A0A093HDF9_STRCA Loading...

Protein FAM102A

AlphaFold DB , UniProt , Accession A0A093HDF9, Species STRCA (Struthio camelus australis), Gene n/a, Length 382 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
1M41.7Very low71.2Confident224 Ų224132.3 Ų132.3100%1.10364%0.642SS**  0140.20-58.7176.4-169.700108.4F3M1-F3 PolarHBondContact O-N 3.37Å
2A45.6Very low73.3Confident97 Ų97121.3 Ų121.380%0.80259%0.589SS**  trans-87.4102.1173.800000110.1L4A2-L4 PolarHBondContact O-N 2.72Å; A2-L4 VanDerWaalsContact O-N 3.17Å
3F53Low75Confident178 Ų178118.2 Ų118.278%0.78157%0.573SS**  trans-70.7107.5171.7-92.4-93.8000109.6M1 M5M1-F3 PolarHBondContact O-N 3.37Å; F3-M5 VanDerWaalsContact C-N 3.3Å; F3-M5 PolarHBondContact O-N 3.06Å
4L59.2Low76.6Confident162 Ų162109.7 Ų109.785%0.84853%0.532SS*.  trans-67.990.4168.4-113.375.9000109.3A2 K6A2-L4 PolarHBondContact O-N 2.72Å; A2-L4 VanDerWaalsContact O-N 3.17Å; L4-K6 PolarHBondContact O-N 3.13Å
5M64.4Low77.9Confident136 Ų136104.4 Ų104.467%0.6751%0.51SS*.  trans-60.7102.3172-71.6-174.517000109.4F3 K7 P73F3-M5 VanDerWaalsContact C-N 3.3Å; F3-M5 PolarHBondContact O-N 3.06Å; M5-K7 PolarHBondContact O-N 3.12Å; M5-K7 VanDerWaalsContact O-N 3.12Å; M5-P73 HydrophobicContact CB-CB 4.03Å; M5-P73 HydrophobicContact CB-CG 3.91Å; M5-P73 HydrophobicContact SD-CB 4.26Å; M5-P73 HydrophobicContact SD-CG 4.37Å
6K72Confident79.2Confident200 Ų20097.9 Ų97.987%0.8748%0.478SS*.PPolyproline II helixtrans-59.2116.7173.2-67.9176.5-179.51730108.1L4 K8L4-K6 PolarHBondContact O-N 3.13Å; K6-K8 PolarHBondContact O-N 2.81Å
7K79.1Confident80.3Confident96 Ų9693.8 Ų93.842%0.41746%0.461SS..PPolyproline II helixtrans-47.1130.6174.5-76.6-161.1169-167.10109.9M5 K9 D79M5-K7 PolarHBondContact O-N 3.12Å; M5-K7 VanDerWaalsContact O-N 3.12Å; K7-K9 PolarHBondContact O-N 3.35Å; K7-D79 WeakPolarHBondContact CD-OD2 3.47Å; K7-D79 IonicContact NZ-OD1 2.72Å; K7-D79 PolarHBondContact NZ-OD1 3.13Å; K7-D79 IonicContact NZ-OD2 2.76Å; K7-D79 PolarHBondContact NZ-OD2 2.88Å
8K86.8Confident81.2Confident86 Ų8688.6 Ų88.637%0.37444%0.435SS..EExtended strand (participates in β ladder)trans-57.1139.5170.3-70.4-170.5180-176.90108.2K6 F10 S70 A71 D149K6-K8 PolarHBondContact O-N 2.81Å; K8-F10 HydrophobicContact CB-CE1 4.48Å; K8-F10 HydrophobicContact CB-CE2 3.62Å; K8-F10 HydrophobicContact CB-CZ 3.49Å; K8-F10 VanDerWaalsContact CB-CZ 3.49Å; K8-F10 HydrophobicContact CD-CZ 3.98Å; K8-F10 HydrophobicContact CG-CZ 4.39Å; K8-S70 CarbonylContact O-C 3.51Å; K8-S70 WeakPolarHBondContact O-CA 3.37Å; K8-S70 WeakPolarHBondContact O-CB 3.21Å; K8-A71 PolarHBondContact O-N 3.04Å; K8-D149 IonicContact NZ-OD2 2.65Å; K8-D149 PolarHBondContact NZ-OD2 3.49Å
9K91.4Very high82Confident169 Ų16986.1 Ų86.174%0.73542%0.422SS*.EExtended strand (participates in β ladder)trans-121.6135.2179.8-65.2-174.5-178.7-177.20109.8K7K7-K9 PolarHBondContact O-N 3.35Å
10F94.6Very high82.7Confident3 Ų383.8 Ų83.81%0.01341%0.41CS..EExtended strand (participates in β ladder)trans-125.7146.9-177.4-46.6-94.2000108.2K8 F12 K68 I69 A71 L78 L145 S147 D149 F152K8-F10 HydrophobicContact CB-CE1 4.48Å; K8-F10 HydrophobicContact CB-CE2 3.62Å; K8-F10 HydrophobicContact CB-CZ 3.49Å; K8-F10 VanDerWaalsContact CB-CZ 3.49Å; K8-F10 HydrophobicContact CD-CZ 3.98Å; K8-F10 HydrophobicContact CG-CZ 4.39Å; F10-F12 HydrophobicContact CB-CD2 4.23Å; F10-F12 HydrophobicContact CB-CE2 3.54Å; F10-F12 HydrophobicContact CB-CZ 4.01Å; F10-F12 HydrophobicContact CG-CE2 4.35Å; F10-K68 CarbonylContact O-C 3.55Å; F10-K68 WeakPolarHBondContact O-CA 3.38Å; F10-I69 WeakPolarHBondContact CD2-O 3.41Å; F10-I69 PolarHBondContact N-O 3.27Å; F10-I69 PolarHBondContact O-N 2.83Å; F10-I69 VanDerWaalsContact O-O 3.12Å; F10-A71 HydrophobicContact CE2-CB 3.48Å; F10-A71 VanDerWaalsContact CE2-CB 3.48Å; F10-A71 HydrophobicContact CZ-CB 4Å; F10-L78 HydrophobicContact CD2-CD2 3.54Å; F10-L78 HydrophobicContact CE2-CD2 3.8Å; F10-L78 HydrophobicContact CG-CD2 4.13Å; F10-L145 HydrophobicContact CB-CD1 4.15Å; F10-L145 HydrophobicContact CD1-CD1 4.41Å; F10-S147 CarbonylContact C-O 3.51Å; F10-S147 WeakPolarHBondContact CA-O 3.47Å; F10-D149 WeakPolarHBondContact CD1-O 3.19Å; F10-D149 HydrophobicContact CE1-CB 4.2Å; F10-D149 WeakPolarHBondContact CE1-O 3.35Å; F10-F152 HydrophobicContact CD1-CD1 4.33Å; F10-F152 HydrophobicContact CE1-CB 4.04Å; F10-F152 HydrophobicContact CE1-CD1 4.34Å; F10-F152 HydrophobicContact CZ-CB 4.1Å
11K95.5Very high83.3Confident104 Ų10479.8 Ų79.845%0.45239%0.391SS..EExtended strand (participates in β ladder)trans-119.1125.7168.8-55.8179.7-156.9158.70107.1V66 C67 K68 L146 S147K11-V66 HydrophobicContact CB-CG1 4.19Å; K11-C67 WeakPolarHBondContact CA-O 3.27Å; K11-K68 HydrophobicContact CG-CG 4.41Å; K11-L146 HydrophobicContact CB-CB 4.33Å; K11-L146 PolarHBondContact O-N 3.46Å; K11-S147 WeakPolarHBondContact CB-OG 3.4Å; K11-S147 WeakPolarHBondContact CD-OG 3.48Å; K11-S147 WeakPolarHBondContact CE-OG 3.3Å; K11-S147 VanDerWaalsContact CG-OG 3.26Å; K11-S147 WeakPolarHBondContact CG-OG 3.47Å; K11-S147 PolarHBondContact N-O 3.3Å; K11-S147 PolarHBondContact O-N 3.17Å
12F95.9Very high85.8Confident1 Ų171.5 Ų71.50%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-113.7142.9174-61.7-87.9000109.6F10 V66 C67 I69 L78 A111 M143 S144 L145 F152F10-F12 HydrophobicContact CB-CD2 4.23Å; F10-F12 HydrophobicContact CB-CE2 3.54Å; F10-F12 HydrophobicContact CB-CZ 4.01Å; F10-F12 HydrophobicContact CG-CE2 4.35Å; F12-V66 VanDerWaalsContact O-CA 3.3Å; F12-V66 WeakPolarHBondContact O-CA 3.49Å; F12-C67 PolarHBondContact N-O 3.17Å; F12-C67 PolarHBondContact O-N 2.56Å; F12-I69 HydrophobicContact CD2-CB 4.38Å; F12-I69 HydrophobicContact CD2-CD1 3.86Å; F12-I69 HydrophobicContact CD2-CG1 4.05Å; F12-I69 HydrophobicContact CE2-CB 4.22Å; F12-I69 HydrophobicContact CE2-CD1 4.09Å; F12-I69 HydrophobicContact CE2-CG1 4.32Å; F12-L78 HydrophobicContact CE2-CD1 4.26Å; F12-L78 HydrophobicContact CE2-CD2 4.39Å; F12-L78 HydrophobicContact CZ-CD1 4.22Å; F12-A111 HydrophobicContact CD1-CB 4.33Å; F12-A111 HydrophobicContact CE1-CB 3.78Å; F12-A111 HydrophobicContact CE2-CB 4.22Å; F12-A111 HydrophobicContact CZ-CB 3.72Å; F12-M143 HydrophobicContact CB-CE 3.62Å; F12-M143 HydrophobicContact CD1-CE 4.2Å; F12-M143 HydrophobicContact CD2-CE 3.91Å; F12-M143 HydrophobicContact CG-CE 3.66Å; F12-S144 CarbonylContact C-O 3.43Å; F12-S144 WeakPolarHBondContact CA-O 3.35Å; F12-L145 HydrophobicContact CD1-CB 4.08Å; F12-L145 HydrophobicContact CD1-CD1 4.02Å; F12-L145 HydrophobicContact CE1-CB 3.96Å; F12-L145 HydrophobicContact CE1-CD1 3.62Å; F12-L145 HydrophobicContact CE1-CG 4.37Å; F12-L145 HydrophobicContact CE2-CD1 4.49Å; F12-L145 HydrophobicContact CZ-CD1 3.88Å; F12-F152 AromaticContact CE1-CE1 3.9Å; F12-F152 HydrophobicContact CE1-CE1 3.9Å; F12-F152 AromaticContact CE1-CZ 3.78Å; F12-F152 HydrophobicContact CE1-CZ 3.78Å; F12-F152 HydrophobicContact CZ-CD1 4.29Å; F12-F152 AromaticContact CZ-CE1 3.84Å; F12-F152 HydrophobicContact CZ-CE1 3.84Å; F12-F152 HydrophobicContact CZ-CE2 4.24Å; F12-F152 AromaticContact CZ-CZ 3.82Å; F12-F152 HydrophobicContact CZ-CZ 3.82Å
13Q96.4Very high87.9Confident80 Ų8069.6 Ų69.637%0.37434%0.337SS..EExtended strand (participates in β ladder)trans-87.1113.9164.5-172.8174.9800107.8T64 M143 S144 L146Q13-T64 HydrophobicContact CG-CG2 3.94Å; Q13-M143 WeakPolarHBondContact O-CA 3.26Å; Q13-S144 PolarHBondContact N-O 3.03Å; Q13-S144 PolarHBondContact O-N 3.02Å; Q13-S144 VanDerWaalsContact O-N 3.14Å; Q13-L146 HydrophobicContact CB-CD1 3.89Å; Q13-L146 HydrophobicContact CB-CD2 4.03Å; Q13-L146 HydrophobicContact CB-CG 3.84Å
14T96.7Very high89.6Confident0 Ų061.1 Ų61.10%030%0.3CS..EExtended strand (participates in β ladder)trans-95.7116.4179.6-52.10000109.3F16 T64 F65 C67 L107 I141 M143T14-F16 HydrophobicContact CG2-CB 4.45Å; T14-T64 WeakPolarHBondContact O-CA 3.33Å; T14-F65 HydrophobicContact CG2-CE1 4.14Å; T14-F65 HydrophobicContact CG2-CE2 4.06Å; T14-F65 HydrophobicContact CG2-CZ 3.7Å; T14-F65 PolarHBondContact N-O 2.87Å; T14-F65 PolarHBondContact O-N 3.06Å; T14-C67 PolarHBondContact OG1-SG 2.95Å; T14-L107 HydrophobicContact CG2-CD1 4.32Å; T14-L107 HydrophobicContact CG2-CD2 4.22Å; T14-I141 HydrophobicContact CG2-CG2 4.3Å; T14-M143 HydrophobicContact CG2-CG 4.02Å
15S96.9Very high90.7Very high30 Ų3056.8 Ų56.821%0.2128%0.281CS..EExtended strand (participates in β ladder)trans-93100.8167.9164.50000107.8K62 G142S15-K62 WeakPolarHBondContact OG-CE 3.02Å; S15-K62 PolarHBondContact OG-NZ 3.41Å; S15-G142 PolarHBondContact N-O 2.81Å; S15-G142 PolarHBondContact O-N 2.96Å
16F97.3Very high91.1Very high0 Ų053.9 Ų53.90%027%0.265CS..EExtended strand (participates in β ladder)trans-108.1115-177.6-173.5-80.8000110.2T14 L18 I35 K62 F63 F65 V85 L105 V139 I141T14-F16 HydrophobicContact CG2-CB 4.45Å; F16-L18 HydrophobicContact CE1-CB 4.32Å; F16-I35 HydrophobicContact CE1-CG1 4.13Å; F16-K62 CarbonylContact O-C 3.59Å; F16-F63 HydrophobicContact CB-CB 4.48Å; F16-F63 HydrophobicContact CD1-CD2 4.16Å; F16-F63 PolarHBondContact N-O 2.72Å; F16-F63 PolarHBondContact O-N 3.22Å; F16-F65 HydrophobicContact CB-CE1 3.78Å; F16-F65 HydrophobicContact CB-CZ 4.49Å; F16-F65 HydrophobicContact CG-CE1 4.42Å; F16-V85 HydrophobicContact CE1-CG2 4.32Å; F16-V85 HydrophobicContact CE2-CG2 4.46Å; F16-V85 HydrophobicContact CZ-CG2 3.64Å; F16-L105 HydrophobicContact CE2-CD1 3.84Å; F16-L105 HydrophobicContact CZ-CD1 4.07Å; F16-V139 HydrophobicContact CE1-CB 4.49Å; F16-V139 HydrophobicContact CE1-CG1 4.18Å; F16-V139 HydrophobicContact CE2-CB 4.42Å; F16-V139 HydrophobicContact CZ-CB 3.98Å; F16-V139 HydrophobicContact CZ-CG1 3.73Å; F16-V139 HydrophobicContact CZ-CG2 4.42Å; F16-I141 HydrophobicContact CD2-CD1 4.49Å; F16-I141 HydrophobicContact CD2-CG1 3.97Å; F16-I141 HydrophobicContact CE2-CD1 4.22Å; F16-I141 HydrophobicContact CE2-CG1 4.05Å
17T97.9Very high91Very high29 Ų2948.6 Ų48.618%0.17825%0.249CC..EExtended strand (participates in β ladder)trans-104.2118174.8-54.90000109.5E19 V139 T140T17-E19 HydrophobicContact CG2-CG 3.99Å; T17-E19 PolarHBondContact O-N 3.25Å; T17-V139 CarbonylContact O-C 3.48Å; T17-V139 VanDerWaalsContact O-CA 3.27Å; T17-V139 WeakPolarHBondContact O-CA 3.46Å; T17-T140 PolarHBondContact N-O 3.24Å; T17-T140 PolarHBondContact O-N 3.3Å
18L97.5Very high91Very high0 Ų050.7 Ų50.70%027%0.265CS..EExtended strand (participates in β ladder)trans-83.3104.5167.9178.168.9000107.9F16 C33 I35 W59 K60 K61 F63 V85 L137 V139F16-L18 HydrophobicContact CE1-CB 4.32Å; L18-C33 HydrophobicContact CD1-CB 4.49Å; L18-C33 HydrophobicContact CD2-CB 3.7Å; L18-I35 HydrophobicContact CD2-CD1 4.41Å; L18-W59 HydrophobicContact CD1-CE3 3.93Å; L18-W59 HydrophobicContact CD1-CZ3 4.19Å; L18-W59 HydrophobicContact CD2-CB 3.85Å; L18-W59 HydrophobicContact CD2-CD2 3.68Å; L18-W59 HydrophobicContact CD2-CE3 3.78Å; L18-W59 HydrophobicContact CD2-CG 3.71Å; L18-W59 HydrophobicContact CG-CB 4.08Å; L18-W59 HydrophobicContact CG-CD2 4.05Å; L18-W59 HydrophobicContact CG-CE3 3.65Å; L18-W59 HydrophobicContact CG-CG 4.25Å; L18-W59 HydrophobicContact CG-CZ3 4.4Å; L18-K60 CarbonylContact O-C 3.47Å; L18-K60 VanDerWaalsContact O-CA 3.27Å; L18-K60 WeakPolarHBondContact O-CA 3.33Å; L18-K60 PolarHBondContact O-N 2.64Å; L18-K61 PolarHBondContact N-O 2.88Å; L18-K61 PolarHBondContact O-N 3.48Å; L18-F63 HydrophobicContact CB-CE2 3.99Å; L18-F63 HydrophobicContact CD2-CE2 4.46Å; L18-V85 HydrophobicContact CD1-CG1 4.43Å; L18-L137 HydrophobicContact CD1-CD1 3.84Å; L18-V139 HydrophobicContact CD1-CG1 4.26Å
19E96.8Very high91.1Very high41 Ų4147.7 Ų47.719%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-83.2-71.4-175.9-64.5-172.4-163.300111T17 R58 W59 K60 K138 T140T17-E19 HydrophobicContact CG2-CG 3.99Å; T17-E19 PolarHBondContact O-N 3.25Å; E19-R58 CarbonylContact O-C 3.48Å; E19-W59 PolarHBondContact O-N 3.16Å; E19-K60 PolarHBondContact O-N 2.8Å; E19-K138 HydrophobicContact CB-CD 4.37Å; E19-K138 HydrophobicContact CB-CG 4.47Å; E19-K138 WeakPolarHBondContact CB-O 3.38Å; E19-K138 PolarHBondContact N-O 2.91Å; E19-K138 VanDerWaalsContact N-O 3.13Å; E19-K138 WeakPolarHBondContact OE2-CD 3.3Å; E19-K138 WeakPolarHBondContact OE2-CE 3.48Å; E19-K138 IonicContact OE2-NZ 2.72Å; E19-K138 PolarHBondContact OE2-NZ 3.38Å; E19-T140 VanDerWaalsContact OE1-CB 3.28Å; E19-T140 WeakPolarHBondContact OE1-CB 3.48Å; E19-T140 PolarHBondContact OE1-OG1 2.54Å
20E96.1Very high91.2Very high40 Ų4041.3 Ų41.319%0.18723%0.234CC..EExtended strand (participates in β ladder)trans-157.5162.7-17062-160.1157.200112.5T22 V57 R58 K138E20-T22 HydrophobicContact CG-CG2 4.38Å; E20-V57 CarbonylContact C-O 3.56Å; E20-V57 WeakPolarHBondContact CA-O 3.13Å; E20-V57 VanDerWaalsContact CB-O 3.32Å; E20-V57 WeakPolarHBondContact CB-O 3.49Å; E20-R58 HydrophobicContact CB-CB 4.43Å; E20-R58 HydrophobicContact CB-CG 4.11Å; E20-K138 HydrophobicContact CG-CB 3.96Å; E20-K138 HydrophobicContact CG-CD 3.83Å; E20-K138 PolarHBondContact N-O 2.8Å; E20-K138 PolarHBondContact O-N 2.92Å; E20-K138 WeakPolarHBondContact OE1-CD 3.5Å; E20-K138 IonicContact OE1-NZ 2.64Å; E20-K138 PolarHBondContact OE1-NZ 2.71Å
21L95.1Very high91.2Very high0 Ų041.1 Ų41.10%023%0.233CC..EExtended strand (participates in β ladder)trans-120.9122.8166.7-179.670000107.1V24 L31 C56 V57 W59 V87 L122 I136 L137L21-V24 HydrophobicContact CB-CG2 4.47Å; L21-V24 HydrophobicContact CD2-CG2 3.73Å; L21-V24 HydrophobicContact CG-CG2 3.8Å; L21-L31 HydrophobicContact CD2-CD1 3.91Å; L21-C56 CarbonylContact O-C 3.57Å; L21-C56 WeakPolarHBondContact O-CA 3.5Å; L21-C56 PolarHBondContact O-SG 3.31Å; L21-C56 VanDerWaalsContact O-SG 3.35Å; L21-V57 PolarHBondContact N-O 3.38Å; L21-V57 PolarHBondContact O-N 3.07Å; L21-W59 HydrophobicContact CB-CH2 3.63Å; L21-W59 HydrophobicContact CB-CZ3 3.6Å; L21-W59 HydrophobicContact CD2-CH2 4.21Å; L21-V87 HydrophobicContact CD2-CG1 3.87Å; L21-V87 HydrophobicContact CD2-CG2 4.5Å; L21-L122 HydrophobicContact CD1-CD1 3.87Å; L21-L122 HydrophobicContact CD1-CD2 4.43Å; L21-L122 HydrophobicContact CD1-CG 4.09Å; L21-L122 HydrophobicContact CD2-CD1 4.11Å; L21-I136 WeakPolarHBondContact CA-O 3.29Å; L21-L137 HydrophobicContact CB-CD1 4.4Å; L21-L137 HydrophobicContact CD1-CB 3.89Å; L21-L137 HydrophobicContact CD1-CD1 4.21Å
22T93.8Very high91.2Very high50 Ų5036.8 Ų36.831%0.30721%0.214SC..EExtended strand (participates in β ladder)trans-107.3171176.760.40000110.8E20 V24 S135 I136E20-T22 HydrophobicContact CG-CG2 4.38Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 2.78Å; T22-S135 CarbonylContact O-C 3.53Å; T22-S135 WeakPolarHBondContact O-CA 3.29Å; T22-S135 WeakPolarHBondContact O-CB 3.34Å; T22-I136 PolarHBondContact N-O 2.9Å; T22-I136 PolarHBondContact O-N 2.78Å; T22-I136 PolarHBondContact OG1-O 2.91Å
23A90.5Very high91.3Very high56 Ų5636.7 Ų36.746%0.46321%0.214SC..  trans53.643-179.100000113.8N55 S135A23-N55 PolarHBondContact N-O 2.93Å; A23-N55 VanDerWaalsContact N-O 3.17Å; A23-S135 WeakPolarHBondContact O-CA 3.47Å; A23-S135 PolarHBondContact O-OG 3.44Å
24V88.4Confident91.3Very high1 Ų135.9 Ų35.91%0.00621%0.209CC..  trans-77119.7173.3-178.40000109.3L21 T22 F26 L31 V52 N55 S135L21-V24 HydrophobicContact CB-CG2 4.47Å; L21-V24 HydrophobicContact CD2-CG2 3.73Å; L21-V24 HydrophobicContact CG-CG2 3.8Å; T22-V24 VanDerWaalsContact C-N 3.32Å; T22-V24 PolarHBondContact O-N 2.78Å; V24-F26 HydrophobicContact CG1-CD2 4.1Å; V24-F26 PolarHBondContact O-N 3.43Å; V24-F26 VanDerWaalsContact O-N 3.14Å; V24-L31 HydrophobicContact CG1-CD1 4.18Å; V24-L31 HydrophobicContact CG2-CD1 4.35Å; V24-V52 HydrophobicContact CB-CG1 4.28Å; V24-V52 HydrophobicContact CG1-CG1 4.23Å; V24-V52 HydrophobicContact CG1-CG2 3.99Å; V24-N55 PolarHBondContact N-O 3.22Å; V24-N55 WeakPolarHBondContact O-CB 3.04Å; V24-S135 WeakPolarHBondContact CA-OG 3.32Å
25P81.1Confident91.4Very high70 Ų7035.9 Ų35.946%0.45521%0.209SC..SBendtrans-79.56-170.130.8-34.9000115D133P25-D133 HydrophobicContact CG-CB 4.35Å; P25-D133 WeakPolarHBondContact CG-OD1 3.34Å
26F74.3Confident91.4Very high76 Ų7640 Ų4033%0.33322%0.22SC..  trans-127.2112.2177.5-21.8-87.9000109.7V24 N28 V52 L100V24-F26 HydrophobicContact CG1-CD2 4.1Å; V24-F26 PolarHBondContact O-N 3.43Å; V24-F26 VanDerWaalsContact O-N 3.14Å; F26-N28 PolarHBondContact O-N 3.42Å; F26-V52 WeakPolarHBondContact O-CG1 3.22Å; F26-L100 HydrophobicContact CE2-CD1 4.25Å; F26-L100 HydrophobicContact CE2-CD2 4.04Å; F26-L100 HydrophobicContact CZ-CD2 4.47Å
