophobicContact CB-CD2 3.83Å; R479-Y482 HydrophobicContact CB-CE2 4.37Å; R479-Y482 PolarHBondContact O-N 3.13Å; R479-Y482 VanDerWaalsContact O-N 3.11Å; L480-Y482 PolarHBondContact O-N 2.95Å; Y482-A484 PolarHBondContact O-N 3.41Å; Y482-A485 PolarHBondContact O-N 2.96Å; Y482-F486 WeakPolarHBondContact O-CB 3.27Å; Y482-F486 PolarHBondContact O-N 3.07Å
483S56.4Low65.6Low17 Ų1784.3 Ų84.312%0.11945%0.445CS..Hα-helixtrans-58.1-32.9176.9-65.20000113.7R479 L480 R487R479-S483 PolarHBondContact O-N 3.04Å; R479-S483 PolarHBondContact O-OG 2.97Å; L480-S483 PolarHBondContact O-N 3.07Å; S483-R487 VanDerWaalsContact O-CG 3.25Å; S483-R487 WeakPolarHBondContact O-CG 3.32Å; S483-R487 PolarHBondContact O-N 3.31Å; S483-R487 PolarHBondContact O-NE 3.28Å
484A49.7Very low64.7Low55 Ų5584.8 Ų84.846%0.45545%0.447SS..Hα-helixtrans-78.5-49177.500000112.8L480 Y482 F486 R487 H488L480-A484 PolarHBondContact O-N 2.95Å; Y482-A484 PolarHBondContact O-N 3.41Å; A484-F486 PolarHBondContact O-N 3.16Å; A484-R487 PolarHBondContact O-N 3.12Å; A484-R487 VanDerWaalsContact O-N 3.14Å; A484-H488 PolarHBondContact O-N 2.75Å
485A48.7Very low64.3Low68 Ų6886.7 Ų86.756%0.56245%0.454SS*.Hα-helixtrans-61.7-35.5177.200000112.1E481 Y482 R487 H488 G489E481-A485 PolarHBondContact O-N 3.38Å; Y482-A485 PolarHBondContact O-N 2.96Å; A485-R487 VanDerWaalsContact C-N 3.34Å; A485-R487 PolarHBondContact O-N 3.45Å; A485-H488 PolarHBondContact O-N 3.3Å; A485-G489 PolarHBondContact O-N 3.36Å
486F52Low64.4Low27 Ų2786.3 Ų86.312%0.11846%0.458CS..Hα-helixtrans-65.9-32.8176.4-165.6-80.3000112.7K327 L330 R331 W382 Y482 A484 L490K327-F486 HydrophobicContact CG-CZ 4.06Å; L330-F486 HydrophobicContact CD2-CE2 4.02Å; L330-F486 HydrophobicContact CG-CE2 4.41Å; R331-F486 HydrophobicContact CG-CD2 4.24Å; R331-F486 HydrophobicContact CG-CE2 3.94Å; R331-F486 HydrophobicContact CG-CZ 4.21Å; R331-F486 VanDerWaalsContact NH2-CE1 3.27Å; W382-F486 HydrophobicContact CH2-CD2 4.14Å; W382-F486 AromaticContact CH2-CE1 3.93Å; W382-F486 HydrophobicContact CH2-CE1 3.93Å; W382-F486 AromaticContact CH2-CE2 3.08Å; W382-F486 HydrophobicContact CH2-CE2 3.08Å; W382-F486 AromaticContact CH2-CZ 2.92Å; W382-F486 HydrophobicContact CH2-CZ 2.92Å; W382-F486 AromaticContact CZ2-CE1 3.8Å; W382-F486 HydrophobicContact CZ2-CE1 3.8Å; W382-F486 AromaticContact CZ2-CE2 3.81Å; W382-F486 HydrophobicContact CZ2-CE2 3.81Å; W382-F486 AromaticContact CZ2-CZ 3.23Å; W382-F486 HydrophobicContact CZ2-CZ 3.23Å; W382-F486 AromaticContact CZ3-CE2 3.86Å; W382-F486 HydrophobicContact CZ3-CE2 3.86Å; W382-F486 AromaticContact CZ3-CZ 3.76Å; W382-F486 HydrophobicContact CZ3-CZ 3.76Å; Y482-F486 WeakPolarHBondContact O-CB 3.27Å; Y482-F486 PolarHBondContact O-N 3.07Å; A484-F486 PolarHBondContact O-N 3.16Å; F486-L490 HydrophobicContact CD1-CD1 3.47Å; F486-L490 VanDerWaalsContact CD1-CD1 3.47Å; F486-L490 HydrophobicContact CD1-CG 4.33Å; F486-L490 HydrophobicContact CE1-CD1 3.25Å; F486-L490 HydrophobicContact CE1-CG 4.39Å; F486-L490 HydrophobicContact CZ-CD1 4.25Å; F486-L490 WeakPolarHBondContact O-CG 3.26Å
487R51.2Low64.4Low128 Ų12881.2 Ų81.248%0.48342%0.422SS..Hα-helixtrans-67.4-44.5175.2-73.4170.8-153.1-140.72.5111.6S483 A484 A485 G489 L490 E491S483-R487 VanDerWaalsContact O-CG 3.25Å; S483-R487 WeakPolarHBondContact O-CG 3.32Å; S483-R487 PolarHBondContact O-N 3.31Å; S483-R487 PolarHBondContact O-NE 3.28Å; A484-R487 PolarHBondContact O-N 3.12Å; A484-R487 VanDerWaalsContact O-N 3.14Å; A485-R487 VanDerWaalsContact C-N 3.34Å; A485-R487 PolarHBondContact O-N 3.45Å; R487-G489 VanDerWaalsContact C-N 3.27Å; R487-G489 PolarHBondContact O-N 3.44Å; R487-L490 PolarHBondContact O-N 3.46Å; R487-L490 VanDerWaalsContact O-N 3.08Å; R487-E491 PolarHBondContact O-N 3.45Å; R487-E491 VanDerWaalsContact O-N 3.12Å
488H47.2Very low64.3Low147 Ų14782.9 Ų82.968%0.68143%0.425SS*.Hα-helixtrans-63.6-29.8-177.4-75.58.9000113.6A484 A485A484-H488 PolarHBondContact O-N 2.75Å; A485-H488 PolarHBondContact O-N 3.3Å
489G49.3Very low64.3Low59 Ų5981.5 Ų81.561%0.60842%0.42SS*.Hα-helixtrans-77.9-22.8174.800000114.6A485 R487A485-G489 PolarHBondContact O-N 3.36Å; R487-G489 VanDerWaalsContact C-N 3.27Å; R487-G489 PolarHBondContact O-N 3.44Å
490L45.9Very low64.4Low24 Ų2480 Ų8013%0.12642%0.415CS..Hα-helixtrans-101.7-12.1-173.3-69.8-175.2000114.7W382 F486 R487 Q492 V493 Y494W382-L490 HydrophobicContact CZ2-CD1 4.17Å; W382-L490 HydrophobicContact CZ2-CD2 4.27Å; F486-L490 HydrophobicContact CD1-CD1 3.47Å; F486-L490 VanDerWaalsContact CD1-CD1 3.47Å; F486-L490 HydrophobicContact CD1-CG 4.33Å; F486-L490 HydrophobicContact CE1-CD1 3.25Å; F486-L490 HydrophobicContact CE1-CG 4.39Å; F486-L490 HydrophobicContact CZ-CD1 4.25Å; F486-L490 WeakPolarHBondContact O-CG 3.26Å; R487-L490 PolarHBondContact O-N 3.46Å; R487-L490 VanDerWaalsContact O-N 3.08Å; L490-Q492 PolarHBondContact O-N 3.07Å; L490-V493 PolarHBondContact O-N 3.08Å; L490-Y494 HydrophobicContact CB-CD2 3.86Å; L490-Y494 HydrophobicContact CB-CE2 4.14Å; L490-Y494 HydrophobicContact CD1-CD2 4.19Å; L490-Y494 HydrophobicContact CD1-CE2 3.71Å; L490-Y494 HydrophobicContact CD2-CD2 4.33Å; L490-Y494 HydrophobicContact CD2-CE2 3.87Å; L490-Y494 HydrophobicContact CG-CD2 4.36Å; L490-Y494 HydrophobicContact CG-CE2 4.13Å; L490-Y494 PolarHBondContact O-N 2.84Å; L490-Y494 VanDerWaalsContact O-N 3.1Å
491E48.6Very low64.7Low138 Ų13876.9 Ų76.965%0.64539%0.394SS*.THydrogen-bonded Turntrans-55.7-20.4-179.7-88174.8-17000113.7R487R487-E491 PolarHBondContact O-N 3.45Å; R487-E491 VanDerWaalsContact O-N 3.12Å
492Q54.1Low65.1Low193 Ų19373 Ų7390%0.90240%0.396SS*.THydrogen-bonded Turntrans-82.5-16.2174.6-64.6-173.72.300114.3L490L490-Q492 PolarHBondContact O-N 3.07Å
493V64.8Low66.1Low68 Ų6873.8 Ų73.841%0.41240%0.399SS..THydrogen-bonded Turntrans-108.4-37-173-1780000111.4L490 H627L490-V493 PolarHBondContact O-N 3.08Å; V493-H627 HydrophobicContact CG1-CB 4.45Å; V493-H627 VanDerWaalsContact CG1-CD2 3.43Å; V493-H627 WeakPolarHBondContact CG1-CD2 3.37Å; V493-H627 PolarHBondContact O-CD2 2.79Å
494Y72Confident67.6Low20 Ų2074.1 Ų74.18%0.07840%0.4CS..PPolyproline II helixtrans-96.3137.4-173.3-73.4-110.9000113.1L490 D521 V625 H627L490-Y494 HydrophobicContact CB-CD2 3.86Å; L490-Y494 HydrophobicContact CB-CE2 4.14Å; L490-Y494 HydrophobicContact CD1-CD2 4.19Å; L490-Y494 HydrophobicContact CD1-CE2 3.71Å; L490-Y494 HydrophobicContact CD2-CD2 4.33Å; L490-Y494 HydrophobicContact CD2-CE2 3.87Å; L490-Y494 HydrophobicContact CG-CD2 4.36Å; L490-Y494 HydrophobicContact CG-CE2 4.13Å; L490-Y494 PolarHBondContact O-N 2.84Å; L490-Y494 VanDerWaalsContact O-N 3.1Å; Y494-D521 HydrophobicContact CE1-CB 4.11Å; Y494-D521 PolarHBondContact OH-OD1 3.45Å; Y494-D521 PolarHBondContact OH-OD2 3.3Å; Y494-V625 VanDerWaalsContact CB-CG1 3.43Å; Y494-V625 HydrophobicContact CD1-CG1 3.89Å; Y494-V625 HydrophobicContact CG-CG1 4Å; Y494-H627 HydrophobicContact CD1-CB 3.88Å; Y494-H627 HydrophobicContact CD2-CB 4.32Å; Y494-H627 HydrophobicContact CE1-CB 3.98Å; Y494-H627 HydrophobicContact CE2-CB 4.37Å; Y494-H627 HydrophobicContact CG-CB 4.08Å
495N79.3Confident69.5Low88 Ų8874 Ų7447%0.47139%0.39SS..EExtended strand (participates in β ladder)trans-89.2148171.7-66.8-45.1000110.7V625 Y626N495-V625 CarbonylContact O-C 3.59Å; N495-V625 VanDerWaalsContact O-CA 3.29Å; N495-V625 WeakPolarHBondContact O-CA 3.44Å; N495-Y626 HydrophobicContact CB-CD1 4.11Å; N495-Y626 HydrophobicContact CB-CE1 3.53Å; N495-Y626 HydrophobicContact CB-CE2 4.4Å; N495-Y626 PolarHBondContact N-O 2.95Å; N495-Y626 WeakPolarHBondContact O-CD1 3.29Å; N495-Y626 PolarHBondContact O-N 2.81Å
496T83Confident71.5Confident77 Ų7771.7 Ų71.747%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-100.3127.6172-62.10000110.3Y498 K623T496-Y498 HydrophobicContact CG2-CE2 3.91Å; T496-K623 HydrophobicContact CG2-CG 4.25Å
497A87Confident73.3Confident3 Ų370.8 Ų70.83%0.02537%0.365CS..EExtended strand (participates in β ladder)trans-117.9150.9172.300000111.6F505 V624 Y626A497-F505 HydrophobicContact CB-CB 4.49Å; A497-F505 HydrophobicContact CB-CD1 3.52Å; A497-F505 HydrophobicContact CB-CD2 3.88Å; A497-F505 HydrophobicContact CB-CE1 3.64Å; A497-F505 HydrophobicContact CB-CE2 3.98Å; A497-F505 HydrophobicContact CB-CG 3.67Å; A497-F505 HydrophobicContact CB-CZ 3.88Å; A497-V624 PolarHBondContact N-O 3.2Å; A497-V624 PolarHBondContact O-N 3.1Å; A497-V624 VanDerWaalsContact O-O 3.12Å; A497-Y626 HydrophobicContact CB-CD1 3.91Å; A497-Y626 HydrophobicContact CB-CE1 3.68Å
498Y87.6Confident75.2Confident95 Ų9566 Ų6637%0.37335%0.347SS..EExtended strand (participates in β ladder)trans-120122.7171.8-64.4-85000108.7T496 K621 C622 K623T496-Y498 HydrophobicContact CG2-CE2 3.91Å; Y498-K621 HydrophobicContact CD1-CD 4.27Å; Y498-C622 CarbonylContact C-O 3.42Å; Y498-C622 WeakPolarHBondContact CA-O 3.07Å; Y498-K623 HydrophobicContact CD1-CB 4.17Å; Y498-K623 HydrophobicContact CD1-CG 4.14Å; Y498-K623 HydrophobicContact CE1-CB 4.12Å; Y498-K623 HydrophobicContact CE1-CD 3.93Å; Y498-K623 HydrophobicContact CE1-CG 3.76Å
499V88.3Confident77.2Confident0 Ų059.3 Ų59.30%032%0.317CS..EExtended strand (participates in β ladder)trans-102.5121-179.8-175.20000107.9F505 W599 C622 V624V499-F505 HydrophobicContact CG2-CB 3.91Å; V499-W599 WeakPolarHBondContact CG1-O 3.33Å; V499-W599 HydrophobicContact CG2-CB 3.6Å; V499-C622 HydrophobicContact CB-CB 4.1Å; V499-C622 PolarHBondContact N-O 3Å; V499-C622 PolarHBondContact O-N 3.49Å; V499-V624 HydrophobicContact CG2-CG2 4.21Å
500Y84Confident79.2Confident96 Ų9659.3 Ų59.338%0.37631%0.306SS..EExtended strand (participates in β ladder)trans-107.8155-178.6-60.7-89000110.6G502 Y503 K621Y500-G502 PolarHBondContact O-N 2.94Å; Y500-Y503 PolarHBondContact N-O 3.2Å; Y500-Y503 CarbonylContact O-C 3.52Å; Y500-Y503 PolarHBondContact O-N 3.34Å; Y500-Y503 VanDerWaalsContact O-O 3.05Å; Y500-K621 HydrophobicContact CD1-CB 4.11Å; Y500-K621 HydrophobicContact CE1-CB 3.89Å
501K79.6Confident81.2Confident90 Ų9058.2 Ų58.239%0.39130%0.301SS..THydrogen-bonded Turntrans-57.6123.7175.5-171.9172.1-172.7163.70111Y503K501-Y503 WeakPolarHBondContact O-CD2 3.49Å; K501-Y503 PolarHBondContact O-N 3.06Å
502G76.8Confident83Confident73 Ų7354.7 Ų54.775%0.75330%0.295SS*.THydrogen-bonded Turntrans78.2-5.2-177.800000115.5Y500Y500-G502 PolarHBondContact O-N 2.94Å
503Y81.9Confident84.4Confident84 Ų8448.8 Ų48.833%0.32927%0.27SS..BIsolated β-bridgetrans-124.991.5-179.7-65.6-83.4000109.6Y500 K501 A550 G551 L558Y500-Y503 PolarHBondContact N-O 3.2Å; Y500-Y503 CarbonylContact O-C 3.52Å; Y500-Y503 PolarHBondContact O-N 3.34Å; Y500-Y503 VanDerWaalsContact O-O 3.05Å; K501-Y503 WeakPolarHBondContact O-CD2 3.49Å; K501-Y503 PolarHBondContact O-N 3.06Å; Y503-A550 HydrophobicContact CE1-CB 4.41Å; Y503-A550 WeakPolarHBondContact OH-CB 3.41Å; Y503-G551 PolarHBondContact OH-N 2.98Å; Y503-L558 HydrophobicContact CD1-CD1 4.18Å; Y503-L558 HydrophobicContact CD1-CD2 4.47Å
504P87.9Confident85.2Confident23 Ų2349.1 Ų49.115%0.14927%0.272CS..  trans-58.7149.8174.718-26.7000112E506 L558 Q598 W599 R600P504-E506 HydrophobicContact CB-CG 4.4Å; P504-L558 HydrophobicContact CG-CD1 4.12Å; P504-L558 WeakPolarHBondContact O-CD1 3.41Å; P504-Q598 HydrophobicContact CB-CG 3.77Å; P504-W599 CarbonylContact C-O 3.57Å; P504-W599 VanDerWaalsContact CA-O 3.22Å; P504-W599 WeakPolarHBondContact CA-O 3.25Å; P504-R600 HydrophobicContact CB-CG 3.7Å; P504-R600 HydrophobicContact CG-CG 4.46Å
505F89.6Confident85.3Confident53 Ų5349.4 Ų49.423%0.23228%0.281CS..EExtended strand (participates in β ladder)trans-93.3134.7161.5-176.8-100.4000108.9A497 V499 A507 Q598 W599 Y626A497-F505 HydrophobicContact CB-CB 4.49Å; A497-F505 HydrophobicContact CB-CD1 3.52Å; A497-F505 HydrophobicContact CB-CD2 3.88Å; A497-F505 HydrophobicContact CB-CE1 3.64Å; A497-F505 HydrophobicContact CB-CE2 3.98Å; A497-F505 HydrophobicContact CB-CG 3.67Å; A497-F505 HydrophobicContact CB-CZ 3.88Å; V499-F505 HydrophobicContact CG2-CB 3.91Å; F505-A507 HydrophobicContact CE1-CB 4.48Å; F505-Q598 CarbonylContact O-C 3.51Å; F505-Q598 WeakPolarHBondContact O-CA 3.29Å; F505-W599 AromaticContact CD1-CE3 3.62Å; F505-W599 HydrophobicContact CD1-CE3 3.62Å; F505-W599 AromaticContact CD1-CZ3 3.84Å; F505-W599 HydrophobicContact CD1-CZ3 3.84Å; F505-W599 HydrophobicContact CE1-CE3 4.32Å; F505-W599 HydrophobicContact CE1-CZ3 4.06Å; F505-W599 PolarHBondContact N-O 2.85Å; F505-W599 PolarHBondContact O-N 2.96Å; F505-Y626 HydrophobicContact CD1-CE1 4.47Å; F505-Y626 HydrophobicContact CE1-CD1 4.28Å; F505-Y626 AromaticContact CE1-CE1 3.53Å; F505-Y626 HydrophobicContact CE1-CE1 3.53Å; F505-Y626 HydrophobicContact CE1-CE2 4.07Å; F505-Y626 AromaticContact CE1-CZ 3.41Å; F505-Y626 VanDerWaalsContact CE1-CZ 3.41Å; F505-Y626 WeakPolarHBondContact CE1-OH 3.43Å; F505-Y626 AromaticContact CZ-CE1 3.85Å; F505-Y626 HydrophobicContact CZ-CE1 3.85Å; F505-Y626 AromaticContact CZ-CZ 3.66Å; F505-Y626 VanDerWaalsContact CZ-OH 3.22Å; F505-Y626 WeakPolarHBondContact CZ-OH 3.12Å
