A0A087Y3V5_POEFO Loading...

Receptor-transporting protein 4-like

AlphaFold DB , UniProt , Accession A0A087Y3V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 175 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
1M46.9Very low79.6Confident248 Ų24873.1 Ų73.1100%1.22243%0.434SS*.  01340-65.3-179176.700108.6
2S57.6Low81.1Confident118 Ų11867.3 Ų67.383%0.82540%0.398SS*.PPolyproline II helixtrans-71.6131-177.1-66.50000111
3T62Low82.4Confident39 Ų3966.5 Ų66.524%0.23939%0.391CS..PPolyproline II helixtrans-59125.7170.311.30000110.2K63 N116T3-K63 PolarHBondContact O-NZ 3.08Å; T3-N116 HydrophobicContact CG2-CB 3.49Å; T3-N116 VanDerWaalsContact CG2-CB 3.49Å; T3-N116 WeakPolarHBondContact CG2-ND2 3.18Å
4P75.4Confident83.4Confident57 Ų5769 Ų6937%0.3740%0.402SS..PPolyproline II helixtrans-54.1145.3170.4-2231.9000110.8F115P4-F115 WeakPolarHBondContact CD-O 3.21Å
5T76.4Confident84.4Confident35 Ų3564.7 Ų64.722%0.21538%0.376CS..SBendtrans-89-12.9171.839.50000113.3K63 Q65 T72T5-K63 HydrophobicContact CG2-CD 3.53Å; T5-K63 HydrophobicContact CG2-CG 3.97Å; T5-Q65 VanDerWaalsContact CB-OE1 3.29Å; T5-Q65 HydrophobicContact CG2-CB 4.23Å; T5-Q65 PolarHBondContact OG1-OE1 3.43Å; T5-T72 HydrophobicContact CG2-CG2 4.05Å
6G83Confident85.2Confident35 Ų3560.6 Ų60.636%0.36135%0.353SS..SBendtrans-115.3152.6-174.400000112.4G114G6-G114 VanDerWaalsContact O-CA 3.24Å; G6-G114 WeakPolarHBondContact O-CA 3.22Å
7W92.9Very high85.9Confident39 Ų3961.1 Ų61.115%0.14835%0.353CS..  trans-70.4129.1171.4172.8-113.1000111.3P9 W12 F36 Y38 M95 P97 L112 P113 F115W7-P9 HydrophobicContact CZ2-CG 4.49Å; W7-W12 AromaticContact CH2-CD1 3.43Å; W7-W12 VanDerWaalsContact CH2-CD1 3.43Å; W7-W12 HydrophobicContact CH2-CD2 4.19Å; W7-W12 AromaticContact CH2-CE2 3.89Å; W7-W12 AromaticContact CH2-CG 3.9Å; W7-W12 HydrophobicContact CH2-CG 3.9Å; W7-W12 AromaticContact CH2-NE1 3.44Å; W7-W12 AromaticContact CZ3-CD1 3.53Å; W7-W12 HydrophobicContact CZ3-CD2 4.46Å; W7-W12 AromaticContact CZ3-CE2 3.71Å; W7-W12 HydrophobicContact CZ3-CG 4.34Å; W7-W12 HydrophobicContact CZ3-CZ2 4.3Å; W7-W12 AromaticContact CZ3-NE1 3.09Å; W7-F36 HydrophobicContact CH2-CE1 4.1Å; W7-F36 AromaticContact CZ2-CD1 3.79Å; W7-F36 HydrophobicContact CZ2-CD1 3.79Å; W7-F36 AromaticContact CZ2-CE1 3.57Å; W7-F36 HydrophobicContact CZ2-CE1 3.57Å; W7-Y38 AromaticContact NE1-CE1 3.68Å; W7-Y38 AromaticContact NE1-CZ 3.79Å; W7-Y38 PolarHBondContact NE1-OH 2.95Å; W7-M95 HydrophobicContact CH2-CE 3.51Å; W7-M95 HydrophobicContact CZ2-CE 4.01Å; W7-P97 HydrophobicContact CD2-CB 4.47Å; W7-P97 HydrophobicContact CD2-CG 3.82Å; W7-P97 HydrophobicContact CE3-CB 4.02Å; W7-P97 HydrophobicContact CE3-CG 3.85Å; W7-P97 HydrophobicContact CH2-CB 4.15Å; W7-P97 HydrophobicContact CH2-CG 3.73Å; W7-P97 HydrophobicContact CZ2-CG 3.66Å; W7-P97 HydrophobicContact CZ3-CB 3.82Å; W7-P97 HydrophobicContact CZ3-CG 3.78Å; W7-L112 HydrophobicContact CB-CB 3.56Å; W7-L112 HydrophobicContact CB-CD1 4.09Å; W7-L112 HydrophobicContact CB-CG 4.5Å; W7-L112 HydrophobicContact CG-CB 4.05Å; W7-L112 HydrophobicContact CG-CD1 3.8Å; W7-P113 WeakPolarHBondContact CA-O 3.44Å; W7-F115 HydrophobicContact CE3-CD2 4.18Å; W7-F115 AromaticContact CE3-CE2 4Å; W7-F115 HydrophobicContact CE3-CE2 4Å; W7-F115 AromaticContact CZ3-CD2 3.96Å; W7-F115 HydrophobicContact CZ3-CD2 3.96Å; W7-F115 AromaticContact CZ3-CE2 3.73Å; W7-F115 HydrophobicContact CZ3-CE2 3.73Å
8T94.3Very high86.5Confident61 Ų6161.4 Ų61.437%0.37435%0.351SS..  trans-131.3100179.9-53.60000109.4S10 F11T8-S10 WeakPolarHBondContact CG2-OG 3.47Å; T8-S10 PolarHBondContact O-N 3.45Å; T8-F11 HydrophobicContact CG2-CB 3.88Å; T8-F11 WeakPolarHBondContact O-CB 3.41Å; T8-F11 PolarHBondContact O-N 3.41Å
9P94.9Very high87.1Confident46 Ų4658.5 Ų58.530%0.29934%0.335SS..Hα-helixtrans-59-41.8179.9-22.128.8000113.7W7 F11 W12 L13 F36W7-P9 HydrophobicContact CZ2-CG 4.49Å; P9-F11 VanDerWaalsContact C-N 3.25Å; P9-F11 PolarHBondContact O-N 3.29Å; P9-W12 WeakPolarHBondContact O-CB 3.42Å; P9-W12 PolarHBondContact O-N 2.94Å; P9-L13 PolarHBondContact O-N 3.38Å; P9-L13 VanDerWaalsContact O-N 3.16Å; P9-F36 HydrophobicContact CB-CD1 4.47Å; P9-F36 HydrophobicContact CB-CD2 4.42Å; P9-F36 HydrophobicContact CB-CE1 3.96Å; P9-F36 HydrophobicContact CB-CE2 3.98Å; P9-F36 HydrophobicContact CB-CZ 3.74Å; P9-F36 WeakPolarHBondContact O-CZ 3.22Å
10S96.2Very high87.4Confident63 Ų6356.1 Ų56.144%0.44132%0.321SS..Hα-helixtrans-60.3-37.3-178.959.50000111.9T8 W12 L13 D14T8-S10 WeakPolarHBondContact CG2-OG 3.47Å; T8-S10 PolarHBondContact O-N 3.45Å; S10-W12 PolarHBondContact O-N 3.25Å; S10-L13 WeakPolarHBondContact O-CB 3.44Å; S10-L13 PolarHBondContact O-N 3.4Å; S10-D14 PolarHBondContact O-N 3.36Å
11F95.7Very high87.7Confident63 Ų6359.1 Ų59.128%0.27633%0.327SS..Hα-helixtrans-60.8-32176.9-174.1-119000113.1T8 P9 I15 R117 V120T8-F11 HydrophobicContact CG2-CB 3.88Å; T8-F11 WeakPolarHBondContact O-CB 3.41Å; T8-F11 PolarHBondContact O-N 3.41Å; P9-F11 VanDerWaalsContact C-N 3.25Å; P9-F11 PolarHBondContact O-N 3.29Å; F11-I15 HydrophobicContact CD1-CD1 4.15Å; F11-I15 HydrophobicContact CD2-CD1 4.22Å; F11-I15 HydrophobicContact CE1-CD1 3.75Å; F11-I15 HydrophobicContact CE2-CD1 3.83Å; F11-I15 HydrophobicContact CG-CD1 4.38Å; F11-I15 HydrophobicContact CZ-CD1 3.59Å; F11-I15 WeakPolarHBondContact O-CD1 3.32Å; F11-I15 VanDerWaalsContact O-CG1 3.31Å; F11-I15 WeakPolarHBondContact O-CG1 3.31Å; F11-I15 PolarHBondContact O-N 3.11Å; F11-R117 HydrophobicContact CZ-CB 3.87Å; F11-R117 HydrophobicContact CZ-CG 4.15Å; F11-V120 HydrophobicContact CD1-CG2 4.19Å; F11-V120 HydrophobicContact CE1-CG2 3.94Å
12W97.6Very high90Very high3 Ų352.8 Ų52.81%0.01130%0.299CS..Hα-helixtrans-76.1-36.1173.5-78.877000112.5W7 P9 S10 F16 L34 F36 V80 F82 M95 F115 V120 A123 L124W7-W12 AromaticContact CH2-CD1 3.43Å; W7-W12 VanDerWaalsContact CH2-CD1 3.43Å; W7-W12 HydrophobicContact CH2-CD2 4.19Å; W7-W12 AromaticContact CH2-CE2 3.89Å; W7-W12 AromaticContact CH2-CG 3.9Å; W7-W12 HydrophobicContact CH2-CG 3.9Å; W7-W12 AromaticContact CH2-NE1 3.44Å; W7-W12 AromaticContact CZ3-CD1 3.53Å; W7-W12 HydrophobicContact CZ3-CD2 4.46Å; W7-W12 AromaticContact CZ3-CE2 3.71Å; W7-W12 HydrophobicContact CZ3-CG 4.34Å; W7-W12 HydrophobicContact CZ3-CZ2 4.3Å; W7-W12 AromaticContact CZ3-NE1 3.09Å; P9-W12 WeakPolarHBondContact O-CB 3.42Å; P9-W12 PolarHBondContact O-N 2.94Å; S10-W12 PolarHBondContact O-N 3.25Å; W12-F16 WeakPolarHBondContact O-CB 3.22Å; W12-F16 PolarHBondContact O-N 2.95Å; W12-L34 HydrophobicContact CB-CD2 4.28Å; W12-F36 HydrophobicContact CB-CE1 4.37Å; W12-F36 HydrophobicContact CB-CZ 4.25Å; W12-V80 HydrophobicContact CH2-CG1 4.24Å; W12-V80 HydrophobicContact CH2-CG2 4.06Å; W12-V80 HydrophobicContact CZ2-CG2 4.21Å; W12-F82 HydrophobicContact CH2-CZ 4.5Å; W12-F82 HydrophobicContact CZ3-CE1 4.31Å; W12-F82 AromaticContact CZ3-CZ 3.95Å; W12-F82 HydrophobicContact CZ3-CZ 3.95Å; W12-M95 HydrophobicContact CB-CE 4.05Å; W12-M95 HydrophobicContact CD2-CE 3.74Å; W12-M95 HydrophobicContact CD2-SD 3.94Å; W12-M95 HydrophobicContact CE3-CE 3.81Å; W12-M95 HydrophobicContact CE3-SD 3.43Å; W12-M95 HydrophobicContact CG-CE 3.88Å; W12-M95 HydrophobicContact CH2-SD 4.28Å; W12-M95 HydrophobicContact CZ3-SD 3.64Å; W12-F115 HydrophobicContact CZ2-CB 4.5Å; W12-F115 HydrophobicContact CZ2-CD1 4.4Å; W12-F115 AromaticContact CZ2-CD2 3.68Å; W12-F115 HydrophobicContact CZ2-CD2 3.68Å; W12-F115 AromaticContact CZ2-CE2 3.86Å; W12-F115 HydrophobicContact CZ2-CE2 3.86Å; W12-F115 AromaticContact CZ2-CG 3.95Å; W12-F115 HydrophobicContact CZ2-CG 3.95Å; W12-F115 HydrophobicContact CZ2-CZ 4.32Å; W12-F115 AromaticContact NE1-CD2 3.72Å; W12-V120 HydrophobicContact CD2-CG1 3.67Å; W12-V120 HydrophobicContact CD2-CG2 4.18Å; W12-V120 HydrophobicContact CE3-CG1 3.63Å; W12-V120 HydrophobicContact CG-CG1 4.2Å; W12-V120 HydrophobicContact CH2-CB 4.5Å; W12-V120 HydrophobicContact CH2-CG1 4.27Å; W12-V120 HydrophobicContact CH2-CG2 4.3Å; W12-V120 HydrophobicContact CZ2-CB 4.4Å; W12-V120 HydrophobicContact CZ2-CG1 4.32Å; W12-V120 HydrophobicContact CZ2-CG2 3.73Å; W12-V120 HydrophobicContact CZ3-CG1 3.93Å; W12-A123 HydrophobicContact CH2-CB 3.86Å; W12-A123 HydrophobicContact CZ3-CB 4.06Å; W12-L124 HydrophobicContact CE3-CD1 4.34Å; W12-L124 HydrophobicContact CE3-CD2 4Å; W12-L124 HydrophobicContact CE3-CG 4.13Å; W12-L124 HydrophobicContact CZ3-CD2 4.02Å; W12-L124 HydrophobicContact CZ3-CG 4.07Å
13L97.7Very high91.7Very high58 Ų5851.3 Ų51.330%0.30428%0.282SS..Hα-helixtrans-64-48.7174.6-67.9172.6000110.7P9 S10 I15 F16 D17 L34 F36P9-L13 PolarHBondContact O-N 3.38Å; P9-L13 VanDerWaalsContact O-N 3.16Å; S10-L13 WeakPolarHBondContact O-CB 3.44Å; S10-L13 PolarHBondContact O-N 3.4Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3Å; L13-F16 WeakPolarHBondContact O-CB 3.42Å; L13-F16 PolarHBondContact O-N 3.38Å; L13-F16 VanDerWaalsContact O-N 3.1Å; L13-D17 PolarHBondContact O-N 3.01Å; L13-L34 HydrophobicContact CD2-CB 3.91Å; L13-L34 HydrophobicContact CD2-CD2 4.2Å; L13-L34 HydrophobicContact CD2-CG 4.08Å; L13-L34 WeakPolarHBondContact CD2-O 3.46Å; L13-F36 HydrophobicContact CD1-CE2 4.05Å; L13-F36 HydrophobicContact CD2-CE2 3.83Å; L13-F36 HydrophobicContact CD2-CZ 4.2Å; L13-F36 HydrophobicContact CG-CE2 3.82Å; L13-F36 HydrophobicContact CG-CZ 4Å
14D97.6Very high93.1Very high101 Ų10153.9 Ų53.954%0.5429%0.294SS..Hα-helixtrans-58.1-46.4-177.9-58.9-24.8000111.4S10 E18S10-D14 PolarHBondContact O-N 3.36Å; D14-E18 WeakPolarHBondContact O-CB 3.26Å; D14-E18 PolarHBondContact O-N 3.32Å
15I97.4Very high93.9Very high4 Ų453.7 Ų53.72%0.02129%0.288CS..Hα-helixtrans-71-35.5178.3-61.2168.8000111.1F11 L13 E18 L19 R117 V120 E121 L124F11-I15 HydrophobicContact CD1-CD1 4.15Å; F11-I15 HydrophobicContact CD2-CD1 4.22Å; F11-I15 HydrophobicContact CE1-CD1 3.75Å; F11-I15 HydrophobicContact CE2-CD1 3.83Å; F11-I15 HydrophobicContact CG-CD1 4.38Å; F11-I15 HydrophobicContact CZ-CD1 3.59Å; F11-I15 WeakPolarHBondContact O-CD1 3.32Å; F11-I15 VanDerWaalsContact O-CG1 3.31Å; F11-I15 WeakPolarHBondContact O-CG1 3.31Å; F11-I15 PolarHBondContact O-N 3.11Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 3Å; I15-E18 PolarHBondContact O-N 3.08Å; I15-L19 HydrophobicContact CG2-CD1 3.98Å; I15-L19 HydrophobicContact CG2-CG 4.19Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 VanDerWaalsContact O-CG 3.26Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 2.93Å; I15-R117 HydrophobicContact CD1-CB 4.47Å; I15-R117 HydrophobicContact CD1-CG 3.7Å; I15-R117 HydrophobicContact CG1-CG 4.39Å; I15-V120 HydrophobicContact CB-CG1 4.15Å; I15-V120 HydrophobicContact CD1-CB 3.81Å; I15-V120 HydrophobicContact CD1-CG1 3.59Å; I15-V120 HydrophobicContact CD1-CG2 4.46Å; I15-V120 HydrophobicContact CG1-CG1 4.46Å; I15-V120 HydrophobicContact CG2-CG1 4.16Å; I15-E121 HydrophobicContact CG2-CG 3.77Å; I15-L124 HydrophobicContact CB-CD1 4.22Å; I15-L124 HydrophobicContact CG2-CD1 3.91Å
16F97.9Very high94.6Very high0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-61.8-45.8176.2-179.1-84.7000111.3W12 L13 L20 W32 L34 V93 L124 F128W12-F16 WeakPolarHBondContact O-CB 3.22Å; W12-F16 PolarHBondContact O-N 2.95Å; L13-F16 WeakPolarHBondContact O-CB 3.42Å; L13-F16 PolarHBondContact O-N 3.38Å; L13-F16 VanDerWaalsContact O-N 3.1Å; F16-L20 HydrophobicContact CD1-CD2 4.48Å; F16-L20 HydrophobicContact CE1-CD2 3.88Å; F16-L20 WeakPolarHBondContact O-CB 3.39Å; F16-L20 PolarHBondContact O-N 3.47Å; F16-W32 HydrophobicContact CE1-CB 4.29Å; F16-W32 HydrophobicContact CZ-CB 4.14Å; F16-L34 HydrophobicContact CB-CB 4.48Å; F16-L34 HydrophobicContact CB-CD2 3.85Å; F16-L34 HydrophobicContact CD1-CB 3.94Å; F16-L34 HydrophobicContact CD2-CB 3.92Å; F16-L34 HydrophobicContact CD2-CD2 3.9Å; F16-L34 HydrophobicContact CD2-CG 4.35Å; F16-L34 HydrophobicContact CE1-CB 4.09Å; F16-L34 HydrophobicContact CE2-CB 4.04Å; F16-L34 HydrophobicContact CG-CB 3.86Å; F16-L34 HydrophobicContact CG-CD2 3.96Å; F16-L34 HydrophobicContact CZ-CB 4.14Å; F16-V93 HydrophobicContact CE2-CG2 4.19Å; F16-V93 HydrophobicContact CZ-CG2 4.33Å; F16-L124 HydrophobicContact CB-CD1 4.01Å; F16-L124 HydrophobicContact CD2-CD2 3.94Å; F16-F128 AromaticContact CD2-CE1 3.91Å; F16-F128 HydrophobicContact CD2-CE1 3.91Å; F16-F128 AromaticContact CD2-CZ 3.84Å; F16-F128 HydrophobicContact CD2-CZ 3.84Å; F16-F128 AromaticContact CE2-CE1 3.38Å; F16-F128 HydrophobicContact CE2-CE1 3.38Å; F16-F128 AromaticContact CE2-CZ 3.71Å; F16-F128 HydrophobicContact CE2-CZ 3.71Å; F16-F128 HydrophobicContact CG-CZ 4.38Å; F16-F128 AromaticContact CZ-CE1 3.88Å; F16-F128 HydrophobicContact CZ-CE1 3.88Å; F16-F128 HydrophobicContact CZ-CZ 4.11Å