27V69.6Low91.3Very high88 Ų8840.3 Ų40.353%0.53322%0.222SC..SBendtrans-62.9-30-176.7-154.50000112.8V52V27-V52 WeakPolarHBondContact O-CB 3.32Å
28N79.3Confident91.1Very high140 Ų14042 Ų4275%0.74923%0.229SC*.SBendtrans-110.5125.4-178.1-72.7-25.6000112.6F26 K89F26-N28 PolarHBondContact O-N 3.42Å; N28-K89 PolarHBondContact O-NZ 2.84Å
29G88.4Confident90.7Very high24 Ų2445.7 Ų45.725%0.24725%0.249CC..  trans157.6163.4170.200000113.5E51 V52G29-E51 WeakPolarHBondContact O-CA 3.11Å; G29-V52 PolarHBondContact O-N 2.8Å
30V93.6Very high90Very high34 Ų3445.1 Ų45.121%0.20625%0.254CS..EExtended strand (participates in β ladder)trans-102.6126.5172.9-178.30000108.7R49 E50 E51 E90V30-R49 HydrophobicContact CG1-CB 3.66Å; V30-R49 HydrophobicContact CG1-CG 4.24Å; V30-E50 CarbonylContact C-O 3.52Å; V30-E50 WeakPolarHBondContact CA-O 3.28Å; V30-E51 HydrophobicContact CG2-CG 3.93Å; V30-E90 HydrophobicContact CB-CB 4.04Å; V30-E90 WeakPolarHBondContact O-CB 3.47Å; V30-E90 PolarHBondContact O-N 3.37Å
31L94.4Very high89.7Confident0 Ų044.5 Ų44.50%026%0.258CS..EExtended strand (participates in β ladder)trans-113147.2177.8-55.2-166.4000112.3L21 V24 E50 V52 V57 W59 V87 R88 K89 L100L21-L31 HydrophobicContact CD2-CD1 3.91Å; V24-L31 HydrophobicContact CG1-CD1 4.18Å; V24-L31 HydrophobicContact CG2-CD1 4.35Å; L31-E50 PolarHBondContact N-O 3.19Å; L31-E50 PolarHBondContact O-N 3.13Å; L31-E50 VanDerWaalsContact O-N 3.07Å; L31-V52 HydrophobicContact CD1-CG2 4.2Å; L31-V52 HydrophobicContact CG-CG2 3.99Å; L31-V57 HydrophobicContact CB-CG1 4.45Å; L31-V57 HydrophobicContact CB-CG2 4.14Å; L31-V57 HydrophobicContact CD1-CG2 3.79Å; L31-V57 HydrophobicContact CG-CG2 3.97Å; L31-W59 HydrophobicContact CB-CZ2 3.98Å; L31-W59 PolarHBondContact O-NE1 3.25Å; L31-V87 HydrophobicContact CD1-CG1 4.33Å; L31-R88 WeakPolarHBondContact CA-O 3.36Å; L31-K89 HydrophobicContact CD2-CB 3.55Å; L31-K89 HydrophobicContact CD2-CD 4.16Å; L31-K89 HydrophobicContact CD2-CG 3.76Å; L31-L100 HydrophobicContact CD1-CD1 4.04Å; L31-L100 HydrophobicContact CD2-CD1 3.77Å
32F96.1Very high89.6Confident12 Ų1251.6 Ų51.65%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-145.5149.2171.667.6-80.3000111.3L46 S47 R49 R88 Y97F32-L46 HydrophobicContact CD2-CD2 4.19Å; F32-L46 HydrophobicContact CE2-CD2 4.25Å; F32-S47 WeakPolarHBondContact CA-OG 3.06Å; F32-R49 HydrophobicContact CB-CG 4.17Å; F32-R49 HydrophobicContact CD1-CG 4.41Å; F32-R49 HydrophobicContact CG-CG 4.46Å; F32-R88 HydrophobicContact CD1-CB 4.15Å; F32-R88 HydrophobicContact CD2-CB 4.31Å; F32-R88 HydrophobicContact CE1-CB 3.81Å; F32-R88 HydrophobicContact CE2-CB 3.99Å; F32-R88 VanDerWaalsContact CE2-CD 3.48Å; F32-R88 HydrophobicContact CE2-CG 4.36Å; F32-R88 HydrophobicContact CG-CB 4.39Å; F32-R88 HydrophobicContact CZ-CB 3.72Å; F32-R88 HydrophobicContact CZ-CG 4.4Å; F32-R88 PolarHBondContact N-O 2.59Å; F32-R88 WeakPolarHBondContact O-CB 3.47Å; F32-R88 PolarHBondContact O-N 2.87Å; F32-Y97 HydrophobicContact CZ-CD1 4.37Å; F32-Y97 HydrophobicContact CZ-CG 4.03Å
33C96.9Very high89.7Confident0 Ų051.5 Ų51.50%029%0.292CS..EExtended strand (participates in β ladder)trans-101.7141.8178-680000111.1L18 I35 L46 S47 W59 V85 S86L18-C33 HydrophobicContact CD1-CB 4.49Å; L18-C33 HydrophobicContact CD2-CB 3.7Å; C33-I35 HydrophobicContact CB-CD1 4.05Å; C33-L46 WeakPolarHBondContact O-CA 3.41Å; C33-S47 PolarHBondContact N-OG 3.15Å; C33-S47 PolarHBondContact O-N 3.35Å; C33-W59 VanDerWaalsContact SG-CH2 3.56Å; C33-V85 HydrophobicContact CB-CG1 3.89Å; C33-S86 CarbonylContact C-O 3.59Å; C33-S86 WeakPolarHBondContact CA-O 3.1Å
34K97.1Very high90Very high62 Ų6251.2 Ų51.227%0.2729%0.29SS..EExtended strand (participates in β ladder)trans-105.6111.6160-172174-177.5170.20109.4R36 S45 L46 S86K34-R36 HydrophobicContact CD-CG 4.27Å; K34-R36 HydrophobicContact CG-CG 4.12Å; K34-S45 WeakPolarHBondContact CA-O 3.46Å; K34-L46 HydrophobicContact CB-CD2 3.67Å; K34-L46 HydrophobicContact CD-CD2 4.23Å; K34-L46 HydrophobicContact CG-CD2 3.78Å; K34-S86 PolarHBondContact N-O 2.82Å; K34-S86 PolarHBondContact O-N 2.93Å
35I97.4Very high90.4Very high0 Ų053 Ų530%030%0.302CS..EExtended strand (participates in β ladder)trans-84.5132.6172.8-57.472.6000107F16 L18 C33 F43 A44 S45 F63 V85F16-I35 HydrophobicContact CE1-CG1 4.13Å; L18-I35 HydrophobicContact CD2-CD1 4.41Å; C33-I35 HydrophobicContact CB-CD1 4.05Å; I35-F43 HydrophobicContact CB-CE1 4.49Å; I35-F43 HydrophobicContact CG2-CE1 4.04Å; I35-A44 WeakPolarHBondContact O-CA 3.27Å; I35-S45 PolarHBondContact N-O 3.06Å; I35-S45 PolarHBondContact O-N 3.23Å; I35-F63 HydrophobicContact CD1-CD2 4.5Å; I35-F63 HydrophobicContact CD1-CE1 4.14Å; I35-F63 HydrophobicContact CD1-CE2 3.73Å; I35-F63 HydrophobicContact CD1-CZ 3.5Å; I35-F63 HydrophobicContact CG1-CE2 4.27Å; I35-F63 HydrophobicContact CG1-CZ 4.38Å; I35-V85 HydrophobicContact CG1-CG1 4.47Å
36R97.2Very high91.2Very high116 Ų11653.5 Ų53.544%0.43830%0.3SS..EExtended strand (participates in β ladder)trans-136.6129.1173.8-64-174.866.6-170.5-2.2110.1K34 L38 F43 A44 C83 R84K34-R36 HydrophobicContact CD-CG 4.27Å; K34-R36 HydrophobicContact CG-CG 4.12Å; R36-L38 HydrophobicContact CB-CD2 4.23Å; R36-F43 WeakPolarHBondContact CA-O 3.44Å; R36-A44 HydrophobicContact CG-CB 4.24Å; R36-C83 CarbonylContact O-C 3.59Å; R36-C83 WeakPolarHBondContact O-CA 3Å; R36-C83 PolarHBondContact O-SG 3.46Å; R36-R84 PolarHBondContact N-O 3.3Å; R36-R84 PolarHBondContact O-N 3Å
37L96.3Very high92.3Very high7 Ų750.5 Ų50.54%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-73131156.3-165.755.7000107.6D39 F43 F65 C67 C83 L107L37-D39 WeakPolarHBondContact CD1-O 3.26Å; L37-D39 VanDerWaalsContact CG-O 3.23Å; L37-D39 WeakPolarHBondContact CG-O 3.35Å; L37-F43 HydrophobicContact CB-CB 4.08Å; L37-F43 HydrophobicContact CD2-CB 4.49Å; L37-F43 PolarHBondContact N-O 2.89Å; L37-F65 HydrophobicContact CD1-CE2 4.33Å; L37-F65 HydrophobicContact CD2-CD2 4.26Å; L37-F65 HydrophobicContact CD2-CE2 4.2Å; L37-C67 HydrophobicContact CD1-CB 4.37Å; L37-C67 HydrophobicContact CD2-CB 3.86Å; L37-C83 HydrophobicContact CD1-CB 4.39Å; L37-L107 HydrophobicContact CD1-CD1 3.72Å
38L94.1Very high93.5Very high64 Ų6448.1 Ų48.134%0.33528%0.276SS..  trans-97.2-44.2174.7-56.5-173.6000110.2R36 I82 R84R36-L38 HydrophobicContact CB-CD2 4.23Å; L38-I82 HydrophobicContact CB-CB 4.42Å; L38-I82 WeakPolarHBondContact CB-O 3.35Å; L38-I82 HydrophobicContact CD1-CB 4.32Å; L38-I82 HydrophobicContact CD1-CG2 3.93Å; L38-I82 HydrophobicContact CG-CG2 4.5Å; L38-I82 PolarHBondContact N-O 3.47Å; L38-R84 HydrophobicContact CD1-CB 4.02Å; L38-R84 HydrophobicContact CD2-CB 4.2Å; L38-R84 HydrophobicContact CG-CB 4.09Å
39D88.1Confident94.3Very high79 Ų7948.1 Ų48.142%0.42227%0.266SS..SBendtrans-117.7144.2-178.5-59.2-67.1000111.6L37 G41 C81L37-D39 WeakPolarHBondContact CD1-O 3.26Å; L37-D39 VanDerWaalsContact CG-O 3.23Å; L37-D39 WeakPolarHBondContact CG-O 3.35Å; D39-G41 VanDerWaalsContact C-N 3.3Å; D39-G41 PolarHBondContact O-N 2.62Å; D39-C81 PolarHBondContact O-SG 2.83Å
40G83.1Confident94.7Very high29 Ų2950.1 Ų50.130%0.29927%0.269SS..SBendtrans80.14.2176.400000115.5K68G40-K68 WeakPolarHBondContact CA-O 3.49Å; G40-K68 VanDerWaalsContact O-CB 3.26Å; G40-K68 WeakPolarHBondContact O-CB 3.5Å; G40-K68 WeakPolarHBondContact O-CG 3.32Å; G40-K68 PolarHBondContact O-N 3.46Å
41G89.6Confident94.7Very high26 Ų2654.6 Ų54.627%0.26829%0.287SS..  trans171.7-179.8171.400000113.1D39D39-G41 VanDerWaalsContact C-N 3.3Å; D39-G41 PolarHBondContact O-N 2.62Å
42D92.3Very high94.7Very high150 Ų15055.2 Ų55.280%0.80229%0.291SS*.  trans-108.45.2-172.156.3-34000113.3A44D42-A44 PolarHBondContact O-N 3.26Å
43F95.7Very high94.4Very high47 Ų4759.9 Ų59.921%0.20631%0.313CS..  trans-57.6122.4-176.7177.4-102.4000112.5I35 R36 L37 F63 F65I35-F43 HydrophobicContact CB-CE1 4.49Å; I35-F43 HydrophobicContact CG2-CE1 4.04Å; R36-F43 WeakPolarHBondContact CA-O 3.44Å; L37-F43 HydrophobicContact CB-CB 4.08Å; L37-F43 HydrophobicContact CD2-CB 4.49Å; L37-F43 PolarHBondContact N-O 2.89Å; F43-F63 HydrophobicContact CZ-CB 4.2Å; F43-F63 HydrophobicContact CZ-CD1 4.19Å; F43-F65 HydrophobicContact CB-CB 4.1Å; F43-F65 HydrophobicContact CB-CD2 4.24Å; F43-F65 HydrophobicContact CB-CG 4.21Å; F43-F65 HydrophobicContact CD1-CB 4.02Å; F43-F65 AromaticContact CD1-CD1 3.51Å; F43-F65 HydrophobicContact CD1-CD1 3.51Å; F43-F65 HydrophobicContact CD1-CD2 4.06Å; F43-F65 AromaticContact CD1-CE1 3.87Å; F43-F65 HydrophobicContact CD1-CE1 3.87Å; F43-F65 HydrophobicContact CD1-CE2 4.39Å; F43-F65 AromaticContact CD1-CG 3.61Å; F43-F65 HydrophobicContact CD1-CG 3.61Å; F43-F65 HydrophobicContact CD1-CZ 4.29Å; F43-F65 HydrophobicContact CD2-CB 3.53Å; F43-F65 HydrophobicContact CD2-CD1 4.38Å; F43-F65 HydrophobicContact CD2-CG 4.08Å; F43-F65 HydrophobicContact CE1-CB 4.34Å; F43-F65 AromaticContact CE1-CD1 3.36Å; F43-F65 HydrophobicContact CE1-CD1 3.36Å; F43-F65 AromaticContact CE1-CE1 3.71Å; F43-F65 HydrophobicContact CE1-CE1 3.71Å; F43-F65 AromaticContact CE1-CG 3.93Å; F43-F65 HydrophobicContact CE1-CG 3.93Å; F43-F65 HydrophobicContact CE2-CB 3.88Å; F43-F65 HydrophobicContact CE2-CD1 4.25Å; F43-F65 HydrophobicContact CE2-CG 4.36Å; F43-F65 HydrophobicContact CG-CB 3.6Å; F43-F65 HydrophobicContact CG-CD1 4.02Å; F43-F65 HydrophobicContact CG-CD2 4.16Å; F43-F65 AromaticContact CG-CG 3.69Å; F43-F65 HydrophobicContact CG-CG 3.69Å; F43-F65 HydrophobicContact CZ-CB 4.26Å; F43-F65 AromaticContact CZ-CD1 3.76Å; F43-F65 HydrophobicContact CZ-CD1 3.76Å; F43-F65 HydrophobicContact CZ-CE1 4.47Å; F43-F65 HydrophobicContact CZ-CG 4.29Å
44A96.8Very high94.1Very high51 Ų5167 Ų6742%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-138.8131.7169.700000110.1I35 R36 D42I35-A44 WeakPolarHBondContact O-CA 3.27Å; R36-A44 HydrophobicContact CG-CB 4.24Å; D42-A44 PolarHBondContact O-N 3.26Å
45S97.3Very high93.8Very high38 Ų3867.4 Ų67.427%0.26635%0.351SS..EExtended strand (participates in β ladder)trans-145.8167.8-179.8-160.10000112.2K34 I35 F63K34-S45 WeakPolarHBondContact CA-O 3.46Å; I35-S45 PolarHBondContact N-O 3.06Å; I35-S45 PolarHBondContact O-N 3.23Å; S45-F63 WeakPolarHBondContact OG-CE1 3.44Å
46L97.1Very high93.5Very high81 Ų8167.9 Ų67.942%0.42435%0.354SS..EExtended strand (participates in β ladder)trans-119.6143.8-179.8-66.2170.9000110.4F32 C33 K34 K61 F63F32-L46 HydrophobicContact CD2-CD2 4.19Å; F32-L46 HydrophobicContact CE2-CD2 4.25Å; C33-L46 WeakPolarHBondContact O-CA 3.41Å; K34-L46 HydrophobicContact CB-CD2 3.67Å; K34-L46 HydrophobicContact CD-CD2 4.23Å; K34-L46 HydrophobicContact CG-CD2 3.78Å; L46-K61 PolarHBondContact O-NZ 2.75Å; L46-F63 WeakPolarHBondContact O-CE1 3.47Å
47S97.3Very high93.4Very high12 Ų1262.4 Ų62.48%0.08433%0.334CS..  trans-69.3175166.869.50000111.6F32 C33 W59F32-S47 WeakPolarHBondContact CA-OG 3.06Å; C33-S47 PolarHBondContact N-OG 3.15Å; C33-S47 PolarHBondContact O-N 3.35Å; S47-W59 PolarHBondContact OG-NE1 2.88Å
48S96.2Very high93.4Very high39 Ų3967 Ų6727%0.27335%0.351SS..  trans-62.1166.1154.244.60000110.9E50 W59S48-E50 WeakPolarHBondContact CB-OE1 3.49Å; S48-E50 PolarHBondContact OG-OE1 3.36Å; S48-W59 PolarHBondContact O-NE1 3.4Å
49R95.6Very high93.5Very high140 Ų14064.6 Ų64.653%0.52834%0.337SS..  trans-96.4120.5171.1-79.4170.5166.593.1-5.9107.1V30 F32 E90V30-R49 HydrophobicContact CG1-CB 3.66Å; V30-R49 HydrophobicContact CG1-CG 4.24Å; F32-R49 HydrophobicContact CB-CG 4.17Å; F32-R49 HydrophobicContact CD1-CG 4.41Å; F32-R49 HydrophobicContact CG-CG 4.46Å; R49-E90 WeakPolarHBondContact CD-OE2 3.44Å; R49-E90 IonicContact CZ-OE2 3.54Å; R49-E90 IonicContact NE-OE2 2.72Å; R49-E90 PolarHBondContact NE-OE2 2.65Å; R49-E90 IonicContact NH2-OE2 3.83Å
50E95.9Very high93.8Very high66 Ų6668.3 Ų68.331%0.30835%0.349SS..EExtended strand (participates in β ladder)trans-128.9144.7-174-56.2-62.116500109.4V30 L31 S48 V57 W59V30-E50 CarbonylContact C-O 3.52Å; V30-E50 WeakPolarHBondContact CA-O 3.28Å; L31-E50 PolarHBondContact N-O 3.19Å; L31-E50 PolarHBondContact O-N 3.13Å; L31-E50 VanDerWaalsContact O-N 3.07Å; S48-E50 WeakPolarHBondContact CB-OE1 3.49Å; S48-E50 PolarHBondContact OG-OE1 3.36Å; E50-V57 HydrophobicContact CB-CG1 3.51Å; E50-V57 HydrophobicContact CG-CG1 4.39Å; E50-W59 HydrophobicContact CG-CG 4.08Å
51E94.4Very high94.5Very high128 Ų12870.4 Ų70.460%0.59835%0.35SS*.EExtended strand (participates in β ladder)trans-78.1150.3177.7-72.8178166.700111.8G29 V30 Q53G29-E51 WeakPolarHBondContact O-CA 3.11Å; V30-E51 HydrophobicContact CG2-CG 3.93Å; E51-Q53 PolarHBondContact O-N 3.08Å
52V93.5Very high94.8Very high12 Ų1275.5 Ų75.57%0.07337%0.365CS..  trans-71.9124.6167.1-1760000108.9V24 F26 V27 G29 L31 C56 V57V24-V52 HydrophobicContact CB-CG1 4.28Å; V24-V52 HydrophobicContact CG1-CG1 4.23Å; V24-V52 HydrophobicContact CG1-CG2 3.99Å; F26-V52 WeakPolarHBondContact O-CG1 3.22Å; V27-V52 WeakPolarHBondContact O-CB 3.32Å; G29-V52 PolarHBondContact O-N 2.8Å; L31-V52 HydrophobicContact CD1-CG2 4.2Å; L31-V52 HydrophobicContact CG-CG2 3.99Å; V52-C56 WeakPolarHBondContact CA-O 3.43Å; V52-V57 HydrophobicContact CB-CG2 4.19Å; V52-V57 HydrophobicContact CG2-CG2 3.63Å
53Q90.8Very high95.1Very high111 Ų11169 Ų6952%0.51933%0.33SS..BIsolated β-bridgetrans-131.5130.9175-63.2178.1-4.200107.2E51 N55 C56E51-Q53 PolarHBondContact O-N 3.08Å; Q53-N55 PolarHBondContact O-N 2.78Å; Q53-N55 VanDerWaalsContact O-N 3.17Å; Q53-C56 PolarHBondContact N-O 3.46Å; Q53-C56 CarbonylContact O-C 3.51Å; Q53-C56 WeakPolarHBondContact O-CA 3.09Å; Q53-C56 WeakPolarHBondContact O-CB 3.49Å; Q53-C56 PolarHBondContact O-N 3.43Å
54E89.9Confident95.1Very high148 Ų14870.5 Ų70.569%0.69234%0.343SS*.THydrogen-bonded Turntrans57.333176.8-49171.4130.400113.6C56 R58E54-C56 PolarHBondContact O-N 3Å; E54-R58 IonicContact OE2-CZ 3.52Å; E54-R58 IonicContact OE2-NH1 3.37Å; E54-R58 PolarHBondContact OE2-NH1 2.96Å; E54-R58 IonicContact OE2-NH2 2.68Å; E54-R58 PolarHBondContact OE2-NH2 3.33Å
55N90.7Very high95.1Very high72 Ų7268.7 Ų68.739%0.38533%0.325SS..THydrogen-bonded Turntrans58.526.4-171.4-54.6-42.4000114A23 V24 Q53A23-N55 PolarHBondContact N-O 2.93Å; A23-N55 VanDerWaalsContact N-O 3.17Å; V24-N55 PolarHBondContact N-O 3.22Å; V24-N55 WeakPolarHBondContact O-CB 3.04Å; Q53-N55 PolarHBondContact O-N 2.78Å; Q53-N55 VanDerWaalsContact O-N 3.17Å
56C91.6Very high95.1Very high9 Ų970 Ų706%0.06133%0.332CS..BIsolated β-bridgetrans-131155.9-179.8-175.70000111L21 V52 Q53 E54L21-C56 CarbonylContact O-C 3.57Å; L21-C56 WeakPolarHBondContact O-CA 3.5Å; L21-C56 PolarHBondContact O-SG 3.31Å; L21-C56 VanDerWaalsContact O-SG 3.35Å; V52-C56 WeakPolarHBondContact CA-O 3.43Å; Q53-C56 PolarHBondContact N-O 3.46Å; Q53-C56 CarbonylContact O-C 3.51Å; Q53-C56 WeakPolarHBondContact O-CA 3.09Å; Q53-C56 WeakPolarHBondContact O-CB 3.49Å; Q53-C56 PolarHBondContact O-N 3.43Å; E54-C56 PolarHBondContact O-N 3Å
57V95Very high95Very high1 Ų166.1 Ų66.11%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-133128.5167.4-178.90000108.5E20 L21 L31 E50 V52 W59E20-V57 CarbonylContact C-O 3.56Å; E20-V57 WeakPolarHBondContact CA-O 3.13Å; E20-V57 VanDerWaalsContact CB-O 3.32Å; E20-V57 WeakPolarHBondContact CB-O 3.49Å; L21-V57 PolarHBondContact N-O 3.38Å; L21-V57 PolarHBondContact O-N 3.07Å; L31-V57 HydrophobicContact CB-CG1 4.45Å; L31-V57 HydrophobicContact CB-CG2 4.14Å; L31-V57 HydrophobicContact CD1-CG2 3.79Å; L31-V57 HydrophobicContact CG-CG2 3.97Å; E50-V57 HydrophobicContact CB-CG1 3.51Å; E50-V57 HydrophobicContact CG-CG1 4.39Å; V52-V57 HydrophobicContact CB-CG2 4.19Å; V52-V57 HydrophobicContact CG2-CG2 3.63Å; V57-W59 HydrophobicContact CB-CH2 4.12Å; V57-W59 HydrophobicContact CB-CZ2 4.08Å; V57-W59 HydrophobicContact CG1-CD2 4.03Å; V57-W59 HydrophobicContact CG1-CE3 4.46Å; V57-W59 HydrophobicContact CG1-CH2 4.04Å; V57-W59 HydrophobicContact CG1-CZ2 3.53Å; V57-W59 HydrophobicContact CG1-CZ3 4.48Å
58R95.8Very high94.9Very high104 Ų10471.5 Ų71.539%0.39233%0.333SS..EExtended strand (participates in β ladder)trans-120.390.9-171.6-56.3175.7-172.4127.91.8110.9E19 E20 E54E19-R58 CarbonylContact O-C 3.48Å; E20-R58 HydrophobicContact CB-CB 4.43Å; E20-R58 HydrophobicContact CB-CG 4.11Å; E54-R58 IonicContact OE2-CZ 3.52Å; E54-R58 IonicContact OE2-NH1 3.37Å; E54-R58 PolarHBondContact OE2-NH1 2.96Å; E54-R58 IonicContact OE2-NH2 2.68Å; E54-R58 PolarHBondContact OE2-NH2 3.33Å