506E90.9Very high85.4Confident20 Ų2045.3 Ų45.39%0.09326%0.259CS..EExtended strand (participates in β ladder)trans-131.8126.1-174.1-70.6165.8-178.500109.5P504 F508 L557 L558 I596 L597 Q598P504-E506 HydrophobicContact CB-CG 4.4Å; E506-F508 HydrophobicContact CB-CD2 4.49Å; E506-F508 HydrophobicContact CB-CE2 3.69Å; E506-F508 HydrophobicContact CB-CZ 3.91Å; E506-F508 WeakPolarHBondContact OE2-CZ 3.33Å; E506-L557 VanDerWaalsContact CD-CD2 3.48Å; E506-L557 HydrophobicContact CG-CD2 4.4Å; E506-L557 WeakPolarHBondContact OE1-CD2 3.43Å; E506-L558 PolarHBondContact OE2-N 2.8Å; E506-L558 VanDerWaalsContact OE2-N 3.11Å; E506-I596 HydrophobicContact CB-CG2 4.03Å; E506-I596 HydrophobicContact CG-CG2 4.14Å; E506-L597 WeakPolarHBondContact CA-O 3.38Å; E506-Q598 HydrophobicContact CG-CB 4.21Å; E506-Q598 HydrophobicContact CG-CG 3.81Å; E506-Q598 PolarHBondContact OE1-NE2 3.29Å
507A90Very high85.1Confident7 Ų742 Ų426%0.05824%0.239CC..EExtended strand (participates in β ladder)trans-109.5120.716800000109.4F505 I596 L597 W599 Y626F505-A507 HydrophobicContact CE1-CB 4.48Å; A507-I596 WeakPolarHBondContact O-CA 3.38Å; A507-L597 HydrophobicContact CB-CB 4.27Å; A507-L597 PolarHBondContact N-O 3.3Å; A507-L597 PolarHBondContact O-N 2.97Å; A507-W599 HydrophobicContact CB-CZ3 4.3Å; A507-Y626 HydrophobicContact CB-CE2 4.12Å
508F90.6Very high85Confident27 Ų2741.8 Ų41.812%0.11824%0.238CC..EExtended strand (participates in β ladder)trans-93.9126.6-176.5-63.6-93.3000110.3E506 I540 T542 A559 T594 I596E506-F508 HydrophobicContact CB-CD2 4.49Å; E506-F508 HydrophobicContact CB-CE2 3.69Å; E506-F508 HydrophobicContact CB-CZ 3.91Å; E506-F508 WeakPolarHBondContact OE2-CZ 3.33Å; F508-I540 HydrophobicContact CD1-CB 4.36Å; F508-I540 HydrophobicContact CD1-CD1 4.11Å; F508-I540 HydrophobicContact CD1-CG2 4.16Å; F508-I540 HydrophobicContact CE1-CD1 4.02Å; F508-I540 HydrophobicContact CE1-CG2 4.46Å; F508-T542 HydrophobicContact CB-CG2 4.36Å; F508-T542 HydrophobicContact CD2-CG2 3.64Å; F508-T542 HydrophobicContact CE2-CG2 4.13Å; F508-T542 HydrophobicContact CG-CG2 3.98Å; F508-A559 HydrophobicContact CE1-CB 4.24Å; F508-A559 HydrophobicContact CE2-CB 3.62Å; F508-A559 HydrophobicContact CZ-CB 3.37Å; F508-T594 HydrophobicContact CB-CG2 4.2Å; F508-T594 HydrophobicContact CD1-CG2 4.05Å; F508-I596 HydrophobicContact CD1-CD1 4.06Å; F508-I596 HydrophobicContact CD1-CG1 3.8Å; F508-I596 HydrophobicContact CD1-CG2 4.29Å; F508-I596 HydrophobicContact CE1-CD1 3.71Å; F508-I596 HydrophobicContact CE1-CG1 3.94Å; F508-I596 HydrophobicContact CE1-CG2 4.09Å; F508-I596 HydrophobicContact CZ-CG2 4.38Å
509V90.4Very high84.6Confident7 Ų737.8 Ų37.84%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-122.195.8178.6-169.80000109.3V511 L518 Y595 L597 L630V509-V511 HydrophobicContact CG1-CG2 4.46Å; V509-L518 HydrophobicContact CB-CD1 4.28Å; V509-L518 HydrophobicContact CG1-CD1 4.03Å; V509-L518 HydrophobicContact CG2-CD1 3.98Å; V509-Y595 PolarHBondContact N-O 2.78Å; V509-Y595 PolarHBondContact O-N 2.74Å; V509-L597 HydrophobicContact CG2-CD1 4.37Å; V509-L630 HydrophobicContact CG1-CB 3.98Å; V509-L630 HydrophobicContact CG1-CD1 4.38Å; V509-L630 HydrophobicContact CG1-CD2 4.13Å; V509-L630 HydrophobicContact CG1-CG 4.39Å
510P90.3Very high84.4Confident59 Ų5939 Ų3938%0.38323%0.228SC..EExtended strand (participates in β ladder)trans-69.4130.617427.8-31.9000110.1I539P510-I539 HydrophobicContact CB-CG2 4.31Å
511V89.3Confident84.2Confident2 Ų235 Ų351%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-120.3109.8-179.2-178.20000109.3V509 D513 C589 G593 Y595 L630V509-V511 HydrophobicContact CG1-CG2 4.46Å; V511-D513 WeakPolarHBondContact CG1-O 3.22Å; V511-C589 HydrophobicContact CG1-CB 3.82Å; V511-C589 HydrophobicContact CG2-CB 4.4Å; V511-G593 PolarHBondContact N-O 3.36Å; V511-G593 PolarHBondContact O-N 3.03Å; V511-G593 VanDerWaalsContact O-N 3.12Å; V511-Y595 HydrophobicContact CB-CD2 4.08Å; V511-Y595 HydrophobicContact CB-CE2 4.05Å; V511-Y595 HydrophobicContact CG2-CD2 3.48Å; V511-Y595 VanDerWaalsContact CG2-CD2 3.48Å; V511-Y595 HydrophobicContact CG2-CE2 3.84Å; V511-Y595 HydrophobicContact CG2-CG 4.48Å; V511-L630 HydrophobicContact CG2-CD1 3.77Å; V511-L630 HydrophobicContact CG2-CD2 3.91Å
512A85.8Confident84.5Confident64 Ų6430.7 Ų30.753%0.52919%0.194SC..  trans-84.7-31.1177.600000113K592A512-K592 WeakPolarHBondContact O-CD 3.43Å; A512-K592 WeakPolarHBondContact O-CE 3.23Å; A512-K592 WeakPolarHBondContact O-CG 3.35Å; A512-K592 PolarHBondContact O-NZ 3.02Å
513D83Confident84.7Confident69 Ų6927.9 Ų27.937%0.36916%0.161SC..SBendtrans-113.2120.3-171.4-55.9-40.5000111.8V511 S516V511-D513 WeakPolarHBondContact CG1-O 3.22Å; D513-S516 WeakPolarHBondContact O-CB 3.25Å; D513-S516 PolarHBondContact O-N 3.41Å; D513-S516 PolarHBondContact O-OG 3.31Å
514T81.9Confident84.9Confident74 Ų7424 Ų2445%0.45415%0.146SC..THydrogen-bonded Turntrans-64.2135.3173.6510000110.3N590 K592T514-N590 VanDerWaalsContact CG2-O 3.3Å; T514-N590 WeakPolarHBondContact CG2-O 3.48Å; T514-K592 HydrophobicContact CG2-CD 4.4Å; T514-K592 HydrophobicContact CG2-CG 3.57Å
515G73.5Confident84.5Confident26 Ų2625.3 Ų25.327%0.26815%0.152SC..THydrogen-bonded Turntrans92.7-4.6-175.800000114.2C589G515-C589 PolarHBondContact N-O 2.89Å
516S81.4Confident84.2Confident2 Ų227.6 Ų27.61%0.01416%0.162CC..  trans-59.3152.5166.8-56.90000110.6D513 C589 L631 S633D513-S516 WeakPolarHBondContact O-CB 3.25Å; D513-S516 PolarHBondContact O-N 3.41Å; D513-S516 PolarHBondContact O-OG 3.31Å; S516-C589 WeakPolarHBondContact O-CB 3.48Å; S516-C589 PolarHBondContact O-N 2.8Å; S516-L631 CarbonylContact C-O 3.59Å; S516-L631 VanDerWaalsContact CA-O 3.26Å; S516-L631 WeakPolarHBondContact CA-O 3.3Å; S516-L631 VanDerWaalsContact CB-O 3.28Å; S516-L631 WeakPolarHBondContact CB-O 3.32Å; S516-S633 PolarHBondContact OG-N 2.93Å
517V77.2Confident84Confident7 Ų727.8 Ų27.84%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-113.5113.5-179.2-175.80000109.4T519 V588 L631 Y636V517-T519 HydrophobicContact CG1-CG2 4.05Å; V517-V588 HydrophobicContact CG2-CG2 4.38Å; V517-L631 HydrophobicContact CB-CB 4.43Å; V517-L631 PolarHBondContact N-O 2.81Å; V517-L631 PolarHBondContact O-N 2.86Å; V517-Y636 HydrophobicContact CG2-CD2 3.98Å; V517-Y636 HydrophobicContact CG2-CE2 3.85Å
518L84.2Confident83.8Confident0 Ų028.7 Ų28.70%018%0.177CC..EExtended strand (participates in β ladder)trans-81.8133.8170.517458000109.3V509 W520 S586 H587 Y595 L597 L630V509-L518 HydrophobicContact CB-CD1 4.28Å; V509-L518 HydrophobicContact CG1-CD1 4.03Å; V509-L518 HydrophobicContact CG2-CD1 3.98Å; L518-W520 HydrophobicContact CG-CE3 4.19Å; L518-W520 HydrophobicContact CG-CZ3 4.41Å; L518-S586 CarbonylContact O-C 3.52Å; L518-S586 WeakPolarHBondContact O-CA 3.43Å; L518-H587 PolarHBondContact N-O 3.42Å; L518-H587 PolarHBondContact O-N 3.4Å; L518-Y595 HydrophobicContact CD2-CG 4.28Å; L518-L597 HydrophobicContact CD2-CD2 4.47Å; L518-L630 HydrophobicContact CB-CD1 4.22Å
519T80.1Confident83.8Confident11 Ų1127.4 Ų27.47%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-129.4142.1-177.871.40000109.3I378 V517 H628 E629 L631I378-T519 HydrophobicContact CB-CG2 3.87Å; I378-T519 HydrophobicContact CD1-CG2 3.99Å; I378-T519 HydrophobicContact CG1-CG2 3.73Å; I378-T519 HydrophobicContact CG2-CG2 3.48Å; I378-T519 VanDerWaalsContact CG2-CG2 3.48Å; V517-T519 HydrophobicContact CG1-CG2 4.05Å; T519-H628 CarbonylContact O-C 3.51Å; T519-H628 WeakPolarHBondContact O-CA 3.27Å; T519-H628 VanDerWaalsContact O-CB 3.23Å; T519-H628 WeakPolarHBondContact O-CB 3.4Å; T519-E629 PolarHBondContact N-O 3.48Å; T519-E629 PolarHBondContact O-N 2.88Å; T519-E629 WeakPolarHBondContact OG1-CB 3.31Å; T519-E629 PolarHBondContact OG1-N 2.91Å; T519-E629 PolarHBondContact OG1-O 3.3Å; T519-L631 HydrophobicContact CG2-CD1 4.13Å
520W84.2Confident83.8Confident26 Ų2628.3 Ų28.310%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-140.6147175.361.490.5000110.7L518 F531 I533 Q584 G585 H587 L597 H627 H628L518-W520 HydrophobicContact CG-CE3 4.19Å; L518-W520 HydrophobicContact CG-CZ3 4.41Å; W520-F531 AromaticContact CD1-CE1 3.75Å; W520-F531 AromaticContact CD1-CZ 3.59Å; W520-F531 HydrophobicContact CD2-CE1 4.47Å; W520-F531 HydrophobicContact CD2-CZ 4.15Å; W520-F531 AromaticContact CE2-CE1 3.85Å; W520-F531 AromaticContact CE2-CZ 3.99Å; W520-F531 HydrophobicContact CG-CE1 4.43Å; W520-F531 AromaticContact CG-CZ 3.93Å; W520-F531 HydrophobicContact CG-CZ 3.93Å; W520-F531 HydrophobicContact CZ2-CE1 4.44Å; W520-F531 AromaticContact NE1-CE1 3.31Å; W520-F531 VanDerWaalsContact NE1-CE1 3.31Å; W520-F531 AromaticContact NE1-CZ 3.59Å; W520-I533 HydrophobicContact CD2-CD1 4.12Å; W520-I533 HydrophobicContact CE3-CD1 3.86Å; W520-I533 HydrophobicContact CH2-CD1 3.07Å; W520-I533 HydrophobicContact CZ2-CD1 3.34Å; W520-I533 HydrophobicContact CZ3-CD1 3.35Å; W520-Q584 WeakPolarHBondContact O-CA 3.27Å; W520-G585 VanDerWaalsContact CE2-CA 3.47Å; W520-G585 VanDerWaalsContact CZ2-CA 3.49Å; W520-G585 PolarHBondContact N-O 2.92Å; W520-G585 PolarHBondContact O-N 3.44Å; W520-H587 HydrophobicContact CH2-CB 3.94Å; W520-H587 HydrophobicContact CZ3-CB 3.73Å; W520-L597 HydrophobicContact CB-CD1 4.28Å; W520-L597 HydrophobicContact CB-CD2 4.05Å; W520-L597 HydrophobicContact CD2-CD2 3.99Å; W520-L597 HydrophobicContact CE3-CD2 3.98Å; W520-L597 HydrophobicContact CG-CD2 4.02Å; W520-H627 WeakPolarHBondContact CA-O 3.48Å; W520-H628 HydrophobicContact CB-CB 4.4Å
521D79.1Confident84Confident11 Ų1125.6 Ų25.66%0.05916%0.159CC..EExtended strand (participates in β ladder)trans-139.8125.9171.9-173.3-24.4000107.3K327 Y494 V583 Q584 Y626 H627K327-D521 IonicContact NZ-OD1 3.98Å; K327-D521 PolarHBondContact NZ-OD1 3.44Å; K327-D521 IonicContact NZ-OD2 2.63Å; K327-D521 PolarHBondContact NZ-OD2 3.2Å; Y494-D521 HydrophobicContact CE1-CB 4.11Å; Y494-D521 PolarHBondContact OH-OD1 3.45Å; Y494-D521 PolarHBondContact OH-OD2 3.3Å; D521-V583 WeakPolarHBondContact CA-O 3.46Å; D521-Q584 HydrophobicContact CB-CG 4.25Å; D521-Q584 PolarHBondContact OD2-NE2 3.28Å; D521-Y626 CarbonylContact O-C 3.48Å; D521-Y626 VanDerWaalsContact O-CA 3.29Å; D521-Y626 WeakPolarHBondContact O-CA 2.86Å; D521-H627 PolarHBondContact N-O 2.86Å; D521-H627 PolarHBondContact O-N 3.46Å