17D97.1Very high95Very high68 Ų6856.6 Ų56.636%0.36429%0.294SS..Hα-helixtrans-68.1-40.9179-70.8-13.3000111.2L13 L20 Y21L13-D17 PolarHBondContact O-N 3.01Å; D17-L20 PolarHBondContact O-N 3.17Å; D17-Y21 HydrophobicContact CB-CD2 3.99Å; D17-Y21 HydrophobicContact CB-CE2 4.23Å; D17-Y21 WeakPolarHBondContact O-CB 3.2Å; D17-Y21 VanDerWaalsContact O-CD2 3.28Å; D17-Y21 WeakPolarHBondContact O-CD2 3.46Å; D17-Y21 PolarHBondContact O-N 3.17Å
18E97.1Very high94.9Very high67 Ų6758.3 Ų58.331%0.31330%0.301SS..Iπ-helixtrans-57-53.6173.4-173.9-175.8156.200111.1D14 I15 L20 D22 D23 R117D14-E18 WeakPolarHBondContact O-CB 3.26Å; D14-E18 PolarHBondContact O-N 3.32Å; I15-E18 PolarHBondContact O-N 3.08Å; E18-L20 VanDerWaalsContact C-N 3.25Å; E18-L20 PolarHBondContact O-N 2.75Å; E18-D22 HydrophobicContact CG-CB 4.35Å; E18-D22 WeakPolarHBondContact O-CA 3.24Å; E18-D22 VanDerWaalsContact O-CB 3.27Å; E18-D22 WeakPolarHBondContact O-CB 3.44Å; E18-D22 PolarHBondContact O-N 3.08Å; E18-D23 PolarHBondContact O-N 2.77Å; E18-D23 VanDerWaalsContact O-N 3.16Å; E18-R117 IonicContact OE1-CZ 2.61Å; E18-R117 IonicContact OE1-NH2 3.03Å; E18-R117 PolarHBondContact OE1-NH2 2.88Å; E18-R117 IonicContact OE2-CZ 2.95Å; E18-R117 IonicContact OE2-NH2 3.85Å; E18-R117 PolarHBondContact OE2-NH2 2.81Å
19L96.6Very high94.7Very high7 Ų759 Ų594%0.03732%0.321CS..Iπ-helixtrans-64.1-32.3179.9-66.7175.1000112.3I15 D23 N24 E25 L124 L125 F128I15-L19 HydrophobicContact CG2-CD1 3.98Å; I15-L19 HydrophobicContact CG2-CG 4.19Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 VanDerWaalsContact O-CG 3.26Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 2.93Å; L19-D23 WeakPolarHBondContact CD2-OD2 3.05Å; L19-N24 PolarHBondContact O-N 3.4Å; L19-E25 HydrophobicContact CB-CG 4.36Å; L19-E25 VanDerWaalsContact O-CB 3.28Å; L19-E25 WeakPolarHBondContact O-CB 3.38Å; L19-E25 VanDerWaalsContact O-CG 3.32Å; L19-E25 WeakPolarHBondContact O-CG 3.34Å; L19-E25 PolarHBondContact O-N 3.25Å; L19-E25 VanDerWaalsContact O-N 3.12Å; L19-L124 HydrophobicContact CD1-CB 3.67Å; L19-L124 HydrophobicContact CD1-CD1 4.16Å; L19-L125 HydrophobicContact CD1-CD2 4.4Å; L19-L125 HydrophobicContact CD1-CG 4.27Å; L19-L125 HydrophobicContact CD2-CD2 4.15Å; L19-L125 HydrophobicContact CD2-CG 4.48Å; L19-F128 HydrophobicContact CB-CD2 4.39Å; L19-F128 HydrophobicContact CB-CE2 3.61Å; L19-F128 HydrophobicContact CB-CZ 4.49Å; L19-F128 HydrophobicContact CD1-CE2 4.39Å
20L94.6Very high94.6Very high10 Ų1058.4 Ų58.45%0.05232%0.315CS..Iπ-helixtrans-75.5-49.2-179179.462.9000112.2F16 D17 E18 N24 L26 W32 F128F16-L20 HydrophobicContact CD1-CD2 4.48Å; F16-L20 HydrophobicContact CE1-CD2 3.88Å; F16-L20 WeakPolarHBondContact O-CB 3.39Å; F16-L20 PolarHBondContact O-N 3.47Å; D17-L20 PolarHBondContact O-N 3.17Å; E18-L20 VanDerWaalsContact C-N 3.25Å; E18-L20 PolarHBondContact O-N 2.75Å; L20-N24 WeakPolarHBondContact O-CA 3.38Å; L20-L26 HydrophobicContact CD1-CB 3.73Å; L20-L26 HydrophobicContact CD1-CD1 4.2Å; L20-L26 HydrophobicContact CD1-CG 4.37Å; L20-W32 HydrophobicContact CD1-CB 4.17Å; L20-W32 HydrophobicContact CD2-CB 3.72Å; L20-F128 HydrophobicContact CB-CZ 4.44Å
21Y92.9Very high94.5Very high119 Ų11960.1 Ų60.147%0.46732%0.316SS..Iπ-helixtrans-100.4-36.3-168.5-63.1-63.7000113.5D17D17-Y21 HydrophobicContact CB-CD2 3.99Å; D17-Y21 HydrophobicContact CB-CE2 4.23Å; D17-Y21 WeakPolarHBondContact O-CB 3.2Å; D17-Y21 VanDerWaalsContact O-CD2 3.28Å; D17-Y21 WeakPolarHBondContact O-CD2 3.46Å; D17-Y21 PolarHBondContact O-N 3.17Å
22D94.3Very high94.6Very high116 Ų11657.1 Ų57.162%0.6230%0.303SS*.Iπ-helixtrans-85-45.1-179.7-62.7-9.1000109.9E18 N24E18-D22 HydrophobicContact CG-CB 4.35Å; E18-D22 WeakPolarHBondContact O-CA 3.24Å; E18-D22 VanDerWaalsContact O-CB 3.27Å; E18-D22 WeakPolarHBondContact O-CB 3.44Å; E18-D22 PolarHBondContact O-N 3.08Å; D22-N24 PolarHBondContact O-ND2 3.19Å
23D93.4Very high94.6Very high87 Ų8760.7 Ų60.747%0.46532%0.322SS..SBendtrans-90.6-9.2-177.9-65.3-19.9000113.8E18 L19 E25E18-D23 PolarHBondContact O-N 2.77Å; E18-D23 VanDerWaalsContact O-N 3.16Å; L19-D23 WeakPolarHBondContact CD2-OD2 3.05Å; D23-E25 VanDerWaalsContact C-N 3.28Å; D23-E25 HydrophobicContact CB-CG 4.22Å; D23-E25 PolarHBondContact O-N 3.26Å
24N92Very high94.6Very high92 Ų9258.5 Ų58.549%0.49231%0.31SS..  trans56.635.8178.1-58.8-78.2000113.9L19 L20 D22 L26 D27L19-N24 PolarHBondContact O-N 3.4Å; L20-N24 WeakPolarHBondContact O-CA 3.38Å; D22-N24 PolarHBondContact O-ND2 3.19Å; N24-L26 PolarHBondContact O-N 2.74Å; N24-D27 HydrophobicContact CB-CB 4.31Å; N24-D27 PolarHBondContact O-N 2.65Å
25E92.5Very high94.6Very high53 Ų5357.5 Ų57.525%0.24831%0.305CS..THydrogen-bonded Turntrans-63.6-16.1-176.7-75.8-71.715400114.3L19 D23 L125 F128 R132L19-E25 HydrophobicContact CB-CG 4.36Å; L19-E25 VanDerWaalsContact O-CB 3.28Å; L19-E25 WeakPolarHBondContact O-CB 3.38Å; L19-E25 VanDerWaalsContact O-CG 3.32Å; L19-E25 WeakPolarHBondContact O-CG 3.34Å; L19-E25 PolarHBondContact O-N 3.25Å; L19-E25 VanDerWaalsContact O-N 3.12Å; D23-E25 VanDerWaalsContact C-N 3.28Å; D23-E25 HydrophobicContact CB-CG 4.22Å; D23-E25 PolarHBondContact O-N 3.26Å; E25-L125 VanDerWaalsContact CD-CD2 3.43Å; E25-L125 HydrophobicContact CG-CD2 3.84Å; E25-F128 HydrophobicContact CB-CD2 3.37Å; E25-F128 HydrophobicContact CB-CE2 3.79Å; E25-F128 HydrophobicContact CB-CG 4.29Å; E25-F128 HydrophobicContact CG-CD2 3.96Å; E25-F128 HydrophobicContact CG-CE2 4.39Å; E25-R132 PolarHBondContact O-NH1 3.11Å; E25-R132 IonicContact OE2-CZ 3.79Å; E25-R132 IonicContact OE2-NH1 3.13Å; E25-R132 PolarHBondContact OE2-NH1 3.06Å; E25-R132 IonicContact OE2-NH2 2.61Å
26L90.4Very high94.6Very high6 Ų659.8 Ų59.83%0.03132%0.315CS..THydrogen-bonded Turntrans-134.458.6176.4-65.5176.7000112.1L20 N24 Y28 W32 F128 I131 R132L20-L26 HydrophobicContact CD1-CB 3.73Å; L20-L26 HydrophobicContact CD1-CD1 4.2Å; L20-L26 HydrophobicContact CD1-CG 4.37Å; N24-L26 PolarHBondContact O-N 2.74Å; L26-Y28 VanDerWaalsContact C-N 3.31Å; L26-Y28 HydrophobicContact CD2-CE2 4.23Å; L26-Y28 PolarHBondContact O-N 3.35Å; L26-W32 HydrophobicContact CD1-CD2 3.93Å; L26-W32 HydrophobicContact CD1-CG 3.93Å; L26-F128 HydrophobicContact CD1-CD1 3.59Å; L26-F128 HydrophobicContact CD1-CE1 3.68Å; L26-F128 HydrophobicContact CD1-CG 4.16Å; L26-F128 HydrophobicContact CD1-CZ 4.33Å; L26-F128 HydrophobicContact CD2-CB 4.33Å; L26-F128 HydrophobicContact CG-CB 4.4Å; L26-F128 HydrophobicContact CG-CD1 4.1Å; L26-F128 HydrophobicContact CG-CE1 4.43Å; L26-F128 HydrophobicContact CG-CG 4.14Å; L26-I131 HydrophobicContact CD1-CD1 4.17Å; L26-I131 HydrophobicContact CD1-CG2 4.03Å; L26-I131 HydrophobicContact CD2-CB 4.13Å; L26-I131 HydrophobicContact CD2-CG2 3.63Å; L26-R132 HydrophobicContact CD2-CG 3.68Å
27D91Very high94.5Very high125 Ų12562.7 Ų62.767%0.66833%0.331SS*.  trans-8067179.5-169.120.4000114N24N24-D27 HydrophobicContact CB-CB 4.31Å; N24-D27 PolarHBondContact O-N 2.65Å
28Y91.3Very high94.4Very high75 Ų7564.1 Ų64.129%0.29433%0.331SS..SBendtrans-115.78.8175.3-55.8-88000113.4L26 D30 R132 Y136 E138L26-Y28 VanDerWaalsContact C-N 3.31Å; L26-Y28 HydrophobicContact CD2-CE2 4.23Å; L26-Y28 PolarHBondContact O-N 3.35Å; Y28-D30 PolarHBondContact O-N 3.4Å; Y28-R132 HydrophobicContact CE2-CG 3.95Å; Y28-R132 WeakPolarHBondContact OH-CD 3.23Å; Y28-R132 VanDerWaalsContact OH-CG 3.29Å; Y28-R132 WeakPolarHBondContact OH-CG 3.35Å; Y28-Y136 AromaticContact CD1-CD1 3.74Å; Y28-Y136 HydrophobicContact CD1-CD1 3.74Å; Y28-Y136 HydrophobicContact CD1-CD2 4.42Å; Y28-Y136 HydrophobicContact CD1-CE1 4.26Å; Y28-Y136 AromaticContact CD1-CG 3.82Å; Y28-Y136 HydrophobicContact CD1-CG 3.82Å; Y28-Y136 HydrophobicContact CD2-CD1 4.08Å; Y28-Y136 AromaticContact CD2-CD2 3.61Å; Y28-Y136 HydrophobicContact CD2-CD2 3.61Å; Y28-Y136 HydrophobicContact CD2-CE1 4.05Å; Y28-Y136 AromaticContact CD2-CE2 3.57Å; Y28-Y136 HydrophobicContact CD2-CE2 3.57Å; Y28-Y136 AromaticContact CD2-CG 3.86Å; Y28-Y136 HydrophobicContact CD2-CG 3.86Å; Y28-Y136 AromaticContact CD2-CZ 3.79Å; Y28-Y136 HydrophobicContact CE1-CD1 4.27Å; Y28-Y136 HydrophobicContact CE1-CD2 4.4Å; Y28-Y136 AromaticContact CE1-CG 3.88Å; Y28-Y136 HydrophobicContact CE1-CG 3.88Å; Y28-Y136 AromaticContact CE2-CD2 3.58Å; Y28-Y136 HydrophobicContact CE2-CD2 3.58Å; Y28-Y136 AromaticContact CE2-CE2 3.93Å; Y28-Y136 HydrophobicContact CE2-CE2 3.93Å; Y28-Y136 AromaticContact CE2-CG 3.91Å; Y28-Y136 HydrophobicContact CE2-CG 3.91Å; Y28-Y136 AromaticContact CG-CD1 3.63Å; Y28-Y136 HydrophobicContact CG-CD1 3.63Å; Y28-Y136 HydrophobicContact CG-CD2 4.03Å; Y28-Y136 AromaticContact CG-CE1 3.69Å; Y28-Y136 HydrophobicContact CG-CE1 3.69Å; Y28-Y136 HydrophobicContact CG-CE2 4.09Å; Y28-Y136 AromaticContact CG-CG 3.79Å; Y28-Y136 HydrophobicContact CG-CG 3.79Å; Y28-Y136 AromaticContact CG-CZ 3.91Å; Y28-Y136 AromaticContact CZ-CD2 3.97Å; Y28-Y136 AromaticContact CZ-CG 3.9Å; Y28-E138 WeakPolarHBondContact OH-CG 3.47Å; Y28-E138 PolarHBondContact OH-OE1 2.88Å; Y28-E138 PolarHBondContact OH-OE2 3.12Å
29G89.9Confident94.2Very high77 Ų7766.1 Ų66.179%0.79435%0.349SS*.SBendtrans75.43.8-177.800000115.4
30D94.1Very high94.1Very high33 Ų3366.4 Ų66.418%0.17635%0.35CS..  trans-87142.3170.6-66-80.4000111.4Y28 V86 G89 R90 Y136Y28-D30 PolarHBondContact O-N 3.4Å; D30-V86 HydrophobicContact CB-CG2 4.29Å; D30-V86 WeakPolarHBondContact OD1-CG2 3.2Å; D30-G89 WeakPolarHBondContact CA-O 3.42Å; D30-G89 WeakPolarHBondContact OD1-CA 3.43Å; D30-R90 PolarHBondContact OD1-N 3.3Å; D30-Y136 WeakPolarHBondContact CB-OH 3.45Å; D30-Y136 VanDerWaalsContact CG-OH 3.28Å; D30-Y136 WeakPolarHBondContact OD2-CE1 3.44Å; D30-Y136 VanDerWaalsContact OD2-CZ 3.24Å; D30-Y136 PolarHBondContact OD2-OH 3.28Å
31E94.1Very high93.9Very high98 Ų9868.3 Ų68.346%0.45836%0.362SS..EExtended strand (participates in β ladder)trans-84125171.7-169.6-169.4156.200110.4N33 G89 G91E31-N33 PolarHBondContact OE1-ND2 3.11Å; E31-G89 PolarHBondContact N-O 3.25Å; E31-G91 PolarHBondContact O-N 3.03Å
32W97.5Very high93.9Very high1 Ų165.5 Ų65.50%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-108.1137.5-179.7-80.186000112F16 L20 L26 R85 V86 G91 V93 I131 Y136F16-W32 HydrophobicContact CE1-CB 4.29Å; F16-W32 HydrophobicContact CZ-CB 4.14Å; L20-W32 HydrophobicContact CD1-CB 4.17Å; L20-W32 HydrophobicContact CD2-CB 3.72Å; L26-W32 HydrophobicContact CD1-CD2 3.93Å; L26-W32 HydrophobicContact CD1-CG 3.93Å; W32-R85 WeakPolarHBondContact CH2-O 3.38Å; W32-V86 HydrophobicContact CH2-CB 4.3Å; W32-V86 HydrophobicContact CZ2-CB 3.96Å; W32-V86 HydrophobicContact CZ2-CG2 4.45Å; W32-G91 VanDerWaalsContact CD2-CA 3.47Å; W32-G91 VanDerWaalsContact CE3-CA 3.48Å; W32-V93 HydrophobicContact CE3-CG2 3.78Å; W32-V93 HydrophobicContact CZ3-CG2 3.78Å; W32-I131 HydrophobicContact CE3-CD1 4.02Å; W32-I131 HydrophobicContact CH2-CB 4.39Å; W32-I131 HydrophobicContact CH2-CD1 3.76Å; W32-I131 HydrophobicContact CH2-CG1 3.92Å; W32-I131 HydrophobicContact CH2-CG2 3.56Å; W32-I131 HydrophobicContact CZ2-CD1 4.37Å; W32-I131 HydrophobicContact CZ2-CG2 3.31Å; W32-I131 HydrophobicContact CZ3-CD1 3.57Å; W32-I131 HydrophobicContact CZ3-CG1 4.2Å; W32-I131 HydrophobicContact CZ3-CG2 4.42Å; W32-Y136 HydrophobicContact CZ2-CE2 4.08Å; W32-Y136 PolarHBondContact NE1-OH 3.26Å; W32-Y136 VanDerWaalsContact NE1-OH 3.07Å
33N96.7Very high93.8Very high77 Ų7767 Ų6741%0.41236%0.358SS..EExtended strand (participates in β ladder)trans-129133.8178.5-76.7-101.1000111.1E31 G91 V93E31-N33 PolarHBondContact OE1-ND2 3.11Å; N33-G91 PolarHBondContact N-O 3.08Å; N33-V93 PolarHBondContact O-N 2.81Å