59W96.6Very high94.8Very high13 Ų1369.9 Ų69.95%0.04932%0.321CS..EExtended strand (participates in β ladder)trans-77.7-32.9-180-59.9-81.6000113.9L18 E19 L21 L31 C33 S47 S48 E50 V57 K61 L137L18-W59 HydrophobicContact CD1-CE3 3.93Å; L18-W59 HydrophobicContact CD1-CZ3 4.19Å; L18-W59 HydrophobicContact CD2-CB 3.85Å; L18-W59 HydrophobicContact CD2-CD2 3.68Å; L18-W59 HydrophobicContact CD2-CE3 3.78Å; L18-W59 HydrophobicContact CD2-CG 3.71Å; L18-W59 HydrophobicContact CG-CB 4.08Å; L18-W59 HydrophobicContact CG-CD2 4.05Å; L18-W59 HydrophobicContact CG-CE3 3.65Å; L18-W59 HydrophobicContact CG-CG 4.25Å; L18-W59 HydrophobicContact CG-CZ3 4.4Å; E19-W59 PolarHBondContact O-N 3.16Å; L21-W59 HydrophobicContact CB-CH2 3.63Å; L21-W59 HydrophobicContact CB-CZ3 3.6Å; L21-W59 HydrophobicContact CD2-CH2 4.21Å; L31-W59 HydrophobicContact CB-CZ2 3.98Å; L31-W59 PolarHBondContact O-NE1 3.25Å; C33-W59 VanDerWaalsContact SG-CH2 3.56Å; S47-W59 PolarHBondContact OG-NE1 2.88Å; S48-W59 PolarHBondContact O-NE1 3.4Å; E50-W59 HydrophobicContact CG-CG 4.08Å; V57-W59 HydrophobicContact CB-CH2 4.12Å; V57-W59 HydrophobicContact CB-CZ2 4.08Å; V57-W59 HydrophobicContact CG1-CD2 4.03Å; V57-W59 HydrophobicContact CG1-CE3 4.46Å; V57-W59 HydrophobicContact CG1-CH2 4.04Å; V57-W59 HydrophobicContact CG1-CZ2 3.53Å; V57-W59 HydrophobicContact CG1-CZ3 4.48Å; W59-K61 HydrophobicContact CB-CB 4.37Å; W59-K61 PolarHBondContact O-N 3.38Å; W59-L137 HydrophobicContact CZ3-CD1 4.09Å
60K95.3Very high94.7Very high157 Ų15764.9 Ų64.968%0.68331%0.308SS*.EExtended strand (participates in β ladder)trans45.429.4-176.8-60.5-178.3178.8179.20114.4L18 E19L18-K60 CarbonylContact O-C 3.47Å; L18-K60 VanDerWaalsContact O-CA 3.27Å; L18-K60 WeakPolarHBondContact O-CA 3.33Å; L18-K60 PolarHBondContact O-N 2.64Å; E19-K60 PolarHBondContact O-N 2.8Å
61K96.8Very high94.6Very high74 Ų7461.8 Ų61.832%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-97.8121.3-167.2-173.3175.9176.4179.50111.4L18 L46 W59 F63L18-K61 PolarHBondContact N-O 2.88Å; L18-K61 PolarHBondContact O-N 3.48Å; L46-K61 PolarHBondContact O-NZ 2.75Å; W59-K61 HydrophobicContact CB-CB 4.37Å; W59-K61 PolarHBondContact O-N 3.38Å; K61-F63 HydrophobicContact CB-CE2 4.15Å; K61-F63 HydrophobicContact CD-CE1 4.14Å; K61-F63 HydrophobicContact CD-CE2 4.12Å; K61-F63 HydrophobicContact CD-CZ 3.64Å; K61-F63 HydrophobicContact CG-CE2 3.94Å; K61-F63 HydrophobicContact CG-CZ 3.99Å; K61-F63 WeakPolarHBondContact O-CD2 3.37Å; K61-F63 WeakPolarHBondContact O-CE2 3.49Å
62K97.2Very high94.4Very high132 Ų13258.7 Ų58.757%0.57428%0.281SS*.EExtended strand (participates in β ladder)trans-84.5138.9173.9-166172.9-172.8172.40111.6S15 F16S15-K62 WeakPolarHBondContact OG-CE 3.02Å; S15-K62 PolarHBondContact OG-NZ 3.41Å; F16-K62 CarbonylContact O-C 3.59Å
63F97.3Very high94Very high13 Ų1360.6 Ų60.66%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-126.6143.4171.9-56.8-96.7000108.4F16 L18 I35 F43 S45 L46 K61F16-F63 HydrophobicContact CB-CB 4.48Å; F16-F63 HydrophobicContact CD1-CD2 4.16Å; F16-F63 PolarHBondContact N-O 2.72Å; F16-F63 PolarHBondContact O-N 3.22Å; L18-F63 HydrophobicContact CB-CE2 3.99Å; L18-F63 HydrophobicContact CD2-CE2 4.46Å; I35-F63 HydrophobicContact CD1-CD2 4.5Å; I35-F63 HydrophobicContact CD1-CE1 4.14Å; I35-F63 HydrophobicContact CD1-CE2 3.73Å; I35-F63 HydrophobicContact CD1-CZ 3.5Å; I35-F63 HydrophobicContact CG1-CE2 4.27Å; I35-F63 HydrophobicContact CG1-CZ 4.38Å; F43-F63 HydrophobicContact CZ-CB 4.2Å; F43-F63 HydrophobicContact CZ-CD1 4.19Å; S45-F63 WeakPolarHBondContact OG-CE1 3.44Å; L46-F63 WeakPolarHBondContact O-CE1 3.47Å; K61-F63 HydrophobicContact CB-CE2 4.15Å; K61-F63 HydrophobicContact CD-CE1 4.14Å; K61-F63 HydrophobicContact CD-CE2 4.12Å; K61-F63 HydrophobicContact CD-CZ 3.64Å; K61-F63 HydrophobicContact CG-CE2 3.94Å; K61-F63 HydrophobicContact CG-CZ 3.99Å; K61-F63 WeakPolarHBondContact O-CD2 3.37Å; K61-F63 WeakPolarHBondContact O-CE2 3.49Å
64T96.7Very high93.8Very high79 Ų7959.5 Ų59.549%0.48530%0.304SS..EExtended strand (participates in β ladder)trans-128.4124.8176.4-550000108.6Q13 T14Q13-T64 HydrophobicContact CG-CG2 3.94Å; T14-T64 WeakPolarHBondContact O-CA 3.33Å
65F96.7Very high93.7Very high13 Ų1355.9 Ų55.96%0.05729%0.292CS..EExtended strand (participates in β ladder)trans-147.5168.6178.959.7-90.6000111.3T14 F16 L37 F43 C67 L107T14-F65 HydrophobicContact CG2-CE1 4.14Å; T14-F65 HydrophobicContact CG2-CE2 4.06Å; T14-F65 HydrophobicContact CG2-CZ 3.7Å; T14-F65 PolarHBondContact N-O 2.87Å; T14-F65 PolarHBondContact O-N 3.06Å; F16-F65 HydrophobicContact CB-CE1 3.78Å; F16-F65 HydrophobicContact CB-CZ 4.49Å; F16-F65 HydrophobicContact CG-CE1 4.42Å; L37-F65 HydrophobicContact CD1-CE2 4.33Å; L37-F65 HydrophobicContact CD2-CD2 4.26Å; L37-F65 HydrophobicContact CD2-CE2 4.2Å; F43-F65 HydrophobicContact CB-CB 4.1Å; F43-F65 HydrophobicContact CB-CD2 4.24Å; F43-F65 HydrophobicContact CB-CG 4.21Å; F43-F65 HydrophobicContact CD1-CB 4.02Å; F43-F65 AromaticContact CD1-CD1 3.51Å; F43-F65 HydrophobicContact CD1-CD1 3.51Å; F43-F65 HydrophobicContact CD1-CD2 4.06Å; F43-F65 AromaticContact CD1-CE1 3.87Å; F43-F65 HydrophobicContact CD1-CE1 3.87Å; F43-F65 HydrophobicContact CD1-CE2 4.39Å; F43-F65 AromaticContact CD1-CG 3.61Å; F43-F65 HydrophobicContact CD1-CG 3.61Å; F43-F65 HydrophobicContact CD1-CZ 4.29Å; F43-F65 HydrophobicContact CD2-CB 3.53Å; F43-F65 HydrophobicContact CD2-CD1 4.38Å; F43-F65 HydrophobicContact CD2-CG 4.08Å; F43-F65 HydrophobicContact CE1-CB 4.34Å; F43-F65 AromaticContact CE1-CD1 3.36Å; F43-F65 HydrophobicContact CE1-CD1 3.36Å; F43-F65 AromaticContact CE1-CE1 3.71Å; F43-F65 HydrophobicContact CE1-CE1 3.71Å; F43-F65 AromaticContact CE1-CG 3.93Å; F43-F65 HydrophobicContact CE1-CG 3.93Å; F43-F65 HydrophobicContact CE2-CB 3.88Å; F43-F65 HydrophobicContact CE2-CD1 4.25Å; F43-F65 HydrophobicContact CE2-CG 4.36Å; F43-F65 HydrophobicContact CG-CB 3.6Å; F43-F65 HydrophobicContact CG-CD1 4.02Å; F43-F65 HydrophobicContact CG-CD2 4.16Å; F43-F65 AromaticContact CG-CG 3.69Å; F43-F65 HydrophobicContact CG-CG 3.69Å; F43-F65 HydrophobicContact CZ-CB 4.26Å; F43-F65 AromaticContact CZ-CD1 3.76Å; F43-F65 HydrophobicContact CZ-CD1 3.76Å; F43-F65 HydrophobicContact CZ-CE1 4.47Å; F43-F65 HydrophobicContact CZ-CG 4.29Å; F65-C67 HydrophobicContact CE2-CB 4.47Å; F65-L107 HydrophobicContact CE2-CD1 3.85Å; F65-L107 HydrophobicContact CZ-CD1 4.07Å
66V96.3Very high93.6Very high65 Ų6553.2 Ų53.239%0.39428%0.282SS..EExtended strand (participates in β ladder)trans-108123.7177.1178.30000109.5K11 F12 L146K11-V66 HydrophobicContact CB-CG1 4.19Å; F12-V66 VanDerWaalsContact O-CA 3.3Å; F12-V66 WeakPolarHBondContact O-CA 3.49Å; V66-L146 HydrophobicContact CG1-CD1 4.22Å; V66-L146 HydrophobicContact CG2-CD1 3.8Å
67C94.7Very high93.7Very high0 Ų055.8 Ų55.80%030%0.295CS..EExtended strand (participates in β ladder)trans-105.7138.2170.266.30000111.1K11 F12 T14 L37 F65 L107K11-C67 WeakPolarHBondContact CA-O 3.27Å; F12-C67 PolarHBondContact N-O 3.17Å; F12-C67 PolarHBondContact O-N 2.56Å; T14-C67 PolarHBondContact OG1-SG 2.95Å; L37-C67 HydrophobicContact CD1-CB 4.37Å; L37-C67 HydrophobicContact CD2-CB 3.86Å; F65-C67 HydrophobicContact CE2-CB 4.47Å; C67-L107 HydrophobicContact CB-CD1 4.16Å
68K95.3Very high93.7Very high125 Ų12555.8 Ų55.854%0.54329%0.294SS..EExtended strand (participates in β ladder)trans-105.6100.9-178.7-54.8163.3-171.7161.10108F10 K11 G40F10-K68 CarbonylContact O-C 3.55Å; F10-K68 WeakPolarHBondContact O-CA 3.38Å; K11-K68 HydrophobicContact CG-CG 4.41Å; G40-K68 WeakPolarHBondContact CA-O 3.49Å; G40-K68 VanDerWaalsContact O-CB 3.26Å; G40-K68 WeakPolarHBondContact O-CB 3.5Å; G40-K68 WeakPolarHBondContact O-CG 3.32Å; G40-K68 PolarHBondContact O-N 3.46Å
69I95.3Very high93.6Very high5 Ų552.5 Ų52.53%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-101.9145-177.4-48.8-174.6000108.1F10 F12 L78 D79 C81 A108 M143F10-I69 WeakPolarHBondContact CD2-O 3.41Å; F10-I69 PolarHBondContact N-O 3.27Å; F10-I69 PolarHBondContact O-N 2.83Å; F10-I69 VanDerWaalsContact O-O 3.12Å; F12-I69 HydrophobicContact CD2-CB 4.38Å; F12-I69 HydrophobicContact CD2-CD1 3.86Å; F12-I69 HydrophobicContact CD2-CG1 4.05Å; F12-I69 HydrophobicContact CE2-CB 4.22Å; F12-I69 HydrophobicContact CE2-CD1 4.09Å; F12-I69 HydrophobicContact CE2-CG1 4.32Å; I69-L78 HydrophobicContact CB-CD2 4.4Å; I69-L78 HydrophobicContact CG2-CB 4.02Å; I69-L78 HydrophobicContact CG2-CD2 3.9Å; I69-L78 HydrophobicContact CG2-CG 4.38Å; I69-D79 VanDerWaalsContact CG2-O 3.3Å; I69-D79 WeakPolarHBondContact CG2-O 3.45Å; I69-C81 HydrophobicContact CD1-CB 3.77Å; I69-C81 HydrophobicContact CG1-CB 3.84Å; I69-C81 HydrophobicContact CG2-CB 4.36Å; I69-A108 HydrophobicContact CD1-CB 4.41Å; I69-A108 HydrophobicContact CG2-CB 4.47Å; I69-M143 HydrophobicContact CD1-CE 3.88Å
70S93.6Very high93.4Very high35 Ų3555.8 Ų55.825%0.24531%0.308CS..EExtended strand (participates in β ladder)trans-107.8164.8168.947.20000111.1K8 L78 D79K8-S70 CarbonylContact O-C 3.51Å; K8-S70 WeakPolarHBondContact O-CA 3.37Å; K8-S70 WeakPolarHBondContact O-CB 3.21Å; S70-L78 CarbonylContact O-C 3.58Å; S70-L78 WeakPolarHBondContact O-CA 3.38Å; S70-D79 VanDerWaalsContact C-OD2 3.26Å; S70-D79 VanDerWaalsContact CB-OD2 3.28Å; S70-D79 WeakPolarHBondContact CB-OD2 3.47Å; S70-D79 WeakPolarHBondContact O-CB 3.35Å; S70-D79 PolarHBondContact O-N 3.47Å; S70-D79 PolarHBondContact OG-OD2 3.36Å
71A93.8Very high93.4Very high1 Ų148.4 Ų48.41%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-120153.9170.200000111.5K8 F10 L77 L78K8-A71 PolarHBondContact O-N 3.04Å; F10-A71 HydrophobicContact CE2-CB 3.48Å; F10-A71 VanDerWaalsContact CE2-CB 3.48Å; F10-A71 HydrophobicContact CZ-CB 4Å; A71-L77 CarbonylContact C-O 3.5Å; A71-L77 VanDerWaalsContact CA-O 3.24Å; A71-L77 WeakPolarHBondContact CA-O 3.29Å; A71-L77 WeakPolarHBondContact CB-O 3.27Å; A71-L78 HydrophobicContact CB-CD2 4.35Å
72N90Very high93.3Very high63 Ų6346.7 Ų46.734%0.33727%0.27SS..  trans-59.5120.5162.6179-23000109.1A74 T75 G76 L77N72-A74 PolarHBondContact O-N 3Å; N72-A74 PolarHBondContact OD1-N 3.34Å; N72-T75 WeakPolarHBondContact CB-OG1 3.38Å; N72-T75 PolarHBondContact O-N 2.87Å; N72-G76 WeakPolarHBondContact O-CA 3.43Å; N72-G76 PolarHBondContact O-N 2.89Å; N72-L77 PolarHBondContact N-O 3.46Å
73P85.5Confident93.3Very high53 Ų5340.4 Ų40.434%0.34424%0.243SC..THydrogen-bonded Turntrans-68.6-20.9-174.128.4-35.2000113.5M5M5-P73 HydrophobicContact CB-CB 4.03Å; M5-P73 HydrophobicContact CB-CG 3.91Å; M5-P73 HydrophobicContact SD-CB 4.26Å; M5-P73 HydrophobicContact SD-CG 4.37Å
74A86.2Confident93.2Very high87 Ų8743.3 Ų43.372%0.71925%0.253SS*.THydrogen-bonded Turntrans-86.2-34.1-179.400000113.3N72N72-A74 PolarHBondContact O-N 3Å; N72-A74 PolarHBondContact OD1-N 3.34Å
75T88.1Confident93.2Very high72 Ų7239.5 Ų39.544%0.44223%0.23SC..THydrogen-bonded Turntrans-106-17.2-175.762.70000114.1N72 L77N72-T75 WeakPolarHBondContact CB-OG1 3.38Å; N72-T75 PolarHBondContact O-N 2.87Å; T75-L77 PolarHBondContact O-N 3.17Å; T75-L77 WeakPolarHBondContact OG1-CB 3.35Å; T75-L77 PolarHBondContact OG1-N 3.14Å
76G88Confident93.2Very high17 Ų1739.1 Ų39.118%0.17523%0.228CC..  trans73.82.3-172.100000114.5N72 K153N72-G76 WeakPolarHBondContact O-CA 3.43Å; N72-G76 PolarHBondContact O-N 2.89Å; G76-K153 PolarHBondContact O-N 3.47Å
77L93.2Very high93.1Very high63 Ų6336 Ų3633%0.3321%0.21SC..BIsolated β-bridgetrans-78.2129.6-177.6-174.4139000111.4A71 N72 T75 K153 P155A71-L77 CarbonylContact C-O 3.5Å; A71-L77 VanDerWaalsContact CA-O 3.24Å; A71-L77 WeakPolarHBondContact CA-O 3.29Å; A71-L77 WeakPolarHBondContact CB-O 3.27Å; N72-L77 PolarHBondContact N-O 3.46Å; T75-L77 PolarHBondContact O-N 3.17Å; T75-L77 WeakPolarHBondContact OG1-CB 3.35Å; T75-L77 PolarHBondContact OG1-N 3.14Å; L77-K153 CarbonylContact C-O 3.55Å; L77-K153 WeakPolarHBondContact CA-O 3.06Å; L77-K153 HydrophobicContact CB-CB 4.45Å; L77-P155 HydrophobicContact CD2-CG 4.41Å
78L94.5Very high93Very high0 Ų037.5 Ų37.50%022%0.215CC..BIsolated β-bridgetrans-62.6130.5177.1-68.3175.7000111.1F10 F12 I69 S70 A71 A108 A111 F152 K153 T154F10-L78 HydrophobicContact CD2-CD2 3.54Å; F10-L78 HydrophobicContact CE2-CD2 3.8Å; F10-L78 HydrophobicContact CG-CD2 4.13Å; F12-L78 HydrophobicContact CE2-CD1 4.26Å; F12-L78 HydrophobicContact CE2-CD2 4.39Å; F12-L78 HydrophobicContact CZ-CD1 4.22Å; I69-L78 HydrophobicContact CB-CD2 4.4Å; I69-L78 HydrophobicContact CG2-CB 4.02Å; I69-L78 HydrophobicContact CG2-CD2 3.9Å; I69-L78 HydrophobicContact CG2-CG 4.38Å; S70-L78 CarbonylContact O-C 3.58Å; S70-L78 WeakPolarHBondContact O-CA 3.38Å; A71-L78 HydrophobicContact CB-CD2 4.35Å; L78-A108 HydrophobicContact CB-CB 3.95Å; L78-A108 HydrophobicContact CD1-CB 4.45Å; L78-A111 HydrophobicContact CD1-CB 3.59Å; L78-F152 HydrophobicContact CD1-CD2 3.58Å; L78-F152 HydrophobicContact CD1-CE2 3.91Å; L78-F152 HydrophobicContact CD1-CG 4.33Å; L78-F152 HydrophobicContact CD2-CB 4.19Å; L78-F152 HydrophobicContact CD2-CD2 4.38Å; L78-F152 HydrophobicContact CD2-CG 4.36Å; L78-F152 HydrophobicContact CG-CB 4.29Å; L78-F152 HydrophobicContact CG-CD2 3.91Å; L78-F152 HydrophobicContact CG-CG 4.34Å; L78-K153 PolarHBondContact N-O 2.84Å; L78-T154 HydrophobicContact CD1-CG2 4.49Å
79D93.8Very high92.9Very high36 Ų3633.3 Ų33.319%0.19320%0.197CC..PPolyproline II helixtrans-60.6144.5168.8-62-58.1000109.7K7 I69 S70 A108K7-D79 WeakPolarHBondContact CD-OD2 3.47Å; K7-D79 IonicContact NZ-OD1 2.72Å; K7-D79 PolarHBondContact NZ-OD1 3.13Å; K7-D79 IonicContact NZ-OD2 2.76Å; K7-D79 PolarHBondContact NZ-OD2 2.88Å; I69-D79 VanDerWaalsContact CG2-O 3.3Å; I69-D79 WeakPolarHBondContact CG2-O 3.45Å; S70-D79 VanDerWaalsContact C-OD2 3.26Å; S70-D79 VanDerWaalsContact CB-OD2 3.28Å; S70-D79 WeakPolarHBondContact CB-OD2 3.47Å; S70-D79 WeakPolarHBondContact O-CB 3.35Å; S70-D79 PolarHBondContact O-N 3.47Å; S70-D79 PolarHBondContact OG-OD2 3.36Å; D79-A108 WeakPolarHBondContact O-CB 3.13Å
80P93.8Very high92.8Very high82 Ų8234.8 Ų34.853%0.53220%0.204SC..PPolyproline II helixtrans-55.1143.7175.6-26.535.3000113.1I82 N106P80-I82 HydrophobicContact CB-CD1 4.34Å; P80-N106 WeakPolarHBondContact CA-OD1 3.49Å
81C94.9Very high92.6Very high1 Ų137 Ų371%0.00721%0.212CC..  trans-135.591-177.8177.10000109D39 I69 N106 L107D39-C81 PolarHBondContact O-SG 2.83Å; I69-C81 HydrophobicContact CD1-CB 3.77Å; I69-C81 HydrophobicContact CG1-CB 3.84Å; I69-C81 HydrophobicContact CG2-CB 4.36Å; C81-N106 PolarHBondContact N-OD1 2.81Å; C81-L107 HydrophobicContact CB-CB 4.24Å; C81-L107 WeakPolarHBondContact O-CB 3.36Å; C81-L107 PolarHBondContact O-N 2.84Å
82I95.4Very high92.4Very high39 Ų3945.2 Ų45.220%0.225%0.248CC..EExtended strand (participates in β ladder)trans-82.4126.3-167.5-52-53.7000111.6L38 P80 D104 N106L38-I82 HydrophobicContact CB-CB 4.42Å; L38-I82 WeakPolarHBondContact CB-O 3.35Å; L38-I82 HydrophobicContact CD1-CB 4.32Å; L38-I82 HydrophobicContact CD1-CG2 3.93Å; L38-I82 HydrophobicContact CG-CG2 4.5Å; L38-I82 PolarHBondContact N-O 3.47Å; P80-I82 HydrophobicContact CB-CD1 4.34Å; I82-D104 HydrophobicContact CG2-CB 3.74Å; I82-N106 HydrophobicContact CD1-CB 3.95Å
83C96.1Very high92.1Very high0 Ų045.1 Ų45.10%026%0.262CS..EExtended strand (participates in β ladder)trans-109.7115.6167.3-169.70000109.7R36 L37 L105 L107R36-C83 CarbonylContact O-C 3.59Å; R36-C83 WeakPolarHBondContact O-CA 3Å; R36-C83 PolarHBondContact O-SG 3.46Å; L37-C83 HydrophobicContact CD1-CB 4.39Å; C83-L105 PolarHBondContact N-O 3.03Å; C83-L105 PolarHBondContact O-N 3.14Å; C83-L107 HydrophobicContact CB-CD1 3.97Å; C83-L107 HydrophobicContact CB-CD2 3.98Å; C83-L107 HydrophobicContact CB-CG 3.85Å
84R96Very high92.2Very high73 Ų7344.3 Ų44.328%0.27526%0.264SS..EExtended strand (participates in β ladder)trans-95.6122-179-179.9164.6-66.3177.90.5110.8R36 L38 F102 A103 D104R36-R84 PolarHBondContact N-O 3.3Å; R36-R84 PolarHBondContact O-N 3Å; L38-R84 HydrophobicContact CD1-CB 4.02Å; L38-R84 HydrophobicContact CD2-CB 4.2Å; L38-R84 HydrophobicContact CG-CB 4.09Å; R84-F102 HydrophobicContact CG-CB 4.17Å; R84-F102 HydrophobicContact CG-CD2 4.21Å; R84-A103 WeakPolarHBondContact CA-O 3.43Å; R84-D104 WeakPolarHBondContact CA-OD1 3.47Å; R84-D104 WeakPolarHBondContact CB-OD1 3.4Å; R84-D104 WeakPolarHBondContact CD-OD1 3.16Å; R84-D104 WeakPolarHBondContact CG-OD1 3.03Å; R84-D104 IonicContact CZ-OD1 3.62Å; R84-D104 IonicContact CZ-OD2 3.35Å; R84-D104 IonicContact NE-OD1 2.72Å; R84-D104 PolarHBondContact NE-OD1 2.99Å; R84-D104 IonicContact NE-OD2 3.23Å; R84-D104 PolarHBondContact NE-OD2 3.26Å; R84-D104 IonicContact NH2-OD1 3.68Å; R84-D104 IonicContact NH2-OD2 2.66Å; R84-D104 PolarHBondContact NH2-OD2 2.89Å