522F85.8Confident84.1Confident0 Ų026 Ų260%016%0.162CC..EExtended strand (participates in β ladder)trans-143.9153.3170.969-92.5000113.2V524 F531 C577 S582 V583 W599 V624 V625F522-V524 HydrophobicContact CD2-CG2 4.1Å; F522-V524 HydrophobicContact CE2-CG2 3.85Å; F522-F531 HydrophobicContact CD1-CD2 4.44Å; F522-F531 HydrophobicContact CD1-CE2 4.42Å; F522-F531 HydrophobicContact CE1-CB 4.07Å; F522-F531 AromaticContact CE1-CD1 3.6Å; F522-F531 HydrophobicContact CE1-CD1 3.6Å; F522-F531 AromaticContact CE1-CD2 3.61Å; F522-F531 HydrophobicContact CE1-CD2 3.61Å; F522-F531 AromaticContact CE1-CE1 3.86Å; F522-F531 HydrophobicContact CE1-CE1 3.86Å; F522-F531 AromaticContact CE1-CE2 3.85Å; F522-F531 HydrophobicContact CE1-CE2 3.85Å; F522-F531 AromaticContact CE1-CG 3.46Å; F522-F531 HydrophobicContact CE1-CG 3.46Å; F522-F531 VanDerWaalsContact CE1-CG 3.46Å; F522-F531 AromaticContact CE1-CZ 3.96Å; F522-F531 HydrophobicContact CE1-CZ 3.96Å; F522-F531 HydrophobicContact CE2-CB 4.49Å; F522-F531 HydrophobicContact CZ-CB 3.55Å; F522-F531 AromaticContact CZ-CD1 3.86Å; F522-F531 HydrophobicContact CZ-CD1 3.86Å; F522-F531 AromaticContact CZ-CD2 3.95Å; F522-F531 HydrophobicContact CZ-CD2 3.95Å; F522-F531 AromaticContact CZ-CG 3.49Å; F522-F531 HydrophobicContact CZ-CG 3.49Å; F522-F531 VanDerWaalsContact CZ-CG 3.49Å; F522-C577 HydrophobicContact CE2-CB 4.46Å; F522-S582 WeakPolarHBondContact O-CA 3.19Å; F522-V583 HydrophobicContact CD1-CB 4.09Å; F522-V583 HydrophobicContact CD1-CG1 4.45Å; F522-V583 HydrophobicContact CD2-CB 4.32Å; F522-V583 HydrophobicContact CE1-CB 3.54Å; F522-V583 HydrophobicContact CE1-CG1 3.63Å; F522-V583 HydrophobicContact CE1-CG2 4.33Å; F522-V583 HydrophobicContact CE2-CB 3.8Å; F522-V583 HydrophobicContact CE2-CG2 3.82Å; F522-V583 HydrophobicContact CG-CB 4.45Å; F522-V583 HydrophobicContact CZ-CB 3.38Å; F522-V583 HydrophobicContact CZ-CG1 3.71Å; F522-V583 HydrophobicContact CZ-CG2 3.65Å; F522-V583 PolarHBondContact N-O 3.44Å; F522-V583 PolarHBondContact O-N 2.66Å; F522-W599 HydrophobicContact CB-CZ2 4.28Å; F522-W599 AromaticContact CD1-CE2 3.96Å; F522-W599 AromaticContact CD1-CZ2 3.72Å; F522-W599 HydrophobicContact CD1-CZ2 3.72Å; F522-W599 AromaticContact CD1-NE1 3.57Å; F522-W599 AromaticContact CD2-NE1 3.5Å; F522-W599 HydrophobicContact CE1-CZ2 4.22Å; F522-W599 AromaticContact CE1-NE1 3.51Å; F522-W599 AromaticContact CE2-NE1 3.44Å; F522-W599 HydrophobicContact CG-CZ2 4.04Å; F522-W599 AromaticContact CG-NE1 3.56Å; F522-W599 AromaticContact CZ-NE1 3.44Å; F522-V624 HydrophobicContact CB-CG1 3.74Å; F522-V624 HydrophobicContact CD2-CG1 3.68Å; F522-V624 HydrophobicContact CG-CG1 3.99Å; F522-V625 CarbonylContact C-O 3.58Å; F522-V625 WeakPolarHBondContact CA-O 2.94Å; F522-V625 WeakPolarHBondContact CB-O 3.2Å
523D81.9Confident84.4Confident13 Ų1323 Ų237%0.0714%0.137CC..EExtended strand (participates in β ladder)trans-116.3128.8172.2-68.4-68.2000109.1K327 R331 I525 D581 S582 V624 V625K327-D523 IonicContact NZ-OD1 3.18Å; K327-D523 PolarHBondContact NZ-OD1 3.13Å; K327-D523 IonicContact NZ-OD2 3.83Å; K327-D523 PolarHBondContact NZ-OD2 3.45Å; K327-D523 VanDerWaalsContact NZ-OD2 3.12Å; R331-D523 IonicContact CZ-OD1 2.79Å; R331-D523 IonicContact CZ-OD2 3.69Å; R331-D523 IonicContact NH1-OD1 3.33Å; R331-D523 PolarHBondContact NH1-OD1 3.38Å; R331-D523 IonicContact NH1-OD2 2.78Å; R331-D523 IonicContact NH2-OD1 3.99Å; R331-D523 PolarHBondContact NH2-OD1 3.04Å; R331-D523 IonicContact NH2-OD2 3.49Å; R331-D523 PolarHBondContact NH2-OD2 3.48Å; D523-I525 HydrophobicContact CB-CD1 3.89Å; D523-I525 PolarHBondContact O-N 3.21Å; D523-D581 WeakPolarHBondContact CA-O 3.4Å; D523-S582 WeakPolarHBondContact OD1-CB 3.05Å; D523-S582 PolarHBondContact OD1-OG 3.22Å; D523-V624 WeakPolarHBondContact O-CA 3.38Å; D523-V625 PolarHBondContact N-O 3.27Å; D523-V625 PolarHBondContact O-N 2.87Å
524V85.5Confident84.8Confident2 Ų219.9 Ų19.91%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-82.899172.2-173.50000108.3F522 G527 C577 D578 G580 D581F522-V524 HydrophobicContact CD2-CG2 4.1Å; F522-V524 HydrophobicContact CE2-CG2 3.85Å; V524-G527 WeakPolarHBondContact CG1-O 3.45Å; V524-C577 HydrophobicContact CG2-CB 3.83Å; V524-D578 WeakPolarHBondContact CB-O 3.23Å; V524-D578 WeakPolarHBondContact CG1-O 3.04Å; V524-G580 PolarHBondContact O-N 3.34Å; V524-D581 HydrophobicContact CG2-CB 4.43Å; V524-D581 PolarHBondContact N-O 3.45Å
525I81Confident85.3Confident52 Ų5216.5 Ų16.527%0.26710%0.1SC..EExtended strand (participates in β ladder)trans-77.8-28.6-174-55.5-57.4000112.4D523 K623 V625D523-I525 HydrophobicContact CB-CD1 3.89Å; D523-I525 PolarHBondContact O-N 3.21Å; I525-K623 HydrophobicContact CB-CB 4.29Å; I525-K623 HydrophobicContact CB-CD 4.13Å; I525-K623 HydrophobicContact CB-CG 4.17Å; I525-K623 HydrophobicContact CG2-CD 4.01Å; I525-K623 PolarHBondContact N-O 3.25Å; I525-V625 HydrophobicContact CD1-CB 4.44Å; I525-V625 HydrophobicContact CD1-CG2 4.18Å; I525-V625 HydrophobicContact CG1-CB 4.16Å; I525-V625 HydrophobicContact CG1-CG2 3.58Å
526K82.5Confident86.1Confident101 Ų10115.5 Ų15.544%0.4399%0.088SC..EExtended strand (participates in β ladder)trans-157137.1-178.3-173.2174.4179.4175.30110.6C622 K623K526-C622 CarbonylContact O-C 3.51Å; K526-C622 WeakPolarHBondContact O-CA 3.34Å; K526-C622 PolarHBondContact O-SG 2.84Å; K526-C622 VanDerWaalsContact O-SG 3.36Å; K526-K623 HydrophobicContact CB-CB 4.04Å; K526-K623 PolarHBondContact N-O 3.29Å; K526-K623 PolarHBondContact O-N 3.27Å
527G85.8Confident86.5Confident24 Ų2422.7 Ų22.725%0.24712%0.121CC..SBendtrans75.2-175.917800000113.4V524 E579V524-G527 WeakPolarHBondContact CG1-O 3.45Å; G527-E579 PolarHBondContact N-OE2 3.16Å; G527-E579 VanDerWaalsContact O-CA 3.28Å; G527-E579 WeakPolarHBondContact O-CA 3.36Å; G527-E579 WeakPolarHBondContact O-CB 3.48Å; G527-E579 PolarHBondContact O-N 3.14Å; G527-E579 VanDerWaalsContact O-N 3.16Å
528A86.8Confident86.8Confident26 Ų2627.4 Ų27.422%0.21514%0.139CC..  trans-116148.3177.800000111.5C577 T602A528-C577 CarbonylContact C-O 3.59Å; A528-C577 WeakPolarHBondContact CA-O 3.15Å; A528-T602 VanDerWaalsContact C-OG1 3.31Å; A528-T602 WeakPolarHBondContact CB-OG1 3.07Å; A528-T602 PolarHBondContact O-OG1 2.98Å
529C90.3Very high86.7Confident0 Ų032.7 Ų32.70%017%0.166CC..EExtended strand (participates in β ladder)trans-146.1158.1176.762.50000112C577 R600 T602C529-C577 PolarHBondContact N-O 3.28Å; C529-C577 WeakPolarHBondContact O-CA 3.25Å; C529-C577 PolarHBondContact O-N 3.5Å; C529-R600 CarbonylContact C-O 3.56Å; C529-R600 WeakPolarHBondContact CA-O 2.92Å; C529-R600 WeakPolarHBondContact CB-O 3.14Å; C529-T602 VanDerWaalsContact C-CG2 3.46Å
530S91.3Very high86.7Confident25 Ų2533.2 Ų33.218%0.17517%0.168CC..EExtended strand (participates in β ladder)trans-97.3130.5164.262.30000108.2E575 W599 R600 T602S530-E575 CarbonylContact C-O 3.54Å; S530-E575 VanDerWaalsContact CA-O 3.29Å; S530-E575 WeakPolarHBondContact CA-O 3.42Å; S530-W599 CarbonylContact O-C 3.55Å; S530-W599 WeakPolarHBondContact O-CA 3.43Å; S530-R600 PolarHBondContact N-O 2.78Å; S530-R600 PolarHBondContact O-N 3.12Å; S530-R600 WeakPolarHBondContact OG-CB 3.36Å; S530-T602 VanDerWaalsContact N-CG2 3.3Å
531F93.3Very high86Confident2 Ų238.5 Ų38.51%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-105.6130.2174.1170.7-106.7000109.5W520 F522 I533 N574 E575 L597 Q598 W599W520-F531 AromaticContact CD1-CE1 3.75Å; W520-F531 AromaticContact CD1-CZ 3.59Å; W520-F531 HydrophobicContact CD2-CE1 4.47Å; W520-F531 HydrophobicContact CD2-CZ 4.15Å; W520-F531 AromaticContact CE2-CE1 3.85Å; W520-F531 AromaticContact CE2-CZ 3.99Å; W520-F531 HydrophobicContact CG-CE1 4.43Å; W520-F531 AromaticContact CG-CZ 3.93Å; W520-F531 HydrophobicContact CG-CZ 3.93Å; W520-F531 HydrophobicContact CZ2-CE1 4.44Å; W520-F531 AromaticContact NE1-CE1 3.31Å; W520-F531 VanDerWaalsContact NE1-CE1 3.31Å; W520-F531 AromaticContact NE1-CZ 3.59Å; F522-F531 HydrophobicContact CD1-CD2 4.44Å; F522-F531 HydrophobicContact CD1-CE2 4.42Å; F522-F531 HydrophobicContact CE1-CB 4.07Å; F522-F531 AromaticContact CE1-CD1 3.6Å; F522-F531 HydrophobicContact CE1-CD1 3.6Å; F522-F531 AromaticContact CE1-CD2 3.61Å; F522-F531 HydrophobicContact CE1-CD2 3.61Å; F522-F531 AromaticContact CE1-CE1 3.86Å; F522-F531 HydrophobicContact CE1-CE1 3.86Å; F522-F531 AromaticContact CE1-CE2 3.85Å; F522-F531 HydrophobicContact CE1-CE2 3.85Å; F522-F531 AromaticContact CE1-CG 3.46Å; F522-F531 HydrophobicContact CE1-CG 3.46Å; F522-F531 VanDerWaalsContact CE1-CG 3.46Å; F522-F531 AromaticContact CE1-CZ 3.96Å; F522-F531 HydrophobicContact CE1-CZ 3.96Å; F522-F531 HydrophobicContact CE2-CB 4.49Å; F522-F531 HydrophobicContact CZ-CB 3.55Å; F522-F531 AromaticContact CZ-CD1 3.86Å; F522-F531 HydrophobicContact CZ-CD1 3.86Å; F522-F531 AromaticContact CZ-CD2 3.95Å; F522-F531 HydrophobicContact CZ-CD2 3.95Å; F522-F531 AromaticContact CZ-CG 3.49Å; F522-F531 HydrophobicContact CZ-CG 3.49Å; F522-F531 VanDerWaalsContact CZ-CG 3.49Å; F531-I533 HydrophobicContact CE1-CD1 4.35Å; F531-I533 HydrophobicContact CE1-CG1 4.08Å; F531-I533 HydrophobicContact CZ-CD1 4.34Å; F531-I533 HydrophobicContact CZ-CG1 3.95Å; F531-N574 WeakPolarHBondContact O-CA 3.35Å; F531-E575 PolarHBondContact N-O 3.46Å; F531-E575 PolarHBondContact O-N 3.31Å; F531-L597 HydrophobicContact CE2-CB 4.09Å; F531-L597 HydrophobicContact CE2-CD2 3.85Å; F531-L597 HydrophobicContact CZ-CD2 3.54Å; F531-Q598 WeakPolarHBondContact CA-O 3.46Å; F531-W599 AromaticContact CD2-CD1 3.79Å; F531-W599 AromaticContact CD2-CD2 3.87Å; F531-W599 HydrophobicContact CD2-CD2 3.87Å; F531-W599 AromaticContact CD2-CE2 3.44Å; F531-W599 VanDerWaalsContact CD2-CE2 3.44Å; F531-W599 HydrophobicContact CD2-CG 4.11Å; F531-W599 AromaticContact CD2-CZ2 3.87Å; F531-W599 HydrophobicContact CD2-CZ2 3.87Å; F531-W599 AromaticContact CD2-NE1 3.35Å; F531-W599 HydrophobicContact CE2-CD2 4.31Å; F531-W599 AromaticContact CE2-CE2 3.72Å; F531-W599 HydrophobicContact CE2-CH2 4.12Å; F531-W599 AromaticContact CE2-CZ2 3.63Å; F531-W599 HydrophobicContact CE2-CZ2 3.63Å
532C92.2Very high85.2Confident10 Ų1041.2 Ų41.27%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-138.8156.7175.769.70000111.8S573 N574 Q598C532-S573 VanDerWaalsContact CA-O 3.24Å; C532-S573 WeakPolarHBondContact CA-O 3.33Å; C532-S573 WeakPolarHBondContact CB-O 3.45Å; C532-N574 HydrophobicContact CB-CB 4.16Å; C532-Q598 PolarHBondContact N-O 3.16Å; C532-Q598 PolarHBondContact O-N 2.86Å; C532-Q598 PolarHBondContact SG-OE1 2.65Å
533I92.1Very high83.3Confident1 Ų148.1 Ų48.11%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-110.7121.4173.8-55.4-179.2000107.7W520 F531 L572 S573 Y595 I596 L597W520-I533 HydrophobicContact CD2-CD1 4.12Å; W520-I533 HydrophobicContact CE3-CD1 3.86Å; W520-I533 HydrophobicContact CH2-CD1 3.07Å; W520-I533 HydrophobicContact CZ2-CD1 3.34Å; W520-I533 HydrophobicContact CZ3-CD1 3.35Å; F531-I533 HydrophobicContact CE1-CD1 4.35Å; F531-I533 HydrophobicContact CE1-CG1 4.08Å; F531-I533 HydrophobicContact CZ-CD1 4.34Å; F531-I533 HydrophobicContact CZ-CG1 3.95Å; I533-L572 HydrophobicContact CB-CB 4.23Å; I533-L572 HydrophobicContact CG2-CB 4.25Å; I533-L572 HydrophobicContact CG2-CD1 3.94Å; I533-L572 PolarHBondContact O-N 3.16Å; I533-S573 WeakPolarHBondContact CB-OG 3.44Å; I533-S573 WeakPolarHBondContact CD1-OG 3.19Å; I533-S573 VanDerWaalsContact CG1-OG 3.27Å; I533-S573 WeakPolarHBondContact CG1-OG 3.26Å; I533-S573 PolarHBondContact N-O 2.85Å; I533-Y595 HydrophobicContact CG2-CD1 4.45Å; I533-I596 WeakPolarHBondContact CA-O 3.37Å; I533-L597 HydrophobicContact CD1-CD2 4.3Å; I533-L597 HydrophobicContact CG1-CD2 4.12Å
534L91.8Very high81.1Confident4 Ų452.8 Ų52.82%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-107.8149.6175.4-53.2164.7000109.3L557 L565 L569 I570 V571 Y595 I596 Q598L534-L557 HydrophobicContact CD1-CD2 3.96Å; L534-L565 HydrophobicContact CD2-CD1 3.91Å; L534-L569 HydrophobicContact CB-CD2 4.24Å; L534-I570 CarbonylContact C-O 3.4Å; L534-I570 VanDerWaalsContact CA-O 3.32Å; L534-I570 WeakPolarHBondContact CA-O 3.5Å; L534-V571 HydrophobicContact CD2-CB 4.41Å; L534-V571 HydrophobicContact CD2-CG2 3.77Å; L534-Y595 CarbonylContact O-C 3.46Å; L534-Y595 WeakPolarHBondContact O-CA 3.49Å; L534-I596 HydrophobicContact CB-CB 4.18Å; L534-I596 PolarHBondContact N-O 2.93Å; L534-I596 PolarHBondContact O-N 2.82Å; L534-Q598 HydrophobicContact CD1-CB 4.33Å
535F92.3Very high78.4Confident4 Ų456.8 Ų56.82%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-129.2140173.9170.3-101.3000110.6E537 L569 I570 L572 N591 K592 Y595F535-E537 HydrophobicContact CE1-CG 4.01Å; F535-E537 HydrophobicContact CZ-CG 4.17Å; F535-L569 WeakPolarHBondContact O-CA 3.29Å; F535-I570 HydrophobicContact CD1-CD1 4.25Å; F535-I570 PolarHBondContact N-O 3.33Å; F535-I570 PolarHBondContact O-N 2.79Å; F535-L572 HydrophobicContact CB-CD1 3.79Å; F535-L572 HydrophobicContact CB-CD2 4.43Å; F535-L572 HydrophobicContact CB-CG 4.08Å; F535-N591 HydrophobicContact CE1-CB 3.91Å; F535-N591 HydrophobicContact CE2-CB 3.96Å; F535-N591 HydrophobicContact CZ-CB 3.38Å; F535-K592 WeakPolarHBondContact CZ-O 3.24Å; F535-Y595 HydrophobicContact CB-CD1 4.39Å; F535-Y595 HydrophobicContact CB-CE1 4.37Å; F535-Y595 HydrophobicContact CD2-CD1 4.1Å; F535-Y595 AromaticContact CD2-CD2 3.85Å; F535-Y595 HydrophobicContact CD2-CD2 3.85Å; F535-Y595 AromaticContact CD2-CE1 3.8Å; F535-Y595 HydrophobicContact CD2-CE1 3.8Å; F535-Y595 AromaticContact CD2-CE2 3.52Å; F535-Y595 HydrophobicContact CD2-CE2 3.52Å; F535-Y595 HydrophobicContact CD2-CG 4.12Å; F535-Y595 AromaticContact CD2-CZ 3.48Å; F535-Y595 VanDerWaalsContact CD2-CZ 3.48Å; F535-Y595 HydrophobicContact CE2-CD2 4.27Å; F535-Y595 AromaticContact CE2-CE2 3.66Å; F535-Y595 HydrophobicContact CE2-CE2 3.66Å; F535-Y595 AromaticContact CE2-CZ 3.82Å; F535-Y595 HydrophobicContact CG-CE1 4.35Å