34L98Very high93.7Very high12 Ų1264 Ų646%0.06334%0.342CS..EExtended strand (participates in β ladder)trans-96.1125.6172.6177.762.1000111W12 L13 F16 F36 V93 M95W12-L34 HydrophobicContact CB-CD2 4.28Å; L13-L34 HydrophobicContact CD2-CB 3.91Å; L13-L34 HydrophobicContact CD2-CD2 4.2Å; L13-L34 HydrophobicContact CD2-CG 4.08Å; L13-L34 WeakPolarHBondContact CD2-O 3.46Å; F16-L34 HydrophobicContact CB-CB 4.48Å; F16-L34 HydrophobicContact CB-CD2 3.85Å; F16-L34 HydrophobicContact CD1-CB 3.94Å; F16-L34 HydrophobicContact CD2-CB 3.92Å; F16-L34 HydrophobicContact CD2-CD2 3.9Å; F16-L34 HydrophobicContact CD2-CG 4.35Å; F16-L34 HydrophobicContact CE1-CB 4.09Å; F16-L34 HydrophobicContact CE2-CB 4.04Å; F16-L34 HydrophobicContact CG-CB 3.86Å; F16-L34 HydrophobicContact CG-CD2 3.96Å; F16-L34 HydrophobicContact CZ-CB 4.14Å; L34-F36 HydrophobicContact CD2-CZ 4.45Å; L34-V93 HydrophobicContact CD1-CB 3.9Å; L34-V93 HydrophobicContact CD1-CG1 3.53Å; L34-M95 HydrophobicContact CD1-CB 3.84Å
35N97.8Very high93.8Very high80 Ų8063.4 Ų63.443%0.42834%0.342SS..EExtended strand (participates in β ladder)trans-125165178.7-67.7-92000110.5V93 I94 M95N35-V93 PolarHBondContact N-O 2.64Å; N35-I94 CarbonylContact O-C 3.42Å; N35-I94 WeakPolarHBondContact O-CA 3.42Å; N35-M95 PolarHBondContact O-N 3.36Å
36F97.3Very high93.9Very high53 Ų5369.5 Ų69.523%0.23237%0.367CS..EExtended strand (participates in β ladder)trans-121.2135.3-179.6-53.9-97000110.9W7 P9 W12 L13 L34 Y38 M95W7-F36 HydrophobicContact CH2-CE1 4.1Å; W7-F36 AromaticContact CZ2-CD1 3.79Å; W7-F36 HydrophobicContact CZ2-CD1 3.79Å; W7-F36 AromaticContact CZ2-CE1 3.57Å; W7-F36 HydrophobicContact CZ2-CE1 3.57Å; P9-F36 HydrophobicContact CB-CD1 4.47Å; P9-F36 HydrophobicContact CB-CD2 4.42Å; P9-F36 HydrophobicContact CB-CE1 3.96Å; P9-F36 HydrophobicContact CB-CE2 3.98Å; P9-F36 HydrophobicContact CB-CZ 3.74Å; P9-F36 WeakPolarHBondContact O-CZ 3.22Å; W12-F36 HydrophobicContact CB-CE1 4.37Å; W12-F36 HydrophobicContact CB-CZ 4.25Å; L13-F36 HydrophobicContact CD1-CE2 4.05Å; L13-F36 HydrophobicContact CD2-CE2 3.83Å; L13-F36 HydrophobicContact CD2-CZ 4.2Å; L13-F36 HydrophobicContact CG-CE2 3.82Å; L13-F36 HydrophobicContact CG-CZ 4Å; L34-F36 HydrophobicContact CD2-CZ 4.45Å; F36-Y38 HydrophobicContact CB-CE2 4.17Å; F36-M95 WeakPolarHBondContact CA-O 3.44Å; F36-M95 HydrophobicContact CD1-CE 3.59Å; F36-M95 HydrophobicContact CE1-CE 3.1Å; F36-M95 HydrophobicContact CZ-CE 4.06Å
37N96.1Very high94.2Very high61 Ų6175.9 Ų75.933%0.32640%0.397SS..  trans-139.4105.2169.7-179.4-11.9000109.8T39 Q40 I94 M95 R96N37-T39 PolarHBondContact O-N 2.72Å; N37-T39 VanDerWaalsContact O-N 3.12Å; N37-T39 PolarHBondContact OD1-N 2.8Å; N37-T39 PolarHBondContact OD1-OG1 3.44Å; N37-Q40 HydrophobicContact CB-CB 4.31Å; N37-Q40 HydrophobicContact CB-CG 4.5Å; N37-Q40 WeakPolarHBondContact O-CG 3.41Å; N37-Q40 PolarHBondContact O-N 2.93Å; N37-Q40 PolarHBondContact OD1-N 3.17Å; N37-I94 HydrophobicContact CB-CG2 3.48Å; N37-I94 VanDerWaalsContact CB-CG2 3.48Å; N37-M95 PolarHBondContact N-O 3.42Å; N37-R96 WeakPolarHBondContact O-CB 3.44Å
38Y95.1Very high94.3Very high97 Ų9772.5 Ų72.538%0.3838%0.377SS..THydrogen-bonded Turntrans-75.43.5-176.2-55.8-76.9000114.7W7 F36 R96 P97 L112W7-Y38 AromaticContact NE1-CE1 3.68Å; W7-Y38 AromaticContact NE1-CZ 3.79Å; W7-Y38 PolarHBondContact NE1-OH 2.95Å; F36-Y38 HydrophobicContact CB-CE2 4.17Å; Y38-R96 PolarHBondContact O-NE 2.74Å; Y38-R96 VanDerWaalsContact O-NE 3.12Å; Y38-R96 PolarHBondContact O-NH2 2.76Å; Y38-P97 HydrophobicContact CE1-CG 4.15Å; Y38-L112 HydrophobicContact CD1-CD1 4.46Å; Y38-L112 HydrophobicContact CE1-CD1 4.21Å
39T93.4Very high94.5Very high110 Ų11076.5 Ų76.568%0.67539%0.392SS*.THydrogen-bonded Turntrans-113.7-8.917865.60000113.3N37 R96N37-T39 PolarHBondContact O-N 2.72Å; N37-T39 VanDerWaalsContact O-N 3.12Å; N37-T39 PolarHBondContact OD1-N 2.8Å; N37-T39 PolarHBondContact OD1-OG1 3.44Å; T39-R96 PolarHBondContact O-NH1 2.82Å
40Q92.8Very high94.7Very high13 Ų1381.7 Ų81.76%0.06139%0.393CS..  trans-66.8147.7-176.174.5175.1-32.400112.7N37 L81 I94 M95 R96N37-Q40 HydrophobicContact CB-CB 4.31Å; N37-Q40 HydrophobicContact CB-CG 4.5Å; N37-Q40 WeakPolarHBondContact O-CG 3.41Å; N37-Q40 PolarHBondContact O-N 2.93Å; N37-Q40 PolarHBondContact OD1-N 3.17Å; Q40-L81 HydrophobicContact CG-CD2 4.06Å; Q40-I94 VanDerWaalsContact NE2-C 3.32Å; Q40-I94 PolarHBondContact NE2-O 3.12Å; Q40-M95 PolarHBondContact NE2-O 3.39Å; Q40-R96 HydrophobicContact CG-CB 3.73Å; Q40-R96 VanDerWaalsContact NE2-N 3.12Å; Q40-R96 WeakPolarHBondContact O-CD 3.42Å; Q40-R96 PolarHBondContact O-NH1 2.84Å
41T92.1Very high94.7Very high49 Ų4987 Ų8730%0.30141%0.41SS..  trans-112.9172172.5670000110.8E43 L81 R83T41-E43 PolarHBondContact O-N 3.12Å; T41-E43 PolarHBondContact OG1-N 2.79Å; T41-L81 VanDerWaalsContact C-CD2 3.41Å; T41-R83 PolarHBondContact O-NH2 3.41Å
42N91.4Very high94.7Very high61 Ų6183.5 Ų83.533%0.32640%0.4SS..SBendtrans-70.3-9173.264.1-24.7000113.2V55 L81 I169N42-V55 HydrophobicContact CB-CG1 4.18Å; N42-L81 HydrophobicContact CB-CD1 4.01Å; N42-I169 HydrophobicContact CB-CD1 4.39Å; N42-I169 HydrophobicContact CB-CG1 4.47Å; N42-I169 HydrophobicContact CB-CG2 3.75Å
43E92.3Very high94.7Very high146 Ų14684.7 Ų84.768%0.68241%0.405SS*.  trans-77.9126.7-179.2-59.8-171.8160.700111.5T41 R83T41-E43 PolarHBondContact O-N 3.12Å; T41-E43 PolarHBondContact OG1-N 2.79Å; E43-R83 PolarHBondContact O-NH2 3.14Å
44I92.6Very high94.6Very high25 Ų2583.8 Ų83.813%0.12840%0.397CS..  trans-121.2127173.445.3172.7000109.6R49 V55 R83I44-R49 HydrophobicContact CB-CG 4.31Å; I44-R49 HydrophobicContact CD1-CG 3.45Å; I44-R49 VanDerWaalsContact CD1-CG 3.45Å; I44-R49 HydrophobicContact CG1-CG 3.85Å; I44-V55 HydrophobicContact CD1-CG2 4.21Å; I44-V55 HydrophobicContact CG1-CG2 4.33Å; I44-V55 HydrophobicContact CG2-CG2 3.51Å; I44-R83 VanDerWaalsContact CG2-CZ 3.47Å
45T94.1Very high94.5Very high79 Ų7985.2 Ų85.249%0.48541%0.406SS..  trans-65.9160.717864.80000111.2Q47 E48 R49T45-Q47 PolarHBondContact O-N 2.77Å; T45-E48 WeakPolarHBondContact CB-OE2 3.17Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.29Å; T45-E48 PolarHBondContact N-OE2 2.97Å; T45-E48 PolarHBondContact O-N 3.32Å; T45-E48 VanDerWaalsContact O-N 3.14Å; T45-E48 WeakPolarHBondContact OG1-CB 3.37Å; T45-E48 WeakPolarHBondContact OG1-CG 3.49Å; T45-E48 PolarHBondContact OG1-N 2.88Å; T45-E48 VanDerWaalsContact OG1-N 3.16Å; T45-E48 PolarHBondContact OG1-OE2 3.08Å; T45-R49 PolarHBondContact O-N 3.03Å
46K94.6Very high94.4Very high182 Ų18283.2 Ų83.279%0.79139%0.393SS*.Hα-helixtrans-57.3-36.5174.5-68.2-176.8-179.5178.20112.2K50K46-K50 WeakPolarHBondContact O-CG 3.25Å; K46-K50 PolarHBondContact O-N 3.03Å
47Q95.1Very high94.2Very high140 Ų14082.5 Ų82.565%0.65440%0.395SS*.Hα-helixtrans-69.4-39.7177.9-68.7-170.1-400111.9T45 K50 R51T45-Q47 PolarHBondContact O-N 2.77Å; Q47-K50 PolarHBondContact O-N 3.42Å; Q47-R51 VanDerWaalsContact O-CG 3.31Å; Q47-R51 WeakPolarHBondContact O-CG 3.48Å; Q47-R51 PolarHBondContact O-N 3.35Å
48E94.8Very high94Very high53 Ų5380.7 Ų80.725%0.24838%0.384CS..Hα-helixtrans-65.6-43175.9-73.4169.3124.500111.9T45 K50 R51 G52 W53 R83T45-E48 WeakPolarHBondContact CB-OE2 3.17Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.29Å; T45-E48 PolarHBondContact N-OE2 2.97Å; T45-E48 PolarHBondContact O-N 3.32Å; T45-E48 VanDerWaalsContact O-N 3.14Å; T45-E48 WeakPolarHBondContact OG1-CB 3.37Å; T45-E48 WeakPolarHBondContact OG1-CG 3.49Å; T45-E48 PolarHBondContact OG1-N 2.88Å; T45-E48 VanDerWaalsContact OG1-N 3.16Å; T45-E48 PolarHBondContact OG1-OE2 3.08Å; E48-K50 VanDerWaalsContact C-N 3.34Å; E48-K50 PolarHBondContact O-N 3.33Å; E48-R51 CarbonylContact O-C 3.5Å; E48-R51 WeakPolarHBondContact O-CA 3.37Å; E48-R51 WeakPolarHBondContact O-CB 3.32Å; E48-R51 PolarHBondContact O-N 3.32Å; E48-G52 PolarHBondContact O-N 2.84Å; E48-W53 HydrophobicContact CB-CB 4.16Å; E48-W53 HydrophobicContact CB-CG 4.26Å; E48-W53 WeakPolarHBondContact O-CB 3.36Å; E48-W53 PolarHBondContact O-N 3.16Å; E48-W53 VanDerWaalsContact O-N 3.08Å; E48-R83 IonicContact OE1-NH1 2.8Å; E48-R83 PolarHBondContact OE1-NH1 3.3Å; E48-R83 IonicContact OE2-NH1 3.54Å
49R94.3Very high93.8Very high159 Ų15977.1 Ų77.160%0.637%0.373SS*.Hα-helixtrans-56.5-47172.7-74.6179.5-176.2-109.90.3111.7I44 T45 R51 G52I44-R49 HydrophobicContact CB-CG 4.31Å; I44-R49 HydrophobicContact CD1-CG 3.45Å; I44-R49 VanDerWaalsContact CD1-CG 3.45Å; I44-R49 HydrophobicContact CG1-CG 3.85Å; T45-R49 PolarHBondContact O-N 3.03Å; R49-R51 PolarHBondContact O-N 3.35Å; R49-G52 WeakPolarHBondContact O-CA 3.48Å; R49-G52 PolarHBondContact O-N 2.85Å
50K93.9Very high93.6Very high187 Ų18772 Ų7281%0.81334%0.342SS*.Hα-helixtrans-61.1-27.4174.6-75-179.9179.4-171.50113.1K46 Q47 E48 G52K46-K50 WeakPolarHBondContact O-CG 3.25Å; K46-K50 PolarHBondContact O-N 3.03Å; Q47-K50 PolarHBondContact O-N 3.42Å; E48-K50 VanDerWaalsContact C-N 3.34Å; E48-K50 PolarHBondContact O-N 3.33Å; K50-G52 PolarHBondContact O-N 3.19Å
51R94.1Very high93.4Very high143 Ų14374.7 Ų74.754%0.5435%0.354SS..THydrogen-bonded Turntrans-84.510.8173.7-69.6174.6175.7-168-0.1113.2Q47 E48 R49Q47-R51 VanDerWaalsContact O-CG 3.31Å; Q47-R51 WeakPolarHBondContact O-CG 3.48Å; Q47-R51 PolarHBondContact O-N 3.35Å; E48-R51 CarbonylContact O-C 3.5Å; E48-R51 WeakPolarHBondContact O-CA 3.37Å; E48-R51 WeakPolarHBondContact O-CB 3.32Å; E48-R51 PolarHBondContact O-N 3.32Å; R49-R51 PolarHBondContact O-N 3.35Å
52G94.3Very high93.4Very high25 Ų2572.6 Ų72.626%0.25834%0.342SS..THydrogen-bonded Turntrans84.56.3174.600000115.1E48 R49 K50 R85E48-G52 PolarHBondContact O-N 2.84Å; R49-G52 WeakPolarHBondContact O-CA 3.48Å; R49-G52 PolarHBondContact O-N 2.85Å; K50-G52 PolarHBondContact O-N 3.19Å; G52-R85 WeakPolarHBondContact O-CB 3.47Å
53W97.1Very high93.5Very high27 Ų2771.7 Ų71.710%0.10234%0.335CS..  trans-68.9134.5177.3-73.9115.1000111.9E48 R83 R85 T92 I94E48-W53 HydrophobicContact CB-CB 4.16Å; E48-W53 HydrophobicContact CB-CG 4.26Å; E48-W53 WeakPolarHBondContact O-CB 3.36Å; E48-W53 PolarHBondContact O-N 3.16Å; E48-W53 VanDerWaalsContact O-N 3.08Å; W53-R83 HydrophobicContact CD2-CG 4.17Å; W53-R83 HydrophobicContact CE3-CG 3.49Å; W53-R83 VanDerWaalsContact CE3-CG 3.49Å; W53-R83 HydrophobicContact CZ3-CG 3.86Å; W53-R85 HydrophobicContact CD2-CB 4.15Å; W53-R85 HydrophobicContact CD2-CG 3.93Å; W53-R85 VanDerWaalsContact CE2-CD 3.49Å; W53-R85 HydrophobicContact CE3-CB 3.82Å; W53-R85 HydrophobicContact CE3-CG 3.69Å; W53-R85 HydrophobicContact CH2-CG 3.99Å; W53-R85 HydrophobicContact CZ2-CG 4.19Å; W53-R85 VanDerWaalsContact CZ2-CZ 3.47Å; W53-R85 HydrophobicContact CZ3-CB 4.27Å; W53-R85 HydrophobicContact CZ3-CG 3.73Å; W53-R85 VanDerWaalsContact NE1-NH1 3.16Å; W53-T92 HydrophobicContact CH2-CG2 3.94Å; W53-I94 HydrophobicContact CH2-CD1 3.65Å; W53-I94 HydrophobicContact CH2-CG1 4.16Å; W53-I94 HydrophobicContact CZ2-CD1 4.32Å; W53-I94 HydrophobicContact CZ3-CD1 4.21Å; W53-I94 HydrophobicContact CZ3-CG1 4.43Å
54K96Very high93.5Very high58 Ų5864.7 Ų64.725%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-129.6159.9177.2-53.7-172.5-175.7880109.2R83 Y84 N134 C135K54-R83 CarbonylContact O-C 3.53Å; K54-R83 VanDerWaalsContact O-CA 3.31Å; K54-R83 WeakPolarHBondContact O-CA 3.33Å; K54-Y84 HydrophobicContact CB-CD1 4.44Å; K54-Y84 HydrophobicContact CB-CD2 4.24Å; K54-Y84 HydrophobicContact CB-CE1 3.93Å; K54-Y84 HydrophobicContact CB-CE2 3.74Å; K54-Y84 HydrophobicContact CD-CE2 3.94Å; K54-Y84 HydrophobicContact CG-CE2 4.32Å; K54-Y84 PolarHBondContact N-O 3.06Å; K54-Y84 PolarHBondContact O-N 3.25Å; K54-N134 HydrophobicContact CD-CB 3.42Å; K54-N134 VanDerWaalsContact CD-CB 3.42Å; K54-N134 WeakPolarHBondContact CE-O 3.14Å; K54-N134 PolarHBondContact NZ-O 2.88Å; K54-C135 PolarHBondContact NZ-SG 2.98Å; K54-C135 VanDerWaalsContact NZ-SG 3.42Å
55V95.8Very high93.6Very high41 Ų4166.6 Ų66.625%0.24831%0.311CS..EExtended strand (participates in β ladder)trans-128.9141.1-179174.40000109.1N42 I44 L81 F82 R83N42-V55 HydrophobicContact CB-CG1 4.18Å; I44-V55 HydrophobicContact CD1-CG2 4.21Å; I44-V55 HydrophobicContact CG1-CG2 4.33Å; I44-V55 HydrophobicContact CG2-CG2 3.51Å; V55-L81 HydrophobicContact CG1-CD1 3.41Å; V55-L81 VanDerWaalsContact CG1-CD1 3.41Å; V55-L81 HydrophobicContact CG1-CG 4.48Å; V55-F82 CarbonylContact C-O 3.4Å; V55-F82 WeakPolarHBondContact CA-O 3.31Å; V55-R83 HydrophobicContact CG2-CG 4.38Å