85V96.9Very high92.3Very high0 Ų048.9 Ų48.90%027%0.267CS..EExtended strand (participates in β ladder)trans-99.7110.4168.9-170.90000108.5F16 L18 C33 I35 F102 A103 L105 L137F16-V85 HydrophobicContact CE1-CG2 4.32Å; F16-V85 HydrophobicContact CE2-CG2 4.46Å; F16-V85 HydrophobicContact CZ-CG2 3.64Å; L18-V85 HydrophobicContact CD1-CG1 4.43Å; C33-V85 HydrophobicContact CB-CG1 3.89Å; I35-V85 HydrophobicContact CG1-CG1 4.47Å; V85-F102 CarbonylContact O-C 3.59Å; V85-F102 WeakPolarHBondContact O-CA 3.46Å; V85-F102 WeakPolarHBondContact O-CB 3.39Å; V85-A103 PolarHBondContact N-O 3.38Å; V85-A103 PolarHBondContact O-N 3.19Å; V85-L105 HydrophobicContact CG2-CD1 4.07Å; V85-L137 HydrophobicContact CB-CD2 3.87Å; V85-L137 HydrophobicContact CG1-CD2 3.82Å; V85-L137 HydrophobicContact CG2-CD2 4.33Å
86S95.4Very high92.5Very high4 Ų448 Ų483%0.02826%0.262CS..EExtended strand (participates in β ladder)trans-95.7113.2176.2-39.60000110.8C33 K34 Y125C33-S86 CarbonylContact C-O 3.59Å; C33-S86 WeakPolarHBondContact CA-O 3.1Å; K34-S86 PolarHBondContact N-O 2.82Å; K34-S86 PolarHBondContact O-N 2.93Å; S86-Y125 WeakPolarHBondContact CB-OH 3.37Å; S86-Y125 PolarHBondContact OG-OH 2.87Å
87V94.1Very high92.7Very high0 Ų052.8 Ų52.80%028%0.275CS..EExtended strand (participates in β ladder)trans-81.2133.7175.2-177.60000110.1L21 L31 L100 G101 L122L21-V87 HydrophobicContact CD2-CG1 3.87Å; L21-V87 HydrophobicContact CD2-CG2 4.5Å; L31-V87 HydrophobicContact CD1-CG1 4.33Å; V87-L100 HydrophobicContact CG1-CB 4.39Å; V87-L100 HydrophobicContact CG1-CD1 4.19Å; V87-L100 PolarHBondContact O-N 2.91Å; V87-G101 PolarHBondContact N-O 2.83Å; V87-L122 HydrophobicContact CB-CD1 3.95Å; V87-L122 HydrophobicContact CB-CD2 4.46Å; V87-L122 HydrophobicContact CG1-CD1 4.25Å; V87-L122 HydrophobicContact CG2-CD1 3.79Å; V87-L122 HydrophobicContact CG2-CD2 3.61Å; V87-L122 HydrophobicContact CG2-CG 4.38Å
88R93.3Very high92.6Very high31 Ų3152 Ų5212%0.11728%0.276CS..EExtended strand (participates in β ladder)trans-133.1137.5-174.5-61.4169.1-178.8-135.5-10.5110.5L31 F32 Y97 S98L31-R88 WeakPolarHBondContact CA-O 3.36Å; F32-R88 HydrophobicContact CD1-CB 4.15Å; F32-R88 HydrophobicContact CD2-CB 4.31Å; F32-R88 HydrophobicContact CE1-CB 3.81Å; F32-R88 HydrophobicContact CE2-CB 3.99Å; F32-R88 VanDerWaalsContact CE2-CD 3.48Å; F32-R88 HydrophobicContact CE2-CG 4.36Å; F32-R88 HydrophobicContact CG-CB 4.39Å; F32-R88 HydrophobicContact CZ-CB 3.72Å; F32-R88 HydrophobicContact CZ-CG 4.4Å; F32-R88 PolarHBondContact N-O 2.59Å; F32-R88 WeakPolarHBondContact O-CB 3.47Å; F32-R88 PolarHBondContact O-N 2.87Å; R88-Y97 HydrophobicContact CB-CD2 4.29Å; R88-Y97 HydrophobicContact CG-CD2 4.1Å; R88-Y97 PolarHBondContact NH1-OH 2.68Å; R88-Y97 VanDerWaalsContact NH1-OH 3.07Å; R88-S98 CarbonylContact C-O 3.49Å; R88-S98 WeakPolarHBondContact CA-O 3.5Å; R88-S98 WeakPolarHBondContact CB-O 3.25Å
89K92.1Very high92.5Very high37 Ų3757 Ų5716%0.16130%0.297CS..EExtended strand (participates in β ladder)trans-99.3131.6172.1-178.8162.1-175.9161.10109.5N28 L31 Y97 S98 L100N28-K89 PolarHBondContact O-NZ 2.84Å; L31-K89 HydrophobicContact CD2-CB 3.55Å; L31-K89 HydrophobicContact CD2-CD 4.16Å; L31-K89 HydrophobicContact CD2-CG 3.76Å; K89-Y97 CarbonylContact O-C 3.51Å; K89-Y97 VanDerWaalsContact O-CA 3.25Å; K89-Y97 WeakPolarHBondContact O-CA 3.4Å; K89-Y97 WeakPolarHBondContact O-CB 3.49Å; K89-S98 PolarHBondContact N-O 3.02Å; K89-S98 PolarHBondContact O-N 3.37Å; K89-L100 HydrophobicContact CB-CD1 4.14Å; K89-L100 HydrophobicContact CB-CD2 3.91Å; K89-L100 HydrophobicContact CB-CG 3.99Å
90E93.6Very high92.2Very high37 Ų3756 Ų5617%0.17329%0.292CS..EExtended strand (participates in β ladder)trans-70.6144.7175.4-172.4154.2113.900112V30 R49 G94V30-E90 HydrophobicContact CB-CB 4.04Å; V30-E90 WeakPolarHBondContact O-CB 3.47Å; V30-E90 PolarHBondContact O-N 3.37Å; R49-E90 WeakPolarHBondContact CD-OE2 3.44Å; R49-E90 IonicContact CZ-OE2 3.54Å; R49-E90 IonicContact NE-OE2 2.72Å; R49-E90 PolarHBondContact NE-OE2 2.65Å; R49-E90 IonicContact NH2-OE2 3.83Å; E90-G94 VanDerWaalsContact OE1-CA 3.3Å; E90-G94 WeakPolarHBondContact OE1-CA 3.39Å; E90-G94 PolarHBondContact OE1-N 2.77Å; E90-G94 WeakPolarHBondContact OE2-CA 3.19Å
91L90.8Very high92.1Very high80 Ų8052.1 Ų52.142%0.41927%0.267SS..EExtended strand (participates in β ladder)trans-137.1143.3178.3-66.1177.6000110.3G93 T96L91-G93 VanDerWaalsContact C-N 3.3Å; L91-G93 PolarHBondContact O-N 3.08Å; L91-T96 VanDerWaalsContact C-OG1 3.27Å; L91-T96 WeakPolarHBondContact CB-OG1 3.42Å; L91-T96 PolarHBondContact N-O 3.02Å; L91-T96 CarbonylContact O-C 3.48Å; L91-T96 PolarHBondContact O-N 2.98Å; L91-T96 PolarHBondContact O-OG1 3.28Å
92K89.2Confident92.1Very high174 Ų17453 Ų5376%0.75727%0.271SS*.THydrogen-bonded Turntrans58.733.8177.5-51-179.7-179.3-179.10114.4K95 T96K92-K95 HydrophobicContact CB-CB 4.48Å; K92-T96 HydrophobicContact CD-CG2 4.41Å; K92-T96 WeakPolarHBondContact CG-OG1 3.37Å
93G83.4Confident92Very high62 Ų6251.3 Ų51.364%0.63926%0.262SS*.THydrogen-bonded Turntrans6080.6177.100000112.7L91 K95L91-G93 VanDerWaalsContact C-N 3.3Å; L91-G93 PolarHBondContact O-N 3.08Å; G93-K95 PolarHBondContact O-N 2.96Å
94G86.8Confident91.9Very high36 Ų3654 Ų5437%0.37128%0.276SS..THydrogen-bonded Turntrans73.2-31.9-178.200000116.5E90 T96E90-G94 VanDerWaalsContact OE1-CA 3.3Å; E90-G94 WeakPolarHBondContact OE1-CA 3.39Å; E90-G94 PolarHBondContact OE1-N 2.77Å; E90-G94 WeakPolarHBondContact OE2-CA 3.19Å; G94-T96 PolarHBondContact O-N 2.66Å
95K88.8Confident91.8Very high182 Ų18251 Ų5179%0.79127%0.266SS*.THydrogen-bonded Turntrans-70.9-26-165.4-65.8174.1-174.2-179.80114.7K92 G93K92-K95 HydrophobicContact CB-CB 4.48Å; G93-K95 PolarHBondContact O-N 2.96Å
96T92.9Very high91.8Very high54 Ų5452.1 Ų52.133%0.33127%0.272SS..EExtended strand (participates in β ladder)trans-142.9166.7-179.548.50000111.3L91 K92 G94L91-T96 VanDerWaalsContact C-OG1 3.27Å; L91-T96 WeakPolarHBondContact CB-OG1 3.42Å; L91-T96 PolarHBondContact N-O 3.02Å; L91-T96 CarbonylContact O-C 3.48Å; L91-T96 PolarHBondContact O-N 2.98Å; L91-T96 PolarHBondContact O-OG1 3.28Å; K92-T96 HydrophobicContact CD-CG2 4.41Å; K92-T96 WeakPolarHBondContact CG-OG1 3.37Å; G94-T96 PolarHBondContact O-N 2.66Å
97Y92.6Very high91.7Very high117 Ų11751.9 Ų51.946%0.45927%0.271SS..EExtended strand (participates in β ladder)trans-145146.917563.6-88.7000112.1F32 R88 K89 K99F32-Y97 HydrophobicContact CZ-CD1 4.37Å; F32-Y97 HydrophobicContact CZ-CG 4.03Å; R88-Y97 HydrophobicContact CB-CD2 4.29Å; R88-Y97 HydrophobicContact CG-CD2 4.1Å; R88-Y97 PolarHBondContact NH1-OH 2.68Å; R88-Y97 VanDerWaalsContact NH1-OH 3.07Å; K89-Y97 CarbonylContact O-C 3.51Å; K89-Y97 VanDerWaalsContact O-CA 3.25Å; K89-Y97 WeakPolarHBondContact O-CA 3.4Å; K89-Y97 WeakPolarHBondContact O-CB 3.49Å; Y97-K99 HydrophobicContact CE2-CG 4.41Å
98S90.9Very high91.8Very high48 Ų4851.9 Ų51.934%0.33627%0.271SS..EExtended strand (participates in β ladder)trans-88.9154160.7-178.10000109.9R88 K89R88-S98 CarbonylContact C-O 3.49Å; R88-S98 WeakPolarHBondContact CA-O 3.5Å; R88-S98 WeakPolarHBondContact CB-O 3.25Å; K89-S98 PolarHBondContact N-O 3.02Å; K89-S98 PolarHBondContact O-N 3.37Å
99K90.9Very high91.8Very high105 Ų10551 Ų5146%0.45727%0.267SS..EExtended strand (participates in β ladder)trans-96.8122.4163.6-49.6171.7-170.4163.20106.5Y97 Y125Y97-K99 HydrophobicContact CE2-CG 4.41Å; K99-Y125 HydrophobicContact CB-CD2 3.45Å; K99-Y125 VanDerWaalsContact CB-CD2 3.45Å; K99-Y125 HydrophobicContact CB-CE2 3.82Å; K99-Y125 HydrophobicContact CB-CG 4.25Å; K99-Y125 HydrophobicContact CD-CD1 4.34Å; K99-Y125 HydrophobicContact CD-CD2 3.8Å; K99-Y125 HydrophobicContact CD-CE2 3.96Å; K99-Y125 HydrophobicContact CD-CG 3.98Å; K99-Y125 HydrophobicContact CG-CD2 4.24Å; K99-Y125 HydrophobicContact CG-CE2 4.35Å
100L89.1Confident91.9Very high14 Ų1449.4 Ų49.47%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-81.3-56175.1-62.5-175.8000109.6F26 L31 V87 K89F26-L100 HydrophobicContact CE2-CD1 4.25Å; F26-L100 HydrophobicContact CE2-CD2 4.04Å; F26-L100 HydrophobicContact CZ-CD2 4.47Å; L31-L100 HydrophobicContact CD1-CD1 4.04Å; L31-L100 HydrophobicContact CD2-CD1 3.77Å; V87-L100 HydrophobicContact CG1-CB 4.39Å; V87-L100 HydrophobicContact CG1-CD1 4.19Å; V87-L100 PolarHBondContact O-N 2.91Å; K89-L100 HydrophobicContact CB-CD1 4.14Å; K89-L100 HydrophobicContact CB-CD2 3.91Å; K89-L100 HydrophobicContact CB-CG 3.99Å
101G91.6Very high91.9Very high1 Ų147.8 Ų47.81%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-168.8-168.5178.100000112.1V87 E123 Y125V87-G101 PolarHBondContact N-O 2.83Å; G101-E123 CarbonylContact C-O 3.6Å; G101-E123 WeakPolarHBondContact CA-O 3.48Å; G101-Y125 WeakPolarHBondContact O-CE2 3.48Å
102F93.4Very high91.7Very high20 Ų2047 Ų479%0.08826%0.264CS..EExtended strand (participates in β ladder)trans-144.8162.3175.964.6-78.5000111.9R84 V85 E123 Y125R84-F102 HydrophobicContact CG-CB 4.17Å; R84-F102 HydrophobicContact CG-CD2 4.21Å; V85-F102 CarbonylContact O-C 3.59Å; V85-F102 WeakPolarHBondContact O-CA 3.46Å; V85-F102 WeakPolarHBondContact O-CB 3.39Å; F102-E123 HydrophobicContact CD1-CB 4.21Å; F102-E123 WeakPolarHBondContact CD1-O 3.35Å; F102-E123 HydrophobicContact CD2-CB 4.43Å; F102-E123 HydrophobicContact CE1-CB 3.8Å; F102-E123 HydrophobicContact CE2-CB 4.04Å; F102-E123 VanDerWaalsContact CE2-OE2 3.28Å; F102-E123 WeakPolarHBondContact CE2-OE2 3.45Å; F102-E123 HydrophobicContact CZ-CB 3.7Å; F102-E123 VanDerWaalsContact CZ-OE2 3.26Å; F102-E123 WeakPolarHBondContact CZ-OE2 3.36Å; F102-E123 PolarHBondContact N-O 2.98Å; F102-E123 PolarHBondContact O-N 2.76Å; F102-Y125 HydrophobicContact CB-CE2 3.96Å; F102-Y125 WeakPolarHBondContact CB-OH 3.48Å; F102-Y125 AromaticContact CD1-CD1 3.84Å; F102-Y125 HydrophobicContact CD1-CD1 3.84Å; F102-Y125 HydrophobicContact CD1-CD2 4.01Å; F102-Y125 AromaticContact CD1-CE1 3.51Å; F102-Y125 HydrophobicContact CD1-CE1 3.51Å; F102-Y125 AromaticContact CD1-CE2 3.74Å; F102-Y125 HydrophobicContact CD1-CE2 3.74Å; F102-Y125 HydrophobicContact CD1-CG 4.07Å; F102-Y125 AromaticContact CD1-CZ 3.46Å; F102-Y125 VanDerWaalsContact CD1-CZ 3.46Å; F102-Y125 HydrophobicContact CE1-CD1 4.03Å; F102-Y125 AromaticContact CE1-CE1 3.97Å; F102-Y125 HydrophobicContact CE1-CE1 3.97Å; F102-Y125 HydrophobicContact CE1-CG 4.44Å; F102-Y125 HydrophobicContact CG-CE1 4.2Å; F102-Y125 HydrophobicContact CG-CE2 4.27Å; F102-Y125 AromaticContact CG-CZ 3.86Å
103A94Very high91.5Very high3 Ų341.5 Ų41.53%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-130.1133.8166.300000109R84 V85 C120 L137R84-A103 WeakPolarHBondContact CA-O 3.43Å; V85-A103 PolarHBondContact N-O 3.38Å; V85-A103 PolarHBondContact O-N 3.19Å; A103-C120 HydrophobicContact CB-CB 4.1Å; A103-C120 VanDerWaalsContact CB-SG 3.54Å; A103-L137 HydrophobicContact CB-CD2 3.99Å
104D94.4Very high91.8Very high55 Ų5540.9 Ų40.929%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-103.2124.7176.9-83.910.6000110.3I82 R84I82-D104 HydrophobicContact CG2-CB 3.74Å; R84-D104 WeakPolarHBondContact CA-OD1 3.47Å; R84-D104 WeakPolarHBondContact CB-OD1 3.4Å; R84-D104 WeakPolarHBondContact CD-OD1 3.16Å; R84-D104 WeakPolarHBondContact CG-OD1 3.03Å; R84-D104 IonicContact CZ-OD1 3.62Å; R84-D104 IonicContact CZ-OD2 3.35Å; R84-D104 IonicContact NE-OD1 2.72Å; R84-D104 PolarHBondContact NE-OD1 2.99Å; R84-D104 IonicContact NE-OD2 3.23Å; R84-D104 PolarHBondContact NE-OD2 3.26Å; R84-D104 IonicContact NH2-OD1 3.68Å; R84-D104 IonicContact NH2-OD2 2.66Å; R84-D104 PolarHBondContact NH2-OD2 2.89Å
105L94.4Very high92Very high11 Ų1143.3 Ų43.36%0.05825%0.253CS..EExtended strand (participates in β ladder)trans-119.7113.9-173-66.2159.7000108.8F16 C83 V85 L107 V139 I141F16-L105 HydrophobicContact CE2-CD1 3.84Å; F16-L105 HydrophobicContact CZ-CD1 4.07Å; C83-L105 PolarHBondContact N-O 3.03Å; C83-L105 PolarHBondContact O-N 3.14Å; V85-L105 HydrophobicContact CG2-CD1 4.07Å; L105-L107 PolarHBondContact O-N 2.89Å; L105-L107 VanDerWaalsContact O-N 3.16Å; L105-V139 HydrophobicContact CD1-CG2 3.88Å; L105-V139 HydrophobicContact CD2-CG2 4.49Å; L105-I141 HydrophobicContact CB-CD1 4.42Å; L105-I141 HydrophobicContact CD1-CD1 4.27Å; L105-I141 HydrophobicContact CD2-CD1 4.4Å
106N95.2Very high92.2Very high23 Ų2336.1 Ų36.112%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-75.1101.3176.5-179.816.9000110.4P80 C81 I82 A108 E109 F110P80-N106 WeakPolarHBondContact CA-OD1 3.49Å; C81-N106 PolarHBondContact N-OD1 2.81Å; I82-N106 HydrophobicContact CD1-CB 3.95Å; N106-A108 PolarHBondContact O-N 3.19Å; N106-A108 VanDerWaalsContact O-N 3.17Å; N106-A108 WeakPolarHBondContact OD1-CB 3.19Å; N106-A108 PolarHBondContact OD1-N 2.78Å; N106-E109 HydrophobicContact CB-CG 4.19Å; N106-E109 WeakPolarHBondContact O-CB 3.42Å; N106-E109 PolarHBondContact O-N 2.9Å; N106-E109 VanDerWaalsContact O-N 3.15Å; N106-F110 VanDerWaalsContact O-CE2 3.29Å; N106-F110 WeakPolarHBondContact O-CE2 3.12Å
107L95.1Very high92.3Very high0 Ų037.8 Ų37.80%023%0.234CC..G310 helixtrans-61.3-25.4-178.7-62.6-175.9000113T14 L37 F65 C67 C81 C83 L105 E109 F110 I141 M143T14-L107 HydrophobicContact CG2-CD1 4.32Å; T14-L107 HydrophobicContact CG2-CD2 4.22Å; L37-L107 HydrophobicContact CD1-CD1 3.72Å; F65-L107 HydrophobicContact CE2-CD1 3.85Å; F65-L107 HydrophobicContact CZ-CD1 4.07Å; C67-L107 HydrophobicContact CB-CD1 4.16Å; C81-L107 HydrophobicContact CB-CB 4.24Å; C81-L107 WeakPolarHBondContact O-CB 3.36Å; C81-L107 PolarHBondContact O-N 2.84Å; C83-L107 HydrophobicContact CB-CD1 3.97Å; C83-L107 HydrophobicContact CB-CD2 3.98Å; C83-L107 HydrophobicContact CB-CG 3.85Å; L105-L107 PolarHBondContact O-N 2.89Å; L105-L107 VanDerWaalsContact O-N 3.16Å; L107-E109 PolarHBondContact O-N 2.83Å; L107-E109 VanDerWaalsContact O-N 3.16Å; L107-F110 PolarHBondContact O-N 3.3Å; L107-F110 VanDerWaalsContact O-N 3.15Å; L107-I141 HydrophobicContact CD2-CG2 4.16Å; L107-M143 HydrophobicContact CB-CE 4.38Å; L107-M143 HydrophobicContact CB-SD 4.04Å; L107-M143 WeakPolarHBondContact O-CE 3.28Å
108A94.8Very high92.3Very high0 Ų034.2 Ų34.20%022%0.22CC..G310 helixtrans-62.8-20.5178.200000113.5I69 L78 D79 N106 T154 P155I69-A108 HydrophobicContact CD1-CB 4.41Å; I69-A108 HydrophobicContact CG2-CB 4.47Å; L78-A108 HydrophobicContact CB-CB 3.95Å; L78-A108 HydrophobicContact CD1-CB 4.45Å; D79-A108 WeakPolarHBondContact O-CB 3.13Å; N106-A108 PolarHBondContact O-N 3.19Å; N106-A108 VanDerWaalsContact O-N 3.17Å; N106-A108 WeakPolarHBondContact OD1-CB 3.19Å; N106-A108 PolarHBondContact OD1-N 2.78Å; A108-T154 WeakPolarHBondContact O-CB 3.12Å; A108-T154 VanDerWaalsContact O-CG2 3.25Å; A108-T154 WeakPolarHBondContact O-CG2 3.42Å; A108-P155 HydrophobicContact CB-CG 3.93Å; A108-P155 VanDerWaalsContact O-CD 3.26Å; A108-P155 WeakPolarHBondContact O-CD 3.18Å
109E94.2Very high92.4Very high11 Ų1135.4 Ų35.45%0.05123%0.228CC..G310 helixtrans-69.9-28.7175.6-64.9-176.9-153.200113.6N106 L107 S113 R118 S157 T158N106-E109 HydrophobicContact CB-CG 4.19Å; N106-E109 WeakPolarHBondContact O-CB 3.42Å; N106-E109 PolarHBondContact O-N 2.9Å; N106-E109 VanDerWaalsContact O-N 3.15Å; L107-E109 PolarHBondContact O-N 2.83Å; L107-E109 VanDerWaalsContact O-N 3.16Å; E109-S113 PolarHBondContact O-OG 2.79Å; E109-R118 IonicContact OE2-CZ 2.87Å; E109-R118 IonicContact OE2-NH1 3.51Å; E109-R118 IonicContact OE2-NH2 3.54Å; E109-R118 PolarHBondContact OE2-NH2 2.86Å; E109-S157 WeakPolarHBondContact OE2-CA 3.48Å; E109-S157 WeakPolarHBondContact OE2-CB 3.21Å; E109-S157 PolarHBondContact OE2-OG 2.95Å; E109-T158 VanDerWaalsContact CD-N 3.29Å; E109-T158 WeakPolarHBondContact OE1-CB 3.46Å; E109-T158 PolarHBondContact OE1-N 3.24Å; E109-T158 PolarHBondContact OE1-OG1 3.48Å; E109-T158 PolarHBondContact OE2-N 3.06Å
110F93.9Very high92.4Very high4 Ų431.6 Ų31.62%0.01821%0.214CC..SBendtrans-100.2-2-170.5-47.5-69.4000113.5N106 L107 G112 S113 T116 R118 I141 M143N106-F110 VanDerWaalsContact O-CE2 3.29Å; N106-F110 WeakPolarHBondContact O-CE2 3.12Å; L107-F110 PolarHBondContact O-N 3.3Å; L107-F110 VanDerWaalsContact O-N 3.15Å; F110-G112 PolarHBondContact O-N 2.88Å; F110-G112 VanDerWaalsContact O-N 3.15Å; F110-S113 PolarHBondContact O-N 3.37Å; F110-S113 VanDerWaalsContact O-N 3.08Å; F110-T116 WeakPolarHBondContact CD1-OG1 3.47Å; F110-R118 HydrophobicContact CE1-CG 3.63Å; F110-R118 HydrophobicContact CZ-CG 3.73Å; F110-I141 HydrophobicContact CB-CG2 4.06Å; F110-I141 HydrophobicContact CD2-CB 4.24Å; F110-I141 HydrophobicContact CD2-CD1 3.84Å; F110-I141 HydrophobicContact CD2-CG2 3.78Å; F110-I141 HydrophobicContact CE2-CD1 3.51Å; F110-I141 HydrophobicContact CG-CB 4.25Å; F110-I141 HydrophobicContact CG-CG2 3.96Å; F110-I141 HydrophobicContact CZ-CD1 3.93Å; F110-M143 HydrophobicContact CB-SD 3.99Å