536T90.1Very high76Confident4 Ų461 Ų613%0.02534%0.342CS..EExtended strand (participates in β ladder)trans-136.7146.4168.8-175.60000110.1R538 I540 L563 D568 L569 G593 T594T536-R538 HydrophobicContact CG2-CB 4.37Å; T536-R538 PolarHBondContact O-N 3.12Å; T536-R538 PolarHBondContact OG1-N 3.48Å; T536-I540 HydrophobicContact CG2-CD1 4.14Å; T536-L563 HydrophobicContact CG2-CD1 4.44Å; T536-D568 VanDerWaalsContact CB-O 3.22Å; T536-D568 WeakPolarHBondContact CB-O 3.35Å; T536-D568 PolarHBondContact OG1-O 3.14Å; T536-L569 HydrophobicContact CG2-CD2 4.25Å; T536-G593 CarbonylContact O-C 3.55Å; T536-G593 WeakPolarHBondContact O-CA 3.12Å; T536-T594 PolarHBondContact N-O 2.97Å; T536-T594 PolarHBondContact O-N 2.88Å
537E88.4Confident73.8Confident153 Ų15362.8 Ų62.872%0.71536%0.364SS*.SBendtrans-70.7-16174.9-63.4-174.6167.400112.3F535F535-E537 HydrophobicContact CE1-CG 4.01Å; F535-E537 HydrophobicContact CZ-CG 4.17Å
538R84.7Confident71.2Confident107 Ų10766 Ų6640%0.40438%0.383SS..SBendtrans-73.6131.9176.5-57.7-162.4-164.3165.34.7110.4T536 I540 T562 L563 D568 T594T536-R538 HydrophobicContact CG2-CB 4.37Å; T536-R538 PolarHBondContact O-N 3.12Å; T536-R538 PolarHBondContact OG1-N 3.48Å; R538-I540 PolarHBondContact O-N 3.12Å; R538-T562 PolarHBondContact NH1-OG1 2.82Å; R538-L563 HydrophobicContact CG-CD2 4.37Å; R538-D568 IonicContact CZ-OD1 3.68Å; R538-D568 IonicContact NE-OD1 3.92Å; R538-D568 IonicContact NH2-OD1 2.84Å; R538-D568 PolarHBondContact NH2-OD1 2.89Å; R538-T594 WeakPolarHBondContact O-CB 3.38Å; R538-T594 PolarHBondContact O-N 3.02Å; R538-T594 PolarHBondContact O-OG1 2.95Å
539I82.3Confident68.6Low111 Ų11169.9 Ų69.957%0.56941%0.408SS*.  trans-84.1106.6174-59.5175.4000108.4P510 I541P510-I539 HydrophobicContact CB-CG2 4.31Å; I539-I541 HydrophobicContact CG2-CG1 4.22Å
540I79.7Confident65.8Low22 Ų2273.9 Ų73.911%0.11344%0.441CS..  trans-98120.4176.5-50.4172.2000108.2F508 T536 R538 T542 L563 T594F508-I540 HydrophobicContact CD1-CB 4.36Å; F508-I540 HydrophobicContact CD1-CD1 4.11Å; F508-I540 HydrophobicContact CD1-CG2 4.16Å; F508-I540 HydrophobicContact CE1-CD1 4.02Å; F508-I540 HydrophobicContact CE1-CG2 4.46Å; T536-I540 HydrophobicContact CG2-CD1 4.14Å; R538-I540 PolarHBondContact O-N 3.12Å; I540-T542 HydrophobicContact CG2-CG2 4.28Å; I540-L563 HydrophobicContact CD1-CD1 3.56Å; I540-T594 HydrophobicContact CB-CG2 4.24Å; I540-T594 HydrophobicContact CD1-CG2 4.48Å; I540-T594 PolarHBondContact N-OG1 2.85Å
541I68.1Low62.8Low137 Ų13774.2 Ų74.270%0.70345%0.449SS*.  trans-108.8108.6174.3-55.1173.8000106.8I539I539-I541 HydrophobicContact CG2-CG1 4.22Å
542T63Low59.8Low68 Ų6880.3 Ų80.342%0.41749%0.492SS..  trans-90.9119.1175.846.80000110.2F508 I540 A544F508-T542 HydrophobicContact CB-CG2 4.36Å; F508-T542 HydrophobicContact CD2-CG2 3.64Å; F508-T542 HydrophobicContact CE2-CG2 4.13Å; F508-T542 HydrophobicContact CG-CG2 3.98Å; I540-T542 HydrophobicContact CG2-CG2 4.28Å; T542-A544 PolarHBondContact O-N 2.86Å
543D46.2Very low56.8Low144 Ų14483.2 Ų83.277%0.7752%0.523SS*.  trans-65.5119.5164.3-76.1-28.8000108.2S545D543-S545 PolarHBondContact O-N 2.74Å
544A36.3Very low54Low111 Ų11186.1 Ų86.192%0.91755%0.554SS**SBendtrans-69.773179.500000110.9T542T542-A544 PolarHBondContact O-N 2.86Å
545S29Very low51.6Low87 Ų8793.1 Ų93.161%0.60859%0.586SS**  trans-156.8116.7167.661.70000112D543D543-S545 PolarHBondContact O-N 2.74Å
546N30.2Very low49.2Very low139 Ų13994.9 Ų94.974%0.74360%0.599SS**  trans81.9114.2160.9-60-26.3000119S548N546-S548 PolarHBondContact O-N 3.17Å
547P36.9Very low47.4Very low139 Ų13994.8 Ų94.890%0.90360%0.598SS**  trans-8096.7164.231.8-27000108.6
548S30.6Very low45.8Very low93 Ų9391.5 Ų91.565%0.6559%0.585SS**  trans-114.6130.3178.3450000113N546N546-S548 PolarHBondContact O-N 3.17Å
549S31.6Very low44.4Very low106 Ų10689.1 Ų89.174%0.74159%0.588SS**  trans80.9106156.764.70000120
550A31.9Very low43.5Very low84 Ų8485.6 Ų85.669%0.69457%0.571SS**  trans-55.9138.3168.300000113.8Y503Y503-A550 HydrophobicContact CE1-CB 4.41Å; Y503-A550 WeakPolarHBondContact OH-CB 3.41Å
551G29Very low42.8Very low33 Ų3392.5 Ų92.534%0.3460%0.595SS.*  trans-166.3118.2170.300000111.5Y503 G553Y503-G551 PolarHBondContact OH-N 2.98Å; G551-G553 PolarHBondContact O-N 3.18Å
552S29.9Very low42.7Very low130 Ų13089.9 Ų89.991%0.90959%0.586SS**  trans-63.4117.9175.6-65.90000111.5
553G29.3Very low43.3Very low70 Ų7086.7 Ų86.772%0.72257%0.566SS**  trans178.2128.8172.900000110.6G551G551-G553 PolarHBondContact O-N 3.18Å
554G32.4Very low44.7Very low63 Ų6383.6 Ų83.665%0.64955%0.553SS**SBendtrans-61.5156.1-167.800000116.3S556G554-S556 PolarHBondContact O-N 2.97Å
555H41.3Very low46.6Very low151 Ų15182.1 Ų82.170%0.69953%0.529SS*.SBendtrans50.2-7.5159.7-60.8-73.6000121.4
556S41.7Very low48.8Very low41 Ų4181.4 Ų81.429%0.28754%0.535SS..  trans-82.3141.4175.7-110.70000111.8G554 R561G554-S556 PolarHBondContact O-N 2.97Å; S556-R561 VanDerWaalsContact OG-C 3.26Å; S556-R561 WeakPolarHBondContact OG-CA 3.47Å; S556-R561 PolarHBondContact OG-O 2.9Å
557L52.1Low51.1Low1 Ų180.3 Ų80.31%0.00553%0.533CS..  trans-54.2144.2174.4-68.7166.2000109.7E506 L534 A559 D560 L563 L569 I596E506-L557 VanDerWaalsContact CD-CD2 3.48Å; E506-L557 HydrophobicContact CG-CD2 4.4Å; E506-L557 WeakPolarHBondContact OE1-CD2 3.43Å; L534-L557 HydrophobicContact CD1-CD2 3.96Å; L557-A559 PolarHBondContact O-N 3.33Å; L557-D560 CarbonylContact O-C 3.59Å; L557-D560 PolarHBondContact O-N 2.85Å; L557-L563 HydrophobicContact CD1-CB 4.08Å; L557-L563 HydrophobicContact CD1-CD1 3.55Å; L557-L563 HydrophobicContact CD1-CG 4.45Å; L557-L569 HydrophobicContact CD1-CD1 3.66Å; L557-L569 HydrophobicContact CD1-CD2 3.88Å; L557-L569 HydrophobicContact CD1-CG 4.33Å; L557-L569 HydrophobicContact CD2-CD1 4.45Å; L557-L569 HydrophobicContact CG-CD1 3.88Å; L557-I596 HydrophobicContact CD1-CD1 3.45Å; L557-I596 VanDerWaalsContact CD1-CD1 3.45Å; L557-I596 HydrophobicContact CD2-CD1 3.99Å; L557-I596 HydrophobicContact CD2-CG2 4.43Å; L557-I596 HydrophobicContact CG-CD1 4.4Å
558L55.2Low53.3Low84 Ų8475.7 Ų75.744%0.4450%0.501SS..SBendtrans-62.7-34.6-178.3-118.3149.5000110.9Y503 P504 E506Y503-L558 HydrophobicContact CD1-CD1 4.18Å; Y503-L558 HydrophobicContact CD1-CD2 4.47Å; P504-L558 HydrophobicContact CG-CD1 4.12Å; P504-L558 WeakPolarHBondContact O-CD1 3.41Å; E506-L558 PolarHBondContact OE2-N 2.8Å; E506-L558 VanDerWaalsContact OE2-N 3.11Å
559A55.4Low55.8Low57 Ų5771.4 Ų71.447%0.47147%0.471SS..SBendtrans-86.8-29.5-178.500000114.7F508 L557F508-A559 HydrophobicContact CE1-CB 4.24Å; F508-A559 HydrophobicContact CE2-CB 3.62Å; F508-A559 HydrophobicContact CZ-CB 3.37Å; L557-A559 PolarHBondContact O-N 3.33Å
560D63.9Low58.5Low38 Ų3870.8 Ų70.820%0.20346%0.458CS..  trans-141.698179.7-173.2-6000111.4L557 T562 L563L557-D560 CarbonylContact O-C 3.59Å; L557-D560 PolarHBondContact O-N 2.85Å; D560-T562 PolarHBondContact O-N 2.67Å; D560-T562 VanDerWaalsContact O-N 3.15Å; D560-T562 VanDerWaalsContact OD1-CB 3.3Å; D560-T562 WeakPolarHBondContact OD1-CB 3.36Å; D560-T562 WeakPolarHBondContact OD1-CG2 3.33Å; D560-T562 PolarHBondContact OD1-N 3.43Å; D560-T562 PolarHBondContact OD1-OG1 3.12Å; D560-T562 PolarHBondContact OD2-OG1 3.34Å; D560-L563 HydrophobicContact CB-CD1 3.92Å; D560-L563 HydrophobicContact CB-CG 4.34Å; D560-L563 PolarHBondContact O-N 3.39Å
561R65.1Low61.1Low166 Ų16670.4 Ų70.463%0.62645%0.447SS*.THydrogen-bonded Turntrans-71-3.4-179.4-64.9-174.1178.7-179.71.2114.1S556S556-R561 VanDerWaalsContact OG-C 3.26Å; S556-R561 WeakPolarHBondContact OG-CA 3.47Å; S556-R561 PolarHBondContact OG-O 2.9Å
562T66.7Low63.7Low83 Ų8372 Ų7251%0.50945%0.447SS..THydrogen-bonded Turntrans-86.1-10.6178.872.70000113.4R538 D560R538-T562 PolarHBondContact NH1-OG1 2.82Å; D560-T562 PolarHBondContact O-N 2.67Å; D560-T562 VanDerWaalsContact O-N 3.15Å; D560-T562 VanDerWaalsContact OD1-CB 3.3Å; D560-T562 WeakPolarHBondContact OD1-CB 3.36Å; D560-T562 WeakPolarHBondContact OD1-CG2 3.33Å; D560-T562 PolarHBondContact OD1-N 3.43Å; D560-T562 PolarHBondContact OD1-OG1 3.12Å; D560-T562 PolarHBondContact OD2-OG1 3.34Å
563L75Confident66.3Low0 Ų067.6 Ų67.60%042%0.416CS..  trans-91.5123.3-175.8-68.3171.5000111.4T536 R538 I540 L557 D560 D568 L569T536-L563 HydrophobicContact CG2-CD1 4.44Å; R538-L563 HydrophobicContact CG-CD2 4.37Å; I540-L563 HydrophobicContact CD1-CD1 3.56Å; L557-L563 HydrophobicContact CD1-CB 4.08Å; L557-L563 HydrophobicContact CD1-CD1 3.55Å; L557-L563 HydrophobicContact CD1-CG 4.45Å; D560-L563 HydrophobicContact CB-CD1 3.92Å; D560-L563 HydrophobicContact CB-CG 4.34Å; D560-L563 PolarHBondContact O-N 3.39Å; L563-D568 HydrophobicContact CB-CB 4.42Å; L563-D568 HydrophobicContact CD2-CB 3.49Å; L563-D568 VanDerWaalsContact CD2-CB 3.49Å; L563-L569 HydrophobicContact CB-CD1 3.81Å; L563-L569 HydrophobicContact CB-CG 4.11Å
564T76Confident68.9Low79 Ų7969.6 Ų69.649%0.48541%0.41SS..  trans-106.2130.9-178.6-44.50000111.6G566 V567 D568 L569T564-G566 PolarHBondContact O-N 2.71Å; T564-V567 HydrophobicContact CG2-CG2 4.45Å; T564-V567 PolarHBondContact O-N 3.45Å; T564-V567 VanDerWaalsContact O-N 3.16Å; T564-D568 PolarHBondContact N-OD2 2.54Å; T564-D568 PolarHBondContact O-N 3.3Å; T564-L569 PolarHBondContact O-N 2.78Å
565L76.5Confident71.4Confident81 Ų8171.3 Ų71.342%0.42440%0.402SS..BIsolated β-bridgetrans-60.7130176.7-166.970.6000111.7L534 V567 L569 V571L534-L565 HydrophobicContact CD2-CD1 3.91Å; L565-V567 PolarHBondContact O-N 2.76Å; L565-L569 HydrophobicContact CD1-CB 4.08Å; L565-V571 HydrophobicContact CD1-CG2 3.79Å
566G74.7Confident73.6Confident71 Ų7169.4 Ų69.473%0.73239%0.393SS*.THydrogen-bonded Turntrans82.9-9.3-177.900000114.9T564 L569T564-G566 PolarHBondContact O-N 2.71Å; G566-L569 PolarHBondContact N-O 2.73Å
567V78Confident75.7Confident116 Ų11667.5 Ų67.570%0.70338%0.38SS*.THydrogen-bonded Turntrans-110.6-63.4173.9-176.10000109.9T564 L565T564-V567 HydrophobicContact CG2-CG2 4.45Å; T564-V567 PolarHBondContact O-N 3.45Å; T564-V567 VanDerWaalsContact O-N 3.16Å; L565-V567 PolarHBondContact O-N 2.76Å
568D82.2Confident77.3Confident42 Ų4271.5 Ų71.523%0.22540%0.401CS..THydrogen-bonded Turntrans-97.2-20.6179-52.7-83.5000112.9T536 R538 L563 T564T536-D568 VanDerWaalsContact CB-O 3.22Å; T536-D568 WeakPolarHBondContact CB-O 3.35Å; T536-D568 PolarHBondContact OG1-O 3.14Å; R538-D568 IonicContact CZ-OD1 3.68Å; R538-D568 IonicContact NE-OD1 3.92Å; R538-D568 IonicContact NH2-OD1 2.84Å; R538-D568 PolarHBondContact NH2-OD1 2.89Å; L563-D568 HydrophobicContact CB-CB 4.42Å; L563-D568 HydrophobicContact CD2-CB 3.49Å; L563-D568 VanDerWaalsContact CD2-CB 3.49Å; T564-D568 PolarHBondContact N-OD2 2.54Å; T564-D568 PolarHBondContact O-N 3.3Å
569L84.9Confident78.4Confident4 Ų473.1 Ų73.12%0.02141%0.406CS..BIsolated β-bridgetrans-119.2127.8-175.7-70.6161.9000111.6L534 F535 T536 L557 L563 T564 L565 G566 I596L534-L569 HydrophobicContact CB-CD2 4.24Å; F535-L569 WeakPolarHBondContact O-CA 3.29Å; T536-L569 HydrophobicContact CG2-CD2 4.25Å; L557-L569 HydrophobicContact CD1-CD1 3.66Å; L557-L569 HydrophobicContact CD1-CD2 3.88Å; L557-L569 HydrophobicContact CD1-CG 4.33Å; L557-L569 HydrophobicContact CD2-CD1 4.45Å; L557-L569 HydrophobicContact CG-CD1 3.88Å; L563-L569 HydrophobicContact CB-CD1 3.81Å; L563-L569 HydrophobicContact CB-CG 4.11Å; T564-L569 PolarHBondContact O-N 2.78Å; L565-L569 HydrophobicContact CD1-CB 4.08Å; G566-L569 PolarHBondContact N-O 2.73Å; L569-I596 HydrophobicContact CD2-CD1 3.9Å
570I86.5Confident79.1Confident93 Ų9370.7 Ų70.748%0.47739%0.387SS..EExtended strand (participates in β ladder)trans-107.2129.2177.5-53.9178000108.7L534 F535 L572L534-I570 CarbonylContact C-O 3.4Å; L534-I570 VanDerWaalsContact CA-O 3.32Å; L534-I570 WeakPolarHBondContact CA-O 3.5Å; F535-I570 HydrophobicContact CD1-CD1 4.25Å; F535-I570 PolarHBondContact N-O 3.33Å; F535-I570 PolarHBondContact O-N 2.79Å; I570-L572 HydrophobicContact CG2-CD2 4.33Å