56Y94.4Very high93.6Very high38 Ų3862.9 Ų62.915%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-141.7136.1173.1169.1-118.7000108.9H58 F82 R126 L127 K130Y56-H58 HydrophobicContact CE1-CB 3.98Å; Y56-H58 PolarHBondContact OH-ND1 3.3Å; Y56-F82 AromaticContact CD1-CD2 3.76Å; Y56-F82 HydrophobicContact CD1-CD2 3.76Å; Y56-F82 HydrophobicContact CD1-CE2 4.39Å; Y56-F82 HydrophobicContact CE1-CD2 4.2Å; Y56-F82 HydrophobicContact CE1-CE2 4.4Å; Y56-F82 PolarHBondContact N-O 3.16Å; Y56-F82 WeakPolarHBondContact O-CA 3.15Å; Y56-F82 PolarHBondContact O-N 3.02Å; Y56-R126 HydrophobicContact CE1-CB 4.2Å; Y56-R126 WeakPolarHBondContact OH-CB 3.45Å; Y56-L127 HydrophobicContact CD1-CB 4.29Å; Y56-L127 HydrophobicContact CD1-CD1 4.19Å; Y56-L127 HydrophobicContact CE1-CB 4.4Å; Y56-K130 HydrophobicContact CD1-CG 4.43Å; Y56-K130 HydrophobicContact CD2-CG 3.97Å; Y56-K130 HydrophobicContact CE2-CG 4.24Å; Y56-K130 HydrophobicContact CG-CG 4.09Å
57S93.3Very high93.4Very high39 Ų3956.4 Ų56.427%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-116.4140.7176.2-60.90000109.4V80 L81S57-V80 WeakPolarHBondContact CA-O 3.22Å; S57-L81 VanDerWaalsContact OG-CD1 3.22Å; S57-L81 WeakPolarHBondContact OG-CD1 3.41Å
58H92.1Very high93.3Very high23 Ų2353.3 Ų53.311%0.10627%0.271CS..EExtended strand (participates in β ladder)trans-129.6136.3177.3-172.471.5000110.4Y56 L79 V80 F82 A123Y56-H58 HydrophobicContact CE1-CB 3.98Å; Y56-H58 PolarHBondContact OH-ND1 3.3Å; H58-L79 WeakPolarHBondContact O-CA 3.34Å; H58-V80 PolarHBondContact N-O 2.89Å; H58-V80 PolarHBondContact O-N 3.4Å; H58-F82 HydrophobicContact CB-CE2 4.12Å; H58-A123 VanDerWaalsContact CD2-CB 3.42Å; H58-A123 WeakPolarHBondContact CD2-CB 3.38Å
59C90.8Very high93.2Very high21 Ų2152.5 Ų52.514%0.14227%0.271CS..EExtended strand (participates in β ladder)trans-103.1121.5174.7-81.10000109.3L79 C171C59-L79 VanDerWaalsContact SG-CD1 3.57Å; C59-C171 HydrophobicContact CB-CB 4.3Å; C59-C171 WeakPolarHBondContact CB-SG 3.46Å; C59-C171 WeakPolarHBondContact SG-CB 3.42Å; C59-C171 CovalentContact SG-SG 2.07Å; C59-C171 PolarHBondContact SG-SG 3.12Å
60A89.4Confident93.2Very high3 Ų352.9 Ų52.93%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-128.3169-178.700000112.1G62 A76 A78 F115 D119A60-G62 PolarHBondContact O-N 2.8Å; A60-A76 CarbonylContact O-C 3.55Å; A60-A78 PolarHBondContact N-O 2.86Å; A60-A78 WeakPolarHBondContact O-CB 3.37Å; A60-A78 PolarHBondContact O-N 2.88Å; A60-F115 HydrophobicContact CB-CD1 4.23Å; A60-F115 HydrophobicContact CB-CE1 3.92Å; A60-D119 HydrophobicContact CB-CB 4.44Å
61F90.1Very high93.1Very high70 Ų7047.8 Ų47.831%0.30725%0.25SS..EExtended strand (participates in β ladder)trans-75.4119.9172.5-72.6-97000110S75 A76 F115 K151 W153F61-S75 WeakPolarHBondContact CA-O 3.41Å; F61-A76 HydrophobicContact CD1-CB 3.79Å; F61-A76 HydrophobicContact CE1-CB 3.32Å; F61-A76 HydrophobicContact CE2-CB 4.45Å; F61-A76 HydrophobicContact CZ-CB 3.69Å; F61-F115 WeakPolarHBondContact O-CD1 3.26Å; F61-K151 HydrophobicContact CD2-CD 4.14Å; F61-K151 HydrophobicContact CE2-CB 4.25Å; F61-K151 HydrophobicContact CE2-CD 3.19Å; F61-K151 HydrophobicContact CE2-CG 4.37Å; F61-K151 HydrophobicContact CZ-CB 4.12Å; F61-K151 HydrophobicContact CZ-CD 3.51Å; F61-K151 HydrophobicContact CZ-CG 4.41Å; F61-W153 AromaticContact CE2-NE1 3.93Å; F61-W153 AromaticContact CZ-CD1 3.7Å; F61-W153 AromaticContact CZ-NE1 3.72Å
62G91.1Very high93.1Very high5 Ų544.6 Ų44.65%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-115.8145.1176.200000111.6A60 R74 S75A60-G62 PolarHBondContact O-N 2.8Å; G62-R74 WeakPolarHBondContact O-CA 3.43Å; G62-S75 PolarHBondContact N-O 2.7Å; G62-S75 PolarHBondContact O-N 3.02Å
63K93.4Very high93Very high41 Ų4145 Ų4518%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-108.7133.7167.2-170.4-175.9-175.5-166.90108.5T3 T5 R74 G114T3-K63 PolarHBondContact O-NZ 3.08Å; T5-K63 HydrophobicContact CG2-CD 3.53Å; T5-K63 HydrophobicContact CG2-CG 3.97Å; K63-R74 HydrophobicContact CG-CG 4.29Å; K63-G114 PolarHBondContact N-O 3.08Å; K63-G114 PolarHBondContact O-N 3.27Å
64F93.5Very high92.7Very high0 Ų052.9 Ų52.90%027%0.27CS..EExtended strand (participates in β ladder)trans-118.7153.9-176.1-62.6-97.4000109.9T72 W73 A78 Q100 D111 P113F64-T72 VanDerWaalsContact O-CA 3.23Å; F64-T72 WeakPolarHBondContact O-CA 3.44Å; F64-T72 WeakPolarHBondContact O-CB 3.31Å; F64-W73 HydrophobicContact CB-CD2 3.63Å; F64-W73 HydrophobicContact CB-CE3 4.13Å; F64-W73 HydrophobicContact CB-CG 4.14Å; F64-W73 HydrophobicContact CB-CH2 3.91Å; F64-W73 HydrophobicContact CB-CZ2 3.4Å; F64-W73 VanDerWaalsContact CB-CZ2 3.4Å; F64-W73 HydrophobicContact CB-CZ3 4.25Å; F64-W73 HydrophobicContact CD1-CZ2 4.25Å; F64-W73 AromaticContact CD2-CD1 3.97Å; F64-W73 AromaticContact CD2-NE1 3.65Å; F64-W73 HydrophobicContact CG-CD2 4.5Å; F64-W73 AromaticContact CG-CE2 3.76Å; F64-W73 AromaticContact CG-CZ2 3.97Å; F64-W73 HydrophobicContact CG-CZ2 3.97Å; F64-W73 AromaticContact CG-NE1 3.59Å; F64-W73 PolarHBondContact N-O 3.42Å; F64-W73 PolarHBondContact O-N 3.46Å; F64-W73 VanDerWaalsContact O-N 3.08Å; F64-A78 HydrophobicContact CE2-CB 4.3Å; F64-A78 HydrophobicContact CZ-CB 3.98Å; F64-Q100 HydrophobicContact CD1-CB 4Å; F64-Q100 HydrophobicContact CD1-CG 4.45Å; F64-Q100 HydrophobicContact CE1-CB 3.76Å; F64-Q100 HydrophobicContact CE1-CG 3.77Å; F64-Q100 HydrophobicContact CE2-CG 4.23Å; F64-Q100 HydrophobicContact CG-CB 4.49Å; F64-Q100 HydrophobicContact CZ-CB 4.08Å; F64-Q100 HydrophobicContact CZ-CG 3.63Å; F64-D111 WeakPolarHBondContact CD1-O 3.39Å; F64-D111 WeakPolarHBondContact CE1-O 3.45Å; F64-P113 HydrophobicContact CD1-CB 4.27Å; F64-P113 HydrophobicContact CE1-CB 3.66Å; F64-P113 HydrophobicContact CE1-CG 4.09Å; F64-P113 HydrophobicContact CE2-CB 4.15Å; F64-P113 HydrophobicContact CZ-CB 3.6Å; F64-P113 HydrophobicContact CZ-CG 4.17Å
65Q94.4Very high92.3Very high64 Ų6450.8 Ų50.830%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-142.7123.8172.6176.6173.315.300109.6T5 G67 K71 T72T5-Q65 VanDerWaalsContact CB-OE1 3.29Å; T5-Q65 HydrophobicContact CG2-CB 4.23Å; T5-Q65 PolarHBondContact OG1-OE1 3.43Å; Q65-G67 PolarHBondContact O-N 2.96Å; Q65-K71 WeakPolarHBondContact CA-O 3.32Å; Q65-T72 HydrophobicContact CB-CG2 3.97Å; Q65-T72 HydrophobicContact CG-CG2 3.93Å
66C93.9Very high91.8Very high1 Ų149.8 Ų49.81%0.00726%0.259CS..  trans-66.5126.4177.7178.40000110.9A68 C69 R70 K71 W73 C102 C105 D111C66-A68 VanDerWaalsContact C-N 3.28Å; C66-A68 PolarHBondContact O-N 2.85Å; C66-A68 PolarHBondContact SG-N 2.9Å; C66-A68 VanDerWaalsContact SG-N 3.38Å; C66-C69 PolarHBondContact SG-N 3.35Å; C66-C69 VanDerWaalsContact SG-N 3.36Å; C66-C69 VanDerWaalsContact SG-SG 3.65Å; C66-R70 WeakPolarHBondContact O-CA 3.42Å; C66-R70 PolarHBondContact O-N 2.89Å; C66-R70 VanDerWaalsContact O-N 3.08Å; C66-K71 PolarHBondContact N-O 3.25Å; C66-W73 HydrophobicContact CB-CH2 4.18Å; C66-W73 HydrophobicContact CB-CZ3 3.8Å; C66-C102 HydrophobicContact CB-CB 3.89Å; C66-C105 VanDerWaalsContact SG-SG 3.64Å; C66-D111 VanDerWaalsContact CA-OD2 3.31Å; C66-D111 WeakPolarHBondContact CA-OD2 3.28Å
67G90.5Very high91.5Very high46 Ų4649.6 Ų49.647%0.47426%0.258SS..THydrogen-bonded Turntrans-56.6-39.9172.700000113.2Q65 D111Q65-G67 PolarHBondContact O-N 2.96Å; G67-D111 PolarHBondContact N-OD1 3.38Å
68A92Very high91.4Very high76 Ų7647.8 Ų47.863%0.62825%0.245SC*.THydrogen-bonded Turntrans-82.2-59.6-174.700000113.9C66C66-A68 VanDerWaalsContact C-N 3.28Å; C66-A68 PolarHBondContact O-N 2.85Å; C66-A68 PolarHBondContact SG-N 2.9Å; C66-A68 VanDerWaalsContact SG-N 3.38Å
69C93.7Very high91.5Very high35 Ų3546.8 Ų46.824%0.23624%0.24CC..THydrogen-bonded Turntrans-981.1-173.4750000114.5C66 K71 C102C66-C69 PolarHBondContact SG-N 3.35Å; C66-C69 VanDerWaalsContact SG-N 3.36Å; C66-C69 VanDerWaalsContact SG-SG 3.65Å; C69-K71 PolarHBondContact O-N 2.86Å; C69-K71 WeakPolarHBondContact SG-CB 3.47Å; C69-C102 VanDerWaalsContact SG-SG 3.62Å
70R92.9Very high91.7Very high168 Ų16845.8 Ų45.863%0.63423%0.234SC*.  trans58.16.4-177.9-54.2-58.3-169174.60.7115.6C66 T72C66-R70 WeakPolarHBondContact O-CA 3.42Å; C66-R70 PolarHBondContact O-N 2.89Å; C66-R70 VanDerWaalsContact O-N 3.08Å; R70-T72 PolarHBondContact O-N 2.93Å
71K92.8Very high92Very high80 Ų8045.6 Ų45.635%0.34823%0.233SC..  trans-55.5134.8171.9-177.6179.7179.9-1790108.7Q65 C66 C69 W73 S103 R104Q65-K71 WeakPolarHBondContact CA-O 3.32Å; C66-K71 PolarHBondContact N-O 3.25Å; C69-K71 PolarHBondContact O-N 2.86Å; C69-K71 WeakPolarHBondContact SG-CB 3.47Å; K71-W73 HydrophobicContact CG-CE3 4.44Å; K71-W73 VanDerWaalsContact O-CZ3 3.32Å; K71-W73 WeakPolarHBondContact O-CZ3 3.31Å; K71-S103 PolarHBondContact NZ-OG 3.36Å; K71-R104 HydrophobicContact CD-CB 4.13Å
72T93.1Very high92.4Very high75 Ų7542.3 Ų42.346%0.4622%0.218SC..EExtended strand (participates in β ladder)trans-110.4146.5173650000109.9T5 F64 Q65 R70T5-T72 HydrophobicContact CG2-CG2 4.05Å; F64-T72 VanDerWaalsContact O-CA 3.23Å; F64-T72 WeakPolarHBondContact O-CA 3.44Å; F64-T72 WeakPolarHBondContact O-CB 3.31Å; Q65-T72 HydrophobicContact CB-CG2 3.97Å; Q65-T72 HydrophobicContact CG-CG2 3.93Å; R70-T72 PolarHBondContact O-N 2.93Å
73W92.4Very high92.7Very high35 Ų3543 Ų4313%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-145.7170.317364.4102.6000109.9F64 C66 K71 Q100 C102 D111F64-W73 HydrophobicContact CB-CD2 3.63Å; F64-W73 HydrophobicContact CB-CE3 4.13Å; F64-W73 HydrophobicContact CB-CG 4.14Å; F64-W73 HydrophobicContact CB-CH2 3.91Å; F64-W73 HydrophobicContact CB-CZ2 3.4Å; F64-W73 VanDerWaalsContact CB-CZ2 3.4Å; F64-W73 HydrophobicContact CB-CZ3 4.25Å; F64-W73 HydrophobicContact CD1-CZ2 4.25Å; F64-W73 AromaticContact CD2-CD1 3.97Å; F64-W73 AromaticContact CD2-NE1 3.65Å; F64-W73 HydrophobicContact CG-CD2 4.5Å; F64-W73 AromaticContact CG-CE2 3.76Å; F64-W73 AromaticContact CG-CZ2 3.97Å; F64-W73 HydrophobicContact CG-CZ2 3.97Å; F64-W73 AromaticContact CG-NE1 3.59Å; F64-W73 PolarHBondContact N-O 3.42Å; F64-W73 PolarHBondContact O-N 3.46Å; F64-W73 VanDerWaalsContact O-N 3.08Å; C66-W73 HydrophobicContact CB-CH2 4.18Å; C66-W73 HydrophobicContact CB-CZ3 3.8Å; K71-W73 HydrophobicContact CG-CE3 4.44Å; K71-W73 VanDerWaalsContact O-CZ3 3.32Å; K71-W73 WeakPolarHBondContact O-CZ3 3.31Å; W73-Q100 HydrophobicContact CZ2-CB 4.17Å; W73-C102 HydrophobicContact CH2-CB 4.04Å; W73-C102 HydrophobicContact CZ3-CB 4.27Å; W73-D111 HydrophobicContact CH2-CB 4.2Å; W73-D111 WeakPolarHBondContact CH2-OD2 3.42Å
74R90.4Very high92.9Very high192 Ų19241.2 Ų41.273%0.72521%0.211SC*.EExtended strand (participates in β ladder)trans-124.8142.6177.5-63-179.2-175.9178.30.8107.9G62 K63G62-R74 WeakPolarHBondContact O-CA 3.43Å; K63-R74 HydrophobicContact CG-CG 4.29Å
75S88.2Confident93.1Very high13 Ų1343.9 Ų43.99%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-128.9138171.4-160.50000109.5F61 G62 R77 Q100F61-S75 WeakPolarHBondContact CA-O 3.41Å; G62-S75 PolarHBondContact N-O 2.7Å; G62-S75 PolarHBondContact O-N 3.02Å; S75-R77 PolarHBondContact OG-N 2.77Å; S75-Q100 PolarHBondContact OG-NE2 2.07Å
76A85.4Confident93.2Very high20 Ų2042.5 Ų42.517%0.16522%0.217CC..EExtended strand (participates in β ladder)trans-81.1-5.9172.100000113A60 F61 W153A60-A76 CarbonylContact O-C 3.55Å; F61-A76 HydrophobicContact CD1-CB 3.79Å; F61-A76 HydrophobicContact CE1-CB 3.32Å; F61-A76 HydrophobicContact CE2-CB 4.45Å; F61-A76 HydrophobicContact CZ-CB 3.69Å; A76-W153 HydrophobicContact CB-CB 4.36Å; A76-W153 HydrophobicContact CB-CD2 4.49Å; A76-W153 HydrophobicContact CB-CG 3.79Å
77R87.7Confident93.2Very high34 Ų3448.6 Ų48.613%0.12824%0.24CC..EExtended strand (participates in β ladder)trans-127.663.4-177.2-74.7174.661.8176.41.4110.1S75 Q100 W153 H157 C171S75-R77 PolarHBondContact OG-N 2.77Å; R77-Q100 PolarHBondContact O-NE2 3.08Å; R77-W153 HydrophobicContact CG-CD2 4.4Å; R77-W153 HydrophobicContact CG-CE3 4.33Å; R77-W153 HydrophobicContact CG-CH2 4.22Å; R77-W153 HydrophobicContact CG-CZ2 4.28Å; R77-W153 HydrophobicContact CG-CZ3 4.25Å; R77-H157 WeakPolarHBondContact CB-ND1 3.1Å; R77-C171 PolarHBondContact NH2-O 2.79Å