111A93.1Very high92.6Very high4 Ų435.7 Ų35.73%0.03324%0.235CC..THydrogen-bonded Turntrans-63.3115.1179.700000110.6F12 L78 S113 M143 F152 T154F12-A111 HydrophobicContact CD1-CB 4.33Å; F12-A111 HydrophobicContact CE1-CB 3.78Å; F12-A111 HydrophobicContact CE2-CB 4.22Å; F12-A111 HydrophobicContact CZ-CB 3.72Å; L78-A111 HydrophobicContact CD1-CB 3.59Å; A111-S113 VanDerWaalsContact C-N 3.31Å; A111-S113 PolarHBondContact O-N 2.73Å; A111-M143 HydrophobicContact CB-CE 3.99Å; A111-F152 HydrophobicContact CB-CE2 3.65Å; A111-F152 HydrophobicContact CB-CZ 4Å; A111-F152 WeakPolarHBondContact O-CE2 3.01Å; A111-T154 HydrophobicContact CB-CG2 4.09Å; A111-T154 WeakPolarHBondContact O-CG2 3.45Å
112G86.6Confident92.6Very high62 Ų6236.2 Ų36.264%0.63924%0.238SC*.THydrogen-bonded Turntrans83.5-5.7-176.700000115.2F110 G114F110-G112 PolarHBondContact O-N 2.88Å; F110-G112 VanDerWaalsContact O-N 3.15Å; G112-G114 PolarHBondContact O-N 2.78Å
113S86Confident92.4Very high60 Ų6040.4 Ų40.442%0.4226%0.258SS..SBendtrans-79.411.8-179.9-47.70000114.5E109 F110 A111 S115 T116E109-S113 PolarHBondContact O-OG 2.79Å; F110-S113 PolarHBondContact O-N 3.37Å; F110-S113 VanDerWaalsContact O-N 3.08Å; A111-S113 VanDerWaalsContact C-N 3.31Å; A111-S113 PolarHBondContact O-N 2.73Å; S113-S115 PolarHBondContact O-N 2.73Å; S113-T116 WeakPolarHBondContact O-CG2 3.42Å
114G88.6Confident92Very high49 Ų4941.7 Ų41.751%0.50527%0.271SS..  trans71.4-122.9-174.800000112.1G112 G142 M143G112-G114 PolarHBondContact O-N 2.78Å; G114-G142 WeakPolarHBondContact O-CA 3.41Å; G114-M143 PolarHBondContact O-N 2.91Å
115S91.7Very high91.2Very high86 Ų8642.9 Ų42.960%0.60127%0.272SS*.EExtended strand (participates in β ladder)trans-122.1123.7174.3-176.30000109S113 T140S113-S115 PolarHBondContact O-N 2.73Å; S115-T140 WeakPolarHBondContact OG-CG2 3.35Å
116T93.3Very high90.1Very high32 Ų3246.3 Ų46.320%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-128.3138.3-168.160.90000111.7F110 S113 T140 I141F110-T116 WeakPolarHBondContact CD1-OG1 3.47Å; S113-T116 WeakPolarHBondContact O-CG2 3.42Å; T116-T140 CarbonylContact O-C 3.41Å; T116-T140 VanDerWaalsContact O-CA 3.29Å; T116-T140 WeakPolarHBondContact O-CA 3.49Å; T116-I141 PolarHBondContact N-O 2.89Å; T116-I141 PolarHBondContact O-N 2.62Å; T116-I141 PolarHBondContact OG1-O 3.39Å
117V94.6Very high88.4Confident88 Ų8851.4 Ų51.453%0.53332%0.322SS..EExtended strand (participates in β ladder)trans-87140.7174.2-168.30000109.4K138 V139V117-K138 HydrophobicContact CG1-CG 4.2Å; V117-V139 CarbonylContact C-O 3.41Å
118R92.2Very high86.8Confident43 Ų4360.2 Ų60.216%0.16236%0.36CS..EExtended strand (participates in β ladder)trans-134.7135.8172.7-61.4-64.3-87-133.8-13.2111.4E109 F110 K138 V139 I141 S157E109-R118 IonicContact OE2-CZ 2.87Å; E109-R118 IonicContact OE2-NH1 3.51Å; E109-R118 IonicContact OE2-NH2 3.54Å; E109-R118 PolarHBondContact OE2-NH2 2.86Å; F110-R118 HydrophobicContact CE1-CG 3.63Å; F110-R118 HydrophobicContact CZ-CG 3.73Å; R118-K138 WeakPolarHBondContact O-CA 3.24Å; R118-V139 HydrophobicContact CB-CG2 3.98Å; R118-V139 PolarHBondContact N-O 2.9Å; R118-V139 PolarHBondContact O-N 2.9Å; R118-I141 HydrophobicContact CG-CD1 4.47Å; R118-S157 PolarHBondContact NH1-OG 2.9Å; R118-S157 PolarHBondContact NH2-OG 2.79Å
119C93.6Very high84.7Confident73 Ų7367.2 Ų67.249%0.49340%0.398SS..EExtended strand (participates in β ladder)trans-107.8128.8167.6-64.10000107.9I136 L137C119-I136 HydrophobicContact CB-CG2 3.66Å; C119-L137 WeakPolarHBondContact CA-O 3.41Å
120C91.6Very high82.8Confident24 Ų2469.8 Ų69.816%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-135.1140.2178.947.20000110A103 L137A103-C120 HydrophobicContact CB-CB 4.1Å; A103-C120 VanDerWaalsContact CB-SG 3.54Å; C120-L137 PolarHBondContact N-O 3.09Å; C120-L137 PolarHBondContact O-N 3.11Å; C120-L137 PolarHBondContact SG-O 3Å
121L92.5Very high81Confident100 Ų10079.9 Ų79.952%0.52445%0.452SS..EExtended strand (participates in β ladder)trans-76153173.2-68.9167.5000109.6I136L121-I136 HydrophobicContact CD2-CG1 3.82Å
122L91.2Very high79.3Confident12 Ų1286.9 Ų86.96%0.06348%0.484CS..PPolyproline II helixtrans-81.5122.9173.3-63.9-173.8000111.6L21 V87 S135 L137L21-L122 HydrophobicContact CD1-CD1 3.87Å; L21-L122 HydrophobicContact CD1-CD2 4.43Å; L21-L122 HydrophobicContact CD1-CG 4.09Å; L21-L122 HydrophobicContact CD2-CD1 4.11Å; V87-L122 HydrophobicContact CB-CD1 3.95Å; V87-L122 HydrophobicContact CB-CD2 4.46Å; V87-L122 HydrophobicContact CG1-CD1 4.25Å; V87-L122 HydrophobicContact CG2-CD1 3.79Å; V87-L122 HydrophobicContact CG2-CD2 3.61Å; V87-L122 HydrophobicContact CG2-CG 4.38Å; L122-S135 PolarHBondContact N-O 2.81Å; L122-L137 HydrophobicContact CD2-CB 4.03Å; L122-L137 HydrophobicContact CD2-CD2 4.31Å
123E89.3Confident78.3Confident109 Ų10984.5 Ų84.551%0.50946%0.457SS..EExtended strand (participates in β ladder)trans-78.2132.8168.8-65.4180-160.200110.5G101 F102G101-E123 CarbonylContact C-O 3.6Å; G101-E123 WeakPolarHBondContact CA-O 3.48Å; F102-E123 HydrophobicContact CD1-CB 4.21Å; F102-E123 WeakPolarHBondContact CD1-O 3.35Å; F102-E123 HydrophobicContact CD2-CB 4.43Å; F102-E123 HydrophobicContact CE1-CB 3.8Å; F102-E123 HydrophobicContact CE2-CB 4.04Å; F102-E123 VanDerWaalsContact CE2-OE2 3.28Å; F102-E123 WeakPolarHBondContact CE2-OE2 3.45Å; F102-E123 HydrophobicContact CZ-CB 3.7Å; F102-E123 VanDerWaalsContact CZ-OE2 3.26Å; F102-E123 WeakPolarHBondContact CZ-OE2 3.36Å; F102-E123 PolarHBondContact N-O 2.98Å; F102-E123 PolarHBondContact O-N 2.76Å
124G85.3Confident78.2Confident29 Ų2987.2 Ų87.230%0.29947%0.467SS..EExtended strand (participates in β ladder)trans-72.6140179.700000112.8
125Y79.3Confident78.3Confident80 Ų8085 Ų8531%0.31444%0.444SS..SBendtrans-78.8-21177.3-89.3-65.4000114.9S86 K99 G101 F102S86-Y125 WeakPolarHBondContact CB-OH 3.37Å; S86-Y125 PolarHBondContact OG-OH 2.87Å; K99-Y125 HydrophobicContact CB-CD2 3.45Å; K99-Y125 VanDerWaalsContact CB-CD2 3.45Å; K99-Y125 HydrophobicContact CB-CE2 3.82Å; K99-Y125 HydrophobicContact CB-CG 4.25Å; K99-Y125 HydrophobicContact CD-CD1 4.34Å; K99-Y125 HydrophobicContact CD-CD2 3.8Å; K99-Y125 HydrophobicContact CD-CE2 3.96Å; K99-Y125 HydrophobicContact CD-CG 3.98Å; K99-Y125 HydrophobicContact CG-CD2 4.24Å; K99-Y125 HydrophobicContact CG-CE2 4.35Å; G101-Y125 WeakPolarHBondContact O-CE2 3.48Å; F102-Y125 HydrophobicContact CB-CE2 3.96Å; F102-Y125 WeakPolarHBondContact CB-OH 3.48Å; F102-Y125 AromaticContact CD1-CD1 3.84Å; F102-Y125 HydrophobicContact CD1-CD1 3.84Å; F102-Y125 HydrophobicContact CD1-CD2 4.01Å; F102-Y125 AromaticContact CD1-CE1 3.51Å; F102-Y125 HydrophobicContact CD1-CE1 3.51Å; F102-Y125 AromaticContact CD1-CE2 3.74Å; F102-Y125 HydrophobicContact CD1-CE2 3.74Å; F102-Y125 HydrophobicContact CD1-CG 4.07Å; F102-Y125 AromaticContact CD1-CZ 3.46Å; F102-Y125 VanDerWaalsContact CD1-CZ 3.46Å; F102-Y125 HydrophobicContact CE1-CD1 4.03Å; F102-Y125 AromaticContact CE1-CE1 3.97Å; F102-Y125 HydrophobicContact CE1-CE1 3.97Å; F102-Y125 HydrophobicContact CE1-CG 4.44Å; F102-Y125 HydrophobicContact CG-CE1 4.2Å; F102-Y125 HydrophobicContact CG-CE2 4.27Å; F102-Y125 AromaticContact CG-CZ 3.86Å
126D69.8Low78.4Confident84 Ų8483.6 Ų83.645%0.44943%0.429SS..  trans-139.2124.4174.7-179.6-3.8000107.3K128D126-K128 PolarHBondContact O-N 2.85Å; D126-K128 WeakPolarHBondContact OD1-CB 3.21Å; D126-K128 PolarHBondContact OD1-N 2.81Å
127T60.7Low78.5Confident129 Ų12982.1 Ų82.179%0.79142%0.42SS*.SBendtrans-77.8-5.8-177.952.70000113.5
128K60.8Low78.6Confident185 Ų18580.6 Ų80.680%0.80441%0.406SS*.SBendtrans-100.8-24.4-168.1-62.5-172.9177-175.70116D126D126-K128 PolarHBondContact O-N 2.85Å; D126-K128 WeakPolarHBondContact OD1-CB 3.21Å; D126-K128 PolarHBondContact OD1-N 2.81Å
129N50.6Low78.8Confident147 Ų14778.5 Ų78.579%0.78640%0.398SS*.SBendtrans-154.526.2-173.5-155.315.9000115.8
130T54.8Low78.9Confident66 Ų6675.9 Ų75.941%0.40538%0.38SS..SBendtrans-128.2135.3164.5-57.40000106.5
131R54.9Low79.2Confident215 Ų21574.8 Ų74.881%0.81137%0.372SS*.  trans-57.2146.9171.5-76.2-175.7170.8-169.9-4.3107.8D133R131-D133 PolarHBondContact O-N 2.93Å
132Q58.8Low79.3Confident151 Ų15170.4 Ų70.471%0.70635%0.351SS*.  trans-67.692.7162.8-72.6176-19.500105.8N134Q132-N134 PolarHBondContact O-N 2.93Å
133D64.9Low79.5Confident12 Ų1270.4 Ų70.46%0.06435%0.351CS..  trans-62.1101.5178.6-74.1-11.1000106.1P25 R131 S135P25-D133 HydrophobicContact CG-CB 4.35Å; P25-D133 WeakPolarHBondContact CG-OD1 3.34Å; R131-D133 PolarHBondContact O-N 2.93Å; D133-S135 PolarHBondContact O-N 2.99Å
134N84.4Confident79.7Confident117 Ų11768 Ų6863%0.62635%0.347SS*.  trans-6726.5178.9-72.9-35.6000112.7Q132Q132-N134 PolarHBondContact O-N 2.93Å
135S90.5Very high80.2Confident2 Ų269.5 Ų69.51%0.01435%0.347CS..  trans-68.3128.2176.3-510000110T22 A23 V24 L122 D133T22-S135 CarbonylContact O-C 3.53Å; T22-S135 WeakPolarHBondContact O-CA 3.29Å; T22-S135 WeakPolarHBondContact O-CB 3.34Å; A23-S135 WeakPolarHBondContact O-CA 3.47Å; A23-S135 PolarHBondContact O-OG 3.44Å; V24-S135 WeakPolarHBondContact CA-OG 3.32Å; L122-S135 PolarHBondContact N-O 2.81Å; D133-S135 PolarHBondContact O-N 2.99Å
136I93.7Very high81Confident58 Ų5870.1 Ų70.130%0.29736%0.355SS..EExtended strand (participates in β ladder)trans-96110-176.7-60.3167.7000107.7L21 T22 C119 L121L21-I136 WeakPolarHBondContact CA-O 3.29Å; T22-I136 PolarHBondContact N-O 2.9Å; T22-I136 PolarHBondContact O-N 2.78Å; T22-I136 PolarHBondContact OG1-O 2.91Å; C119-I136 HydrophobicContact CB-CG2 3.66Å; L121-I136 HydrophobicContact CD2-CG1 3.82Å
137L94.9Very high82Confident0 Ų068.3 Ų68.30%035%0.349CS..EExtended strand (participates in β ladder)trans-80.3122.3173.3-178.270.6000109L18 L21 W59 V85 A103 C119 C120 L122 V139L18-L137 HydrophobicContact CD1-CD1 3.84Å; L21-L137 HydrophobicContact CB-CD1 4.4Å; L21-L137 HydrophobicContact CD1-CB 3.89Å; L21-L137 HydrophobicContact CD1-CD1 4.21Å; W59-L137 HydrophobicContact CZ3-CD1 4.09Å; V85-L137 HydrophobicContact CB-CD2 3.87Å; V85-L137 HydrophobicContact CG1-CD2 3.82Å; V85-L137 HydrophobicContact CG2-CD2 4.33Å; A103-L137 HydrophobicContact CB-CD2 3.99Å; C119-L137 WeakPolarHBondContact CA-O 3.41Å; C120-L137 PolarHBondContact N-O 3.09Å; C120-L137 PolarHBondContact O-N 3.11Å; C120-L137 PolarHBondContact SG-O 3Å; L122-L137 HydrophobicContact CD2-CB 4.03Å; L122-L137 HydrophobicContact CD2-CD2 4.31Å; L137-V139 HydrophobicContact CD2-CG1 4.32Å; L137-V139 HydrophobicContact CG-CG1 4.13Å
138K96.6Very high83.4Confident56 Ų5664 Ų6424%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-109.1126.9179.6-170-167.2-180-147.90110.4E19 E20 V117 R118E19-K138 HydrophobicContact CB-CD 4.37Å; E19-K138 HydrophobicContact CB-CG 4.47Å; E19-K138 WeakPolarHBondContact CB-O 3.38Å; E19-K138 PolarHBondContact N-O 2.91Å; E19-K138 VanDerWaalsContact N-O 3.13Å; E19-K138 WeakPolarHBondContact OE2-CD 3.3Å; E19-K138 WeakPolarHBondContact OE2-CE 3.48Å; E19-K138 IonicContact OE2-NZ 2.72Å; E19-K138 PolarHBondContact OE2-NZ 3.38Å; E20-K138 HydrophobicContact CG-CB 3.96Å; E20-K138 HydrophobicContact CG-CD 3.83Å; E20-K138 PolarHBondContact N-O 2.8Å; E20-K138 PolarHBondContact O-N 2.92Å; E20-K138 WeakPolarHBondContact OE1-CD 3.5Å; E20-K138 IonicContact OE1-NZ 2.64Å; E20-K138 PolarHBondContact OE1-NZ 2.71Å; V117-K138 HydrophobicContact CG1-CG 4.2Å; R118-K138 WeakPolarHBondContact O-CA 3.24Å
139V96.6Very high84.8Confident0 Ų058 Ų580%031%0.308CS..EExtended strand (participates in β ladder)trans-137.9151.1-177.6-58.90000110F16 T17 L18 L105 V117 R118 L137 I141F16-V139 HydrophobicContact CE1-CB 4.49Å; F16-V139 HydrophobicContact CE1-CG1 4.18Å; F16-V139 HydrophobicContact CE2-CB 4.42Å; F16-V139 HydrophobicContact CZ-CB 3.98Å; F16-V139 HydrophobicContact CZ-CG1 3.73Å; F16-V139 HydrophobicContact CZ-CG2 4.42Å; T17-V139 CarbonylContact O-C 3.48Å; T17-V139 VanDerWaalsContact O-CA 3.27Å; T17-V139 WeakPolarHBondContact O-CA 3.46Å; L18-V139 HydrophobicContact CD1-CG1 4.26Å; L105-V139 HydrophobicContact CD1-CG2 3.88Å; L105-V139 HydrophobicContact CD2-CG2 4.49Å; V117-V139 CarbonylContact C-O 3.41Å; R118-V139 HydrophobicContact CB-CG2 3.98Å; R118-V139 PolarHBondContact N-O 2.9Å; R118-V139 PolarHBondContact O-N 2.9Å; L137-V139 HydrophobicContact CD2-CG1 4.32Å; L137-V139 HydrophobicContact CG-CG1 4.13Å; V139-I141 HydrophobicContact CG2-CD1 4.11Å; V139-I141 HydrophobicContact CG2-CG1 4.15Å
140T96.6Very high86.6Confident18 Ų1855.7 Ų55.711%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-118.1124171-76.60000109.7T17 E19 S115 T116T17-T140 PolarHBondContact N-O 3.24Å; T17-T140 PolarHBondContact O-N 3.3Å; E19-T140 VanDerWaalsContact OE1-CB 3.28Å; E19-T140 WeakPolarHBondContact OE1-CB 3.48Å; E19-T140 PolarHBondContact OE1-OG1 2.54Å; S115-T140 WeakPolarHBondContact OG-CG2 3.35Å; T116-T140 CarbonylContact O-C 3.41Å; T116-T140 VanDerWaalsContact O-CA 3.29Å; T116-T140 WeakPolarHBondContact O-CA 3.49Å
141I96.4Very high88.2Confident0 Ų056.9 Ų56.90%031%0.31CS..EExtended strand (participates in β ladder)trans-119.3119.3-173.1-53.1171.7000108.1T14 F16 L105 L107 F110 T116 R118 V139 M143T14-I141 HydrophobicContact CG2-CG2 4.3Å; F16-I141 HydrophobicContact CD2-CD1 4.49Å; F16-I141 HydrophobicContact CD2-CG1 3.97Å; F16-I141 HydrophobicContact CE2-CD1 4.22Å; F16-I141 HydrophobicContact CE2-CG1 4.05Å; L105-I141 HydrophobicContact CB-CD1 4.42Å; L105-I141 HydrophobicContact CD1-CD1 4.27Å; L105-I141 HydrophobicContact CD2-CD1 4.4Å; L107-I141 HydrophobicContact CD2-CG2 4.16Å; F110-I141 HydrophobicContact CB-CG2 4.06Å; F110-I141 HydrophobicContact CD2-CB 4.24Å; F110-I141 HydrophobicContact CD2-CD1 3.84Å; F110-I141 HydrophobicContact CD2-CG2 3.78Å; F110-I141 HydrophobicContact CE2-CD1 3.51Å; F110-I141 HydrophobicContact CG-CB 4.25Å; F110-I141 HydrophobicContact CG-CG2 3.96Å; F110-I141 HydrophobicContact CZ-CD1 3.93Å; T116-I141 PolarHBondContact N-O 2.89Å; T116-I141 PolarHBondContact O-N 2.62Å; T116-I141 PolarHBondContact OG1-O 3.39Å; R118-I141 HydrophobicContact CG-CD1 4.47Å; V139-I141 HydrophobicContact CG2-CD1 4.11Å; V139-I141 HydrophobicContact CG2-CG1 4.15Å; I141-M143 HydrophobicContact CG2-CG 4.49Å
142G95.4Very high89.9Confident8 Ų848.7 Ų48.78%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-123143.3169.700000111.9S15 G114S15-G142 PolarHBondContact N-O 2.81Å; S15-G142 PolarHBondContact O-N 2.96Å; G114-G142 WeakPolarHBondContact O-CA 3.41Å
143M95Very high91.5Very high12 Ų1248 Ų486%0.05928%0.275CS..EExtended strand (participates in β ladder)trans-138.6123.4-175.2-74.5175.262.200112.4F12 Q13 T14 I69 L107 F110 A111 G114 I141F12-M143 HydrophobicContact CB-CE 3.62Å; F12-M143 HydrophobicContact CD1-CE 4.2Å; F12-M143 HydrophobicContact CD2-CE 3.91Å; F12-M143 HydrophobicContact CG-CE 3.66Å; Q13-M143 WeakPolarHBondContact O-CA 3.26Å; T14-M143 HydrophobicContact CG2-CG 4.02Å; I69-M143 HydrophobicContact CD1-CE 3.88Å; L107-M143 HydrophobicContact CB-CE 4.38Å; L107-M143 HydrophobicContact CB-SD 4.04Å; L107-M143 WeakPolarHBondContact O-CE 3.28Å; F110-M143 HydrophobicContact CB-SD 3.99Å; A111-M143 HydrophobicContact CB-CE 3.99Å; G114-M143 PolarHBondContact O-N 2.91Å; I141-M143 HydrophobicContact CG2-CG 4.49Å
144S94.6Very high92.8Very high60 Ų6049.9 Ų49.942%0.4229%0.288SS..EExtended strand (participates in β ladder)trans-109.9141.5171.354.90000111.2F12 Q13 L146F12-S144 CarbonylContact C-O 3.43Å; F12-S144 WeakPolarHBondContact CA-O 3.35Å; Q13-S144 PolarHBondContact N-O 3.03Å; Q13-S144 PolarHBondContact O-N 3.02Å; Q13-S144 VanDerWaalsContact O-N 3.14Å; S144-L146 PolarHBondContact O-N 3.2Å
145L95.3Very high93.1Very high60 Ų6045.1 Ų45.131%0.31426%0.263SS..EExtended strand (participates in β ladder)trans-76.4119.8177.1-179.167.5000109.8F10 F12 P150 F152F10-L145 HydrophobicContact CB-CD1 4.15Å; F10-L145 HydrophobicContact CD1-CD1 4.41Å; F12-L145 HydrophobicContact CD1-CB 4.08Å; F12-L145 HydrophobicContact CD1-CD1 4.02Å; F12-L145 HydrophobicContact CE1-CB 3.96Å; F12-L145 HydrophobicContact CE1-CD1 3.62Å; F12-L145 HydrophobicContact CE1-CG 4.37Å; F12-L145 HydrophobicContact CE2-CD1 4.49Å; F12-L145 HydrophobicContact CZ-CD1 3.88Å; L145-P150 HydrophobicContact CD2-CB 4.44Å; L145-P150 HydrophobicContact CD2-CG 4.22Å; L145-F152 HydrophobicContact CD2-CE1 4.47Å