571V86.6Confident79.8Confident75 Ų7572 Ų7246%0.45539%0.393SS..EExtended strand (participates in β ladder)trans-82.1119.2172.9-174.50000108.7L534 L565 N574L534-V571 HydrophobicContact CD2-CB 4.41Å; L534-V571 HydrophobicContact CD2-CG2 3.77Å; L565-V571 HydrophobicContact CD1-CG2 3.79Å; V571-N574 HydrophobicContact CG1-CB 4.34Å
572L85Confident80.3Confident67 Ų6765 Ų6535%0.35137%0.37SS..EExtended strand (participates in β ladder)trans-93.1-34.9179.1-62.3179.9000112.4I533 F535 I570 Y595I533-L572 HydrophobicContact CB-CB 4.23Å; I533-L572 HydrophobicContact CG2-CB 4.25Å; I533-L572 HydrophobicContact CG2-CD1 3.94Å; I533-L572 PolarHBondContact O-N 3.16Å; F535-L572 HydrophobicContact CB-CD1 3.79Å; F535-L572 HydrophobicContact CB-CD2 4.43Å; F535-L572 HydrophobicContact CB-CG 4.08Å; I570-L572 HydrophobicContact CG2-CD2 4.33Å; L572-Y595 HydrophobicContact CD1-CD1 3.7Å; L572-Y595 HydrophobicContact CD1-CE1 3.54Å
573S83.2Confident80.9Confident37 Ų3761.9 Ų61.926%0.25935%0.351SS..EExtended strand (participates in β ladder)trans-154.915517657.70000109.8C532 I533C532-S573 VanDerWaalsContact CA-O 3.24Å; C532-S573 WeakPolarHBondContact CA-O 3.33Å; C532-S573 WeakPolarHBondContact CB-O 3.45Å; I533-S573 WeakPolarHBondContact CB-OG 3.44Å; I533-S573 WeakPolarHBondContact CD1-OG 3.19Å; I533-S573 VanDerWaalsContact CG1-OG 3.27Å; I533-S573 WeakPolarHBondContact CG1-OG 3.26Å; I533-S573 PolarHBondContact N-O 2.85Å
574N84.6Confident81.1Confident112 Ų11263.3 Ų63.360%0.59936%0.358SS*.EExtended strand (participates in β ladder)trans-151.2122.6175.5-176.829.1000108.9F531 C532 V571F531-N574 WeakPolarHBondContact O-CA 3.35Å; C532-N574 HydrophobicContact CB-CB 4.16Å; V571-N574 HydrophobicContact CG1-CB 4.34Å
575E84.2Confident81.1Confident99 Ų9960 Ų6046%0.46334%0.34SS..EExtended strand (participates in β ladder)trans-133144.9-175.6-65.2-179.5177.800109.6S530 F531S530-E575 CarbonylContact C-O 3.54Å; S530-E575 VanDerWaalsContact CA-O 3.29Å; S530-E575 WeakPolarHBondContact CA-O 3.42Å; F531-E575 PolarHBondContact N-O 3.46Å; F531-E575 PolarHBondContact O-N 3.31Å
576H87.9Confident81.3Confident112 Ų11258.3 Ų58.352%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-93136.1171.7-173.178.7000108.9D578 T602H576-D578 IonicContact CD2-OD2 3.45Å; H576-D578 IonicContact NE2-OD1 3.69Å; H576-D578 PolarHBondContact NE2-OD1 3.48Å; H576-T602 WeakPolarHBondContact CE1-CG2 3.28Å; H576-T602 WeakPolarHBondContact ND1-CG2 3.16Å
577C86.6Confident81.6Confident1 Ų157.4 Ų57.41%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-132.5122.6-176.4-47.30000109.9F522 V524 A528 C529 D581F522-C577 HydrophobicContact CE2-CB 4.46Å; V524-C577 HydrophobicContact CG2-CB 3.83Å; A528-C577 CarbonylContact C-O 3.59Å; A528-C577 WeakPolarHBondContact CA-O 3.15Å; C529-C577 PolarHBondContact N-O 3.28Å; C529-C577 WeakPolarHBondContact O-CA 3.25Å; C529-C577 PolarHBondContact O-N 3.5Å; C577-D581 WeakPolarHBondContact CA-OD2 3.1Å; C577-D581 HydrophobicContact CB-CB 4.33Å
578D84.2Confident81.8Confident84 Ų8454.2 Ų54.245%0.44929%0.292SS..  trans-91.4170.3176.9-75.1-50.1000111.9V524 H576 G580 D581V524-D578 WeakPolarHBondContact CB-O 3.23Å; V524-D578 WeakPolarHBondContact CG1-O 3.04Å; H576-D578 IonicContact CD2-OD2 3.45Å; H576-D578 IonicContact NE2-OD1 3.69Å; H576-D578 PolarHBondContact NE2-OD1 3.48Å; D578-G580 PolarHBondContact O-N 3.41Å; D578-D581 PolarHBondContact N-OD2 2.75Å; D578-D581 WeakPolarHBondContact O-CB 3.42Å; D578-D581 PolarHBondContact O-N 3.41Å; D578-D581 VanDerWaalsContact O-N 3.14Å
579E80.1Confident82Confident119 Ų11952.2 Ų52.256%0.55628%0.281SS*.THydrogen-bonded Turntrans-60.2126.8175.4-176.4166.4161.500110G527G527-E579 PolarHBondContact N-OE2 3.16Å; G527-E579 VanDerWaalsContact O-CA 3.28Å; G527-E579 WeakPolarHBondContact O-CA 3.36Å; G527-E579 WeakPolarHBondContact O-CB 3.48Å; G527-E579 PolarHBondContact O-N 3.14Å; G527-E579 VanDerWaalsContact O-N 3.16Å
580G69.3Low82Confident6 Ų657 Ų576%0.06231%0.307CS..THydrogen-bonded Turntrans98.8-13.3-177.100000115.2E475 V524 D578 S582E475-G580 WeakPolarHBondContact OE2-CA 3.47Å; V524-G580 PolarHBondContact O-N 3.34Å; D578-G580 PolarHBondContact O-N 3.41Å; G580-S582 PolarHBondContact O-N 3.1Å
581D78Confident82.1Confident64 Ų6456.6 Ų56.634%0.34231%0.306SS..  trans-66135.6-179.1-76.2-12.6000111.7D523 V524 C577 D578 V583D523-D581 WeakPolarHBondContact CA-O 3.4Å; V524-D581 HydrophobicContact CG2-CB 4.43Å; V524-D581 PolarHBondContact N-O 3.45Å; C577-D581 WeakPolarHBondContact CA-OD2 3.1Å; C577-D581 HydrophobicContact CB-CB 4.33Å; D578-D581 PolarHBondContact N-OD2 2.75Å; D578-D581 WeakPolarHBondContact O-CB 3.42Å; D578-D581 PolarHBondContact O-N 3.41Å; D578-D581 VanDerWaalsContact O-N 3.14Å; D581-V583 HydrophobicContact CB-CG2 4.46Å
582S76.2Confident82.2Confident20 Ų2058.7 Ų58.714%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-112113.2172.2-155.30000108.5K327 F522 D523 G580K327-S582 VanDerWaalsContact CE-OG 3.26Å; K327-S582 WeakPolarHBondContact CE-OG 3.31Å; K327-S582 PolarHBondContact NZ-OG 3.11Å; F522-S582 WeakPolarHBondContact O-CA 3.19Å; D523-S582 WeakPolarHBondContact OD1-CB 3.05Å; D523-S582 PolarHBondContact OD1-OG 3.22Å; G580-S582 PolarHBondContact O-N 3.1Å
583V79.2Confident82.5Confident18 Ų1855.5 Ų55.511%0.10929%0.292CS..EExtended strand (participates in β ladder)trans-115.6122-173.7-179.20000109D521 F522 D581D521-V583 WeakPolarHBondContact CA-O 3.46Å; F522-V583 HydrophobicContact CD1-CB 4.09Å; F522-V583 HydrophobicContact CD1-CG1 4.45Å; F522-V583 HydrophobicContact CD2-CB 4.32Å; F522-V583 HydrophobicContact CE1-CB 3.54Å; F522-V583 HydrophobicContact CE1-CG1 3.63Å; F522-V583 HydrophobicContact CE1-CG2 4.33Å; F522-V583 HydrophobicContact CE2-CB 3.8Å; F522-V583 HydrophobicContact CE2-CG2 3.82Å; F522-V583 HydrophobicContact CG-CB 4.45Å; F522-V583 HydrophobicContact CZ-CB 3.38Å; F522-V583 HydrophobicContact CZ-CG1 3.71Å; F522-V583 HydrophobicContact CZ-CG2 3.65Å; F522-V583 PolarHBondContact N-O 3.44Å; F522-V583 PolarHBondContact O-N 2.66Å; D581-V583 HydrophobicContact CB-CG2 4.46Å
584Q78.2Confident83Confident29 Ų2953.8 Ų53.814%0.13628%0.28CS..EExtended strand (participates in β ladder)trans-126.9135.4177.5-58-178.2-6000109.6K327 R379 W520 D521K327-Q584 HydrophobicContact CD-CG 4.37Å; R379-Q584 HydrophobicContact CB-CB 3.63Å; R379-Q584 HydrophobicContact CB-CG 4.38Å; W520-Q584 WeakPolarHBondContact O-CA 3.27Å; D521-Q584 HydrophobicContact CB-CG 4.25Å; D521-Q584 PolarHBondContact OD2-NE2 3.28Å
585G77Confident83.4Confident11 Ų1148.6 Ų48.611%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-156.1168.9179.100000113.7W520W520-G585 VanDerWaalsContact CE2-CA 3.47Å; W520-G585 VanDerWaalsContact CZ2-CA 3.49Å; W520-G585 PolarHBondContact N-O 2.92Å; W520-G585 PolarHBondContact O-N 3.44Å
586S81Confident83.8Confident45 Ų4543.9 Ų43.932%0.31523%0.23SC..EExtended strand (participates in β ladder)trans-144.1145.6174.362.50000110.4S377 L518S377-S586 WeakPolarHBondContact CB-OG 3.21Å; L518-S586 CarbonylContact O-C 3.52Å; L518-S586 WeakPolarHBondContact O-CA 3.43Å
587H81.8Confident84.1Confident51 Ų5138.5 Ų38.524%0.23621%0.205CC..EExtended strand (participates in β ladder)trans-131.7128.8177.1-171.979.6000109.9L518 W520 C589 Y595L518-H587 PolarHBondContact N-O 3.42Å; L518-H587 PolarHBondContact O-N 3.4Å; W520-H587 HydrophobicContact CH2-CB 3.94Å; W520-H587 HydrophobicContact CZ3-CB 3.73Å; H587-C589 PolarHBondContact O-N 2.89Å; H587-Y595 AromaticContact CD2-CE1 3.54Å; H587-Y595 AromaticContact NE2-CE1 3.72Å
588V81.6Confident84.4Confident49 Ų4938.5 Ų38.530%0.29721%0.205SC..EExtended strand (participates in β ladder)trans-80.3113.6172.2-178.20000107.9V517 N590V517-V588 HydrophobicContact CG2-CG2 4.38Å; V588-N590 PolarHBondContact O-N 2.88Å
589C86.4Confident84.8Confident0 Ų034.6 Ų34.60%018%0.184CC..  trans-75.591.9-175.7-58.60000110.3V511 G515 S516 H587 N591 Y595V511-C589 HydrophobicContact CG1-CB 3.82Å; V511-C589 HydrophobicContact CG2-CB 4.4Å; G515-C589 PolarHBondContact N-O 2.89Å; S516-C589 WeakPolarHBondContact O-CB 3.48Å; S516-C589 PolarHBondContact O-N 2.8Å; H587-C589 PolarHBondContact O-N 2.89Å; C589-N591 VanDerWaalsContact C-N 3.3Å; C589-N591 PolarHBondContact O-N 3.43Å; C589-Y595 WeakPolarHBondContact CA-OH 3.29Å; C589-Y595 HydrophobicContact CB-CE1 4.43Å; C589-Y595 HydrophobicContact CB-CE2 3.74Å
590N85Confident85.2Confident106 Ų10632.5 Ų32.557%0.56717%0.171SC*.  trans-72.3-26.3-178.5-65.3-39.9000112.9T514 V588T514-N590 VanDerWaalsContact CG2-O 3.3Å; T514-N590 WeakPolarHBondContact CG2-O 3.48Å; V588-N590 PolarHBondContact O-N 2.88Å
591N87.7Confident85.9Confident83 Ų8333.6 Ų33.644%0.44418%0.177SC..SBendtrans-117.5146.6-175.4-59.9-25.3000111.2F535 C589 Y595F535-N591 HydrophobicContact CE1-CB 3.91Å; F535-N591 HydrophobicContact CE2-CB 3.96Å; F535-N591 HydrophobicContact CZ-CB 3.38Å; C589-N591 VanDerWaalsContact C-N 3.3Å; C589-N591 PolarHBondContact O-N 3.43Å; N591-Y595 PolarHBondContact N-OH 2.83Å; N591-Y595 WeakPolarHBondContact O-CE2 3.16Å; N591-Y595 PolarHBondContact O-OH 3.07Å; N591-Y595 VanDerWaalsContact O-OH 3.08Å
592K89.4Confident85.7Confident120 Ų12032.6 Ų32.652%0.52217%0.174SC..SBendtrans-77.8142171.1-55.2-172.8174.3-162.60109.8A512 T514 F535A512-K592 WeakPolarHBondContact O-CD 3.43Å; A512-K592 WeakPolarHBondContact O-CE 3.23Å; A512-K592 WeakPolarHBondContact O-CG 3.35Å; A512-K592 PolarHBondContact O-NZ 3.02Å; T514-K592 HydrophobicContact CG2-CD 4.4Å; T514-K592 HydrophobicContact CG2-CG 3.57Å; F535-K592 WeakPolarHBondContact CZ-O 3.24Å
593G91.7Very high85.1Confident0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans147.5-155.5-176.100000111.2V511 T536V511-G593 PolarHBondContact N-O 3.36Å; V511-G593 PolarHBondContact O-N 3.03Å; V511-G593 VanDerWaalsContact O-N 3.12Å; T536-G593 CarbonylContact O-C 3.55Å; T536-G593 WeakPolarHBondContact O-CA 3.12Å
594T92.3Very high83.6Confident0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-114.1127.1176.9-65.70000110.7F508 T536 R538 I540 I596F508-T594 HydrophobicContact CB-CG2 4.2Å; F508-T594 HydrophobicContact CD1-CG2 4.05Å; T536-T594 PolarHBondContact N-O 2.97Å; T536-T594 PolarHBondContact O-N 2.88Å; R538-T594 WeakPolarHBondContact O-CB 3.38Å; R538-T594 PolarHBondContact O-N 3.02Å; R538-T594 PolarHBondContact O-OG1 2.95Å; I540-T594 HydrophobicContact CB-CG2 4.24Å; I540-T594 HydrophobicContact CD1-CG2 4.48Å; I540-T594 PolarHBondContact N-OG1 2.85Å; T594-I596 HydrophobicContact CG2-CG1 4.08Å
595Y93Very high82Confident3 Ų346.1 Ų46.11%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-95.2137.2169.2-67.3-106.4000108.2V509 V511 L518 I533 L534 F535 L572 H587 C589 N591V509-Y595 PolarHBondContact N-O 2.78Å; V509-Y595 PolarHBondContact O-N 2.74Å; V511-Y595 HydrophobicContact CB-CD2 4.08Å; V511-Y595 HydrophobicContact CB-CE2 4.05Å; V511-Y595 HydrophobicContact CG2-CD2 3.48Å; V511-Y595 VanDerWaalsContact CG2-CD2 3.48Å; V511-Y595 HydrophobicContact CG2-CE2 3.84Å; V511-Y595 HydrophobicContact CG2-CG 4.48Å; L518-Y595 HydrophobicContact CD2-CG 4.28Å; I533-Y595 HydrophobicContact CG2-CD1 4.45Å; L534-Y595 CarbonylContact O-C 3.46Å; L534-Y595 WeakPolarHBondContact O-CA 3.49Å; F535-Y595 HydrophobicContact CB-CD1 4.39Å; F535-Y595 HydrophobicContact CB-CE1 4.37Å; F535-Y595 HydrophobicContact CD2-CD1 4.1Å; F535-Y595 AromaticContact CD2-CD2 3.85Å; F535-Y595 HydrophobicContact CD2-CD2 3.85Å; F535-Y595 AromaticContact CD2-CE1 3.8Å; F535-Y595 HydrophobicContact CD2-CE1 3.8Å; F535-Y595 AromaticContact CD2-CE2 3.52Å; F535-Y595 HydrophobicContact CD2-CE2 3.52Å; F535-Y595 HydrophobicContact CD2-CG 4.12Å; F535-Y595 AromaticContact CD2-CZ 3.48Å; F535-Y595 VanDerWaalsContact CD2-CZ 3.48Å; F535-Y595 HydrophobicContact CE2-CD2 4.27Å; F535-Y595 AromaticContact CE2-CE2 3.66Å; F535-Y595 HydrophobicContact CE2-CE2 3.66Å; F535-Y595 AromaticContact CE2-CZ 3.82Å; F535-Y595 HydrophobicContact CG-CE1 4.35Å; L572-Y595 HydrophobicContact CD1-CD1 3.7Å; L572-Y595 HydrophobicContact CD1-CE1 3.54Å; H587-Y595 AromaticContact CD2-CE1 3.54Å; H587-Y595 AromaticContact NE2-CE1 3.72Å; C589-Y595 WeakPolarHBondContact CA-OH 3.29Å; C589-Y595 HydrophobicContact CB-CE1 4.43Å; C589-Y595 HydrophobicContact CB-CE2 3.74Å; N591-Y595 PolarHBondContact N-OH 2.83Å; N591-Y595 WeakPolarHBondContact O-CE2 3.16Å; N591-Y595 PolarHBondContact O-OH 3.07Å; N591-Y595 VanDerWaalsContact O-OH 3.08Å