78A91Very high93.2Very high1 Ų153.3 Ų53.31%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-86.8113.116200000108.1A60 F64 P113 F115A60-A78 PolarHBondContact N-O 2.86Å; A60-A78 WeakPolarHBondContact O-CB 3.37Å; A60-A78 PolarHBondContact O-N 2.88Å; F64-A78 HydrophobicContact CE2-CB 4.3Å; F64-A78 HydrophobicContact CZ-CB 3.98Å; A78-P113 HydrophobicContact CB-CB 3.99Å; A78-P113 HydrophobicContact CB-CG 4.16Å; A78-F115 HydrophobicContact CB-CE1 3.89Å; A78-F115 HydrophobicContact CB-CZ 4.02Å
79L93.9Very high93.1Very high2 Ų251.6 Ų51.61%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-81.4133.9-177.7-169.880.8000110.2H58 C59 F98 A164 I169 C171H58-L79 WeakPolarHBondContact O-CA 3.34Å; C59-L79 VanDerWaalsContact SG-CD1 3.57Å; L79-F98 HydrophobicContact CB-CB 4.23Å; L79-F98 HydrophobicContact CB-CD2 4.08Å; L79-F98 HydrophobicContact CB-CG 4.42Å; L79-F98 HydrophobicContact CD2-CD2 3.67Å; L79-F98 HydrophobicContact CD2-CE2 3.83Å; L79-F98 HydrophobicContact CD2-CG 4.25Å; L79-F98 HydrophobicContact CG-CD2 4.1Å; L79-F98 PolarHBondContact O-N 2.84Å; L79-A164 HydrophobicContact CB-CB 3.87Å; L79-A164 HydrophobicContact CD2-CB 3.5Å; L79-A164 HydrophobicContact CG-CB 4.28Å; L79-I169 HydrophobicContact CD2-CB 4.16Å; L79-I169 HydrophobicContact CD2-CG2 3.7Å; L79-C171 WeakPolarHBondContact CD1-SG 3.39Å
80V95.3Very high93.2Very high0 Ų058 Ų580%026%0.264CS..EExtended strand (participates in β ladder)trans-120.2124.9165.8-174.20000108.3W12 S57 H58 F82 M95 F115W12-V80 HydrophobicContact CH2-CG1 4.24Å; W12-V80 HydrophobicContact CH2-CG2 4.06Å; W12-V80 HydrophobicContact CZ2-CG2 4.21Å; S57-V80 WeakPolarHBondContact CA-O 3.22Å; H58-V80 PolarHBondContact N-O 2.89Å; H58-V80 PolarHBondContact O-N 3.4Å; V80-F82 HydrophobicContact CB-CE2 4.09Å; V80-F82 HydrophobicContact CB-CZ 4.24Å; V80-F82 HydrophobicContact CG1-CD2 4.39Å; V80-F82 HydrophobicContact CG1-CE1 4Å; V80-F82 HydrophobicContact CG1-CE2 3.7Å; V80-F82 HydrophobicContact CG1-CZ 3.48Å; V80-F82 VanDerWaalsContact CG1-CZ 3.48Å; V80-M95 HydrophobicContact CG1-CG 3.43Å; V80-M95 VanDerWaalsContact CG1-CG 3.43Å; V80-M95 HydrophobicContact CG1-SD 3.48Å; V80-M95 WeakPolarHBondContact CG1-SD 3.4Å; V80-F115 HydrophobicContact CG2-CE1 4.21Å; V80-F115 HydrophobicContact CG2-CE2 4.22Å; V80-F115 HydrophobicContact CG2-CZ 3.6Å
81L96.5Very high93.4Very high0 Ų050.1 Ų50.10%023%0.234CC..EExtended strand (participates in β ladder)trans-103.6132.6177.7177.573.7000109.9Q40 T41 N42 V55 S57 M95 R96 F98Q40-L81 HydrophobicContact CG-CD2 4.06Å; T41-L81 VanDerWaalsContact C-CD2 3.41Å; N42-L81 HydrophobicContact CB-CD1 4.01Å; V55-L81 HydrophobicContact CG1-CD1 3.41Å; V55-L81 VanDerWaalsContact CG1-CD1 3.41Å; V55-L81 HydrophobicContact CG1-CG 4.48Å; S57-L81 VanDerWaalsContact OG-CD1 3.22Å; S57-L81 WeakPolarHBondContact OG-CD1 3.41Å; L81-M95 CarbonylContact O-C 3.52Å; L81-M95 VanDerWaalsContact O-CA 3.25Å; L81-M95 WeakPolarHBondContact O-CA 3.34Å; L81-R96 PolarHBondContact N-O 2.9Å; L81-R96 PolarHBondContact O-N 2.83Å; L81-F98 HydrophobicContact CB-CE2 3.6Å; L81-F98 HydrophobicContact CB-CZ 4.39Å; L81-F98 HydrophobicContact CD2-CE2 4.21Å; L81-F98 HydrophobicContact CD2-CZ 4.19Å
82F97.5Very high93.7Very high0 Ų048 Ų480%023%0.228CC..EExtended strand (participates in β ladder)trans-117.4128.3175.5-56.2-85.7000109.5W12 V55 Y56 H58 V80 V93 I94 M95 A123 L124 L127W12-F82 HydrophobicContact CH2-CZ 4.5Å; W12-F82 HydrophobicContact CZ3-CE1 4.31Å; W12-F82 AromaticContact CZ3-CZ 3.95Å; W12-F82 HydrophobicContact CZ3-CZ 3.95Å; V55-F82 CarbonylContact C-O 3.4Å; V55-F82 WeakPolarHBondContact CA-O 3.31Å; Y56-F82 AromaticContact CD1-CD2 3.76Å; Y56-F82 HydrophobicContact CD1-CD2 3.76Å; Y56-F82 HydrophobicContact CD1-CE2 4.39Å; Y56-F82 HydrophobicContact CE1-CD2 4.2Å; Y56-F82 HydrophobicContact CE1-CE2 4.4Å; Y56-F82 PolarHBondContact N-O 3.16Å; Y56-F82 WeakPolarHBondContact O-CA 3.15Å; Y56-F82 PolarHBondContact O-N 3.02Å; H58-F82 HydrophobicContact CB-CE2 4.12Å; V80-F82 HydrophobicContact CB-CE2 4.09Å; V80-F82 HydrophobicContact CB-CZ 4.24Å; V80-F82 HydrophobicContact CG1-CD2 4.39Å; V80-F82 HydrophobicContact CG1-CE1 4Å; V80-F82 HydrophobicContact CG1-CE2 3.7Å; V80-F82 HydrophobicContact CG1-CZ 3.48Å; V80-F82 VanDerWaalsContact CG1-CZ 3.48Å; F82-V93 HydrophobicContact CB-CG1 4.47Å; F82-V93 HydrophobicContact CD1-CG1 3.93Å; F82-I94 WeakPolarHBondContact CA-O 3.43Å; F82-M95 HydrophobicContact CD1-CB 4.03Å; F82-M95 HydrophobicContact CD1-CG 3.75Å; F82-M95 HydrophobicContact CD1-SD 4.08Å; F82-M95 HydrophobicContact CE1-CB 4.22Å; F82-M95 HydrophobicContact CE1-CG 3.59Å; F82-M95 HydrophobicContact CE1-SD 3.32Å; F82-M95 WeakPolarHBondContact CE1-SD 3.42Å; F82-M95 HydrophobicContact CZ-CG 4.31Å; F82-M95 HydrophobicContact CZ-SD 3.89Å; F82-A123 HydrophobicContact CZ-CB 4.42Å; F82-L124 HydrophobicContact CE1-CD2 4.17Å; F82-L127 HydrophobicContact CB-CD1 3.72Å; F82-L127 HydrophobicContact CD1-CD1 4.32Å; F82-L127 HydrophobicContact CD1-CD2 3.61Å; F82-L127 HydrophobicContact CD1-CG 4.43Å; F82-L127 HydrophobicContact CE1-CD2 3.91Å; F82-L127 HydrophobicContact CG-CD1 3.96Å; F82-L127 HydrophobicContact CG-CD2 4.1Å; F82-L127 HydrophobicContact CG-CG 4.45Å
83R97.5Very high93.9Very high21 Ų2144.4 Ų44.48%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-111.4126.3165.3-178.9-174.2-64.2-130.6-9107.8T41 E43 I44 E48 W53 K54 V55 V93 I94T41-R83 PolarHBondContact O-NH2 3.41Å; E43-R83 PolarHBondContact O-NH2 3.14Å; I44-R83 VanDerWaalsContact CG2-CZ 3.47Å; E48-R83 IonicContact OE1-NH1 2.8Å; E48-R83 PolarHBondContact OE1-NH1 3.3Å; E48-R83 IonicContact OE2-NH1 3.54Å; W53-R83 HydrophobicContact CD2-CG 4.17Å; W53-R83 HydrophobicContact CE3-CG 3.49Å; W53-R83 VanDerWaalsContact CE3-CG 3.49Å; W53-R83 HydrophobicContact CZ3-CG 3.86Å; K54-R83 CarbonylContact O-C 3.53Å; K54-R83 VanDerWaalsContact O-CA 3.31Å; K54-R83 WeakPolarHBondContact O-CA 3.33Å; V55-R83 HydrophobicContact CG2-CG 4.38Å; R83-V93 CarbonylContact O-C 3.53Å; R83-V93 WeakPolarHBondContact O-CA 3.5Å; R83-I94 HydrophobicContact CB-CB 4.39Å; R83-I94 PolarHBondContact N-O 3.22Å; R83-I94 PolarHBondContact O-N 3.05Å
84Y98.1Very high94.2Very high3 Ų344.3 Ų44.31%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-141.9155.7-172.662.8-83.6000113K54 T92 L127 I131 N134K54-Y84 HydrophobicContact CB-CD1 4.44Å; K54-Y84 HydrophobicContact CB-CD2 4.24Å; K54-Y84 HydrophobicContact CB-CE1 3.93Å; K54-Y84 HydrophobicContact CB-CE2 3.74Å; K54-Y84 HydrophobicContact CD-CE2 3.94Å; K54-Y84 HydrophobicContact CG-CE2 4.32Å; K54-Y84 PolarHBondContact N-O 3.06Å; K54-Y84 PolarHBondContact O-N 3.25Å; Y84-T92 CarbonylContact C-O 3.58Å; Y84-T92 WeakPolarHBondContact CA-O 3.5Å; Y84-L127 HydrophobicContact CD1-CD1 3.81Å; Y84-L127 HydrophobicContact CE1-CD1 4.21Å; Y84-L127 HydrophobicContact CG-CD1 4.24Å; Y84-I131 HydrophobicContact CD2-CD1 4.39Å; Y84-I131 HydrophobicContact CD2-CG1 3.53Å; Y84-I131 HydrophobicContact CE2-CG1 3.87Å; Y84-I131 HydrophobicContact CG-CG1 4.09Å; Y84-N134 HydrophobicContact CE2-CB 4.5Å; Y84-N134 PolarHBondContact OH-ND2 2.96Å
85R97.1Very high94.5Very high55 Ų5535.2 Ų35.221%0.20817%0.173CC..EExtended strand (participates in β ladder)trans-159.4160.2170.968.1174.7-178.3-169.9-0.8110.6W32 G52 W53 G91 T92W32-R85 WeakPolarHBondContact CH2-O 3.38Å; G52-R85 WeakPolarHBondContact O-CB 3.47Å; W53-R85 HydrophobicContact CD2-CB 4.15Å; W53-R85 HydrophobicContact CD2-CG 3.93Å; W53-R85 VanDerWaalsContact CE2-CD 3.49Å; W53-R85 HydrophobicContact CE3-CB 3.82Å; W53-R85 HydrophobicContact CE3-CG 3.69Å; W53-R85 HydrophobicContact CH2-CG 3.99Å; W53-R85 HydrophobicContact CZ2-CG 4.19Å; W53-R85 VanDerWaalsContact CZ2-CZ 3.47Å; W53-R85 HydrophobicContact CZ3-CB 4.27Å; W53-R85 HydrophobicContact CZ3-CG 3.73Å; W53-R85 VanDerWaalsContact NE1-NH1 3.16Å; R85-G91 CarbonylContact O-C 3.52Å; R85-G91 WeakPolarHBondContact O-CA 3.49Å; R85-T92 PolarHBondContact N-O 3.42Å; R85-T92 PolarHBondContact O-N 3.38Å
86V96.6Very high95Very high36 Ų3635.5 Ų35.522%0.21817%0.173CC..EExtended strand (participates in β ladder)trans-114.6138.5160.4670000108.9D30 W32 R90 C135D30-V86 HydrophobicContact CB-CG2 4.29Å; D30-V86 WeakPolarHBondContact OD1-CG2 3.2Å; W32-V86 HydrophobicContact CH2-CB 4.3Å; W32-V86 HydrophobicContact CZ2-CB 3.96Å; W32-V86 HydrophobicContact CZ2-CG2 4.45Å; V86-R90 WeakPolarHBondContact CA-O 3.38Å; V86-C135 HydrophobicContact CB-CB 4.5Å; V86-C135 HydrophobicContact CG1-CB 3.7Å
87R93.8Very high95.5Very high128 Ų12834.6 Ų34.648%0.48317%0.165SC..EExtended strand (participates in β ladder)trans-155.5130.2174.1-170.8175.5-179.6-170.2-0.5110.7G89 R90R87-G89 PolarHBondContact O-N 2.82Å; R87-R90 PolarHBondContact N-O 3.44Å; R87-R90 PolarHBondContact O-N 2.99Å
88N91.1Very high95.9Very high145 Ų14533.1 Ų33.178%0.77516%0.16SC*.THydrogen-bonded Turntrans54.548.3175.9-54.9-13.4000113.3R90N88-R90 VanDerWaalsContact C-N 3.28Å; N88-R90 PolarHBondContact O-N 3.03Å
89G90.6Very high96Very high41 Ų4133.1 Ų33.142%0.42316%0.159SC..THydrogen-bonded Turntrans80.94.4178.600000114.7D30 E31 R87D30-G89 WeakPolarHBondContact CA-O 3.42Å; D30-G89 WeakPolarHBondContact OD1-CA 3.43Å; E31-G89 PolarHBondContact N-O 3.25Å; R87-G89 PolarHBondContact O-N 2.82Å
90R95.4Very high96.1Very high170 Ų17033.4 Ų33.464%0.64216%0.161SC*.EExtended strand (participates in β ladder)trans-132.9122.5-172.5-64.1-172-176.6-163.2-1.9112.3D30 V86 R87 N88D30-R90 PolarHBondContact OD1-N 3.3Å; V86-R90 WeakPolarHBondContact CA-O 3.38Å; R87-R90 PolarHBondContact N-O 3.44Å; R87-R90 PolarHBondContact O-N 2.99Å; N88-R90 VanDerWaalsContact C-N 3.28Å; N88-R90 PolarHBondContact O-N 3.03Å
91G97.3Very high96.1Very high1 Ų133.9 Ų33.91%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-87.1141.3171.200000112.5E31 W32 N33 R85E31-G91 PolarHBondContact O-N 3.03Å; W32-G91 VanDerWaalsContact CD2-CA 3.47Å; W32-G91 VanDerWaalsContact CE3-CA 3.48Å; N33-G91 PolarHBondContact N-O 3.08Å; R85-G91 CarbonylContact O-C 3.52Å; R85-G91 WeakPolarHBondContact O-CA 3.49Å
92T98.1Very high95.9Very high36 Ų3633.9 Ų33.922%0.22117%0.165CC..EExtended strand (participates in β ladder)trans-134.5128.8174.1-52.20000109.1W53 Y84 R85 I94W53-T92 HydrophobicContact CH2-CG2 3.94Å; Y84-T92 CarbonylContact C-O 3.58Å; Y84-T92 WeakPolarHBondContact CA-O 3.5Å; R85-T92 PolarHBondContact N-O 3.42Å; R85-T92 PolarHBondContact O-N 3.38Å; T92-I94 HydrophobicContact CG2-CG1 4.22Å
93V98.4Very high95.7Very high0 Ų035.8 Ų35.80%018%0.178CC..EExtended strand (participates in β ladder)trans-115.6134167-1780000108.3F16 W32 N33 L34 N35 F82 R83 L127 I131F16-V93 HydrophobicContact CE2-CG2 4.19Å; F16-V93 HydrophobicContact CZ-CG2 4.33Å; W32-V93 HydrophobicContact CE3-CG2 3.78Å; W32-V93 HydrophobicContact CZ3-CG2 3.78Å; N33-V93 PolarHBondContact O-N 2.81Å; L34-V93 HydrophobicContact CD1-CB 3.9Å; L34-V93 HydrophobicContact CD1-CG1 3.53Å; N35-V93 PolarHBondContact N-O 2.64Å; F82-V93 HydrophobicContact CB-CG1 4.47Å; F82-V93 HydrophobicContact CD1-CG1 3.93Å; R83-V93 CarbonylContact O-C 3.53Å; R83-V93 WeakPolarHBondContact O-CA 3.5Å; V93-L127 HydrophobicContact CG1-CD2 3.76Å; V93-L127 HydrophobicContact CG2-CD2 4.07Å; V93-I131 HydrophobicContact CG2-CD1 4.1Å
94I98.3Very high95.4Very high33 Ų3343.7 Ų43.717%0.16921%0.208CC..EExtended strand (participates in β ladder)trans-119.7119.8171.3-52.5176.3000107N35 N37 Q40 W53 F82 R83 T92N35-I94 CarbonylContact O-C 3.42Å; N35-I94 WeakPolarHBondContact O-CA 3.42Å; N37-I94 HydrophobicContact CB-CG2 3.48Å; N37-I94 VanDerWaalsContact CB-CG2 3.48Å; Q40-I94 VanDerWaalsContact NE2-C 3.32Å; Q40-I94 PolarHBondContact NE2-O 3.12Å; W53-I94 HydrophobicContact CH2-CD1 3.65Å; W53-I94 HydrophobicContact CH2-CG1 4.16Å; W53-I94 HydrophobicContact CZ2-CD1 4.32Å; W53-I94 HydrophobicContact CZ3-CD1 4.21Å; W53-I94 HydrophobicContact CZ3-CG1 4.43Å; F82-I94 WeakPolarHBondContact CA-O 3.43Å; R83-I94 HydrophobicContact CB-CB 4.39Å; R83-I94 PolarHBondContact N-O 3.22Å; R83-I94 PolarHBondContact O-N 3.05Å; T92-I94 HydrophobicContact CG2-CG1 4.22Å