146L94.7Very high92.8Very high92 Ų9250.5 Ų50.548%0.48230%0.298SS..EExtended strand (participates in β ladder)trans-91.5-37175-68.7-179.6000112.9K11 Q13 V66 S144K11-L146 HydrophobicContact CB-CB 4.33Å; K11-L146 PolarHBondContact O-N 3.46Å; Q13-L146 HydrophobicContact CB-CD1 3.89Å; Q13-L146 HydrophobicContact CB-CD2 4.03Å; Q13-L146 HydrophobicContact CB-CG 3.84Å; V66-L146 HydrophobicContact CG1-CD1 4.22Å; V66-L146 HydrophobicContact CG2-CD1 3.8Å; S144-L146 PolarHBondContact O-N 3.2Å
147S92.3Very high92.1Very high46 Ų4650.6 Ų50.632%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-160.6133.4177.169.90000111F10 K11F10-S147 CarbonylContact C-O 3.51Å; F10-S147 WeakPolarHBondContact CA-O 3.47Å; K11-S147 WeakPolarHBondContact CB-OG 3.4Å; K11-S147 WeakPolarHBondContact CD-OG 3.48Å; K11-S147 WeakPolarHBondContact CE-OG 3.3Å; K11-S147 VanDerWaalsContact CG-OG 3.26Å; K11-S147 WeakPolarHBondContact CG-OG 3.47Å; K11-S147 PolarHBondContact N-O 3.3Å; K11-S147 PolarHBondContact O-N 3.17Å
148G90.6Very high91Very high39 Ų3956.2 Ų56.240%0.40234%0.338SS..SBendtrans147.2175.4-178.300000109.5
149D88.9Confident89.3Confident59 Ų5955.7 Ų55.732%0.31635%0.345SS..  trans-74.6128.1170.5178.90.7000109.2K8 F10 C151K8-D149 IonicContact NZ-OD2 2.65Å; K8-D149 PolarHBondContact NZ-OD2 3.49Å; F10-D149 WeakPolarHBondContact CD1-O 3.19Å; F10-D149 HydrophobicContact CE1-CB 4.2Å; F10-D149 WeakPolarHBondContact CE1-O 3.35Å; D149-C151 PolarHBondContact O-N 3.01Å; D149-C151 WeakPolarHBondContact OD1-CB 3.43Å; D149-C151 PolarHBondContact OD1-N 2.9Å; D149-C151 PolarHBondContact OD1-SG 2.82Å
150P88Confident87.2Confident98 Ų9865.4 Ų65.464%0.63639%0.387SS*.SBendtrans-60.8-18.9172.5-24.235.6000113.7L145 F152L145-P150 HydrophobicContact CD2-CB 4.44Å; L145-P150 HydrophobicContact CD2-CG 4.22Å; P150-F152 VanDerWaalsContact C-N 3.33Å; P150-F152 WeakPolarHBondContact O-CD1 3.43Å; P150-F152 PolarHBondContact O-N 3.08Å
151C88.5Confident84.6Confident91 Ų9169.1 Ų69.162%0.61541%0.413SS*.  trans-79.274.2179-48.30000112D149D149-C151 PolarHBondContact O-N 3.01Å; D149-C151 WeakPolarHBondContact OD1-CB 3.43Å; D149-C151 PolarHBondContact OD1-N 2.9Å; D149-C151 PolarHBondContact OD1-SG 2.82Å
152F91.8Very high82.2Confident43 Ų4375.4 Ų75.419%0.18945%0.446CS..  trans-123.1163.9170.364.9-94.7000111.6F10 F12 L78 A111 L145 P150 T154F10-F152 HydrophobicContact CD1-CD1 4.33Å; F10-F152 HydrophobicContact CE1-CB 4.04Å; F10-F152 HydrophobicContact CE1-CD1 4.34Å; F10-F152 HydrophobicContact CZ-CB 4.1Å; F12-F152 AromaticContact CE1-CE1 3.9Å; F12-F152 HydrophobicContact CE1-CE1 3.9Å; F12-F152 AromaticContact CE1-CZ 3.78Å; F12-F152 HydrophobicContact CE1-CZ 3.78Å; F12-F152 HydrophobicContact CZ-CD1 4.29Å; F12-F152 AromaticContact CZ-CE1 3.84Å; F12-F152 HydrophobicContact CZ-CE1 3.84Å; F12-F152 HydrophobicContact CZ-CE2 4.24Å; F12-F152 AromaticContact CZ-CZ 3.82Å; F12-F152 HydrophobicContact CZ-CZ 3.82Å; L78-F152 HydrophobicContact CD1-CD2 3.58Å; L78-F152 HydrophobicContact CD1-CE2 3.91Å; L78-F152 HydrophobicContact CD1-CG 4.33Å; L78-F152 HydrophobicContact CD2-CB 4.19Å; L78-F152 HydrophobicContact CD2-CD2 4.38Å; L78-F152 HydrophobicContact CD2-CG 4.36Å; L78-F152 HydrophobicContact CG-CB 4.29Å; L78-F152 HydrophobicContact CG-CD2 3.91Å; L78-F152 HydrophobicContact CG-CG 4.34Å; A111-F152 HydrophobicContact CB-CE2 3.65Å; A111-F152 HydrophobicContact CB-CZ 4Å; A111-F152 WeakPolarHBondContact O-CE2 3.01Å; L145-F152 HydrophobicContact CD2-CE1 4.47Å; P150-F152 VanDerWaalsContact C-N 3.33Å; P150-F152 WeakPolarHBondContact O-CD1 3.43Å; P150-F152 PolarHBondContact O-N 3.08Å; F152-T154 HydrophobicContact CE2-CG2 4.13Å
153K92.6Very high79.2Confident136 Ų13680.7 Ų80.759%0.59148%0.476SS*.BIsolated β-bridgetrans-116.6138.4170.2-63.3179.4-177.8173.40109.6G76 L77 L78G76-K153 PolarHBondContact O-N 3.47Å; L77-K153 CarbonylContact C-O 3.55Å; L77-K153 WeakPolarHBondContact CA-O 3.06Å; L77-K153 HydrophobicContact CB-CB 4.45Å; L78-K153 PolarHBondContact N-O 2.84Å
154T92.5Very high76.7Confident53 Ų5386.3 Ų86.333%0.32551%0.505SS..PPolyproline II helixtrans-80155.4170.751.30000110.9L78 A108 A111 F152L78-T154 HydrophobicContact CD1-CG2 4.49Å; A108-T154 WeakPolarHBondContact O-CB 3.12Å; A108-T154 VanDerWaalsContact O-CG2 3.25Å; A108-T154 WeakPolarHBondContact O-CG2 3.42Å; A111-T154 HydrophobicContact CB-CG2 4.09Å; A111-T154 WeakPolarHBondContact O-CG2 3.45Å; F152-T154 HydrophobicContact CE2-CG2 4.13Å
155P89.4Confident73.6Confident16 Ų1689.6 Ų89.610%0.10453%0.526CS..PPolyproline II helixtrans-60.6153.3162.4-20.334.3000110.9L77 A108 S157L77-P155 HydrophobicContact CD2-CG 4.41Å; A108-P155 HydrophobicContact CB-CG 3.93Å; A108-P155 VanDerWaalsContact O-CD 3.26Å; A108-P155 WeakPolarHBondContact O-CD 3.18Å; P155-S157 PolarHBondContact O-N 2.81Å
156P84.9Confident71.1Confident115 Ų11590.5 Ų90.575%0.74755%0.549SS*.PPolyproline II helixtrans-53136.5168.3-2333.6000110.1T158P156-T158 PolarHBondContact O-N 3.14Å
157S79.7Confident68.4Low60 Ų6094.1 Ų94.142%0.4256%0.564SS.*PPolyproline II helixtrans-75128.3-174.4-163.50000111.2E109 R118 P155 A159E109-S157 WeakPolarHBondContact OE2-CA 3.48Å; E109-S157 WeakPolarHBondContact OE2-CB 3.21Å; E109-S157 PolarHBondContact OE2-OG 2.95Å; R118-S157 PolarHBondContact NH1-OG 2.9Å; R118-S157 PolarHBondContact NH2-OG 2.79Å; P155-S157 PolarHBondContact O-N 2.81Å; S157-A159 PolarHBondContact O-N 2.85Å
158T71.6Confident65.5Low118 Ų11899 Ų9972%0.72459%0.586SS**  trans-77.239.1-179-38.20000111.3E109 P156E109-T158 VanDerWaalsContact CD-N 3.29Å; E109-T158 WeakPolarHBondContact OE1-CB 3.46Å; E109-T158 PolarHBondContact OE1-N 3.24Å; E109-T158 PolarHBondContact OE1-OG1 3.48Å; E109-T158 PolarHBondContact OE2-N 3.06Å; P156-T158 PolarHBondContact O-N 3.14Å
159A60Low63.3Low46 Ų46102.7 Ų102.738%0.3861%0.606SS.*  trans-86.9130.8-173.700000111.4S157S157-A159 PolarHBondContact O-N 2.85Å
160K52.2Low60.8Low203 Ų203106.2 Ų106.288%0.88363%0.629SS**  trans-94.391143-66.8-173.5-178.9-177.40106.3I162K160-I162 PolarHBondContact O-N 2.86Å
161S43Very low58.5Low96 Ų96108.9 Ų108.967%0.67164%0.638SS**  trans-70.298.7-178.751.60000110.2T163S161-T163 VanDerWaalsContact C-N 3.3Å; S161-T163 PolarHBondContact O-N 2.86Å
162I44.4Very low56.1Low133 Ų133113.2 Ų113.268%0.68265%0.649SS**  trans-74.690.1165.9-53174.9000106.7K160 I164K160-I162 PolarHBondContact O-N 2.86Å; I162-I164 PolarHBondContact O-N 3.04Å; I162-I164 VanDerWaalsContact O-N 3.14Å
163T33.3Very low53.6Low118 Ų118118.9 Ų118.972%0.72468%0.68SS**  trans-64.1109.9168.739.90000108.6S161 P165S161-T163 VanDerWaalsContact C-N 3.3Å; S161-T163 PolarHBondContact O-N 2.86Å; T163-P165 WeakPolarHBondContact O-CD 3.17Å
164I41.9Very low50.6Low130 Ų130118.2 Ų118.267%0.66769%0.688SS**  trans-64.5121169.8-57.7173.7000106.9I162 G166I162-I164 PolarHBondContact O-N 3.04Å; I162-I164 VanDerWaalsContact O-N 3.14Å; I164-G166 PolarHBondContact O-N 2.85Å
165P29.4Very low48Very low130 Ų130121.8 Ų121.884%0.84471%0.713SS**THydrogen-bonded Turntrans-62.1131.4177.8-22.134.1000110.7T163T163-P165 WeakPolarHBondContact O-CD 3.17Å
166G44Very low45.7Very low79 Ų79128.9 Ų128.981%0.81474%0.743SS**THydrogen-bonded Turntrans97.620.5173.600000117.1I164I164-G166 PolarHBondContact O-N 2.85Å
167Q37.3Very low43.4Very low168 Ų168127.2 Ų127.279%0.78575%0.746SS**  trans-114.796.2162.5-167.6170.534.300110.7S169Q167-S169 PolarHBondContact O-N 2.97Å; Q167-S169 VanDerWaalsContact O-N 3.16Å
168D32Very low41.2Very low148 Ų148132.6 Ų132.679%0.79177%0.765SS**  trans-61.8113.5178.6-69.3-64.3000111.5T170D168-T170 VanDerWaalsContact C-N 3.27Å; D168-T170 PolarHBondContact O-N 3.46Å
169S43Very low39.3Very low116 Ų116130.2 Ų130.281%0.81176%0.764SS**  trans-77.776.8174.546.60000110.3Q167 L171Q167-S169 PolarHBondContact O-N 2.97Å; Q167-S169 VanDerWaalsContact O-N 3.16Å; S169-L171 PolarHBondContact O-N 2.94Å
170T36.7Very low38.1Very low133 Ų133135 Ų13582%0.81679%0.789SS**  trans-53.1106177.2-56.50000111D168D168-T170 VanDerWaalsContact C-N 3.27Å; D168-T170 PolarHBondContact O-N 3.46Å
171L40.1Very low37.2Very low155 Ų155132 Ų13281%0.81279%0.788SS**  trans-8.2135.1175.6-57.8173.4000117.8S169 L173S169-L171 PolarHBondContact O-N 2.94Å; L171-L173 PolarHBondContact O-N 3.23Å
172Q39.2Very low36.8Very low182 Ų182132.7 Ų132.785%0.8579%0.792SS**  trans-53125.6170.9-64.2-177.311.900111.5T174Q172-T174 PolarHBondContact O-N 3.07Å
173L37.5Very low36.2Very low162 Ų162131.3 Ų131.385%0.84879%0.794SS**  trans-74106158.8-70.9173.7000108.3L171 C175L171-L173 PolarHBondContact O-N 3.23Å; L173-C175 PolarHBondContact O-N 2.89Å
174T31.3Very low36.1Very low122 Ų122132.9 Ų132.975%0.74880%0.799SS**  trans-61105.7168.3-75.40000109Q172 K176Q172-T174 PolarHBondContact O-N 3.07Å; T174-K176 HydrophobicContact CG2-CB 4.4Å; T174-K176 PolarHBondContact O-N 2.97Å
175C36.8Very low35.7Very low127 Ų127132 Ų13286%0.85880%0.804SS**  trans-72.566.7176.9-63.20000111.7L173 G177L173-C175 PolarHBondContact O-N 2.89Å; C175-G177 PolarHBondContact O-N 3.02Å
176K41.6Very low35.8Very low166 Ų166131.5 Ų131.572%0.72280%0.803SS**  trans-74.6102.7167.4-167.6-173.5179.4-157.20107.8T174 E178T174-K176 HydrophobicContact CG2-CB 4.4Å; T174-K176 PolarHBondContact O-N 2.97Å; K176-E178 PolarHBondContact O-N 2.99Å
177G35.8Very low35.2Very low80 Ų80133.2 Ų133.283%0.82580%0.803SS**  trans-67.2123.9179.300000111.4C175C175-G177 PolarHBondContact O-N 3.02Å
178E33.3Very low34.9Very low172 Ų172128.9 Ų128.980%0.80480%0.796SS**  trans-122.7150.9172-157.2156.1122.200109.5K176K176-E178 PolarHBondContact O-N 2.99Å
179G32.1Very low34.8Very low69 Ų69127.4 Ų127.471%0.71179%0.792SS**  trans-78.4139.6-156.200000115.7T181G179-T181 PolarHBondContact O-N 3.38Å
180T35Very low34.4Very low147 Ų147130.1 Ų130.190%0.90280%0.796SS**  trans-67.3108.2172.3-48.40000111.9
181T33.4Very low34.2Very low140 Ų140127.5 Ų127.586%0.85980%0.795SS**  trans-130.6161.8154.955.10000109.9G179G179-T181 PolarHBondContact O-N 3.38Å
182S33.9Very low33.8Very low109 Ų109125.6 Ų125.676%0.76280%0.795SS**  trans-106146.4-15949.60000114.4
183S32.2Very low33.5Very low104 Ų104123.6 Ų123.673%0.72779%0.79SS**  156.4158.6112.4590000114.9
184N31.8Very low33.5Very low152 Ų152127 Ų12781%0.81379%0.791SS**  trans56.6107.5152.7-65.99.6000122.4
185S33Very low33.6Very low112 Ų112130.3 Ų130.378%0.78380%0.798SS**  trans-16.1136.3137.4-40.70000117.9
186S30.9Very low33.3Very low118 Ų118131.2 Ų131.283%0.82580%0.8SS**  167.1153.297.153.50000115.5
187S31.7Very low32.9Very low115 Ų115132.9 Ų132.980%0.80481%0.807SS**  trans57.4118.4149.4-128.40000124
188A31.5Very low32.9Very low77 Ų77135.2 Ų135.264%0.63681%0.808SS**  78.1128.7124.300000124.5
189T30.8Very low32.9Very low118 Ų118138.1 Ų138.172%0.72481%0.811SS**  trans71.8118.9138.549.20000123.5
190I34.5Very low33.2Very low172 Ų172140.6 Ų140.688%0.88282%0.815SS**  53.3118.2129-52.9172.2000118.7
191G31.1Very low33Very low78 Ų78139.9 Ų139.980%0.80481%0.81SS**  trans-178.4137.8159.300000112
192S32.7Very low32.9Very low116 Ų116140.4 Ų140.481%0.81181%0.806SS**  trans-128.1146.7179.2-173.60000111.5
193L33.7Very low33.1Very low140 Ų140143.4 Ų143.473%0.73381%0.813SS**  trans65.4113.2157.8-156.384000117.9
194R35.8Very low32.8Very low234 Ų234144.2 Ų144.288%0.88382%0.818SS**  -179.9161107.6-93.8172.6-167.3-153.8-0.4112.9
195Q33.8Very low32.7Very low191 Ų191143 Ų14389%0.89382%0.822SS**  trans-97.6147.9-179.6-59.6166.5-26.300111.3
196T31.9Very low32.4Very low145 Ų145140.9 Ų140.989%0.8982%0.818SS**  trans-143.1152154.547.10000111.1
197K32.8Very low32.4Very low202 Ų202142 Ų14288%0.87882%0.819SS**  trans-88.5149.3179.8-68.7174.2175.1175.90111.4
198P34.3Very low33.1Very low129 Ų129141.9 Ų141.984%0.83882%0.816SS**  trans-83150.2162.734.4-33.1000112.1
199R33.2Very low33Very low233 Ų233147.5 Ų147.588%0.87983%0.829SS**  trans-142.1137.3159-172.5177.2-178168.42.4107.5
200P40.2Very low33.1Very low120 Ų120149.9 Ų149.978%0.77983%0.832SS**  trans-80.8158.5-17332.4-36.7000113.3
201T29.6Very low33.6Very low133 Ų133146.6 Ų146.682%0.81682%0.822SS**  trans-118.3137.5171.4-58.80000109.6
202I32.1Very low33.5Very low151 Ų151148.7 Ų148.777%0.77482%0.815SS**  trans-103.3139.4176.2-61.6166.2000108.4
203L37.6Very low33.6Very low171 Ų171149.5 Ų149.590%0.89581%0.805SS**  trans-140.8146.7158.4-75.4179.8000109.8
204S26.5Very low33.3Very low121 Ų121148.4 Ų148.485%0.84680%0.8SS**  trans-155133.6-178.1-178.80000111
205S29.8Very low33Very low126 Ų126144.4 Ų144.488%0.88180%0.796SS**  trans177143.7165.3-1710000108.2
206G27Very low32.8Very low68 Ų68140.2 Ų140.270%0.70179%0.788SS**  cis-171.1143.5-3.700000113.6
207V30.8Very low32.7Very low142 Ų142139 Ų13986%0.86179%0.785SS**  trans-41.7159.4161.7150.30000114.1
208P45.6Very low33.3Very low113 Ų113134.6 Ų134.673%0.73478%0.777SS**  cis-140.7165.228.931.9-9.1000120
209E29Very low33.1Very low194 Ų194137.2 Ų137.291%0.90778%0.778SS**  -164.4162.1108.3-117.2-178.9124.800111.4
210E34Very low33Very low168 Ų168133.6 Ų133.679%0.78577%0.771SS**  trans-150.9178.7-165.2-96.4-87.4124.500109
211P44Very low32.7Very low103 Ų103134.1 Ų134.167%0.66977%0.772SS**  cis-113.9-165.6-7.137.6-19.7000111.4
212D30Very low32.8Very low122 Ų122136.1 Ų136.165%0.65277%0.77SS**  cis-167.9178.830.5-149.78.7000108
213Q33.9Very low32.9Very low133 Ų133138 Ų13862%0.62178%0.775SS**  cis-162.4157.88.3-160.9178.794.900110.8
214N28.3Very low32.9Very low117 Ų117135.1 Ų135.163%0.62677%0.769SS**  trans68.5128.6168.4-55.7-53000117.1
215L29.7Very low33.2Very low150 Ų150132.6 Ų132.679%0.78576%0.762SS**  cis76.4128.534.1-52.8171.8000113.9
216S27.9Very low33.5Very low104 Ų104135.1 Ų135.173%0.72776%0.759SS**  cis-166.6164.3-3.3-90.70000113.8
217S31.1Very low34Very low118 Ų118137.7 Ų137.783%0.82577%0.767SS**  trans83.7144148.2-141.30000122.3
218P45.7Very low34.9Very low111 Ų111142 Ų14272%0.72177%0.768SS**  trans-111.3-179.617243.1-34.7000113.9
219E28.6Very low34.6Very low183 Ų183143.9 Ų143.986%0.85577%0.772SS**  trans-163.8-169.8131.5-154.8118.7122.600111.3
220E32.3Very low35.1Very low157 Ų157139.9 Ų139.973%0.73477%0.765SS**  trans-83.8166.1-162.7-54.1179.912200117
221V33.3Very low35.2Very low131 Ų131137.6 Ų137.679%0.79477%0.768SS**  176.9148.3110.6152.10000111.3
222F31Very low34.9Very low176 Ų176142.2 Ų142.277%0.77277%0.773SS**  trans-68156.2179.3-69.1-104.4000113.9
223H34.9Very low35.2Very low191 Ų191141.3 Ų141.388%0.88478%0.782SS**  -164.9148.3116.5-96.1-58000112.5
224S37Very low35.7Very low109 Ų109140.6 Ų140.676%0.76279%0.792SS**  trans-86.7146.2177.1-176.90000111.6
225G33.1Very low36.3Very low68 Ų68142.2 Ų142.270%0.70180%0.796SS**  trans-170.589.2179.500000113.6S227G225-S227 PolarHBondContact O-N 2.75Å
226H37.5Very low36.6Very low179 Ų179144.5 Ų144.583%0.82980%0.803SS**  trans-70.898.5174.4-66.9-70.4000111.3R228H226-R228 PolarHBondContact O-N 3.12Å
227S37Very low36.9Very low123 Ų123145.3 Ų145.386%0.8681%0.808SS**  trans-63.1116.1175-172.70000111.2G225G225-S227 PolarHBondContact O-N 2.75Å
228R50Low37.3Very low232 Ų232149.6 Ų149.688%0.87581%0.812SS**  trans-91.2123.9174.2-84.5-179.1151.9126.8-5.8110H226 S230H226-R228 PolarHBondContact O-N 3.12Å; R228-S230 PolarHBondContact O-N 2.96Å
229N37.9Very low36.8Very low153 Ų153152 Ų15282%0.81882%0.817SS**  trans-62.9110.9-179.7-175.3101.4000111.8
230S39.9Very low37.3Very low109 Ų109148.5 Ų148.576%0.76281%0.813SS**  trans-88.7135.2179.651.70000112.8R228R228-S230 PolarHBondContact O-N 2.96Å
231S35.9Very low37.3Very low121 Ų121144.9 Ų144.985%0.84682%0.817SS**  trans-86.9123.3-178.6-57.80000111.5
232Y38.3Very low37.5Very low200 Ų200148.9 Ų148.978%0.78482%0.82SS**  trans-129.488-176.5-167-90.1000112.5Q235Y232-Q235 PolarHBondContact OH-NE2 2.6Å
233A36.9Very low37.8Very low102 Ų102145.8 Ų145.884%0.84382%0.82SS**  trans-161.849.8175.200000115.2
234S44.5Very low38Very low118 Ų118140.9 Ų140.983%0.82580%0.804SS**  trans-143.971.9171.766.60000113.5
235Q40Very low37.8Very low152 Ų152142.7 Ų142.771%0.7180%0.8SS**  trans-144.178174.5-75.3-158.565.200113Y232Y232-Q235 PolarHBondContact OH-NE2 2.6Å
236Q36.7Very low37.9Very low198 Ų198147.4 Ų147.493%0.92580%0.803SS**  trans-147.984.9151.8-78.1-150.18.500111.3
237S33.9Very low38Very low121 Ų121143.9 Ų143.985%0.84680%0.799SS**  trans-150.589.116639.80000110.6
238K38.3Very low37.8Very low208 Ų208150.1 Ų150.190%0.90480%0.804SS**  trans-111.1146.7157.1-58.5-177.2-178.9-177.60105.7