596I92.7Very high80.3Confident0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-124.2117.6-174.8-48.2170.4000107.8E506 A507 F508 I533 L534 L557 L569 T594E506-I596 HydrophobicContact CB-CG2 4.03Å; E506-I596 HydrophobicContact CG-CG2 4.14Å; A507-I596 WeakPolarHBondContact O-CA 3.38Å; F508-I596 HydrophobicContact CD1-CD1 4.06Å; F508-I596 HydrophobicContact CD1-CG1 3.8Å; F508-I596 HydrophobicContact CD1-CG2 4.29Å; F508-I596 HydrophobicContact CE1-CD1 3.71Å; F508-I596 HydrophobicContact CE1-CG1 3.94Å; F508-I596 HydrophobicContact CE1-CG2 4.09Å; F508-I596 HydrophobicContact CZ-CG2 4.38Å; I533-I596 WeakPolarHBondContact CA-O 3.37Å; L534-I596 HydrophobicContact CB-CB 4.18Å; L534-I596 PolarHBondContact N-O 2.93Å; L534-I596 PolarHBondContact O-N 2.82Å; L557-I596 HydrophobicContact CD1-CD1 3.45Å; L557-I596 VanDerWaalsContact CD1-CD1 3.45Å; L557-I596 HydrophobicContact CD2-CD1 3.99Å; L557-I596 HydrophobicContact CD2-CG2 4.43Å; L557-I596 HydrophobicContact CG-CD1 4.4Å; L569-I596 HydrophobicContact CD2-CD1 3.9Å; T594-I596 HydrophobicContact CG2-CG1 4.08Å
597L93.7Very high78.2Confident0 Ų054.5 Ų54.50%030%0.301CS..EExtended strand (participates in β ladder)trans-85.8112.5170.6-62.8162.7000107.1E506 A507 V509 L518 W520 F531 I533 W599 H628E506-L597 WeakPolarHBondContact CA-O 3.38Å; A507-L597 HydrophobicContact CB-CB 4.27Å; A507-L597 PolarHBondContact N-O 3.3Å; A507-L597 PolarHBondContact O-N 2.97Å; V509-L597 HydrophobicContact CG2-CD1 4.37Å; L518-L597 HydrophobicContact CD2-CD2 4.47Å; W520-L597 HydrophobicContact CB-CD1 4.28Å; W520-L597 HydrophobicContact CB-CD2 4.05Å; W520-L597 HydrophobicContact CD2-CD2 3.99Å; W520-L597 HydrophobicContact CE3-CD2 3.98Å; W520-L597 HydrophobicContact CG-CD2 4.02Å; F531-L597 HydrophobicContact CE2-CB 4.09Å; F531-L597 HydrophobicContact CE2-CD2 3.85Å; F531-L597 HydrophobicContact CZ-CD2 3.54Å; I533-L597 HydrophobicContact CD1-CD2 4.3Å; I533-L597 HydrophobicContact CG1-CD2 4.12Å; L597-W599 HydrophobicContact CB-CH2 3.75Å; L597-W599 HydrophobicContact CB-CZ3 3.73Å; L597-W599 WeakPolarHBondContact O-CZ3 3.15Å; L597-H628 HydrophobicContact CD1-CB 3.51Å
598Q92.9Very high76Confident1 Ų155 Ų551%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-121129.8-173.9-175.6-176.175.600111.3P504 F505 E506 F531 C532 L534 R600P504-Q598 HydrophobicContact CB-CG 3.77Å; F505-Q598 CarbonylContact O-C 3.51Å; F505-Q598 WeakPolarHBondContact O-CA 3.29Å; E506-Q598 HydrophobicContact CG-CB 4.21Å; E506-Q598 HydrophobicContact CG-CG 3.81Å; E506-Q598 PolarHBondContact OE1-NE2 3.29Å; F531-Q598 WeakPolarHBondContact CA-O 3.46Å; C532-Q598 PolarHBondContact N-O 3.16Å; C532-Q598 PolarHBondContact O-N 2.86Å; C532-Q598 PolarHBondContact SG-OE1 2.65Å; L534-Q598 HydrophobicContact CD1-CB 4.33Å; Q598-R600 VanDerWaalsContact CD-NE 3.33Å; Q598-R600 HydrophobicContact CG-CG 4.32Å; Q598-R600 VanDerWaalsContact NE2-NH2 3.2Å; Q598-R600 VanDerWaalsContact OE1-NH2 3.11Å
599W93.4Very high73.8Confident2 Ų261.6 Ų61.61%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-112.1129.5171.5-62.8-99.4000109.7V499 P504 F505 A507 F522 S530 F531 L597 Y626V499-W599 WeakPolarHBondContact CG1-O 3.33Å; V499-W599 HydrophobicContact CG2-CB 3.6Å; P504-W599 CarbonylContact C-O 3.57Å; P504-W599 VanDerWaalsContact CA-O 3.22Å; P504-W599 WeakPolarHBondContact CA-O 3.25Å; F505-W599 AromaticContact CD1-CE3 3.62Å; F505-W599 HydrophobicContact CD1-CE3 3.62Å; F505-W599 AromaticContact CD1-CZ3 3.84Å; F505-W599 HydrophobicContact CD1-CZ3 3.84Å; F505-W599 HydrophobicContact CE1-CE3 4.32Å; F505-W599 HydrophobicContact CE1-CZ3 4.06Å; F505-W599 PolarHBondContact N-O 2.85Å; F505-W599 PolarHBondContact O-N 2.96Å; A507-W599 HydrophobicContact CB-CZ3 4.3Å; F522-W599 HydrophobicContact CB-CZ2 4.28Å; F522-W599 AromaticContact CD1-CE2 3.96Å; F522-W599 AromaticContact CD1-CZ2 3.72Å; F522-W599 HydrophobicContact CD1-CZ2 3.72Å; F522-W599 AromaticContact CD1-NE1 3.57Å; F522-W599 AromaticContact CD2-NE1 3.5Å; F522-W599 HydrophobicContact CE1-CZ2 4.22Å; F522-W599 AromaticContact CE1-NE1 3.51Å; F522-W599 AromaticContact CE2-NE1 3.44Å; F522-W599 HydrophobicContact CG-CZ2 4.04Å; F522-W599 AromaticContact CG-NE1 3.56Å; F522-W599 AromaticContact CZ-NE1 3.44Å; S530-W599 CarbonylContact O-C 3.55Å; S530-W599 WeakPolarHBondContact O-CA 3.43Å; F531-W599 AromaticContact CD2-CD1 3.79Å; F531-W599 AromaticContact CD2-CD2 3.87Å; F531-W599 HydrophobicContact CD2-CD2 3.87Å; F531-W599 AromaticContact CD2-CE2 3.44Å; F531-W599 VanDerWaalsContact CD2-CE2 3.44Å; F531-W599 HydrophobicContact CD2-CG 4.11Å; F531-W599 AromaticContact CD2-CZ2 3.87Å; F531-W599 HydrophobicContact CD2-CZ2 3.87Å; F531-W599 AromaticContact CD2-NE1 3.35Å; F531-W599 HydrophobicContact CE2-CD2 4.31Å; F531-W599 AromaticContact CE2-CE2 3.72Å; F531-W599 HydrophobicContact CE2-CH2 4.12Å; F531-W599 AromaticContact CE2-CZ2 3.63Å; F531-W599 HydrophobicContact CE2-CZ2 3.63Å; L597-W599 HydrophobicContact CB-CH2 3.75Å; L597-W599 HydrophobicContact CB-CZ3 3.73Å; L597-W599 WeakPolarHBondContact O-CZ3 3.15Å; W599-Y626 AromaticContact CH2-CD2 3.7Å; W599-Y626 HydrophobicContact CH2-CD2 3.7Å; W599-Y626 HydrophobicContact CH2-CE2 4.37Å; W599-Y626 AromaticContact CH2-CG 3.96Å; W599-Y626 HydrophobicContact CH2-CG 3.96Å; W599-Y626 HydrophobicContact CZ2-CD2 4.38Å; W599-Y626 HydrophobicContact CZ2-CG 4.26Å; W599-Y626 HydrophobicContact CZ3-CD2 4.36Å
600R88.7Confident71.4Confident75 Ų7570.6 Ų70.628%0.28340%0.395SS..EExtended strand (participates in β ladder)trans-124.7141.4178.1-77.3175.6177.1-179.14.8110.6P504 C529 S530 Q598P504-R600 HydrophobicContact CB-CG 3.7Å; P504-R600 HydrophobicContact CG-CG 4.46Å; C529-R600 CarbonylContact C-O 3.56Å; C529-R600 WeakPolarHBondContact CA-O 2.92Å; C529-R600 WeakPolarHBondContact CB-O 3.14Å; S530-R600 PolarHBondContact N-O 2.78Å; S530-R600 PolarHBondContact O-N 3.12Å; S530-R600 WeakPolarHBondContact OG-CB 3.36Å; Q598-R600 VanDerWaalsContact CD-NE 3.33Å; Q598-R600 HydrophobicContact CG-CG 4.32Å; Q598-R600 VanDerWaalsContact NE2-NH2 3.2Å; Q598-R600 VanDerWaalsContact OE1-NH2 3.11Å
601S83.5Confident69Low28 Ų2870 Ų7020%0.19640%0.399CS..EExtended strand (participates in β ladder)trans-66.8135.9171.9178.50000110.5
602T73.9Confident66.6Low43 Ų4375 Ų7526%0.26442%0.417SS..  trans-91.7-5-178.341.70000114.1A528 C529 S530 H576 M604A528-T602 VanDerWaalsContact C-OG1 3.31Å; A528-T602 WeakPolarHBondContact CB-OG1 3.07Å; A528-T602 PolarHBondContact O-OG1 2.98Å; C529-T602 VanDerWaalsContact C-CG2 3.46Å; S530-T602 VanDerWaalsContact N-CG2 3.3Å; H576-T602 WeakPolarHBondContact CE1-CG2 3.28Å; H576-T602 WeakPolarHBondContact ND1-CG2 3.16Å; T602-M604 PolarHBondContact O-N 2.84Å
603E63Low63.9Low90 Ų9075.9 Ų75.942%0.42143%0.427SS..  trans-60.2108.8-179.9-76-175.217900111.7N620E603-N620 PolarHBondContact OE2-ND2 3.1Å
604M49.2Very low61.4Low164 Ų16485.5 Ų85.581%0.80847%0.47SS*.  trans-56.6142.1171.5-77.2-76.5-100.200110.1T602 S606T602-M604 PolarHBondContact O-N 2.84Å; M604-S606 PolarHBondContact O-N 3.08Å
605P44.3Very low58.7Low97 Ų9789.7 Ų89.763%0.6350%0.504SS*.  trans-60.5112.3171.224.3-29.7000108.2S607P605-S607 VanDerWaalsContact C-N 3.3Å; P605-S607 PolarHBondContact O-N 3.36Å
606S41.3Very low56Low108 Ų10896.4 Ų96.476%0.75554%0.539SS*.  trans-59.399165.440.40000107.6M604 G608M604-S606 PolarHBondContact O-N 3.08Å; S606-G608 PolarHBondContact O-N 2.82Å
607S37Very low53.5Low125 Ų125102.3 Ų102.387%0.87458%0.578SS**  trans-68.497.6169.554.90000107.7P605P605-S607 VanDerWaalsContact C-N 3.3Å; P605-S607 PolarHBondContact O-N 3.36Å
608G36.1Very low51.3Low62 Ų62107 Ų10764%0.63960%0.602SS**SBendtrans124.695.7166.600000114.2S606S606-G608 PolarHBondContact O-N 2.82Å
609Q33.6Very low49.3Very low187 Ų187111.3 Ų111.387%0.87463%0.632SS**  151.1105125.8-82.8-174.2-900108.2S611Q609-S611 PolarHBondContact O-N 2.85Å
610L35.9Very low47.6Very low189 Ų189114.4 Ų114.499%0.9965%0.649SS**  trans-69.680.9169.7-68.1161.7000108.1
611S35.5Very low46.8Very low94 Ų94113.9 Ų113.966%0.65765%0.649SS**  trans-90.4112.416265.30000108.3Q609 D613Q609-S611 PolarHBondContact O-N 2.85Å; S611-D613 VanDerWaalsContact C-N 3.29Å; S611-D613 PolarHBondContact O-N 3.31Å
612F36.6Very low46.9Very low188 Ų188112.7 Ų112.783%0.82564%0.64SS**  trans-74.774.6-175.7-154.2-89.6000110.1
613D33.5Very low47.5Very low137 Ų137113.6 Ų113.673%0.73364%0.641SS**  trans-117.3118.8173.8-83.8-35.5000111.1S611 A615S611-D613 VanDerWaalsContact C-N 3.29Å; S611-D613 PolarHBondContact O-N 3.31Å; D613-A615 PolarHBondContact O-N 2.8Å
614F39.1Very low48.6Very low203 Ų203109.3 Ų109.389%0.8962%0.621SS**  trans-73.842.7-177.4-116.9-90.5000112.8
615A35.6Very low50.3Low87 Ų87102.9 Ų102.972%0.71959%0.591SS**  trans-91103.5173.500000110D613D613-A615 PolarHBondContact O-N 2.8Å
616L37.2Very low52.2Low145 Ų14599.4 Ų99.476%0.75957%0.565SS**  trans-3.4120168.8-64.7162.7000116.4L618L616-L618 PolarHBondContact O-N 3.09Å
617P39.7Very low54.1Low124 Ų12496.6 Ų96.681%0.80554%0.54SS*.SBendtrans-75.935.2-168.532.2-36.6000115.6
618L46.4Very low56.3Low98 Ų9893.2 Ų93.251%0.51351%0.51SS..  trans-102.67.5-172.8-83.5114.2000115.8L616L616-L618 PolarHBondContact O-N 3.09Å
619S52.3Low58.4Low91 Ų9194.9 Ų94.964%0.63650%0.501SS*.SBendtrans-77.7-28.9-178.5600000114.4K621S619-K621 PolarHBondContact O-N 3.4Å
620N58.2Low60.7Low68 Ų6888.8 Ų88.836%0.36448%0.475SS..SBendtrans-100.750.7-169.9-60.821000111.9E603E603-N620 PolarHBondContact OE2-ND2 3.1Å
621K70.6Confident62.6Low64 Ų6481.8 Ų81.828%0.27844%0.438SS..EExtended strand (participates in β ladder)trans-106.6121.5176.164.5-174.6-178.5179.10109.7Y498 Y500 S619Y498-K621 HydrophobicContact CD1-CD 4.27Å; Y500-K621 HydrophobicContact CD1-CB 4.11Å; Y500-K621 HydrophobicContact CE1-CB 3.89Å; S619-K621 PolarHBondContact O-N 3.4Å
622C85.4Confident64.3Low2 Ų279 Ų791%0.01442%0.419CS..EExtended strand (participates in β ladder)trans-83130.1166.3172.40000108.3Y498 V499 K526Y498-C622 CarbonylContact C-O 3.42Å; Y498-C622 WeakPolarHBondContact CA-O 3.07Å; V499-C622 HydrophobicContact CB-CB 4.1Å; V499-C622 PolarHBondContact N-O 3Å; V499-C622 PolarHBondContact O-N 3.49Å; K526-C622 CarbonylContact O-C 3.51Å; K526-C622 WeakPolarHBondContact O-CA 3.34Å; K526-C622 PolarHBondContact O-SG 2.84Å; K526-C622 VanDerWaalsContact O-SG 3.36Å
623K86.9Confident65.8Low63 Ų6370.8 Ų70.827%0.27438%0.384SS..EExtended strand (participates in β ladder)trans-107.1123.8178.5-176.8-175.5177.9-174.90108.6T496 Y498 I525 K526T496-K623 HydrophobicContact CG2-CG 4.25Å; Y498-K623 HydrophobicContact CD1-CB 4.17Å; Y498-K623 HydrophobicContact CD1-CG 4.14Å; Y498-K623 HydrophobicContact CE1-CB 4.12Å; Y498-K623 HydrophobicContact CE1-CD 3.93Å; Y498-K623 HydrophobicContact CE1-CG 3.76Å; I525-K623 HydrophobicContact CB-CB 4.29Å; I525-K623 HydrophobicContact CB-CD 4.13Å; I525-K623 HydrophobicContact CB-CG 4.17Å; I525-K623 HydrophobicContact CG2-CD 4.01Å; I525-K623 PolarHBondContact N-O 3.25Å; K526-K623 HydrophobicContact CB-CB 4.04Å; K526-K623 PolarHBondContact N-O 3.29Å; K526-K623 PolarHBondContact O-N 3.27Å
624V87Confident67Low0 Ų070.7 Ų70.70%038%0.38CS..EExtended strand (participates in β ladder)trans-121.1138.5178.6-175.50000108.9A497 V499 F522 D523A497-V624 PolarHBondContact N-O 3.2Å; A497-V624 PolarHBondContact O-N 3.1Å; A497-V624 VanDerWaalsContact O-O 3.12Å; V499-V624 HydrophobicContact CG2-CG2 4.21Å; F522-V624 HydrophobicContact CB-CG1 3.74Å; F522-V624 HydrophobicContact CD2-CG1 3.68Å; F522-V624 HydrophobicContact CG-CG1 3.99Å; D523-V624 WeakPolarHBondContact O-CA 3.38Å
625V83.5Confident67.6Low29 Ų2964.1 Ų64.118%0.17636%0.359CS..EExtended strand (participates in β ladder)trans-112.9118.5170.2175.40000106.6Y494 N495 F522 D523 I525Y494-V625 VanDerWaalsContact CB-CG1 3.43Å; Y494-V625 HydrophobicContact CD1-CG1 3.89Å; Y494-V625 HydrophobicContact CG-CG1 4Å; N495-V625 CarbonylContact O-C 3.59Å; N495-V625 VanDerWaalsContact O-CA 3.29Å; N495-V625 WeakPolarHBondContact O-CA 3.44Å; F522-V625 CarbonylContact C-O 3.58Å; F522-V625 WeakPolarHBondContact CA-O 2.94Å; F522-V625 WeakPolarHBondContact CB-O 3.2Å; D523-V625 PolarHBondContact N-O 3.27Å; D523-V625 PolarHBondContact O-N 2.87Å; I525-V625 HydrophobicContact CD1-CB 4.44Å; I525-V625 HydrophobicContact CD1-CG2 4.18Å; I525-V625 HydrophobicContact CG1-CB 4.16Å; I525-V625 HydrophobicContact CG1-CG2 3.58Å