95M97.6Very high95.1Very high0 Ų045.7 Ų45.70%022%0.221CC..EExtended strand (participates in β ladder)trans-112.6146.4-174.7-172.7-178.164.200112.2W7 W12 L34 N35 F36 N37 Q40 V80 L81 F82W7-M95 HydrophobicContact CH2-CE 3.51Å; W7-M95 HydrophobicContact CZ2-CE 4.01Å; W12-M95 HydrophobicContact CB-CE 4.05Å; W12-M95 HydrophobicContact CD2-CE 3.74Å; W12-M95 HydrophobicContact CD2-SD 3.94Å; W12-M95 HydrophobicContact CE3-CE 3.81Å; W12-M95 HydrophobicContact CE3-SD 3.43Å; W12-M95 HydrophobicContact CG-CE 3.88Å; W12-M95 HydrophobicContact CH2-SD 4.28Å; W12-M95 HydrophobicContact CZ3-SD 3.64Å; L34-M95 HydrophobicContact CD1-CB 3.84Å; N35-M95 PolarHBondContact O-N 3.36Å; F36-M95 WeakPolarHBondContact CA-O 3.44Å; F36-M95 HydrophobicContact CD1-CE 3.59Å; F36-M95 HydrophobicContact CE1-CE 3.1Å; F36-M95 HydrophobicContact CZ-CE 4.06Å; N37-M95 PolarHBondContact N-O 3.42Å; Q40-M95 PolarHBondContact NE2-O 3.39Å; V80-M95 HydrophobicContact CG1-CG 3.43Å; V80-M95 VanDerWaalsContact CG1-CG 3.43Å; V80-M95 HydrophobicContact CG1-SD 3.48Å; V80-M95 WeakPolarHBondContact CG1-SD 3.4Å; L81-M95 CarbonylContact O-C 3.52Å; L81-M95 VanDerWaalsContact O-CA 3.25Å; L81-M95 WeakPolarHBondContact O-CA 3.34Å; F82-M95 HydrophobicContact CD1-CB 4.03Å; F82-M95 HydrophobicContact CD1-CG 3.75Å; F82-M95 HydrophobicContact CD1-SD 4.08Å; F82-M95 HydrophobicContact CE1-CB 4.22Å; F82-M95 HydrophobicContact CE1-CG 3.59Å; F82-M95 HydrophobicContact CE1-SD 3.32Å; F82-M95 WeakPolarHBondContact CE1-SD 3.42Å; F82-M95 HydrophobicContact CZ-CG 4.31Å; F82-M95 HydrophobicContact CZ-SD 3.89Å
96R97.2Very high94.2Very high20 Ų2050 Ų508%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-137.5116170.2177.4176.5178175.74.6110.1N37 Y38 T39 Q40 L81 F98 E163N37-R96 WeakPolarHBondContact O-CB 3.44Å; Y38-R96 PolarHBondContact O-NE 2.74Å; Y38-R96 VanDerWaalsContact O-NE 3.12Å; Y38-R96 PolarHBondContact O-NH2 2.76Å; T39-R96 PolarHBondContact O-NH1 2.82Å; Q40-R96 HydrophobicContact CG-CB 3.73Å; Q40-R96 VanDerWaalsContact NE2-N 3.12Å; Q40-R96 WeakPolarHBondContact O-CD 3.42Å; Q40-R96 PolarHBondContact O-NH1 2.84Å; L81-R96 PolarHBondContact N-O 2.9Å; L81-R96 PolarHBondContact O-N 2.83Å; R96-F98 HydrophobicContact CB-CE2 4.4Å; R96-F98 HydrophobicContact CG-CD2 4.36Å; R96-F98 HydrophobicContact CG-CE2 4Å; R96-F98 HydrophobicContact CG-CZ 4.21Å; R96-E163 IonicContact CZ-OE1 3.74Å; R96-E163 IonicContact NH2-OE1 2.65Å; R96-E163 PolarHBondContact NH2-OE1 2.84Å
97P96.3Very high93.4Very high1 Ų151.6 Ų51.61%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-74.5144160.433.6-35.4000109.9W7 Y38 L112 P113W7-P97 HydrophobicContact CD2-CB 4.47Å; W7-P97 HydrophobicContact CD2-CG 3.82Å; W7-P97 HydrophobicContact CE3-CB 4.02Å; W7-P97 HydrophobicContact CE3-CG 3.85Å; W7-P97 HydrophobicContact CH2-CB 4.15Å; W7-P97 HydrophobicContact CH2-CG 3.73Å; W7-P97 HydrophobicContact CZ2-CG 3.66Å; W7-P97 HydrophobicContact CZ3-CB 3.82Å; W7-P97 HydrophobicContact CZ3-CG 3.78Å; Y38-P97 HydrophobicContact CE1-CG 4.15Å; P97-L112 HydrophobicContact CG-CD2 4.2Å; P97-P113 HydrophobicContact CB-CG 4.23Å
98F95.6Very high92.7Very high3 Ų348.4 Ų48.41%0.01326%0.258CS..  trans-102.2139.6172.4-70.9-98.2000110.5L79 L81 R96 P113 E163 A164 L167 I169L79-F98 HydrophobicContact CB-CB 4.23Å; L79-F98 HydrophobicContact CB-CD2 4.08Å; L79-F98 HydrophobicContact CB-CG 4.42Å; L79-F98 HydrophobicContact CD2-CD2 3.67Å; L79-F98 HydrophobicContact CD2-CE2 3.83Å; L79-F98 HydrophobicContact CD2-CG 4.25Å; L79-F98 HydrophobicContact CG-CD2 4.1Å; L79-F98 PolarHBondContact O-N 2.84Å; L81-F98 HydrophobicContact CB-CE2 3.6Å; L81-F98 HydrophobicContact CB-CZ 4.39Å; L81-F98 HydrophobicContact CD2-CE2 4.21Å; L81-F98 HydrophobicContact CD2-CZ 4.19Å; R96-F98 HydrophobicContact CB-CE2 4.4Å; R96-F98 HydrophobicContact CG-CD2 4.36Å; R96-F98 HydrophobicContact CG-CE2 4Å; R96-F98 HydrophobicContact CG-CZ 4.21Å; F98-P113 WeakPolarHBondContact O-CD 3.16Å; F98-E163 WeakPolarHBondContact CA-OE2 3.38Å; F98-E163 HydrophobicContact CB-CB 4.36Å; F98-E163 HydrophobicContact CD1-CB 4.28Å; F98-E163 HydrophobicContact CD1-CG 3.97Å; F98-A164 HydrophobicContact CB-CB 3.99Å; F98-A164 HydrophobicContact CD1-CB 4Å; F98-A164 HydrophobicContact CG-CB 3.9Å; F98-L167 HydrophobicContact CD1-CD1 4.18Å; F98-L167 HydrophobicContact CE1-CD1 3.61Å; F98-I169 HydrophobicContact CE1-CD1 4.17Å; F98-I169 HydrophobicContact CZ-CD1 3.96Å
99G95.1Very high92.6Very high0 Ų048.1 Ų48.10%025%0.252CS..  trans-88.6175.2-178.300000114.3D111 E163G99-D111 CarbonylContact C-O 3.55Å; G99-D111 WeakPolarHBondContact CA-O 3.26Å; G99-E163 PolarHBondContact N-OE2 3.31Å; G99-E163 VanDerWaalsContact O-CB 3.26Å; G99-E163 WeakPolarHBondContact O-CB 3.43Å; G99-E163 PolarHBondContact O-N 3.48Å; G99-E163 VanDerWaalsContact O-N 3.12Å
100Q94.4Very high92.8Very high9 Ų950.2 Ų50.24%0.04225%0.248CC..BIsolated β-bridgetrans-129.8141.9170.8-69-176.12.900110.5F64 W73 S75 R77 D111 L161F64-Q100 HydrophobicContact CD1-CB 4Å; F64-Q100 HydrophobicContact CD1-CG 4.45Å; F64-Q100 HydrophobicContact CE1-CB 3.76Å; F64-Q100 HydrophobicContact CE1-CG 3.77Å; F64-Q100 HydrophobicContact CE2-CG 4.23Å; F64-Q100 HydrophobicContact CG-CB 4.49Å; F64-Q100 HydrophobicContact CZ-CB 4.08Å; F64-Q100 HydrophobicContact CZ-CG 3.63Å; W73-Q100 HydrophobicContact CZ2-CB 4.17Å; S75-Q100 PolarHBondContact OG-NE2 2.07Å; R77-Q100 PolarHBondContact O-NE2 3.08Å; Q100-D111 PolarHBondContact N-O 2.9Å; Q100-D111 PolarHBondContact O-N 2.76Å; Q100-L161 CarbonylContact C-O 3.47Å; Q100-L161 WeakPolarHBondContact CA-O 3.29Å
101A95.1Very high92.8Very high10 Ų1043.4 Ų43.48%0.08322%0.224CC..  trans-78.2146.6177.500000110.5S103 E109 Y110 L161A101-S103 PolarHBondContact O-N 3.49Å; A101-E109 WeakPolarHBondContact CA-O 3.47Å; A101-Y110 HydrophobicContact CB-CD1 4.06Å; A101-Y110 HydrophobicContact CB-CE1 4.1Å; A101-L161 HydrophobicContact CB-CB 4.36Å; A101-L161 HydrophobicContact CB-CD2 4.13Å; A101-L161 PolarHBondContact N-O 2.8Å
102C93.8Very high92.8Very high0 Ų046 Ų460%024%0.238CC..  trans-72.6120.9177.6-172.70000111C66 C69 W73 R104 C105 Q106C66-C102 HydrophobicContact CB-CB 3.89Å; C69-C102 VanDerWaalsContact SG-SG 3.62Å; W73-C102 HydrophobicContact CH2-CB 4.04Å; W73-C102 HydrophobicContact CZ3-CB 4.27Å; C102-R104 PolarHBondContact O-N 3.24Å; C102-C105 HydrophobicContact CB-CB 4.16Å; C102-C105 PolarHBondContact O-N 2.87Å; C102-Q106 PolarHBondContact O-N 2.87Å
103S91.8Very high92.6Very high39 Ų3944.3 Ų44.327%0.27323%0.227SC..THydrogen-bonded Turntrans-60.3-16.2175.947.70000115K71 A101K71-S103 PolarHBondContact NZ-OG 3.36Å; A101-S103 PolarHBondContact O-N 3.49Å
104R92.5Very high92.5Very high187 Ų18744.4 Ų44.471%0.70623%0.228SC*.THydrogen-bonded Turntrans-90.7-41.9177.3-176.6179.3178.4-179.50.6112.7K71 C102K71-R104 HydrophobicContact CD-CB 4.13Å; C102-R104 PolarHBondContact O-N 3.24Å
105C91.1Very high92.3Very high45 Ų4543 Ų4330%0.30422%0.221SC..THydrogen-bonded Turntrans-85.9-41.8-175.2-57.40000111.7C66 C102 D107C66-C105 VanDerWaalsContact SG-SG 3.64Å; C102-C105 HydrophobicContact CB-CB 4.16Å; C102-C105 PolarHBondContact O-N 2.87Å; C105-D107 HydrophobicContact CB-CB 4.17Å; C105-D107 WeakPolarHBondContact CB-OD2 3.45Å; C105-D107 PolarHBondContact O-N 2.99Å; C105-D107 VanDerWaalsContact O-N 3.11Å
106Q79.1Confident92.1Very high145 Ų14545.4 Ų45.468%0.67823%0.233SC*.  trans44.940.1-172.2-62.4-177.2-15.100112.2C102 G108C102-Q106 PolarHBondContact O-N 2.87Å; Q106-G108 PolarHBondContact O-N 2.83Å
107D78.8Confident91.9Very high71 Ų7149.7 Ų49.738%0.3825%0.249SC..  trans-76.6-2-175.442.817.9000113.3C105 E109C105-D107 HydrophobicContact CB-CB 4.17Å; C105-D107 WeakPolarHBondContact CB-OD2 3.45Å; C105-D107 PolarHBondContact O-N 2.99Å; C105-D107 VanDerWaalsContact O-N 3.11Å; D107-E109 PolarHBondContact O-N 2.96Å; D107-E109 PolarHBondContact OD1-N 3.48Å
108G79.4Confident91.7Very high60 Ų6057.4 Ų57.462%0.61928%0.283SS*.SBendtrans80.21.4-178.200000113.8Q106Q106-G108 PolarHBondContact O-N 2.83Å
109E90.2Very high91.6Very high139 Ų13958 Ų5865%0.6529%0.286SS*.  trans-94.4153174.7-63.1-166161.600111.3A101 D107A101-E109 WeakPolarHBondContact CA-O 3.47Å; D107-E109 PolarHBondContact O-N 2.96Å; D107-E109 PolarHBondContact OD1-N 3.48Å
110Y94.6Very high91.6Very high85 Ų8558 Ų5833%0.33329%0.286SS..  trans-112.1125.5176.4-61.3-75.4000110.3A101 E163 H166A101-Y110 HydrophobicContact CB-CD1 4.06Å; A101-Y110 HydrophobicContact CB-CE1 4.1Å; Y110-E163 HydrophobicContact CD1-CB 3.68Å; Y110-E163 HydrophobicContact CD1-CG 4.37Å; Y110-E163 HydrophobicContact CD2-CB 4.08Å; Y110-E163 HydrophobicContact CD2-CG 3.85Å; Y110-E163 HydrophobicContact CE1-CB 3.76Å; Y110-E163 HydrophobicContact CE1-CG 4.39Å; Y110-E163 HydrophobicContact CE2-CB 4.16Å; Y110-E163 HydrophobicContact CE2-CG 3.88Å; Y110-E163 HydrophobicContact CG-CB 3.85Å; Y110-E163 HydrophobicContact CG-CG 4.11Å; Y110-H166 AromaticContact CZ-ND1 3.78Å; Y110-H166 PolarHBondContact OH-ND1 3.28Å
111D95.4Very high91.6Very high28 Ų2859.4 Ų59.415%0.1529%0.293CS..BIsolated β-bridgetrans-84.8134.2171.1-62.9-79.1000109.4F64 C66 G67 W73 G99 Q100F64-D111 WeakPolarHBondContact CD1-O 3.39Å; F64-D111 WeakPolarHBondContact CE1-O 3.45Å; C66-D111 VanDerWaalsContact CA-OD2 3.31Å; C66-D111 WeakPolarHBondContact CA-OD2 3.28Å; G67-D111 PolarHBondContact N-OD1 3.38Å; W73-D111 HydrophobicContact CH2-CB 4.2Å; W73-D111 WeakPolarHBondContact CH2-OD2 3.42Å; G99-D111 CarbonylContact C-O 3.55Å; G99-D111 WeakPolarHBondContact CA-O 3.26Å; Q100-D111 PolarHBondContact N-O 2.9Å; Q100-D111 PolarHBondContact O-N 2.76Å
112L96.1Very high91.6Very high56 Ų5662.1 Ų62.129%0.29330%0.304SS..PPolyproline II helixtrans-77.2147178.6-67179.2000111.9W7 Y38 P97W7-L112 HydrophobicContact CB-CB 3.56Å; W7-L112 HydrophobicContact CB-CD1 4.09Å; W7-L112 HydrophobicContact CB-CG 4.5Å; W7-L112 HydrophobicContact CG-CB 4.05Å; W7-L112 HydrophobicContact CG-CD1 3.8Å; Y38-L112 HydrophobicContact CD1-CD1 4.46Å; Y38-L112 HydrophobicContact CE1-CD1 4.21Å; P97-L112 HydrophobicContact CG-CD2 4.2Å
113P94.9Very high91.7Very high0 Ų062.1 Ų62.10%030%0.304CS..PPolyproline II helixtrans-73.3141.8179.625.9-31.3000112.9W7 F64 A78 P97 F98 F115W7-P113 WeakPolarHBondContact CA-O 3.44Å; F64-P113 HydrophobicContact CD1-CB 4.27Å; F64-P113 HydrophobicContact CE1-CB 3.66Å; F64-P113 HydrophobicContact CE1-CG 4.09Å; F64-P113 HydrophobicContact CE2-CB 4.15Å; F64-P113 HydrophobicContact CZ-CB 3.6Å; F64-P113 HydrophobicContact CZ-CG 4.17Å; A78-P113 HydrophobicContact CB-CB 3.99Å; A78-P113 HydrophobicContact CB-CG 4.16Å; P97-P113 HydrophobicContact CB-CG 4.23Å; F98-P113 WeakPolarHBondContact O-CD 3.16Å; P113-F115 HydrophobicContact CB-CD2 4.44Å; P113-F115 HydrophobicContact CB-CE1 4.38Å; P113-F115 HydrophobicContact CB-CE2 3.79Å; P113-F115 HydrophobicContact CB-CZ 3.75Å; P113-F115 HydrophobicContact CG-CD2 4.5Å; P113-F115 HydrophobicContact CG-CE1 4.48Å; P113-F115 HydrophobicContact CG-CE2 3.47Å; P113-F115 VanDerWaalsContact CG-CE2 3.47Å; P113-F115 HydrophobicContact CG-CZ 3.45Å; P113-F115 VanDerWaalsContact CG-CZ 3.45Å
114G95.1Very high91.9Very high1 Ų160.3 Ų60.31%0.0129%0.291CS..BIsolated β-bridgetrans-89.5141.3155.600000111.5G6 K63G6-G114 VanDerWaalsContact O-CA 3.24Å; G6-G114 WeakPolarHBondContact O-CA 3.22Å; K63-G114 PolarHBondContact N-O 3.08Å; K63-G114 PolarHBondContact O-N 3.27Å