239I36.8Very low37Very low160 Ų160144.7 Ų144.782%0.82180%0.801SS**  cis-147.716817.6-164.7161.5000111.3
240S38Very low36.7Very low111 Ų111143.3 Ų143.378%0.77680%0.804SS**  trans-84.2157.5177.651.80000114.8
241G33.2Very low36.5Very low80 Ų80142.8 Ų142.883%0.82580%0.8SS**  trans-169.9132.6162.800000110.7
242Y37Very low36.2Very low215 Ų215145.8 Ų145.884%0.84380%0.803SS**  trans-141.4131-166-166.6-84.1000112T244Y242-T244 WeakPolarHBondContact CE1-OG1 3.33Å
243S37.2Very low36.2Very low111 Ų111140.6 Ų140.678%0.77680%0.796SS**  trans179.9133.9162.7-96.80000107.2
244T38.8Very low35.9Very low89 Ų89142.4 Ų142.455%0.54679%0.791SS.*  cis72.7114.533.3-46.50000109.8Y242Y242-T244 WeakPolarHBondContact CE1-OG1 3.33Å
245E33.1Very low35.3Very low147 Ų147143.5 Ų143.569%0.68779%0.787SS**  cis-160.5173.628.2-137.2161.6-169.200115.5
246H34.9Very low35.1Very low166 Ų166142.3 Ų142.377%0.76979%0.791SS**  trans55.2102.5154.7-62.1-36.4000124.3
247S39.4Very low35.7Very low105 Ų105142.2 Ų142.273%0.73479%0.79SS**  29.5128.7116.3-49.20000122.5
248R32.8Very low35.7Very low254 Ų254146.5 Ų146.596%0.95879%0.787SS**  -155.8161.9123.6-84-136.5167.7148.22.1112.1
249S33.8Very low35.9Very low118 Ų118147.4 Ų147.483%0.82579%0.785SS**  trans-130.5143.1-178.3171.70000110.6
250S31.4Very low36Very low124 Ų124145.8 Ų145.887%0.86778%0.778SS**  trans-160.6154.7154.552.30000111.4
251S35.1Very low36Very low98 Ų98146.9 Ų146.969%0.68578%0.78SS**  trans-115.8152177.9174.60000109.7
252M30.6Very low36.2Very low184 Ų184148 Ų14891%0.90678%0.776SS**  trans-156164.5149.2-98.4-49.3130.600111.4
253S37.5Very low36.1Very low91 Ų91143.9 Ų143.964%0.63677%0.773SS**  trans-107175.6-164.4-57.20000115.2
254D32Very low36Very low141 Ų141143.4 Ų143.475%0.75477%0.77SS**  trans95.8131.3141.4-72.6-48.7000123.7
255L32Very low35.8Very low141 Ų141145.3 Ų145.374%0.73879%0.786SS**  trans35.3118.7142-93.268.9000119.5
256T34.1Very low36Very low127 Ų127144.2 Ų144.278%0.77980%0.795SS**  178.9159.468.2330000111.8
257H50.7Low36Very low195 Ų195141 Ų14190%0.90380%0.797SS**  trans-78.1139.4159.7-71.5-82.4000111.2
258R33.5Very low35.9Very low211 Ų211142.3 Ų142.380%0.79681%0.806SS**  trans-134121.3159.4-129.2-176.3-171-904.4112.1N260R258-N260 PolarHBondContact NH1-OD1 2.89Å
259R42.9Very low35.8Very low227 Ų227134 Ų13486%0.85780%0.799SS**  trans-73149.3154-81.1176.9-100.5138.2-5.7108.3
260N37.5Very low35.6Very low127 Ų127131.8 Ų131.868%0.67980%0.795SS**  trans-136.4144.1152.3-86.8-15.1000108R258R258-N260 PolarHBondContact NH1-OD1 2.89Å
261T38.2Very low35.8Very low134 Ų134134.1 Ų134.182%0.82280%0.797SS**  trans-134.4110.1-179.646.50000109
262S38.5Very low35.5Very low104 Ų104134.4 Ų134.473%0.72780%0.799SS**  trans-174.6154178.640.30000109.2
263T34.3Very low35.7Very low127 Ų127133.2 Ų133.278%0.77979%0.793SS**  cis-155.4156.3-16.7-93.70000108
264S34.3Very low35.4Very low102 Ų102135 Ų13571%0.71380%0.801SS**  trans-58.5152.3175.153.10000114.6
265S35.7Very low35.5Very low128 Ų128135 Ų13590%0.89581%0.805SS**  trans-155.8146.6139.6-97.30000111
266S37.7Very low35.3Very low124 Ų124137.1 Ų137.187%0.86781%0.812SS**  trans-113.7147.5-175.2-48.70000110.9
267A33.6Very low35.1Very low98 Ų98137 Ų13781%0.8181%0.814SS**  trans-158.6118.3157.900000113.4
268S37.5Very low34.9Very low134 Ų134132.7 Ų132.794%0.93780%0.804SS**  trans33135.2141.6-1590000122.7
269G30.5Very low34.6Very low78 Ų78131.9 Ų131.980%0.80481%0.809SS**  trans143.2104.113200000118.6
270G30.3Very low34Very low72 Ų72124.4 Ų124.474%0.74280%0.803SS**  trans129.890.2139.800000121.2
271L34.4Very low33.7Very low174 Ų174125.5 Ų125.591%0.91180%0.804SS**  trans69.5121.4134.3-55.3177.1000123.6
272S30.6Very low33.5Very low104 Ų104128.6 Ų128.673%0.72780%0.8SS**  trans54.7108.1139.6-150.10000120.1
273M33.9Very low33.2Very low158 Ų158129 Ų12978%0.77879%0.794SS**  67.6121.662.3-67-113.663.300116.4
274T30.3Very low33.3Very low129 Ų129131.3 Ų131.379%0.79180%0.796SS**  179.1165.4123.329.50000112.8
275V33.9Very low33.3Very low141 Ų141136 Ų13686%0.85580%0.803SS**  trans80.2157.2171.1-161.50000116.3
276E29.2Very low33.2Very low186 Ų186137.6 Ų137.687%0.86980%0.801SS**  trans-115.2-178.5-145.2-55.4-178.8112.700115.9
277C29.3Very low33Very low124 Ų124139.8 Ų139.884%0.83880%0.798SS**  trans-77.7-172.7175.4-500000112
278P46.8Very low33.2Very low104 Ų104144.4 Ų144.468%0.67580%0.8SS**  cis-140.8-164.42.644-24.1000116
279E27.7Very low33.5Very low194 Ų194143.1 Ų143.191%0.90779%0.788SS**  trans70.5158.1158.7-68.4-17712500120.6
280G29.4Very low34.5Very low71 Ų71145.4 Ų145.473%0.73279%0.789SS**  trans124.574.5162.900000118.8
281E30.8Very low35.1Very low149 Ų149153.3 Ų153.370%0.69680%0.796SS**  trans51.5131.7141.3-58.5-156.772.500124.3
282R34.8Very low35.9Very low200 Ų200150 Ų15076%0.75579%0.785SS**  35.6139.4122.9-61.7-168.6-79.9-159.10.4120.3
283D32Very low36.9Very low112 Ų112151.1 Ų151.160%0.59979%0.79SS**  cis-165.1172.98.3-130.4-45.1000115.3
284H36.9Very low37.3Very low176 Ų176154.9 Ų154.982%0.81580%0.795SS**  trans67.4147.5151.7-65.6-3.9000121.6
285K34.2Very low37.8Very low199 Ų199154.6 Ų154.687%0.86580%0.796SS**  trans-134.8120.9-170166.1-143.8174.2-168.30110.5
286L32.6Very low38.1Very low162 Ų162152.3 Ų152.385%0.84879%0.791SS**  trans-151103.7161.9-134.772.6000108.2
287E34Very low38.5Very low170 Ų170151.4 Ų151.479%0.79479%0.792SS**  73.212899.6-162.7177.3168.100115.5
288K37.4Very low38.9Very low196 Ų196153.6 Ų153.685%0.85279%0.794SS**  trans-152.1135.7168.2-146.7158.3-170.1164.60108.8
289P44.7Very low38.6Very low106 Ų106156.5 Ų156.569%0.68880%0.803SS**PPolyproline II helixtrans-75.4158.2-159.627.4-36.3000115
290P52Low39Very low127 Ų127154.6 Ų154.683%0.82580%0.799SS**PPolyproline II helixtrans-68.3154.6178.829-35.6000113.2
291R42.8Very low39.4Very low237 Ų237162.2 Ų162.289%0.89481%0.806SS**PPolyproline II helixtrans-84.6136.6179.7-175.2179.6-69.5148.2-1.8110.5
292P50.3Low39.8Very low106 Ų106161 Ų16169%0.68881%0.81SS**PPolyproline II helixtrans-66.3154-178.526.6-35.5000113.2
293P51.5Low39.9Very low126 Ų126156.8 Ų156.882%0.81881%0.812SS**PPolyproline II helixtrans-69.3154.2178.929.9-35.5000112.2
294R42.3Very low40.2Very low238 Ų238163 Ų16390%0.89883%0.827SS**PPolyproline II helixtrans-87.3139.3173.5-67.6-178.7175.7-177.9-2.1110.3
295P40.8Very low40.6Very low123 Ų123166.7 Ų166.780%0.79983%0.834SS**PPolyproline II helixtrans-60.3147.9169.5-22.533.8000112.1
296A40.5Very low40.9Very low92 Ų92165.6 Ų165.676%0.7683%0.829SS**PPolyproline II helixtrans-75138.9170.700000110.6L298A296-L298 PolarHBondContact O-N 2.83Å
297L37.6Very low41.6Very low167 Ų167167.6 Ų167.687%0.87483%0.831SS**  trans-81.3112.1171.7-68172.8000109.2L299L297-L299 PolarHBondContact O-N 3.38Å
298L37.8Very low41.5Very low170 Ų170165 Ų16589%0.8982%0.823SS**  trans-75.8118.5164.8-70.5174.5000109A296A296-L298 PolarHBondContact O-N 2.83Å
299L40.8Very low41.9Very low165 Ų165161.3 Ų161.386%0.86482%0.821SS**  trans-77.5115158.3-104.170.9000107.4L297L297-L299 PolarHBondContact O-N 3.38Å
300D36.3Very low42.1Very low155 Ų155162.2 Ų162.283%0.82982%0.824SS**  trans-145.6126.8149.9-134.2-32000110.3
301R37.2Very low41.9Very low231 Ų231162.7 Ų162.787%0.87282%0.816SS**  trans-149.479.5-174.1-168.3-171.6-170.9-1704.8110.2S303R301-S303 PolarHBondContact O-N 3.43Å; R301-S303 VanDerWaalsContact O-N 3.11Å
302P40.3Very low42.1Very low122 Ų122157.3 Ų157.379%0.79281%0.814SS**  trans-66.2111.9174.627.1-33.5000109.9
303S36.6Very low42Very low112 Ų112159.4 Ų159.478%0.78381%0.814SS**  trans-86.2124.1166.960.90000109.4R301R301-S303 PolarHBondContact O-N 3.43Å; R301-S303 VanDerWaalsContact O-N 3.11Å
304R37.4Very low42.1Very low243 Ų243158.4 Ų158.492%0.91781%0.808SS**  trans-152.4121.6162.9-118.9171.2-176.1173.61.2111K306R304-K306 PolarHBondContact O-N 2.66Å
305R45.4Very low43Very low254 Ų254151.2 Ų151.296%0.95879%0.791SS**  trans-67.7118.6156.2-76176.9170.7167.6-4.8107.1
306K40.2Very low43.7Very low175 Ų175156.1 Ų156.176%0.76179%0.793SS**  trans-140.4124.5150.3-151.9-175.3-174.1-133.30107.8R304 D308R304-K306 PolarHBondContact O-N 2.66Å; K306-D308 WeakPolarHBondContact CD-OD2 3.25Å; K306-D308 WeakPolarHBondContact CE-OD2 3.44Å; K306-D308 WeakPolarHBondContact CG-OD2 3.38Å; K306-D308 IonicContact NZ-OD2 3.95Å; K306-D308 PolarHBondContact NZ-OD2 3.19Å
307K46.9Very low44.5Very low205 Ų205156 Ų15689%0.89178%0.783SS**  trans-94.3111.3169.3171.9-174.3174.8-178.40105.9
308D33.5Very low45.2Very low116 Ų116150.7 Ų150.762%0.6276%0.755SS**  trans-142.2156.8162.9-74.5-60.6000107.8K306K306-D308 WeakPolarHBondContact CD-OD2 3.25Å; K306-D308 WeakPolarHBondContact CE-OD2 3.44Å; K306-D308 WeakPolarHBondContact CG-OD2 3.38Å; K306-D308 IonicContact NZ-OD2 3.95Å; K306-D308 PolarHBondContact NZ-OD2 3.19Å
309S45.9Very low46.1Very low118 Ų118148.4 Ų148.483%0.82574%0.744SS**  trans-82.3154-177.6-167.20000112.4
310V48.7Very low47.3Very low124 Ų124146.6 Ų146.675%0.75274%0.74SS**  trans166.4145137.9151.90000110.1
311E47.4Very low49.2Very low138 Ų138147.4 Ų147.465%0.64573%0.731SS**  trans22.5107.2169.6-106.562.6-162.300119.7H313E311-H313 PolarHBondContact O-N 2.75Å
312S47.8Very low51.2Low123 Ų123143.2 Ų143.286%0.8673%0.725SS**  trans-84.185.2160.1-179.60000110.4
313H46.7Very low53.1Low150 Ų150141.6 Ų141.669%0.69471%0.71SS**PPolyproline II helixtrans-61.4127.4170-65.3-49.3000110.5E311 T315E311-H313 PolarHBondContact O-N 2.75Å; H313-T315 PolarHBondContact O-N 2.82Å
314P54.6Low55.3Low105 Ų105139.2 Ų139.268%0.68270%0.696SS**PPolyproline II helixtrans-64.4132.5-177.125.7-33.9000110.6
315T60.6Low57.6Low87 Ų87133.6 Ų133.653%0.53468%0.684SS.*PPolyproline II helixtrans-89.6146.5174.7-56.70000108.8H313 V317 D318H313-T315 PolarHBondContact O-N 2.82Å; T315-V317 HydrophobicContact CG2-CG2 3.98Å; T315-V317 PolarHBondContact O-N 2.77Å; T315-D318 WeakPolarHBondContact CB-OD2 3.5Å; T315-D318 PolarHBondContact N-OD2 3.15Å; T315-D318 WeakPolarHBondContact O-CB 3.26Å; T315-D318 PolarHBondContact O-N 3.15Å
316R55Low59.5Low227 Ų227126.8 Ų126.886%0.85767%0.667SS**THydrogen-bonded Turntrans-56.20-177.8-172.9173.3169.3-167.3-2.2116.7
317V58.2Low61.7Low88 Ų88122.2 Ų122.253%0.53365%0.65SS.*THydrogen-bonded Turntrans-97.2-17.3170.6-75.90000113.2T315 T320T315-V317 HydrophobicContact CG2-CG2 3.98Å; T315-V317 PolarHBondContact O-N 2.77Å; V317-T320 PolarHBondContact O-OG1 3.17Å
318D51.6Low63.6Low56 Ų56116.3 Ų116.330%0.29963%0.631SS.*G310 helixtrans-84.1-23.6-180-57.7-60000112.1T315 T320 R321T315-D318 WeakPolarHBondContact CB-OD2 3.5Å; T315-D318 PolarHBondContact N-OD2 3.15Å; T315-D318 WeakPolarHBondContact O-CB 3.26Å; T315-D318 PolarHBondContact O-N 3.15Å; D318-T320 PolarHBondContact O-N 3.16Å; D318-R321 PolarHBondContact O-N 3.11Å; D318-R321 WeakPolarHBondContact OD1-CD 3.17Å; D318-R321 IonicContact OD1-CZ 3.71Å; D318-R321 IonicContact OD1-NE 2.77Å; D318-R321 IonicContact OD1-NH1 2.62Å; D318-R321 PolarHBondContact OD1-NH1 3.15Å
319D57.4Low66.2Low123 Ų123116.1 Ų116.166%0.65863%0.627SS**G310 helixtrans-54.9-5.2170.8-63.5-37.3000115
320T64.7Low68.2Low126 Ų126117.9 Ų117.977%0.77362%0.619SS**G310 helixtrans-124.55.1178.258.20000113.6V317 D318V317-T320 PolarHBondContact O-OG1 3.17Å; D318-T320 PolarHBondContact O-N 3.16Å
321R76.3Confident70Confident172 Ų172116.3 Ų116.365%0.64961%0.606SS**SBendtrans-96.5126.3171.8-65.9178173.9158.7-4.4107.2D318D318-R321 PolarHBondContact O-N 3.11Å; D318-R321 WeakPolarHBondContact OD1-CD 3.17Å; D318-R321 IonicContact OD1-CZ 3.71Å; D318-R321 IonicContact OD1-NE 2.77Å; D318-R321 IonicContact OD1-NH1 2.62Å; D318-R321 PolarHBondContact OD1-NH1 3.15Å
322I79.4Confident71.7Confident144 Ų144115.4 Ų115.474%0.73860%0.603SS**PPolyproline II helixtrans-81121.5174.6-41.5174.3000106.4I327I322-I327 HydrophobicContact CB-CD1 4.31Å; I322-I327 HydrophobicContact CG2-CD1 3.62Å; I322-I327 HydrophobicContact CG2-CG1 3.75Å
323D81.5Confident73.4Confident88 Ų88116.4 Ų116.447%0.47159%0.594SS.*PPolyproline II helixtrans-68.2141.4174.4-154.5-43.2000109.8D325 D326 I327D323-D325 PolarHBondContact OD1-N 2.81Å; D323-D326 HydrophobicContact CB-CB 4.02Å; D323-I327 WeakPolarHBondContact O-CD1 3.38Å; D323-I327 VanDerWaalsContact O-CG1 3.26Å; D323-I327 WeakPolarHBondContact O-CG1 3.3Å; D323-I327 PolarHBondContact O-N 2.85Å
324A82.9Confident75.1Confident61 Ų61113.3 Ų113.350%0.50459%0.589SS.*Hα-helixtrans-72-35.4175.400000110.9I327 V328A324-I327 PolarHBondContact O-N 2.87Å; A324-V328 WeakPolarHBondContact O-CG2 3.44Å; A324-V328 PolarHBondContact O-N 2.87Å
325D85.5Confident76.3Confident125 Ų125113.6 Ų113.667%0.66858%0.582SS**Hα-helixtrans-73.2-39.4-177.1-67.3-17.7000110.4D323 I327 V328 E329D323-D325 PolarHBondContact OD1-N 2.81Å; D325-I327 VanDerWaalsContact C-N 3.32Å; D325-I327 PolarHBondContact O-N 3.16Å; D325-V328 PolarHBondContact O-N 2.77Å; D325-E329 PolarHBondContact O-N 3.39Å
326D85.1Confident77Confident111 Ų111115 Ų11559%0.59459%0.586SS**Hα-helixtrans-56.7-41.6168.9-82.74.2000112.4D323 K330D323-D326 HydrophobicContact CB-CB 4.02Å; D326-K330 WeakPolarHBondContact O-CB 3.35Å; D326-K330 PolarHBondContact O-N 2.81Å
327I85.8Confident77.8Confident79 Ų79110.9 Ų110.941%0.40557%0.574SS.*Hα-helixtrans-64.9-46.5176.9-67.4162.8000109.9I322 D323 A324 D325 K330 I331I322-I327 HydrophobicContact CB-CD1 4.31Å; I322-I327 HydrophobicContact CG2-CD1 3.62Å; I322-I327 HydrophobicContact CG2-CG1 3.75Å; D323-I327 WeakPolarHBondContact O-CD1 3.38Å; D323-I327 VanDerWaalsContact O-CG1 3.26Å; D323-I327 WeakPolarHBondContact O-CG1 3.3Å; D323-I327 PolarHBondContact O-N 2.85Å; A324-I327 PolarHBondContact O-N 2.87Å; D325-I327 VanDerWaalsContact C-N 3.32Å; D325-I327 PolarHBondContact O-N 3.16Å; I327-K330 PolarHBondContact O-N 2.93Å; I327-I331 HydrophobicContact CG2-CD1 3.75Å; I327-I331 HydrophobicContact CG2-CG1 4.46Å; I327-I331 VanDerWaalsContact O-CG1 3.27Å; I327-I331 WeakPolarHBondContact O-CG1 3.44Å; I327-I331 PolarHBondContact O-N 2.86Å
328V87.4Confident78.2Confident81 Ų81112 Ų11249%0.49158%0.582SS.*Hα-helixtrans-65.1-47.2-178.1169.40000110.9A324 D325 K330 I331 M332A324-V328 WeakPolarHBondContact O-CG2 3.44Å; A324-V328 PolarHBondContact O-N 2.87Å; D325-V328 PolarHBondContact O-N 2.77Å; V328-K330 VanDerWaalsContact C-N 3.35Å; V328-K330 PolarHBondContact O-N 3Å; V328-I331 PolarHBondContact O-N 2.77Å; V328-M332 WeakPolarHBondContact O-CG 3.34Å; V328-M332 PolarHBondContact O-N 2.83Å
329E88.2Confident78.2Confident113 Ų113114.7 Ų114.753%0.52860%0.596SS.*Hα-helixtrans-61.6-44.5176.8-171.2177.2-177.700110.7D325 I331 M332 Q333D325-E329 PolarHBondContact O-N 3.39Å; E329-I331 VanDerWaalsContact C-N 3.3Å; E329-I331 PolarHBondContact O-N 2.93Å; E329-M332 CarbonylContact O-C 3.5Å; E329-M332 PolarHBondContact O-N 3.28Å; E329-M332 VanDerWaalsContact O-N 3.08Å; E329-Q333 HydrophobicContact CG-CG 4.16Å; E329-Q333 WeakPolarHBondContact O-CB 3.06Å; E329-Q333 WeakPolarHBondContact O-CG 3.23Å; E329-Q333 PolarHBondContact O-N 3.4Å; E329-Q333 PolarHBondContact OE1-NE2 3.41Å
330K86.4Confident78.2Confident154 Ų154114.2 Ų114.267%0.6760%0.597SS**Hα-helixtrans-62.4-33.9176.9-173.6171.6-174.4170.30113.2D326 I327 V328 S334D326-K330 WeakPolarHBondContact O-CB 3.35Å; D326-K330 PolarHBondContact O-N 2.81Å; I327-K330 PolarHBondContact O-N 2.93Å; V328-K330 VanDerWaalsContact C-N 3.35Å; V328-K330 PolarHBondContact O-N 3Å; K330-S334 VanDerWaalsContact O-CB 3.32Å; K330-S334 WeakPolarHBondContact O-CB 3.39Å; K330-S334 PolarHBondContact O-N 2.64Å; K330-S334 PolarHBondContact O-OG 2.85Å
331I86.8Confident77.6Confident91 Ų91111.3 Ų111.347%0.46758%0.582SS.*Hα-helixtrans-67.1-47.6171-70.8165.9000109.8I327 V328 E329 Q333 S334 Q335I327-I331 HydrophobicContact CG2-CD1 3.75Å; I327-I331 HydrophobicContact CG2-CG1 4.46Å; I327-I331 VanDerWaalsContact O-CG1 3.27Å; I327-I331 WeakPolarHBondContact O-CG1 3.44Å; I327-I331 PolarHBondContact O-N 2.86Å; V328-I331 PolarHBondContact O-N 2.77Å; E329-I331 VanDerWaalsContact C-N 3.3Å; E329-I331 PolarHBondContact O-N 2.93Å; I331-Q333 VanDerWaalsContact C-N 3.31Å; I331-Q333 PolarHBondContact O-N 2.72Å; I331-S334 PolarHBondContact O-N 3.31Å; I331-S334 VanDerWaalsContact O-N 3.13Å; I331-S334 PolarHBondContact O-OG 2.87Å; I331-Q335 HydrophobicContact CG2-CG 4.21Å; I331-Q335 WeakPolarHBondContact O-CG 3.33Å; I331-Q335 PolarHBondContact O-N 3.18Å