626Y84.9Confident68.1Low24 Ų2461 Ų619%0.09433%0.328CS..EExtended strand (participates in β ladder)trans-135.5152.2-167.476.1-75.3000112.4N495 A497 F505 A507 D521 W599 H628N495-Y626 HydrophobicContact CB-CD1 4.11Å; N495-Y626 HydrophobicContact CB-CE1 3.53Å; N495-Y626 HydrophobicContact CB-CE2 4.4Å; N495-Y626 PolarHBondContact N-O 2.95Å; N495-Y626 WeakPolarHBondContact O-CD1 3.29Å; N495-Y626 PolarHBondContact O-N 2.81Å; A497-Y626 HydrophobicContact CB-CD1 3.91Å; A497-Y626 HydrophobicContact CB-CE1 3.68Å; F505-Y626 HydrophobicContact CD1-CE1 4.47Å; F505-Y626 HydrophobicContact CE1-CD1 4.28Å; F505-Y626 AromaticContact CE1-CE1 3.53Å; F505-Y626 HydrophobicContact CE1-CE1 3.53Å; F505-Y626 HydrophobicContact CE1-CE2 4.07Å; F505-Y626 AromaticContact CE1-CZ 3.41Å; F505-Y626 VanDerWaalsContact CE1-CZ 3.41Å; F505-Y626 WeakPolarHBondContact CE1-OH 3.43Å; F505-Y626 AromaticContact CZ-CE1 3.85Å; F505-Y626 HydrophobicContact CZ-CE1 3.85Å; F505-Y626 AromaticContact CZ-CZ 3.66Å; F505-Y626 VanDerWaalsContact CZ-OH 3.22Å; F505-Y626 WeakPolarHBondContact CZ-OH 3.12Å; A507-Y626 HydrophobicContact CB-CE2 4.12Å; D521-Y626 CarbonylContact O-C 3.48Å; D521-Y626 VanDerWaalsContact O-CA 3.29Å; D521-Y626 WeakPolarHBondContact O-CA 2.86Å; W599-Y626 AromaticContact CH2-CD2 3.7Å; W599-Y626 HydrophobicContact CH2-CD2 3.7Å; W599-Y626 HydrophobicContact CH2-CE2 4.37Å; W599-Y626 AromaticContact CH2-CG 3.96Å; W599-Y626 HydrophobicContact CH2-CG 3.96Å; W599-Y626 HydrophobicContact CZ2-CD2 4.38Å; W599-Y626 HydrophobicContact CZ2-CG 4.26Å; W599-Y626 HydrophobicContact CZ3-CD2 4.36Å; Y626-H628 AromaticContact CE2-CD2 3.86Å
627H81.2Confident68.5Low48 Ų4857.8 Ų57.822%0.22231%0.312CS..EExtended strand (participates in β ladder)trans-137142.6169.8175.1-101.1000108.3V493 Y494 W520 D521 E629V493-H627 HydrophobicContact CG1-CB 4.45Å; V493-H627 VanDerWaalsContact CG1-CD2 3.43Å; V493-H627 WeakPolarHBondContact CG1-CD2 3.37Å; V493-H627 PolarHBondContact O-CD2 2.79Å; Y494-H627 HydrophobicContact CD1-CB 3.88Å; Y494-H627 HydrophobicContact CD2-CB 4.32Å; Y494-H627 HydrophobicContact CE1-CB 3.98Å; Y494-H627 HydrophobicContact CE2-CB 4.37Å; Y494-H627 HydrophobicContact CG-CB 4.08Å; W520-H627 WeakPolarHBondContact CA-O 3.48Å; D521-H627 PolarHBondContact N-O 2.86Å; D521-H627 PolarHBondContact O-N 3.46Å; H627-E629 IonicContact CE1-OE2 3.68Å
628H83Confident68.6Low54 Ų5457.2 Ų57.225%0.2530%0.302CS..EExtended strand (participates in β ladder)trans-139.5148.3169.969.585.6000110.1T519 W520 L597 Y626T519-H628 CarbonylContact O-C 3.51Å; T519-H628 WeakPolarHBondContact O-CA 3.27Å; T519-H628 VanDerWaalsContact O-CB 3.23Å; T519-H628 WeakPolarHBondContact O-CB 3.4Å; W520-H628 HydrophobicContact CB-CB 4.4Å; L597-H628 HydrophobicContact CD1-CB 3.51Å; Y626-H628 AromaticContact CE2-CD2 3.86Å
629E81.1Confident68.4Low98 Ų9854.9 Ų54.946%0.45829%0.29SS..EExtended strand (participates in β ladder)trans-140.5135.9179.2-171.5175.1-173.600109.3T519 H627 L631T519-E629 PolarHBondContact N-O 3.48Å; T519-E629 PolarHBondContact O-N 2.88Å; T519-E629 WeakPolarHBondContact OG1-CB 3.31Å; T519-E629 PolarHBondContact OG1-N 2.91Å; T519-E629 PolarHBondContact OG1-O 3.3Å; H627-E629 IonicContact CE1-OE2 3.68Å; E629-L631 HydrophobicContact CG-CD2 4.26Å
630L81.8Confident67.6Low59 Ų5952.3 Ų52.331%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-102.8112.6172.7-178.170.2000108.4V509 V511 L518V509-L630 HydrophobicContact CG1-CB 3.98Å; V509-L630 HydrophobicContact CG1-CD1 4.38Å; V509-L630 HydrophobicContact CG1-CD2 4.13Å; V509-L630 HydrophobicContact CG1-CG 4.39Å; V511-L630 HydrophobicContact CG2-CD1 3.77Å; V511-L630 HydrophobicContact CG2-CD2 3.91Å; L518-L630 HydrophobicContact CB-CD1 4.22Å
631L74.8Confident66.8Low41 Ų4152.9 Ų52.922%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-88.2120.1176.2-61.4169.2000108.6I378 S516 V517 T519 E629I378-L631 HydrophobicContact CD1-CD1 3.26Å; I378-L631 HydrophobicContact CG1-CD1 4.22Å; S516-L631 CarbonylContact C-O 3.59Å; S516-L631 VanDerWaalsContact CA-O 3.26Å; S516-L631 WeakPolarHBondContact CA-O 3.3Å; S516-L631 VanDerWaalsContact CB-O 3.28Å; S516-L631 WeakPolarHBondContact CB-O 3.32Å; V517-L631 HydrophobicContact CB-CB 4.43Å; V517-L631 PolarHBondContact N-O 2.81Å; V517-L631 PolarHBondContact O-N 2.86Å; T519-L631 HydrophobicContact CG2-CD1 4.13Å; E629-L631 HydrophobicContact CG-CD2 4.26Å
632S71.4Confident65.5Low37 Ų3753.1 Ų53.126%0.25929%0.286SS..  trans-64.2148.7-17672.20000111.7E634 S635 Y636S632-E634 PolarHBondContact O-N 2.9Å; S632-S635 PolarHBondContact O-N 3.47Å; S632-S635 WeakPolarHBondContact OG-CB 3.33Å; S632-S635 PolarHBondContact OG-N 2.94Å; S632-S635 VanDerWaalsContact OG-N 3.1Å; S632-S635 PolarHBondContact OG-OG 2.87Å; S632-Y636 WeakPolarHBondContact O-CB 3.43Å; S632-Y636 PolarHBondContact O-N 2.93Å
633S68.3Low63.3Low15 Ų1553.6 Ų53.611%0.10529%0.288CS..Hα-helixtrans-58.8-31.5174.8760000112.2S516 Y636 N637S516-S633 PolarHBondContact OG-N 2.93Å; S633-Y636 CarbonylContact O-C 3.57Å; S633-Y636 PolarHBondContact O-N 2.88Å; S633-N637 WeakPolarHBondContact O-CA 3.45Å; S633-N637 WeakPolarHBondContact O-CB 3.45Å; S633-N637 PolarHBondContact O-N 2.8Å; S633-N637 PolarHBondContact O-ND2 2.8Å; S633-N637 VanDerWaalsContact O-ND2 3.09Å
634E58Low61Low135 Ų13556.4 Ų56.463%0.63130%0.302SS*.Hα-helixtrans-69.5-45.6174.8-72.1-175.8164.400111.9S632 Y636 N637 D638S632-E634 PolarHBondContact O-N 2.9Å; E634-Y636 PolarHBondContact O-N 2.79Å; E634-N637 PolarHBondContact O-N 2.85Å; E634-D638 VanDerWaalsContact O-CB 3.31Å; E634-D638 WeakPolarHBondContact O-CB 3.38Å; E634-D638 PolarHBondContact O-N 2.92Å
635S52.8Low58.7Low65 Ų6559.5 Ų59.546%0.45532%0.324SS..Hα-helixtrans-60.7-36.8174.7-54.70000110.5S632 L639S632-S635 PolarHBondContact O-N 3.47Å; S632-S635 WeakPolarHBondContact OG-CB 3.33Å; S632-S635 PolarHBondContact OG-N 2.94Å; S632-S635 VanDerWaalsContact OG-N 3.1Å; S632-S635 PolarHBondContact OG-OG 2.87Å; S635-L639 WeakPolarHBondContact O-CB 3.4Å; S635-L639 WeakPolarHBondContact O-CD1 3.26Å; S635-L639 WeakPolarHBondContact O-CG 3.28Å; S635-L639 PolarHBondContact O-N 2.91Å
636Y45.2Very low56.5Low21 Ų2159.9 Ų59.98%0.08233%0.328CS..Hα-helixtrans-72.4-43.4176-166.6-99.1000112.7R414 I418 V517 S632 S633 E634 L639 V640R414-Y636 HydrophobicContact CB-CE1 4.49Å; R414-Y636 WeakPolarHBondContact CB-OH 3.32Å; R414-Y636 PolarHBondContact O-OH 2.82Å; I418-Y636 HydrophobicContact CD1-CD2 3.94Å; I418-Y636 HydrophobicContact CD1-CE2 4.03Å; V517-Y636 HydrophobicContact CG2-CD2 3.98Å; V517-Y636 HydrophobicContact CG2-CE2 3.85Å; S632-Y636 WeakPolarHBondContact O-CB 3.43Å; S632-Y636 PolarHBondContact O-N 2.93Å; S633-Y636 CarbonylContact O-C 3.57Å; S633-Y636 PolarHBondContact O-N 2.88Å; E634-Y636 PolarHBondContact O-N 2.79Å; Y636-L639 WeakPolarHBondContact O-CB 3.33Å; Y636-L639 PolarHBondContact O-N 3.12Å; Y636-V640 HydrophobicContact CD1-CG2 3.99Å; Y636-V640 HydrophobicContact CE1-CG2 3.9Å; Y636-V640 WeakPolarHBondContact O-CB 3.4Å; Y636-V640 WeakPolarHBondContact O-CG2 3.11Å; Y636-V640 PolarHBondContact O-N 2.93Å
637N45.7Very low54Low78 Ų7866.3 Ų66.342%0.41735%0.351SS..Hα-helixtrans-75-36.9-177.4-76.1-29.6000111.3S633 E634 L639 V640 V641S633-N637 WeakPolarHBondContact O-CA 3.45Å; S633-N637 WeakPolarHBondContact O-CB 3.45Å; S633-N637 PolarHBondContact O-N 2.8Å; S633-N637 PolarHBondContact O-ND2 2.8Å; S633-N637 VanDerWaalsContact O-ND2 3.09Å; E634-N637 PolarHBondContact O-N 2.85Å; N637-L639 VanDerWaalsContact C-N 3.28Å; N637-L639 PolarHBondContact O-N 2.99Å; N637-V640 CarbonylContact O-C 3.43Å; N637-V640 PolarHBondContact O-N 2.72Å; N637-V640 VanDerWaalsContact O-N 3.1Å; N637-V641 VanDerWaalsContact O-CB 3.23Å; N637-V641 WeakPolarHBondContact O-CB 3.22Å; N637-V641 WeakPolarHBondContact O-CG2 3.46Å; N637-V641 PolarHBondContact O-N 3.28Å
638D42.9Very low51.9Low112 Ų11267.2 Ų67.260%0.59936%0.364SS*.Hα-helixtrans-64.5-37.2173-75.5-15.8000110.9E634 S642E634-D638 VanDerWaalsContact O-CB 3.31Å; E634-D638 WeakPolarHBondContact O-CB 3.38Å; E634-D638 PolarHBondContact O-N 2.92Å; D638-S642 WeakPolarHBondContact O-CB 3.47Å; D638-S642 PolarHBondContact O-N 3.08Å; D638-S642 VanDerWaalsContact O-N 3.12Å; D638-S642 PolarHBondContact O-OG 2.74Å
639L41Very low49.7Very low49 Ų4967.5 Ų67.526%0.25737%0.372SS..Hα-helixtrans-65.4-40.1170.1-69.7168.4000111.4I418 T421 S635 Y636 N637 L643I418-L639 HydrophobicContact CD1-CD1 4.24Å; I418-L639 HydrophobicContact CG1-CD1 3.93Å; I418-L639 HydrophobicContact CG2-CD1 4.3Å; T421-L639 HydrophobicContact CG2-CD2 3.98Å; S635-L639 WeakPolarHBondContact O-CB 3.4Å; S635-L639 WeakPolarHBondContact O-CD1 3.26Å; S635-L639 WeakPolarHBondContact O-CG 3.28Å; S635-L639 PolarHBondContact O-N 2.91Å; Y636-L639 WeakPolarHBondContact O-CB 3.33Å; Y636-L639 PolarHBondContact O-N 3.12Å; N637-L639 VanDerWaalsContact C-N 3.28Å; N637-L639 PolarHBondContact O-N 2.99Å; L639-L643 WeakPolarHBondContact O-CD1 3.41Å; L639-L643 PolarHBondContact O-N 2.86Å
640V36.2Very low47.6Very low36 Ų3664.5 Ų64.522%0.21836%0.357CS..Hα-helixtrans-77.5-33.4-179.9170.80000113.4P417 Y636 N637 L643 E644P417-V640 HydrophobicContact CB-CG2 4.28Å; P417-V640 HydrophobicContact CG-CG2 4.36Å; Y636-V640 HydrophobicContact CD1-CG2 3.99Å; Y636-V640 HydrophobicContact CE1-CG2 3.9Å; Y636-V640 WeakPolarHBondContact O-CB 3.4Å; Y636-V640 WeakPolarHBondContact O-CG2 3.11Å; Y636-V640 PolarHBondContact O-N 2.93Å; N637-V640 CarbonylContact O-C 3.43Å; N637-V640 PolarHBondContact O-N 2.72Å; N637-V640 VanDerWaalsContact O-N 3.1Å; V640-L643 CarbonylContact O-C 3.49Å; V640-L643 WeakPolarHBondContact O-CA 3.44Å; V640-L643 WeakPolarHBondContact O-CB 3.43Å; V640-L643 PolarHBondContact O-N 3.01Å; V640-E644 PolarHBondContact O-N 3.42Å
641V41.5Very low45.5Very low81 Ų8164.4 Ų64.449%0.49136%0.361SS..Hα-helixtrans-74-37.1178.2168.50000110.2N637 L643 E644 S645N637-V641 VanDerWaalsContact O-CB 3.23Å; N637-V641 WeakPolarHBondContact O-CB 3.22Å; N637-V641 WeakPolarHBondContact O-CG2 3.46Å; N637-V641 PolarHBondContact O-N 3.28Å; V641-L643 PolarHBondContact O-N 3.03Å; V641-L643 VanDerWaalsContact O-N 3.12Å; V641-E644 PolarHBondContact O-N 2.87Å; V641-E644 VanDerWaalsContact O-N 3.16Å; V641-S645 PolarHBondContact O-N 2.79Å; V641-S645 VanDerWaalsContact O-N 3.16Å; V641-S645 PolarHBondContact O-OG 2.7Å
642S43.2Very low43.6Very low68 Ų6864.7 Ų64.748%0.47637%0.367SS..Hα-helixtrans-54.9-26.2163.2-600000111.3D638 S645 C646D638-S642 WeakPolarHBondContact O-CB 3.47Å; D638-S642 PolarHBondContact O-N 3.08Å; D638-S642 VanDerWaalsContact O-N 3.12Å; D638-S642 PolarHBondContact O-OG 2.74Å; S642-S645 VanDerWaalsContact C-OG 3.25Å; S642-S645 WeakPolarHBondContact CA-OG 3.36Å; S642-S645 PolarHBondContact O-OG 2.88Å; S642-C646 PolarHBondContact O-N 2.95Å; S642-C646 VanDerWaalsContact O-N 3.13Å; S642-C646 PolarHBondContact O-SG 3.01Å
643L38.4Very low41.8Very low12 Ų1265.1 Ų65.16%0.06337%0.366CS..Hα-helixtrans-97.3-17.1175.9-89150.1000116.1P417 L639 V640 V641 S645 C646 R647 F650P417-L643 HydrophobicContact CB-CD1 3.11Å; P417-L643 HydrophobicContact CG-CD1 3.65Å; L639-L643 WeakPolarHBondContact O-CD1 3.41Å; L639-L643 PolarHBondContact O-N 2.86Å; V640-L643 CarbonylContact O-C 3.49Å; V640-L643 WeakPolarHBondContact O-CA 3.44Å; V640-L643 WeakPolarHBondContact O-CB 3.43Å; V640-L643 PolarHBondContact O-N 3.01Å; V641-L643 PolarHBondContact O-N 3.03Å; V641-L643 VanDerWaalsContact O-N 3.12Å; L643-S645 VanDerWaalsContact C-N 3.25Å; L643-C646 HydrophobicContact CB-CB 4.48Å; L643-C646 HydrophobicContact CD2-CB 3.7Å; L643-C646 HydrophobicContact CG-CB 4.21Å; L643-C646 CarbonylContact O-C 3.58Å; L643-C646 PolarHBondContact O-N 3.12Å; L643-R647 WeakPolarHBondContact O-CA 3.15Å; L643-R647 WeakPolarHBondContact O-CB 3.38Å; L643-R647 WeakPolarHBondContact O-CG 3.38Å; L643-R647 PolarHBondContact O-N 2.8Å; L643-F650 HydrophobicContact CD2-CE2 3.67Å; L643-F650 HydrophobicContact CD2-CZ 4.34Å