115F93.8Very high92.1Very high5 Ų554.2 Ų54.22%0.02227%0.272CS..  trans-119.9151.1-179.1-61.5-87.2000110.6P4 W7 W12 A60 F61 A78 V80 P113 V120P4-F115 WeakPolarHBondContact CD-O 3.21Å; W7-F115 HydrophobicContact CE3-CD2 4.18Å; W7-F115 AromaticContact CE3-CE2 4Å; W7-F115 HydrophobicContact CE3-CE2 4Å; W7-F115 AromaticContact CZ3-CD2 3.96Å; W7-F115 HydrophobicContact CZ3-CD2 3.96Å; W7-F115 AromaticContact CZ3-CE2 3.73Å; W7-F115 HydrophobicContact CZ3-CE2 3.73Å; W12-F115 HydrophobicContact CZ2-CB 4.5Å; W12-F115 HydrophobicContact CZ2-CD1 4.4Å; W12-F115 AromaticContact CZ2-CD2 3.68Å; W12-F115 HydrophobicContact CZ2-CD2 3.68Å; W12-F115 AromaticContact CZ2-CE2 3.86Å; W12-F115 HydrophobicContact CZ2-CE2 3.86Å; W12-F115 AromaticContact CZ2-CG 3.95Å; W12-F115 HydrophobicContact CZ2-CG 3.95Å; W12-F115 HydrophobicContact CZ2-CZ 4.32Å; W12-F115 AromaticContact NE1-CD2 3.72Å; A60-F115 HydrophobicContact CB-CD1 4.23Å; A60-F115 HydrophobicContact CB-CE1 3.92Å; F61-F115 WeakPolarHBondContact O-CD1 3.26Å; A78-F115 HydrophobicContact CB-CE1 3.89Å; A78-F115 HydrophobicContact CB-CZ 4.02Å; V80-F115 HydrophobicContact CG2-CE1 4.21Å; V80-F115 HydrophobicContact CG2-CE2 4.22Å; V80-F115 HydrophobicContact CG2-CZ 3.6Å; P113-F115 HydrophobicContact CB-CD2 4.44Å; P113-F115 HydrophobicContact CB-CE1 4.38Å; P113-F115 HydrophobicContact CB-CE2 3.79Å; P113-F115 HydrophobicContact CB-CZ 3.75Å; P113-F115 HydrophobicContact CG-CD2 4.5Å; P113-F115 HydrophobicContact CG-CE1 4.48Å; P113-F115 HydrophobicContact CG-CE2 3.47Å; P113-F115 VanDerWaalsContact CG-CE2 3.47Å; P113-F115 HydrophobicContact CG-CZ 3.45Å; P113-F115 VanDerWaalsContact CG-CZ 3.45Å; F115-V120 HydrophobicContact CB-CG2 3.58Å; F115-V120 HydrophobicContact CG-CG2 4.38Å
116N93.1Very high92.3Very high50 Ų5054.5 Ų54.527%0.26727%0.267SS..  trans-85.8164.3164.258.868.9000110.6T3 K118 D119 V120T3-N116 HydrophobicContact CG2-CB 3.49Å; T3-N116 VanDerWaalsContact CG2-CB 3.49Å; T3-N116 WeakPolarHBondContact CG2-ND2 3.18Å; N116-K118 VanDerWaalsContact C-N 3.34Å; N116-K118 PolarHBondContact O-N 3.11Å; N116-K118 WeakPolarHBondContact OD1-CB 3.49Å; N116-K118 PolarHBondContact OD1-N 2.67Å; N116-K118 VanDerWaalsContact OD1-N 3.1Å; N116-D119 VanDerWaalsContact CG-OD2 3.24Å; N116-D119 PolarHBondContact ND2-OD2 2.98Å; N116-D119 PolarHBondContact O-N 3.1Å; N116-D119 PolarHBondContact OD1-N 3.36Å; N116-D119 PolarHBondContact OD1-OD2 3.5Å; N116-V120 WeakPolarHBondContact O-CG2 3.44Å; N116-V120 PolarHBondContact O-N 2.83Å; N116-V120 VanDerWaalsContact O-N 3.11Å
117R94.1Very high93.1Very high109 Ų10947.6 Ų47.641%0.41124%0.235SC..Hα-helixtrans-50-49.7178.2-159.6-171.1-172.3-124.26.6113.2F11 I15 E18 D119 V120 E121F11-R117 HydrophobicContact CZ-CB 3.87Å; F11-R117 HydrophobicContact CZ-CG 4.15Å; I15-R117 HydrophobicContact CD1-CB 4.47Å; I15-R117 HydrophobicContact CD1-CG 3.7Å; I15-R117 HydrophobicContact CG1-CG 4.39Å; E18-R117 IonicContact OE1-CZ 2.61Å; E18-R117 IonicContact OE1-NH2 3.03Å; E18-R117 PolarHBondContact OE1-NH2 2.88Å; E18-R117 IonicContact OE2-CZ 2.95Å; E18-R117 IonicContact OE2-NH2 3.85Å; E18-R117 PolarHBondContact OE2-NH2 2.81Å; R117-D119 VanDerWaalsContact C-N 3.35Å; R117-D119 PolarHBondContact O-N 3Å; R117-V120 WeakPolarHBondContact O-CB 3.43Å; R117-V120 PolarHBondContact O-N 3.1Å; R117-V120 VanDerWaalsContact O-N 3.08Å; R117-E121 WeakPolarHBondContact CD-OE1 3.48Å; R117-E121 HydrophobicContact CG-CG 4.32Å; R117-E121 VanDerWaalsContact CG-OE1 3.26Å; R117-E121 WeakPolarHBondContact CG-OE1 3.42Å; R117-E121 IonicContact CZ-OE1 2.79Å; R117-E121 IonicContact NE-OE1 3.83Å; R117-E121 PolarHBondContact NE-OE1 2.88Å; R117-E121 VanDerWaalsContact NE-OE1 3.13Å; R117-E121 IonicContact NH1-OE1 3.08Å; R117-E121 PolarHBondContact NH1-OE1 3.32Å; R117-E121 IonicContact NH2-OE1 2.64Å; R117-E121 WeakPolarHBondContact O-CG 3.11Å; R117-E121 PolarHBondContact O-N 3.25Å
118K92.8Very high94Very high163 Ų16344.2 Ų44.271%0.70922%0.217SC*.Hα-helixtrans-60.6-41.6-176.9-64.2-171.1176.7-168.10112.8N116 V120 H122N116-K118 VanDerWaalsContact C-N 3.34Å; N116-K118 PolarHBondContact O-N 3.11Å; N116-K118 WeakPolarHBondContact OD1-CB 3.49Å; N116-K118 PolarHBondContact OD1-N 2.67Å; N116-K118 VanDerWaalsContact OD1-N 3.1Å; K118-V120 VanDerWaalsContact C-N 3.34Å; K118-H122 VanDerWaalsContact O-CB 3.28Å; K118-H122 WeakPolarHBondContact O-CB 3.44Å; K118-H122 PolarHBondContact O-N 2.99Å
119D92.1Very high94.7Very high15 Ų1542.5 Ų42.58%0.0820%0.195CC..Hα-helixtrans-69.6-33.9177.6-67.6-43.9000111.2A60 N116 R117 A123A60-D119 HydrophobicContact CB-CB 4.44Å; N116-D119 VanDerWaalsContact CG-OD2 3.24Å; N116-D119 PolarHBondContact ND2-OD2 2.98Å; N116-D119 PolarHBondContact O-N 3.1Å; N116-D119 PolarHBondContact OD1-N 3.36Å; N116-D119 PolarHBondContact OD1-OD2 3.5Å; R117-D119 VanDerWaalsContact C-N 3.35Å; R117-D119 PolarHBondContact O-N 3Å; D119-A123 WeakPolarHBondContact O-CB 3.42Å; D119-A123 PolarHBondContact O-N 3.45Å; D119-A123 VanDerWaalsContact O-N 3.11Å
120V95.1Very high94.9Very high0 Ų038.8 Ų38.80%018%0.177CC..Hα-helixtrans-68.3-51.4174.1176.60000111.4F11 W12 I15 F115 N116 R117 K118 H122 A123 L124F11-V120 HydrophobicContact CD1-CG2 4.19Å; F11-V120 HydrophobicContact CE1-CG2 3.94Å; W12-V120 HydrophobicContact CD2-CG1 3.67Å; W12-V120 HydrophobicContact CD2-CG2 4.18Å; W12-V120 HydrophobicContact CE3-CG1 3.63Å; W12-V120 HydrophobicContact CG-CG1 4.2Å; W12-V120 HydrophobicContact CH2-CB 4.5Å; W12-V120 HydrophobicContact CH2-CG1 4.27Å; W12-V120 HydrophobicContact CH2-CG2 4.3Å; W12-V120 HydrophobicContact CZ2-CB 4.4Å; W12-V120 HydrophobicContact CZ2-CG1 4.32Å; W12-V120 HydrophobicContact CZ2-CG2 3.73Å; W12-V120 HydrophobicContact CZ3-CG1 3.93Å; I15-V120 HydrophobicContact CB-CG1 4.15Å; I15-V120 HydrophobicContact CD1-CB 3.81Å; I15-V120 HydrophobicContact CD1-CG1 3.59Å; I15-V120 HydrophobicContact CD1-CG2 4.46Å; I15-V120 HydrophobicContact CG1-CG1 4.46Å; I15-V120 HydrophobicContact CG2-CG1 4.16Å; F115-V120 HydrophobicContact CB-CG2 3.58Å; F115-V120 HydrophobicContact CG-CG2 4.38Å; N116-V120 WeakPolarHBondContact O-CG2 3.44Å; N116-V120 PolarHBondContact O-N 2.83Å; N116-V120 VanDerWaalsContact O-N 3.11Å; R117-V120 WeakPolarHBondContact O-CB 3.43Å; R117-V120 PolarHBondContact O-N 3.1Å; R117-V120 VanDerWaalsContact O-N 3.08Å; K118-V120 VanDerWaalsContact C-N 3.34Å; V120-H122 VanDerWaalsContact C-N 3.29Å; V120-H122 PolarHBondContact O-N 2.71Å; V120-A123 PolarHBondContact O-N 2.92Å; V120-A123 VanDerWaalsContact O-N 3.17Å; V120-L124 HydrophobicContact CG1-CD1 3.84Å; V120-L124 HydrophobicContact CG1-CG 4.31Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 2.87Å
121E95.6Very high95Very high40 Ų4034.8 Ų34.819%0.18716%0.161CC..Hα-helixtrans-53.6-48.2175.6-73.4165.2-176.300110.8I15 R117 A123 L124 L125I15-E121 HydrophobicContact CG2-CG 3.77Å; R117-E121 WeakPolarHBondContact CD-OE1 3.48Å; R117-E121 HydrophobicContact CG-CG 4.32Å; R117-E121 VanDerWaalsContact CG-OE1 3.26Å; R117-E121 WeakPolarHBondContact CG-OE1 3.42Å; R117-E121 IonicContact CZ-OE1 2.79Å; R117-E121 IonicContact NE-OE1 3.83Å; R117-E121 PolarHBondContact NE-OE1 2.88Å; R117-E121 VanDerWaalsContact NE-OE1 3.13Å; R117-E121 IonicContact NH1-OE1 3.08Å; R117-E121 PolarHBondContact NH1-OE1 3.32Å; R117-E121 IonicContact NH2-OE1 2.64Å; R117-E121 WeakPolarHBondContact O-CG 3.11Å; R117-E121 PolarHBondContact O-N 3.25Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-A123 PolarHBondContact O-N 3.06Å; E121-L124 PolarHBondContact O-N 2.84Å; E121-L125 WeakPolarHBondContact O-CB 3.44Å; E121-L125 VanDerWaalsContact O-CG 3.27Å; E121-L125 WeakPolarHBondContact O-CG 3.31Å; E121-L125 PolarHBondContact O-N 2.85Å
122H94.3Very high95Very high67 Ų6736 Ų3631%0.3116%0.164SC..Hα-helixtrans-61.9-42.6-179.8-170.4-163.8000112K118 V120 R126K118-H122 VanDerWaalsContact O-CB 3.28Å; K118-H122 WeakPolarHBondContact O-CB 3.44Å; K118-H122 PolarHBondContact O-N 2.99Å; V120-H122 VanDerWaalsContact C-N 3.29Å; V120-H122 PolarHBondContact O-N 2.71Å; H122-R126 WeakPolarHBondContact O-CB 2.94Å; H122-R126 WeakPolarHBondContact O-CG 3.5Å; H122-R126 PolarHBondContact O-N 3.13Å
123A95.1Very high94.8Very high0 Ų037.1 Ų37.10%017%0.166CC..Hα-helixtrans-62.4-42.9176.600000112W12 H58 F82 D119 V120 E121 L127W12-A123 HydrophobicContact CH2-CB 3.86Å; W12-A123 HydrophobicContact CZ3-CB 4.06Å; H58-A123 VanDerWaalsContact CD2-CB 3.42Å; H58-A123 WeakPolarHBondContact CD2-CB 3.38Å; F82-A123 HydrophobicContact CZ-CB 4.42Å; D119-A123 WeakPolarHBondContact O-CB 3.42Å; D119-A123 PolarHBondContact O-N 3.45Å; D119-A123 VanDerWaalsContact O-N 3.11Å; V120-A123 PolarHBondContact O-N 2.92Å; V120-A123 VanDerWaalsContact O-N 3.17Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-A123 PolarHBondContact O-N 3.06Å; A123-L127 PolarHBondContact O-N 3.04Å
124L97.4Very high94.8Very high0 Ų040.2 Ų40.20%018%0.182CC..Hα-helixtrans-71.6-43.4-179.4-69.4179.1000112.6W12 I15 F16 L19 F82 V120 E121 R126 L127 F128W12-L124 HydrophobicContact CE3-CD1 4.34Å; W12-L124 HydrophobicContact CE3-CD2 4Å; W12-L124 HydrophobicContact CE3-CG 4.13Å; W12-L124 HydrophobicContact CZ3-CD2 4.02Å; W12-L124 HydrophobicContact CZ3-CG 4.07Å; I15-L124 HydrophobicContact CB-CD1 4.22Å; I15-L124 HydrophobicContact CG2-CD1 3.91Å; F16-L124 HydrophobicContact CB-CD1 4.01Å; F16-L124 HydrophobicContact CD2-CD2 3.94Å; L19-L124 HydrophobicContact CD1-CB 3.67Å; L19-L124 HydrophobicContact CD1-CD1 4.16Å; F82-L124 HydrophobicContact CE1-CD2 4.17Å; V120-L124 HydrophobicContact CG1-CD1 3.84Å; V120-L124 HydrophobicContact CG1-CG 4.31Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 2.87Å; E121-L124 PolarHBondContact O-N 2.84Å; L124-R126 VanDerWaalsContact C-N 3.26Å; L124-R126 PolarHBondContact O-N 2.81Å; L124-L127 HydrophobicContact CD2-CD2 4.33Å; L124-L127 CarbonylContact O-C 3.55Å; L124-L127 WeakPolarHBondContact O-CA 3.43Å; L124-L127 VanDerWaalsContact O-CB 3.31Å; L124-L127 WeakPolarHBondContact O-CB 3.36Å; L124-L127 PolarHBondContact O-N 3.48Å; L124-F128 WeakPolarHBondContact O-CG 3.28Å; L124-F128 PolarHBondContact O-N 3.4Å
125L96.1Very high94.7Very high60 Ų6041.4 Ų41.431%0.31419%0.19SC..Hα-helixtrans-59.8-38.9173.6-72.2171.9000111.5L19 E25 E121 F128 S129L19-L125 HydrophobicContact CD1-CD2 4.4Å; L19-L125 HydrophobicContact CD1-CG 4.27Å; L19-L125 HydrophobicContact CD2-CD2 4.15Å; L19-L125 HydrophobicContact CD2-CG 4.48Å; E25-L125 VanDerWaalsContact CD-CD2 3.43Å; E25-L125 HydrophobicContact CG-CD2 3.84Å; E121-L125 WeakPolarHBondContact O-CB 3.44Å; E121-L125 VanDerWaalsContact O-CG 3.27Å; E121-L125 WeakPolarHBondContact O-CG 3.31Å; E121-L125 PolarHBondContact O-N 2.85Å; L125-F128 PolarHBondContact O-N 3.48Å; L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-S129 PolarHBondContact O-N 3.07Å
126R95.1Very high94.7Very high51 Ų5143.9 Ų43.919%0.19220%0.2CC..Hα-helixtrans-66.1-39.8173.7-69.8-72.1-179.9-179.1-2.3111.9Y56 H122 L124 K130 A144 T147Y56-R126 HydrophobicContact CE1-CB 4.2Å; Y56-R126 WeakPolarHBondContact OH-CB 3.45Å; H122-R126 WeakPolarHBondContact O-CB 2.94Å; H122-R126 WeakPolarHBondContact O-CG 3.5Å; H122-R126 PolarHBondContact O-N 3.13Å; L124-R126 VanDerWaalsContact C-N 3.26Å; L124-R126 PolarHBondContact O-N 2.81Å; R126-K130 WeakPolarHBondContact O-CG 3.16Å; R126-K130 PolarHBondContact O-N 3.35Å; R126-K130 VanDerWaalsContact O-N 3.14Å; R126-A144 PolarHBondContact NH1-O 3.42Å; R126-A144 PolarHBondContact NH2-O 3.05Å; R126-T147 PolarHBondContact NH2-OG1 2.86Å
127L96.8Very high94.5Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-60.9-46.9171.8170.168.4000111.4Y56 F82 Y84 V93 A123 L124 S129 K130 I131Y56-L127 HydrophobicContact CD1-CB 4.29Å; Y56-L127 HydrophobicContact CD1-CD1 4.19Å; Y56-L127 HydrophobicContact CE1-CB 4.4Å; F82-L127 HydrophobicContact CB-CD1 3.72Å; F82-L127 HydrophobicContact CD1-CD1 4.32Å; F82-L127 HydrophobicContact CD1-CD2 3.61Å; F82-L127 HydrophobicContact CD1-CG 4.43Å; F82-L127 HydrophobicContact CE1-CD2 3.91Å; F82-L127 HydrophobicContact CG-CD1 3.96Å; F82-L127 HydrophobicContact CG-CD2 4.1Å; F82-L127 HydrophobicContact CG-CG 4.45Å; Y84-L127 HydrophobicContact CD1-CD1 3.81Å; Y84-L127 HydrophobicContact CE1-CD1 4.21Å; Y84-L127 HydrophobicContact CG-CD1 4.24Å; V93-L127 HydrophobicContact CG1-CD2 3.76Å; V93-L127 HydrophobicContact CG2-CD2 4.07Å; A123-L127 PolarHBondContact O-N 3.04Å; L124-L127 HydrophobicContact CD2-CD2 4.33Å; L124-L127 CarbonylContact O-C 3.55Å; L124-L127 WeakPolarHBondContact O-CA 3.43Å; L124-L127 VanDerWaalsContact O-CB 3.31Å; L124-L127 WeakPolarHBondContact O-CB 3.36Å; L124-L127 PolarHBondContact O-N 3.48Å; L127-S129 PolarHBondContact O-N 2.99Å; L127-K130 CarbonylContact O-C 3.55Å; L127-K130 WeakPolarHBondContact O-CA 3.4Å; L127-K130 WeakPolarHBondContact O-CB 3.37Å; L127-K130 PolarHBondContact O-N 3.06Å; L127-I131 HydrophobicContact CD1-CD1 4.11Å; L127-I131 HydrophobicContact CD1-CG1 4.36Å; L127-I131 HydrophobicContact CD2-CD1 4.42Å; L127-I131 HydrophobicContact CG-CD1 3.91Å; L127-I131 PolarHBondContact O-N 3.04Å