332M84.6Confident76.3Confident120 Ų120108.4 Ų108.459%0.59158%0.579SS**Hα-helixtrans-64.9-30.7179.6-68.7-160.173.100113.9V328 E329 F337V328-M332 WeakPolarHBondContact O-CG 3.34Å; V328-M332 PolarHBondContact O-N 2.83Å; E329-M332 CarbonylContact O-C 3.5Å; E329-M332 PolarHBondContact O-N 3.28Å; E329-M332 VanDerWaalsContact O-N 3.08Å; M332-F337 HydrophobicContact CE-CE2 4.39Å
333Q83.4Confident75.2Confident144 Ų144106.7 Ų106.767%0.67358%0.576SS**Hα-helixtrans-79.9-18.5174.5-69.3-178.4800113.7E329 I331E329-Q333 HydrophobicContact CG-CG 4.16Å; E329-Q333 WeakPolarHBondContact O-CB 3.06Å; E329-Q333 WeakPolarHBondContact O-CG 3.23Å; E329-Q333 PolarHBondContact O-N 3.4Å; E329-Q333 PolarHBondContact OE1-NE2 3.41Å; I331-Q333 VanDerWaalsContact C-N 3.31Å; I331-Q333 PolarHBondContact O-N 2.72Å
334S82.4Confident73.6Confident85 Ų85110.4 Ų110.459%0.59459%0.59SS**Hα-helixtrans-106.90.4-178.759.80000114.2K330 I331K330-S334 VanDerWaalsContact O-CB 3.32Å; K330-S334 WeakPolarHBondContact O-CB 3.39Å; K330-S334 PolarHBondContact O-N 2.64Å; K330-S334 PolarHBondContact O-OG 2.85Å; I331-S334 PolarHBondContact O-N 3.31Å; I331-S334 VanDerWaalsContact O-N 3.13Å; I331-S334 PolarHBondContact O-OG 2.87Å
335Q79.3Confident72Confident111 Ų111113.6 Ų113.652%0.51960%0.599SS.*SBendtrans-104.2118168.3-68.3-70.2-88.100108.6I331 F337I331-Q335 HydrophobicContact CG2-CG 4.21Å; I331-Q335 WeakPolarHBondContact O-CG 3.33Å; I331-Q335 PolarHBondContact O-N 3.18Å; Q335-F337 HydrophobicContact CB-CD1 4.42Å; Q335-F337 HydrophobicContact CB-CD2 4.18Å; Q335-F337 HydrophobicContact CB-CE1 3.85Å; Q335-F337 HydrophobicContact CB-CE2 3.58Å; Q335-F337 HydrophobicContact CB-CZ 3.4Å; Q335-F337 HydrophobicContact CG-CE1 4.44Å; Q335-F337 HydrophobicContact CG-CZ 4.02Å; Q335-F337 WeakPolarHBondContact O-CD2 3.41Å; Q335-F337 PolarHBondContact O-N 2.98Å
336D75.3Confident70.5Confident116 Ų116112.6 Ų112.662%0.6260%0.602SS**  trans-83.296170.5-167.7-19.3000109.5T338D336-T338 PolarHBondContact O-N 3.26Å; D336-T338 VanDerWaalsContact OD1-CB 3.29Å; D336-T338 WeakPolarHBondContact OD1-CB 3.26Å; D336-T338 WeakPolarHBondContact OD1-CG2 3.49Å; D336-T338 PolarHBondContact OD1-N 2.94Å; D336-T338 PolarHBondContact OD1-OG1 2.66Å
337F72.6Confident69.4Low141 Ų141111.2 Ų111.262%0.61860%0.595SS**THydrogen-bonded Turntrans-76.25.5177.6-57.3-76.5000113.6M332 Q335M332-F337 HydrophobicContact CE-CE2 4.39Å; Q335-F337 HydrophobicContact CB-CD1 4.42Å; Q335-F337 HydrophobicContact CB-CD2 4.18Å; Q335-F337 HydrophobicContact CB-CE1 3.85Å; Q335-F337 HydrophobicContact CB-CE2 3.58Å; Q335-F337 HydrophobicContact CB-CZ 3.4Å; Q335-F337 HydrophobicContact CG-CE1 4.44Å; Q335-F337 HydrophobicContact CG-CZ 4.02Å; Q335-F337 WeakPolarHBondContact O-CD2 3.41Å; Q335-F337 PolarHBondContact O-N 2.98Å
338T65.6Low68.3Low112 Ų112112.4 Ų112.469%0.68760%0.601SS**THydrogen-bonded Turntrans-87.5-11.6174.873.10000113.3D336 V340D336-T338 PolarHBondContact O-N 3.26Å; D336-T338 VanDerWaalsContact OD1-CB 3.29Å; D336-T338 WeakPolarHBondContact OD1-CB 3.26Å; D336-T338 WeakPolarHBondContact OD1-CG2 3.49Å; D336-T338 PolarHBondContact OD1-N 2.94Å; D336-T338 PolarHBondContact OD1-OG1 2.66Å; T338-V340 PolarHBondContact O-N 3.23Å
339D51.8Low67.5Low112 Ų112115.4 Ų115.460%0.59960%0.604SS**  trans-77.585174.9-164.2-14.8000111.1S341D339-S341 VanDerWaalsContact CG-OG 3.25Å; D339-S341 PolarHBondContact O-N 2.8Å; D339-S341 WeakPolarHBondContact OD1-CB 3.26Å; D339-S341 PolarHBondContact OD1-N 2.8Å; D339-S341 VanDerWaalsContact OD1-N 3.15Å; D339-S341 PolarHBondContact OD1-OG 2.83Å
340V56.5Low66.8Low113 Ų113113.4 Ų113.469%0.68560%0.596SS**  trans-77.429.8175.7-154.50000111.9T338 N342T338-V340 PolarHBondContact O-N 3.23Å; V340-N342 VanDerWaalsContact C-N 3.33Å; V340-N342 PolarHBondContact O-N 2.95Å
341S52.4Low66.3Low65 Ų65108.7 Ų108.746%0.45558%0.576SS.*  trans-74.487.6169.759.10000110.2D339 T343D339-S341 VanDerWaalsContact CG-OG 3.25Å; D339-S341 PolarHBondContact O-N 2.8Å; D339-S341 WeakPolarHBondContact OD1-CB 3.26Å; D339-S341 PolarHBondContact OD1-N 2.8Å; D339-S341 VanDerWaalsContact OD1-N 3.15Å; D339-S341 PolarHBondContact OD1-OG 2.83Å; S341-T343 PolarHBondContact O-N 3.17Å; S341-T343 PolarHBondContact O-OG1 3.43Å
342N50.1Low65.9Low110 Ų110106.8 Ų106.859%0.58857%0.568SS**  trans-60.572.6174.8-61.2-56.4000111.8V340 E344V340-N342 VanDerWaalsContact C-N 3.33Å; V340-N342 PolarHBondContact O-N 2.95Å; N342-E344 PolarHBondContact O-N 3.18Å
343T55Low65.4Low109 Ų109101.4 Ų101.467%0.66954%0.542SS*.THydrogen-bonded Turntrans-87.314.3-177.7-44.40000111.1S341 D345S341-T343 PolarHBondContact O-N 3.17Å; S341-T343 PolarHBondContact O-OG1 3.43Å; T343-D345 VanDerWaalsContact C-N 3.34Å
344E48.4Very low65Low166 Ų166104.5 Ų104.578%0.77655%0.548SS*.THydrogen-bonded Turntrans-83.2-10167.162.6-174.2106.300113.2N342 S346N342-E344 PolarHBondContact O-N 3.18Å; E344-S346 PolarHBondContact O-N 2.87Å
345D48.7Very low64.6Low128 Ų128106.1 Ų106.168%0.68455%0.55SS*.SBendtrans-57.2103.9162.6-98.6-9.2000109.3T343 N347T343-D345 VanDerWaalsContact C-N 3.34Å; D345-N347 PolarHBondContact O-N 2.88Å; D345-N347 PolarHBondContact O-ND2 2.91Å; D345-N347 VanDerWaalsContact O-ND2 3.08Å
346S55.4Low64.3Low104 Ų104103.5 Ų103.573%0.72755%0.553SS**  trans-62.4103.5179.9-73.10000109E344 L348E344-S346 PolarHBondContact O-N 2.87Å; S346-L348 PolarHBondContact O-N 3.35Å
347N61.1Low64Low82 Ų82101.6 Ų101.644%0.43955%0.545SS..  trans-6313.9-170.4-85.7-84.6000115.6D345 R349 G362 I363D345-N347 PolarHBondContact O-N 2.88Å; D345-N347 PolarHBondContact O-ND2 2.91Å; D345-N347 VanDerWaalsContact O-ND2 3.08Å; N347-R349 PolarHBondContact O-N 3.36Å; N347-G362 WeakPolarHBondContact O-CA 3.46Å; N347-I363 HydrophobicContact CB-CG1 4.37Å; N347-I363 PolarHBondContact O-N 3.12Å; N347-I363 WeakPolarHBondContact OD1-CD1 3.46Å
348L63.3Low64.3Low103 Ų10398.9 Ų98.954%0.53954%0.54SS..EExtended strand (participates in β ladder)trans-82.896.5179.1-66.9172000110.7S346 L360 S361S346-L348 PolarHBondContact O-N 3.35Å; L348-L360 HydrophobicContact CB-CD1 4.43Å; L348-L360 HydrophobicContact CB-CD2 4.08Å; L348-L360 HydrophobicContact CB-CG 4.08Å; L348-L360 HydrophobicContact CD1-CD2 4.11Å; L348-L360 HydrophobicContact CD2-CD2 4.27Å; L348-L360 HydrophobicContact CD2-CG 4.46Å; L348-L360 HydrophobicContact CG-CD2 4.39Å; L348-S361 WeakPolarHBondContact CA-O 3.28Å
349R69.3Low64.6Low145 Ų14596.4 Ų96.455%0.54753%0.525SS..EExtended strand (participates in β ladder)trans-88.7140173.1-66.5-172.8179-1792.3111N347 F351 L360 S361N347-R349 PolarHBondContact O-N 3.36Å; R349-F351 HydrophobicContact CB-CD2 4.4Å; R349-F351 HydrophobicContact CB-CE2 3.74Å; R349-F351 HydrophobicContact CB-CZ 4.11Å; R349-F351 WeakPolarHBondContact O-CD2 3.21Å; R349-L360 WeakPolarHBondContact O-CA 3.45Å; R349-S361 PolarHBondContact N-O 3.29Å; R349-S361 PolarHBondContact O-N 2.72Å
350L75.3Confident65.7Low70 Ų7096.2 Ų96.237%0.36652%0.523SS..EExtended strand (participates in β ladder)trans-85.2128.2169.7-169.570.8000109.2L360 V377L350-L360 HydrophobicContact CB-CD1 4.17Å; L350-L360 HydrophobicContact CD1-CD1 3.99Å; L350-V377 HydrophobicContact CB-CG2 4.34Å; L350-V377 HydrophobicContact CD2-CG2 4.16Å; L350-V377 HydrophobicContact CG-CG2 4.3Å; L350-V377 PolarHBondContact O-N 3.18Å
351F75.8Confident66Low56 Ų5692.8 Ų92.825%0.24651%0.505CS..EExtended strand (participates in β ladder)trans-116.6137.8177.1-69.3-86.3000109.7R349 T358 T359 Y374 E375 P376R349-F351 HydrophobicContact CB-CD2 4.4Å; R349-F351 HydrophobicContact CB-CE2 3.74Å; R349-F351 HydrophobicContact CB-CZ 4.11Å; R349-F351 WeakPolarHBondContact O-CD2 3.21Å; F351-T358 CarbonylContact O-C 3.51Å; F351-T358 WeakPolarHBondContact O-CA 3.47Å; F351-T359 PolarHBondContact N-O 2.65Å; F351-T359 PolarHBondContact O-N 2.57Å; F351-Y374 HydrophobicContact CB-CD1 4.09Å; F351-Y374 HydrophobicContact CB-CG 4.48Å; F351-E375 WeakPolarHBondContact CA-O 3.37Å; F351-P376 HydrophobicContact CD1-CB 4.29Å; F351-P376 HydrophobicContact CE1-CB 4.01Å
352V76.9Confident66.5Low51 Ų5191.4 Ų91.431%0.30950%0.501SS..EExtended strand (participates in β ladder)trans-117.7132177.9-172.30000109.1T357 T358 Y374 E375 V377V352-T357 WeakPolarHBondContact CA-O 3.33Å; V352-T358 HydrophobicContact CG1-CG2 4.45Å; V352-T358 HydrophobicContact CG2-CG2 4.08Å; V352-Y374 WeakPolarHBondContact O-CA 3.17Å; V352-E375 PolarHBondContact N-O 3.17Å; V352-E375 VanDerWaalsContact N-O 3.09Å; V352-E375 PolarHBondContact O-N 2.93Å; V352-E375 VanDerWaalsContact O-N 3.11Å; V352-V377 HydrophobicContact CG2-CG2 3.57Å
353S75Confident66.9Low6 Ų690.7 Ų90.74%0.04250%0.496CS..EExtended strand (participates in β ladder)trans-90.5161170.839.10000111.7D355 G356 T357 V373 Y374S353-D355 WeakPolarHBondContact CB-OD1 3.46Å; S353-D355 PolarHBondContact O-N 2.78Å; S353-D355 PolarHBondContact OG-OD1 2.95Å; S353-G356 PolarHBondContact O-N 3.48Å; S353-T357 PolarHBondContact N-O 2.76Å; S353-T357 WeakPolarHBondContact OG-CB 3.36Å; S353-T357 PolarHBondContact OG-O 3.49Å; S353-T357 VanDerWaalsContact OG-O 3.12Å; S353-V373 WeakPolarHBondContact CA-O 3.33Å; S353-Y374 WeakPolarHBondContact OG-CE1 3.45Å
354R74.8Confident66.6Low210 Ų21094.3 Ų94.379%0.79251%0.505SS*.THydrogen-bonded Turntrans-61.9-7.6-179.2-66.9-177.8174.4171.7-0.8115.5
355D74.1Confident66.6Low119 Ų11991.9 Ų91.964%0.63650%0.497SS*.THydrogen-bonded Turntrans-95.40.5172.956.620000113.6S353 T357S353-D355 WeakPolarHBondContact CB-OD1 3.46Å; S353-D355 PolarHBondContact O-N 2.78Å; S353-D355 PolarHBondContact OG-OD1 2.95Å; D355-T357 VanDerWaalsContact C-N 3.34Å; D355-T357 VanDerWaalsContact CG-OG1 3.28Å; D355-T357 VanDerWaalsContact OD1-CB 3.24Å; D355-T357 WeakPolarHBondContact OD1-CB 3.24Å; D355-T357 PolarHBondContact OD1-N 2.96Å; D355-T357 PolarHBondContact OD1-OG1 2.98Å
356G71.9Confident66.2Low56 Ų5688.7 Ų88.758%0.57749%0.494SS*.SBendtrans85.3-0.7-177.800000114.6S353S353-G356 PolarHBondContact O-N 3.48Å
357T69.9Low65.8Low75 Ų7591.8 Ų91.846%0.4650%0.503SS..  trans-70141.4175.6-41.50000110.4V352 S353 D355V352-T357 WeakPolarHBondContact CA-O 3.33Å; S353-T357 PolarHBondContact N-O 2.76Å; S353-T357 WeakPolarHBondContact OG-CB 3.36Å; S353-T357 PolarHBondContact OG-O 3.49Å; S353-T357 VanDerWaalsContact OG-O 3.12Å; D355-T357 VanDerWaalsContact C-N 3.34Å; D355-T357 VanDerWaalsContact CG-OG1 3.28Å; D355-T357 VanDerWaalsContact OD1-CB 3.24Å; D355-T357 WeakPolarHBondContact OD1-CB 3.24Å; D355-T357 PolarHBondContact OD1-N 2.96Å; D355-T357 PolarHBondContact OD1-OG1 2.98Å
358T79.6Confident65.1Low85 Ų8599.1 Ų99.152%0.52152%0.524SS..EExtended strand (participates in β ladder)trans-117.2142.9-179.270.10000111.5F351 V352F351-T358 CarbonylContact O-C 3.51Å; F351-T358 WeakPolarHBondContact O-CA 3.47Å; V352-T358 HydrophobicContact CG1-CG2 4.45Å; V352-T358 HydrophobicContact CG2-CG2 4.08Å
359T72.1Confident64.1Low59 Ų5999.2 Ų99.236%0.36253%0.529SS..EExtended strand (participates in β ladder)trans-138.4146.317863.30000110.6F351 Y374F351-T359 PolarHBondContact N-O 2.65Å; F351-T359 PolarHBondContact O-N 2.57Å; T359-Y374 HydrophobicContact CG2-CE1 4.32Å
360L73.1Confident62.9Low108 Ų10897.4 Ų97.457%0.56554%0.538SS*.EExtended strand (participates in β ladder)trans-114.6126.9-177.9-162.382.4000109.1L348 R349 L350L348-L360 HydrophobicContact CB-CD1 4.43Å; L348-L360 HydrophobicContact CB-CD2 4.08Å; L348-L360 HydrophobicContact CB-CG 4.08Å; L348-L360 HydrophobicContact CD1-CD2 4.11Å; L348-L360 HydrophobicContact CD2-CD2 4.27Å; L348-L360 HydrophobicContact CD2-CG 4.46Å; L348-L360 HydrophobicContact CG-CD2 4.39Å; R349-L360 WeakPolarHBondContact O-CA 3.45Å; L350-L360 HydrophobicContact CB-CD1 4.17Å; L350-L360 HydrophobicContact CD1-CD1 3.99Å
361S63.7Low61.6Low42 Ų42100.4 Ų100.429%0.29457%0.565SS.*EExtended strand (participates in β ladder)trans-143.9142.9-174-159.20000113.9L348 R349L348-S361 WeakPolarHBondContact CA-O 3.28Å; R349-S361 PolarHBondContact N-O 3.29Å; R349-S361 PolarHBondContact O-N 2.72Å
362G62.8Low60.5Low36 Ų36100.2 Ų100.237%0.37158%0.579SS.*EExtended strand (participates in β ladder)trans-79.8142.9173.800000112.4N347 Q364N347-G362 WeakPolarHBondContact O-CA 3.46Å; G362-Q364 VanDerWaalsContact C-N 3.32Å; G362-Q364 PolarHBondContact O-N 3.03Å
363I59.3Low59.7Low94 Ų94101.8 Ų101.848%0.48259%0.589SS.*SBendtrans-72.178.8-179.5-48.5179.9000112.2N347N347-I363 HydrophobicContact CB-CG1 4.37Å; N347-I363 PolarHBondContact O-N 3.12Å; N347-I363 WeakPolarHBondContact OD1-CD1 3.46Å
364Q48.4Very low58.9Low186 Ų186106.3 Ų106.387%0.86961%0.606SS**  trans-154.742153.4-137.8177.263.800115.2G362 G366G362-Q364 VanDerWaalsContact C-N 3.32Å; G362-Q364 PolarHBondContact O-N 3.03Å; Q364-G366 PolarHBondContact O-N 3.21Å; Q364-G366 VanDerWaalsContact O-N 3.12Å
365L47.4Very low58.6Low114 Ų114102.5 Ų102.560%0.59760%0.597SS**  trans-77.392.6166.8-99.283.9000111.6N367 V369L365-N367 PolarHBondContact O-N 3.18Å; L365-N367 VanDerWaalsContact O-N 3.13Å; L365-V369 HydrophobicContact CD2-CB 4.28Å; L365-V369 HydrophobicContact CD2-CG2 3.65Å
366G40.7Very low58.3Low62 Ų62100.1 Ų100.164%0.63959%0.588SS**  trans-68.7101.6166.600000112.3Q364 R368Q364-G366 PolarHBondContact O-N 3.21Å; Q364-G366 VanDerWaalsContact O-N 3.12Å; G366-R368 PolarHBondContact O-N 3.27Å
367N47Very low58.2Low168 Ų168100.9 Ų100.990%0.89858%0.581SS**SBendtrans45.639.9160.3-67.65.3000117.8L365L365-N367 PolarHBondContact O-N 3.18Å; L365-N367 VanDerWaalsContact O-N 3.13Å
368R47.3Very low58.3Low236 Ų236103 Ų10389%0.89159%0.594SS**  trans-132.915.7-179.8-81.8-160.8172.4-137.6-1.4118.2G366G366-R368 PolarHBondContact O-N 3.27Å
369V42.7Very low57.5Low106 Ų106105.8 Ų105.864%0.64260%0.604SS**SBendtrans-129.2135.5162178.20000108.5L365 S371L365-V369 HydrophobicContact CD2-CB 4.28Å; L365-V369 HydrophobicContact CD2-CG2 3.65Å; V369-S371 PolarHBondContact O-N 2.88Å
370S42.9Very low56.6Low106 Ų106110.8 Ų110.874%0.74162%0.623SS**  trans-63.9129-178.3-58.20000111.6G372S370-G372 PolarHBondContact O-N 2.95Å
371S48.2Very low55.4Low133 Ų133112.1 Ų112.193%0.9364%0.636SS**THydrogen-bonded Turntrans-58.4130.3168.6-173.70000110.3V369V369-S371 PolarHBondContact O-N 2.88Å
372G52.4Low54.5Low53 Ų53122.2 Ų122.255%0.54668%0.678SS.*THydrogen-bonded Turntrans132.6-0.4171.400000118.6S370S370-G372 PolarHBondContact O-N 2.95Å
373V60Low54.1Low84 Ų84126.6 Ų126.651%0.50969%0.693SS.*SBendtrans-111.8-29.6-177.8-177.20000114.2S353S353-V373 WeakPolarHBondContact CA-O 3.33Å
374Y58.7Low53.8Low101 Ų101128.3 Ų128.340%0.39671%0.705SS.*EExtended strand (participates in β ladder)trans-126.2135.3-172.8-70.8-85.6000111.2F351 V352 S353 T359F351-Y374 HydrophobicContact CB-CD1 4.09Å; F351-Y374 HydrophobicContact CB-CG 4.48Å; V352-Y374 WeakPolarHBondContact O-CA 3.17Å; S353-Y374 WeakPolarHBondContact OG-CE1 3.45Å; T359-Y374 HydrophobicContact CG2-CE1 4.32Å
375E68.6Low54.1Low129 Ų129125.1 Ų125.160%0.60370%0.695SS**EExtended strand (participates in β ladder)trans-113.4141.7174.8-72170.4-155.500109.9F351 V352F351-E375 WeakPolarHBondContact CA-O 3.37Å; V352-E375 PolarHBondContact N-O 3.17Å; V352-E375 VanDerWaalsContact N-O 3.09Å; V352-E375 PolarHBondContact O-N 2.93Å; V352-E375 VanDerWaalsContact O-N 3.11Å
376P67.8Low54.5Low69 Ų69125.7 Ų125.745%0.44870%0.701SS.*EExtended strand (participates in β ladder)trans-77.8135.7179.431.7-33.4000110.7F351 V378F351-P376 HydrophobicContact CD1-CB 4.29Å; F351-P376 HydrophobicContact CE1-CB 4.01Å; P376-V378 PolarHBondContact O-N 3.44Å
377V70Confident55.4Low72 Ų72129.7 Ų129.744%0.43671%0.705SS.*PPolyproline II helixtrans-74.3121.9174-175.80000109.8L350 V352 I379L350-V377 HydrophobicContact CB-CG2 4.34Å; L350-V377 HydrophobicContact CD2-CG2 4.16Å; L350-V377 HydrophobicContact CG-CG2 4.3Å; L350-V377 PolarHBondContact O-N 3.18Å; V352-V377 HydrophobicContact CG2-CG2 3.57Å; V377-I379 HydrophobicContact CG1-CG1 4.11Å
378V70.9Confident56Low120 Ų120127.1 Ų127.173%0.72769%0.692SS**PPolyproline II helixtrans-100.2132.4167.4-1790000108P376 E380P376-V378 PolarHBondContact O-N 3.44Å; V378-E380 HydrophobicContact CG1-CG 4.44Å
379I63.5Low56.6Low144 Ų144119.4 Ų119.474%0.73868%0.678SS**  trans-116.9110.5173.1-57.3177000106.4V377V377-I379 HydrophobicContact CG1-CG1 4.11Å
380E52.8Low57.6Low164 Ų164120.4 Ų120.477%0.76668%0.681SS**  trans-79.1126.2173-64.7-173.515500109.5V378V378-E380 HydrophobicContact CG1-CG 4.44Å
381T48.9Very low58.9Low135 Ų135121.6 Ų121.683%0.82868%0.676SS**  trans-90.6114.8172.950.20000109.2
382H44.5Very low59.8Low255 Ų255120.5 Ų120.5100%1.18165%0.653SS**  trans-79.50170.5-87-56.8000112.6

Retrieved 382 of 382 residues in 300 ms (Link to these results)

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