644E39.4Very low40.1Very low123 Ų12367.8 Ų67.858%0.57538%0.379SS*.Hα-helixtrans-69.1-34.6165-74-166.5155.600109.9V640 V641 R647 S648V640-E644 PolarHBondContact O-N 3.42Å; V641-E644 PolarHBondContact O-N 2.87Å; V641-E644 VanDerWaalsContact O-N 3.16Å; E644-R647 PolarHBondContact O-N 2.81Å; E644-S648 PolarHBondContact O-N 3.22Å; E644-S648 PolarHBondContact O-OG 3.43Å
645S39.6Very low38.9Very low64 Ų6467 Ų6745%0.44838%0.379SS..Hα-helixtrans-69.6-30.2166.150.10000112.9V641 S642 L643 S648 S649V641-S645 PolarHBondContact O-N 2.79Å; V641-S645 VanDerWaalsContact O-N 3.16Å; V641-S645 PolarHBondContact O-OG 2.7Å; S642-S645 VanDerWaalsContact C-OG 3.25Å; S642-S645 WeakPolarHBondContact CA-OG 3.36Å; S642-S645 PolarHBondContact O-OG 2.88Å; L643-S645 VanDerWaalsContact C-N 3.25Å; S645-S648 PolarHBondContact O-OG 2.94Å; S645-S649 PolarHBondContact O-N 2.79Å; S645-S649 PolarHBondContact O-OG 2.96Å
646C36.4Very low38.1Very low38 Ų3873 Ų7326%0.25739%0.391SS..Hα-helixtrans-75.2-28.9164.7-60.50000113.4S642 L643 S649 F650S642-C646 PolarHBondContact O-N 2.95Å; S642-C646 VanDerWaalsContact O-N 3.13Å; S642-C646 PolarHBondContact O-SG 3.01Å; L643-C646 HydrophobicContact CB-CB 4.48Å; L643-C646 HydrophobicContact CD2-CB 3.7Å; L643-C646 HydrophobicContact CG-CB 4.21Å; L643-C646 CarbonylContact O-C 3.58Å; L643-C646 PolarHBondContact O-N 3.12Å; C646-S649 CarbonylContact O-C 3.5Å; C646-S649 WeakPolarHBondContact O-CA 3.39Å; C646-S649 VanDerWaalsContact O-CB 3.25Å; C646-S649 WeakPolarHBondContact O-CB 3.44Å; C646-S649 PolarHBondContact O-N 2.95Å; C646-F650 HydrophobicContact CB-CD2 3.92Å; C646-F650 HydrophobicContact CB-CE2 3.43Å; C646-F650 VanDerWaalsContact CB-CE2 3.43Å; C646-F650 HydrophobicContact CB-CZ 4.03Å; C646-F650 WeakPolarHBondContact O-CB 3.22Å; C646-F650 WeakPolarHBondContact O-CD2 3.42Å; C646-F650 WeakPolarHBondContact O-CG 3.13Å; C646-F650 PolarHBondContact O-N 3.37Å
647R33.1Very low37.6Very low158 Ų15877.6 Ų77.660%0.59642%0.415SS*.Hα-helixtrans-70.8-36.6177.6-85.4-177.9168-165-4.6110L643 E644 S649 F650 S651L643-R647 WeakPolarHBondContact O-CA 3.15Å; L643-R647 WeakPolarHBondContact O-CB 3.38Å; L643-R647 WeakPolarHBondContact O-CG 3.38Å; L643-R647 PolarHBondContact O-N 2.8Å; E644-R647 PolarHBondContact O-N 2.81Å; R647-S649 VanDerWaalsContact C-N 3.26Å; R647-F650 HydrophobicContact CG-CD2 4.45Å; R647-F650 PolarHBondContact O-N 3.35Å; R647-S651 VanDerWaalsContact O-CB 3.24Å; R647-S651 WeakPolarHBondContact O-CB 3.22Å; R647-S651 PolarHBondContact O-N 3.42Å; R647-S651 PolarHBondContact O-OG 3.24Å
648S35.9Very low37.1Very low68 Ų6879 Ų7948%0.47642%0.422SS..Hα-helixtrans-63-36.8165.363.50000110.7E644 S645 S651 S652E644-S648 PolarHBondContact O-N 3.22Å; E644-S648 PolarHBondContact O-OG 3.43Å; S645-S648 PolarHBondContact O-OG 2.94Å; S648-S651 WeakPolarHBondContact CA-OG 3.42Å; S648-S651 PolarHBondContact O-OG 2.87Å; S648-S652 VanDerWaalsContact O-CB 3.31Å; S648-S652 WeakPolarHBondContact O-CB 3.16Å; S648-S652 PolarHBondContact O-N 2.9Å
649S36.7Very low36.7Very low60 Ų6076.3 Ų76.342%0.4242%0.421SS..Hα-helixtrans-70.2-29.8170.8-540000114.8S645 C646 R647 S652 L653S645-S649 PolarHBondContact O-N 2.79Å; S645-S649 PolarHBondContact O-OG 2.96Å; C646-S649 CarbonylContact O-C 3.5Å; C646-S649 WeakPolarHBondContact O-CA 3.39Å; C646-S649 VanDerWaalsContact O-CB 3.25Å; C646-S649 WeakPolarHBondContact O-CB 3.44Å; C646-S649 PolarHBondContact O-N 2.95Å; R647-S649 VanDerWaalsContact C-N 3.26Å; S649-S652 VanDerWaalsContact CA-OG 3.29Å; S649-S652 WeakPolarHBondContact CA-OG 3.34Å; S649-S652 CarbonylContact O-C 3.37Å; S649-S652 PolarHBondContact O-N 3.4Å; S649-S652 PolarHBondContact O-OG 2.87Å; S649-L653 WeakPolarHBondContact O-CG 3.47Å; S649-L653 PolarHBondContact O-N 3.35Å
650F38.1Very low36.3Very low35 Ų3581.5 Ų81.515%0.15444%0.444CS..Hα-helixtrans-80.5-35.5177.9-67.4-55.7000109.7W420 I437 L643 C646 R647 S652 L653 N654W420-F650 AromaticContact NE1-CZ 3.96Å; I437-F650 HydrophobicContact CD1-CD1 4.25Å; I437-F650 HydrophobicContact CD1-CE1 3.6Å; I437-F650 HydrophobicContact CD1-CE2 4.34Å; I437-F650 HydrophobicContact CD1-CZ 3.67Å; I437-F650 HydrophobicContact CG1-CE1 4.42Å; L643-F650 HydrophobicContact CD2-CE2 3.67Å; L643-F650 HydrophobicContact CD2-CZ 4.34Å; C646-F650 HydrophobicContact CB-CD2 3.92Å; C646-F650 HydrophobicContact CB-CE2 3.43Å; C646-F650 VanDerWaalsContact CB-CE2 3.43Å; C646-F650 HydrophobicContact CB-CZ 4.03Å; C646-F650 WeakPolarHBondContact O-CB 3.22Å; C646-F650 WeakPolarHBondContact O-CD2 3.42Å; C646-F650 WeakPolarHBondContact O-CG 3.13Å; C646-F650 PolarHBondContact O-N 3.37Å; R647-F650 HydrophobicContact CG-CD2 4.45Å; R647-F650 PolarHBondContact O-N 3.35Å; F650-S652 VanDerWaalsContact C-N 3.29Å; F650-L653 HydrophobicContact CD1-CD1 3.97Å; F650-L653 PolarHBondContact O-N 3.43Å; F650-N654 PolarHBondContact O-N 2.88Å
651S37.2Very low36.2Very low57 Ų5784.9 Ų84.940%0.39947%0.47SS..Hα-helixtrans-66-34.3166.875.60000111R647 S648 N654 L655R647-S651 VanDerWaalsContact O-CB 3.24Å; R647-S651 WeakPolarHBondContact O-CB 3.22Å; R647-S651 PolarHBondContact O-N 3.42Å; R647-S651 PolarHBondContact O-OG 3.24Å; S648-S651 WeakPolarHBondContact CA-OG 3.42Å; S648-S651 PolarHBondContact O-OG 2.87Å; S651-N654 WeakPolarHBondContact O-CB 3.33Å; S651-N654 PolarHBondContact O-N 3.16Å; S651-L655 WeakPolarHBondContact O-CB 3.3Å; S651-L655 VanDerWaalsContact O-CG 3.3Å; S651-L655 WeakPolarHBondContact O-CG 3.34Å; S651-L655 PolarHBondContact O-N 3.36Å
652S34Very low35.4Very low47 Ų4783.8 Ų83.833%0.32947%0.474SS..Hα-helixtrans-75-30.9174.880.40000112.6S648 S649 F650 L655 R656S648-S652 VanDerWaalsContact O-CB 3.31Å; S648-S652 WeakPolarHBondContact O-CB 3.16Å; S648-S652 PolarHBondContact O-N 2.9Å; S649-S652 VanDerWaalsContact CA-OG 3.29Å; S649-S652 WeakPolarHBondContact CA-OG 3.34Å; S649-S652 CarbonylContact O-C 3.37Å; S649-S652 PolarHBondContact O-N 3.4Å; S649-S652 PolarHBondContact O-OG 2.87Å; F650-S652 VanDerWaalsContact C-N 3.29Å; S652-L655 PolarHBondContact O-N 3.19Å; S652-R656 WeakPolarHBondContact O-CB 3.41Å; S652-R656 WeakPolarHBondContact O-CG 3.4Å; S652-R656 PolarHBondContact O-N 2.78Å
653L34.2Very low34.8Very low46 Ų4688 Ų8824%0.24149%0.49CS..Hα-helixtrans-63-45.6166-79.2162.5000111.1S649 F650 L655 R656 M657S649-L653 WeakPolarHBondContact O-CG 3.47Å; S649-L653 PolarHBondContact O-N 3.35Å; F650-L653 HydrophobicContact CD1-CD1 3.97Å; F650-L653 PolarHBondContact O-N 3.43Å; L653-L655 PolarHBondContact O-N 2.9Å; L653-R656 PolarHBondContact O-N 3.11Å; L653-M657 WeakPolarHBondContact O-CG 3.45Å; L653-M657 PolarHBondContact O-N 3Å; L653-M657 VanDerWaalsContact O-N 3.16Å
654N33.7Very low34.3Very low71 Ų7192.5 Ų92.538%0.3852%0.523SS..Hα-helixtrans-60.8-41.7172.8-85.8-17.8000112.4F650 S651 N658F650-N654 PolarHBondContact O-N 2.88Å; S651-N654 WeakPolarHBondContact O-CB 3.33Å; S651-N654 PolarHBondContact O-N 3.16Å; N654-N658 PolarHBondContact O-N 2.84Å
655L32.5Very low33.8Very low119 Ų11993.4 Ų93.462%0.62353%0.531SS*.Hα-helixtrans-71.2-36.8179.2-77.4164000112.7S651 S652 L653 M657 N658 G659S651-L655 WeakPolarHBondContact O-CB 3.3Å; S651-L655 VanDerWaalsContact O-CG 3.3Å; S651-L655 WeakPolarHBondContact O-CG 3.34Å; S651-L655 PolarHBondContact O-N 3.36Å; S652-L655 PolarHBondContact O-N 3.19Å; L653-L655 PolarHBondContact O-N 2.9Å; L655-M657 VanDerWaalsContact C-N 3.34Å; L655-N658 PolarHBondContact O-N 3.42Å; L655-G659 PolarHBondContact O-N 2.62Å
656R34.5Very low33.3Very low189 Ų18997.7 Ų97.771%0.71355%0.548SS*.Hα-helixtrans-65.9-36.9175.9-81.9-178.4176.1-178.10.7111.9S652 L653S652-R656 WeakPolarHBondContact O-CB 3.41Å; S652-R656 WeakPolarHBondContact O-CG 3.4Å; S652-R656 PolarHBondContact O-N 2.78Å; L653-R656 PolarHBondContact O-N 3.11Å
657M34.7Very low33Very low118 Ų118105.3 Ų105.358%0.58158%0.577SS**Hα-helixtrans-69.8-44.7175-73.3-78.4174.800111.5L653 L655 G659 Q660L653-M657 WeakPolarHBondContact O-CG 3.45Å; L653-M657 PolarHBondContact O-N 3Å; L653-M657 VanDerWaalsContact O-N 3.16Å; L655-M657 VanDerWaalsContact C-N 3.34Å; M657-G659 VanDerWaalsContact C-N 3.28Å; M657-G659 PolarHBondContact O-N 3.34Å; M657-Q660 PolarHBondContact O-N 2.99Å
658N36.5Very low32.6Very low107 Ų107102.3 Ų102.357%0.57258%0.58SS**Hα-helixtrans-68.3-26.1176.2-76.3-13000113.4N654 L655 S661N654-N658 PolarHBondContact O-N 2.84Å; L655-N658 PolarHBondContact O-N 3.42Å; N658-S661 PolarHBondContact O-OG 3.15Å
659G33.7Very low32.3Very low56 Ų56106.3 Ų106.358%0.57760%0.596SS**Hα-helixtrans-74.4-21.2178.400000114.6L655 M657L655-G659 PolarHBondContact O-N 2.62Å; M657-G659 VanDerWaalsContact C-N 3.28Å; M657-G659 PolarHBondContact O-N 3.34Å
660Q32.1Very low32Very low158 Ų158110 Ų11074%0.73861%0.611SS**THydrogen-bonded Turntrans-83.9-11.4-178.3-75.6-171-400114.3M657 G662M657-Q660 PolarHBondContact O-N 2.99Å; Q660-G662 VanDerWaalsContact C-N 3.31Å
661S34Very low31.5Very low108 Ų108117.3 Ų117.376%0.75565%0.646SS**THydrogen-bonded Turntrans-85.6-1.4171.659.10000113.7N658N658-S661 PolarHBondContact O-OG 3.15Å
662G26.6Very low31.1Very low57 Ų57120.4 Ų120.459%0.58866%0.664SS**  trans-95.417.1-175.600000116.3Q660 S664Q660-G662 VanDerWaalsContact C-N 3.31Å; G662-S664 PolarHBondContact O-N 2.93Å
663L29.3Very low30.9Very low156 Ų156127 Ų12782%0.81769%0.69SS**  trans-70.886.6169.8-80.7164.2000108.8I665L663-I665 PolarHBondContact O-N 2.78Å
664S27.5Very low30.7Very low108 Ų108134 Ų13476%0.75572%0.721SS**  trans-49.3102.917251.40000110.2G662 D666G662-S664 PolarHBondContact O-N 2.93Å; S664-D666 PolarHBondContact O-N 3.46Å
665I29.8Very low30.6Very low142 Ų142137.1 Ų137.173%0.72874%0.743SS**  trans-69.5107.1164-65.2171000106L663 K667L663-I665 PolarHBondContact O-N 2.78Å; I665-K667 HydrophobicContact CG2-CG 4.32Å; I665-K667 PolarHBondContact O-N 3.28Å
666D28.5Very low30.4Very low153 Ų153138.5 Ų138.582%0.81875%0.751SS**  trans-50.2100.9166.3-100.4-31.3000109S664S664-D666 PolarHBondContact O-N 3.46Å
667K29.4Very low30.3Very low198 Ų198134.4 Ų134.486%0.86176%0.757SS**  trans-98.177.5169.3-76.7-170.8176.4-1770108.6I665I665-K667 HydrophobicContact CG2-CG 4.32Å; I665-K667 PolarHBondContact O-N 3.28Å
668S26.5Very low29.9Very low95 Ų95135.7 Ų135.766%0.66477%0.766SS**  trans-107.695.1157.251.20000107.5
669L28.1Very low29.6Very low153 Ų153136.6 Ų136.680%0.80178%0.78SS**  trans-169.6129.5146.9-125.277.5000110.8
670D31.4Very low29.6Very low137 Ų137140.6 Ų140.673%0.73379%0.793SS**  trans71.392.5151.5-56.3-20.9000119.9
671Q26.4Very low29.3Very low189 Ų189137.3 Ų137.388%0.88379%0.793SS**PPolyproline II helixtrans-58.6127.8154.6-69.7179.2-16.200110
672P30.1Very low29.5Very low122 Ų122138 Ų13879%0.79279%0.794SS**PPolyproline II helixtrans-81.8129.7173.130.5-28.1000110.3Q674P672-Q674 PolarHBondContact O-N 3.3Å
673E30.1Very low29.8Very low186 Ų186146.8 Ų146.887%0.86983%0.828SS**PPolyproline II helixtrans-52.1121.2174.1-75.3175.7140.900111.4V675E673-V675 PolarHBondContact O-N 2.75Å
674Q29.3Very low29.9Very low192 Ų192146.4 Ų146.490%0.89783%0.829SS**  trans-65.6110.8167.4-97.9172-46.300109.3P672P672-Q674 PolarHBondContact O-N 3.3Å
675V31.3Very low30Very low137 Ų137148.4 Ų148.483%0.8383%0.833SS**  trans-89.2114.6168.4178.60000108.6E673 A677E673-V675 PolarHBondContact O-N 2.75Å; V675-A677 PolarHBondContact O-N 3.38Å
676D28.2Very low30Very low147 Ų147148.7 Ų148.779%0.78684%0.838SS**  trans-54.9113177.1-77.6-45000112.8N678D676-N678 PolarHBondContact O-N 3.38Å
677A32.3Very low30.1Very low103 Ų103148.5 Ų148.585%0.85184%0.84SS**  trans-96.479.1167.500000110.1V675 C679V675-A677 PolarHBondContact O-N 3.38Å; A677-C679 PolarHBondContact O-N 3.22Å
678N26.4Very low30.1Very low145 Ų145145.4 Ų145.478%0.77584%0.838SS**  trans-74.1109162.4-91.1-36.8000109.5D676D676-N678 PolarHBondContact O-N 3.38Å
679C31.1Very low30.4Very low126 Ų126148.7 Ų148.785%0.85185%0.85SS**  trans-148.278.5161.9-90.40000110.8A677A677-C679 PolarHBondContact O-N 3.22Å
680V33.2Very low30.5Very low140 Ų140148.4 Ų148.485%0.84885%0.853SS**  trans30118.3132.9-172.60000118.4
681A26.6Very low30.5Very low90 Ų90149.3 Ų149.374%0.74486%0.863SS**  trans-68.6156.9164.700000113.7
682P36.8Very low30.8Very low121 Ų121146 Ų14679%0.78686%0.861SS**  trans-130.5116.414531.9-15.4000111.8
683N34.6Very low30.9Very low243 Ų243148.2 Ų148.2100%1.29987%0.867SS**  trans64.10169.3-67.6-15.6000119.8

Retrieved 683 of 683 residues in 452.1 ms (Link to these results)

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