128F96.4Very high94.2Very high0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-61.7-42.9179.7-69.5-13.4000111.8F16 L19 L20 E25 L26 L124 L125 K130 I131 R132F16-F128 AromaticContact CD2-CE1 3.91Å; F16-F128 HydrophobicContact CD2-CE1 3.91Å; F16-F128 AromaticContact CD2-CZ 3.84Å; F16-F128 HydrophobicContact CD2-CZ 3.84Å; F16-F128 AromaticContact CE2-CE1 3.38Å; F16-F128 HydrophobicContact CE2-CE1 3.38Å; F16-F128 AromaticContact CE2-CZ 3.71Å; F16-F128 HydrophobicContact CE2-CZ 3.71Å; F16-F128 HydrophobicContact CG-CZ 4.38Å; F16-F128 AromaticContact CZ-CE1 3.88Å; F16-F128 HydrophobicContact CZ-CE1 3.88Å; F16-F128 HydrophobicContact CZ-CZ 4.11Å; L19-F128 HydrophobicContact CB-CD2 4.39Å; L19-F128 HydrophobicContact CB-CE2 3.61Å; L19-F128 HydrophobicContact CB-CZ 4.49Å; L19-F128 HydrophobicContact CD1-CE2 4.39Å; L20-F128 HydrophobicContact CB-CZ 4.44Å; E25-F128 HydrophobicContact CB-CD2 3.37Å; E25-F128 HydrophobicContact CB-CE2 3.79Å; E25-F128 HydrophobicContact CB-CG 4.29Å; E25-F128 HydrophobicContact CG-CD2 3.96Å; E25-F128 HydrophobicContact CG-CE2 4.39Å; L26-F128 HydrophobicContact CD1-CD1 3.59Å; L26-F128 HydrophobicContact CD1-CE1 3.68Å; L26-F128 HydrophobicContact CD1-CG 4.16Å; L26-F128 HydrophobicContact CD1-CZ 4.33Å; L26-F128 HydrophobicContact CD2-CB 4.33Å; L26-F128 HydrophobicContact CG-CB 4.4Å; L26-F128 HydrophobicContact CG-CD1 4.1Å; L26-F128 HydrophobicContact CG-CE1 4.43Å; L26-F128 HydrophobicContact CG-CG 4.14Å; L124-F128 WeakPolarHBondContact O-CG 3.28Å; L124-F128 PolarHBondContact O-N 3.4Å; L125-F128 PolarHBondContact O-N 3.48Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 3.31Å; F128-I131 HydrophobicContact CD1-CD1 4.15Å; F128-I131 CarbonylContact O-C 3.57Å; F128-I131 WeakPolarHBondContact O-CA 3.28Å; F128-I131 WeakPolarHBondContact O-CB 3.32Å; F128-I131 PolarHBondContact O-N 3.34Å; F128-R132 WeakPolarHBondContact O-CG 3.27Å; F128-R132 PolarHBondContact O-N 3.4Å
129S94.4Very high93.4Very high23 Ų2344.3 Ų44.316%0.16122%0.224CC..Hα-helixtrans-54.9-42.8169.9173.10000112.4L125 L127 I131 R132 K133L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-S129 PolarHBondContact O-N 3.07Å; L127-S129 PolarHBondContact O-N 2.99Å; S129-I131 PolarHBondContact O-N 3.23Å; S129-R132 PolarHBondContact O-N 3.17Å; S129-K133 WeakPolarHBondContact O-CB 3.41Å; S129-K133 PolarHBondContact O-N 2.8Å; S129-K133 VanDerWaalsContact O-N 3.09Å
130K94.8Very high91.9Very high62 Ų6247.8 Ų47.827%0.2724%0.24SC..Hα-helixtrans-68.2-32.3174.6-64.7-57.5175.6-168.10113Y56 R126 L127 F128 N134 E140Y56-K130 HydrophobicContact CD1-CG 4.43Å; Y56-K130 HydrophobicContact CD2-CG 3.97Å; Y56-K130 HydrophobicContact CE2-CG 4.24Å; Y56-K130 HydrophobicContact CG-CG 4.09Å; R126-K130 WeakPolarHBondContact O-CG 3.16Å; R126-K130 PolarHBondContact O-N 3.35Å; R126-K130 VanDerWaalsContact O-N 3.14Å; L127-K130 CarbonylContact O-C 3.55Å; L127-K130 WeakPolarHBondContact O-CA 3.4Å; L127-K130 WeakPolarHBondContact O-CB 3.37Å; L127-K130 PolarHBondContact O-N 3.06Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 3.31Å; K130-N134 WeakPolarHBondContact O-CB 3.02Å; K130-N134 PolarHBondContact O-N 2.99Å; K130-N134 PolarHBondContact O-ND2 3.24Å; K130-E140 IonicContact NZ-OE1 2.71Å; K130-E140 PolarHBondContact NZ-OE1 2.81Å
131I96.4Very high89.9Confident0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-67.6-51.3173.8-73.1167.2000110.3L26 W32 Y84 V93 L127 F128 S129 K133 N134 C135 Y136L26-I131 HydrophobicContact CD1-CD1 4.17Å; L26-I131 HydrophobicContact CD1-CG2 4.03Å; L26-I131 HydrophobicContact CD2-CB 4.13Å; L26-I131 HydrophobicContact CD2-CG2 3.63Å; W32-I131 HydrophobicContact CE3-CD1 4.02Å; W32-I131 HydrophobicContact CH2-CB 4.39Å; W32-I131 HydrophobicContact CH2-CD1 3.76Å; W32-I131 HydrophobicContact CH2-CG1 3.92Å; W32-I131 HydrophobicContact CH2-CG2 3.56Å; W32-I131 HydrophobicContact CZ2-CD1 4.37Å; W32-I131 HydrophobicContact CZ2-CG2 3.31Å; W32-I131 HydrophobicContact CZ3-CD1 3.57Å; W32-I131 HydrophobicContact CZ3-CG1 4.2Å; W32-I131 HydrophobicContact CZ3-CG2 4.42Å; Y84-I131 HydrophobicContact CD2-CD1 4.39Å; Y84-I131 HydrophobicContact CD2-CG1 3.53Å; Y84-I131 HydrophobicContact CE2-CG1 3.87Å; Y84-I131 HydrophobicContact CG-CG1 4.09Å; V93-I131 HydrophobicContact CG2-CD1 4.1Å; L127-I131 HydrophobicContact CD1-CD1 4.11Å; L127-I131 HydrophobicContact CD1-CG1 4.36Å; L127-I131 HydrophobicContact CD2-CD1 4.42Å; L127-I131 HydrophobicContact CG-CD1 3.91Å; L127-I131 PolarHBondContact O-N 3.04Å; F128-I131 HydrophobicContact CD1-CD1 4.15Å; F128-I131 CarbonylContact O-C 3.57Å; F128-I131 WeakPolarHBondContact O-CA 3.28Å; F128-I131 WeakPolarHBondContact O-CB 3.32Å; F128-I131 PolarHBondContact O-N 3.34Å; S129-I131 PolarHBondContact O-N 3.23Å; I131-K133 PolarHBondContact O-N 2.95Å; I131-N134 PolarHBondContact O-N 3.36Å; I131-C135 HydrophobicContact CG2-CB 4.29Å; I131-C135 WeakPolarHBondContact O-CA 3.44Å; I131-C135 WeakPolarHBondContact O-CB 3.18Å; I131-C135 PolarHBondContact O-N 2.95Å; I131-Y136 HydrophobicContact CG2-CD2 4.12Å; I131-Y136 HydrophobicContact CG2-CE2 3.69Å
132R95.1Very high87.6Confident55 Ų5556.8 Ų56.821%0.20830%0.295CS..Iπ-helixtrans-51.8-52.6177.1-67.3-163.5-66.3-98.66.3111.7E25 L26 Y28 F128 S129 Y136 G137 E138E25-R132 PolarHBondContact O-NH1 3.11Å; E25-R132 IonicContact OE2-CZ 3.79Å; E25-R132 IonicContact OE2-NH1 3.13Å; E25-R132 PolarHBondContact OE2-NH1 3.06Å; E25-R132 IonicContact OE2-NH2 2.61Å; L26-R132 HydrophobicContact CD2-CG 3.68Å; Y28-R132 HydrophobicContact CE2-CG 3.95Å; Y28-R132 WeakPolarHBondContact OH-CD 3.23Å; Y28-R132 VanDerWaalsContact OH-CG 3.29Å; Y28-R132 WeakPolarHBondContact OH-CG 3.35Å; F128-R132 WeakPolarHBondContact O-CG 3.27Å; F128-R132 PolarHBondContact O-N 3.4Å; S129-R132 PolarHBondContact O-N 3.17Å; R132-Y136 CarbonylContact O-C 3.44Å; R132-Y136 WeakPolarHBondContact O-CA 3.43Å; R132-Y136 WeakPolarHBondContact O-CB 3.43Å; R132-Y136 PolarHBondContact O-N 3.29Å; R132-Y136 VanDerWaalsContact O-N 3.09Å; R132-G137 PolarHBondContact O-N 3.12Å; R132-E138 HydrophobicContact CB-CB 4.26Å; R132-E138 HydrophobicContact CB-CG 4.37Å; R132-E138 WeakPolarHBondContact CD-OE2 3.12Å; R132-E138 IonicContact NE-OE2 3.65Å; R132-E138 PolarHBondContact O-N 3.5Å
133K93.2Very high85.3Confident78 Ų7860.3 Ų60.334%0.33932%0.317SS..Iπ-helixtrans-60.9-54.1176.8-178.8171.8176.51730112.8S129 I131 G137 E138 E140S129-K133 WeakPolarHBondContact O-CB 3.41Å; S129-K133 PolarHBondContact O-N 2.8Å; S129-K133 VanDerWaalsContact O-N 3.09Å; I131-K133 PolarHBondContact O-N 2.95Å; K133-G137 WeakPolarHBondContact O-CA 3.27Å; K133-G137 PolarHBondContact O-N 3.36Å; K133-E138 WeakPolarHBondContact CA-O 3.41Å; K133-E140 HydrophobicContact CD-CB 4.21Å; K133-E140 HydrophobicContact CD-CG 3.97Å; K133-E140 WeakPolarHBondContact CD-OE1 3.42Å; K133-E140 IonicContact NZ-OE1 3.66Å; K133-E140 PolarHBondContact NZ-OE1 3.16Å; K133-E140 VanDerWaalsContact NZ-OE1 3.08Å; K133-E140 IonicContact NZ-OE2 3.71Å; K133-E140 PolarHBondContact NZ-OE2 2.61Å
134N93.8Very high82.8Confident65 Ų6561.4 Ų61.435%0.34833%0.326SS..Iπ-helixtrans-88.8-19.5-165.5-61-38.2000114.4K54 Y84 K130 I131K54-N134 HydrophobicContact CD-CB 3.42Å; K54-N134 VanDerWaalsContact CD-CB 3.42Å; K54-N134 WeakPolarHBondContact CE-O 3.14Å; K54-N134 PolarHBondContact NZ-O 2.88Å; Y84-N134 HydrophobicContact CE2-CB 4.5Å; Y84-N134 PolarHBondContact OH-ND2 2.96Å; K130-N134 WeakPolarHBondContact O-CB 3.02Å; K130-N134 PolarHBondContact O-N 2.99Å; K130-N134 PolarHBondContact O-ND2 3.24Å; I131-N134 PolarHBondContact O-N 3.36Å
135C93.8Very high80.1Confident27 Ų2765.6 Ų65.618%0.18236%0.355CS..Iπ-helixtrans-107-32.7-179.3-64.40000112.5K54 V86 I131K54-C135 PolarHBondContact NZ-SG 2.98Å; K54-C135 VanDerWaalsContact NZ-SG 3.42Å; V86-C135 HydrophobicContact CB-CB 4.5Å; V86-C135 HydrophobicContact CG1-CB 3.7Å; I131-C135 HydrophobicContact CG2-CB 4.29Å; I131-C135 WeakPolarHBondContact O-CA 3.44Å; I131-C135 WeakPolarHBondContact O-CB 3.18Å; I131-C135 PolarHBondContact O-N 2.95Å
136Y93.4Very high77.3Confident57 Ų5767.5 Ų67.522%0.22437%0.373CS..Iπ-helixtrans-113.3-7.7-175.5-58-72.2000113.7Y28 D30 W32 I131 R132 E138Y28-Y136 AromaticContact CD1-CD1 3.74Å; Y28-Y136 HydrophobicContact CD1-CD1 3.74Å; Y28-Y136 HydrophobicContact CD1-CD2 4.42Å; Y28-Y136 HydrophobicContact CD1-CE1 4.26Å; Y28-Y136 AromaticContact CD1-CG 3.82Å; Y28-Y136 HydrophobicContact CD1-CG 3.82Å; Y28-Y136 HydrophobicContact CD2-CD1 4.08Å; Y28-Y136 AromaticContact CD2-CD2 3.61Å; Y28-Y136 HydrophobicContact CD2-CD2 3.61Å; Y28-Y136 HydrophobicContact CD2-CE1 4.05Å; Y28-Y136 AromaticContact CD2-CE2 3.57Å; Y28-Y136 HydrophobicContact CD2-CE2 3.57Å; Y28-Y136 AromaticContact CD2-CG 3.86Å; Y28-Y136 HydrophobicContact CD2-CG 3.86Å; Y28-Y136 AromaticContact CD2-CZ 3.79Å; Y28-Y136 HydrophobicContact CE1-CD1 4.27Å; Y28-Y136 HydrophobicContact CE1-CD2 4.4Å; Y28-Y136 AromaticContact CE1-CG 3.88Å; Y28-Y136 HydrophobicContact CE1-CG 3.88Å; Y28-Y136 AromaticContact CE2-CD2 3.58Å; Y28-Y136 HydrophobicContact CE2-CD2 3.58Å; Y28-Y136 AromaticContact CE2-CE2 3.93Å; Y28-Y136 HydrophobicContact CE2-CE2 3.93Å; Y28-Y136 AromaticContact CE2-CG 3.91Å; Y28-Y136 HydrophobicContact CE2-CG 3.91Å; Y28-Y136 AromaticContact CG-CD1 3.63Å; Y28-Y136 HydrophobicContact CG-CD1 3.63Å; Y28-Y136 HydrophobicContact CG-CD2 4.03Å; Y28-Y136 AromaticContact CG-CE1 3.69Å; Y28-Y136 HydrophobicContact CG-CE1 3.69Å; Y28-Y136 HydrophobicContact CG-CE2 4.09Å; Y28-Y136 AromaticContact CG-CG 3.79Å; Y28-Y136 HydrophobicContact CG-CG 3.79Å; Y28-Y136 AromaticContact CG-CZ 3.91Å; Y28-Y136 AromaticContact CZ-CD2 3.97Å; Y28-Y136 AromaticContact CZ-CG 3.9Å; D30-Y136 WeakPolarHBondContact CB-OH 3.45Å; D30-Y136 VanDerWaalsContact CG-OH 3.28Å; D30-Y136 WeakPolarHBondContact OD2-CE1 3.44Å; D30-Y136 VanDerWaalsContact OD2-CZ 3.24Å; D30-Y136 PolarHBondContact OD2-OH 3.28Å; W32-Y136 HydrophobicContact CZ2-CE2 4.08Å; W32-Y136 PolarHBondContact NE1-OH 3.26Å; W32-Y136 VanDerWaalsContact NE1-OH 3.07Å; I131-Y136 HydrophobicContact CG2-CD2 4.12Å; I131-Y136 HydrophobicContact CG2-CE2 3.69Å; R132-Y136 CarbonylContact O-C 3.44Å; R132-Y136 WeakPolarHBondContact O-CA 3.43Å; R132-Y136 WeakPolarHBondContact O-CB 3.43Å; R132-Y136 PolarHBondContact O-N 3.29Å; R132-Y136 VanDerWaalsContact O-N 3.09Å; Y136-E138 VanDerWaalsContact C-N 3.33Å
137G88.3Confident74.4Confident61 Ų6168.7 Ų68.763%0.62939%0.386SS*.  trans76.519.817400000113.9R132 K133R132-G137 PolarHBondContact O-N 3.12Å; K133-G137 WeakPolarHBondContact O-CA 3.27Å; K133-G137 PolarHBondContact O-N 3.36Å
138E88.2Confident71.5Confident87 Ų8773.2 Ų73.241%0.40742%0.418SS..  trans-64.9137.2172.2-71.4-162.4172.300111.3Y28 R132 K133 Y136Y28-E138 WeakPolarHBondContact OH-CG 3.47Å; Y28-E138 PolarHBondContact OH-OE1 2.88Å; Y28-E138 PolarHBondContact OH-OE2 3.12Å; R132-E138 HydrophobicContact CB-CB 4.26Å; R132-E138 HydrophobicContact CB-CG 4.37Å; R132-E138 WeakPolarHBondContact CD-OE2 3.12Å; R132-E138 IonicContact NE-OE2 3.65Å; R132-E138 PolarHBondContact O-N 3.5Å; K133-E138 WeakPolarHBondContact CA-O 3.41Å; Y136-E138 VanDerWaalsContact C-N 3.33Å
139E75.4Confident68.6Low183 Ų18377.8 Ų77.886%0.85545%0.45SS*.  trans-64.6139.2170.2-62.6-170.6175.600109.1S141E139-S141 PolarHBondContact O-N 2.83Å
140E61.6Low65.9Low87 Ų8780.9 Ų80.941%0.40748%0.477SS..  trans-66.1107.6179.8-140.9163.8-143.300106.5K130 K133 D142K130-E140 IonicContact NZ-OE1 2.71Å; K130-E140 PolarHBondContact NZ-OE1 2.81Å; K133-E140 HydrophobicContact CD-CB 4.21Å; K133-E140 HydrophobicContact CD-CG 3.97Å; K133-E140 WeakPolarHBondContact CD-OE1 3.42Å; K133-E140 IonicContact NZ-OE1 3.66Å; K133-E140 PolarHBondContact NZ-OE1 3.16Å; K133-E140 VanDerWaalsContact NZ-OE1 3.08Å; K133-E140 IonicContact NZ-OE2 3.71Å; K133-E140 PolarHBondContact NZ-OE2 2.61Å; E140-D142 PolarHBondContact O-N 2.94Å
141S53Low63.5Low81 Ų8183.3 Ų83.357%0.56649%0.488SS*.  trans-61.7133.1173.569.40000108.3E139 D143 A144E139-S141 PolarHBondContact O-N 2.83Å; S141-D143 PolarHBondContact O-N 2.61Å; S141-A144 PolarHBondContact O-N 2.78Å
142D46.9Very low61.1Low148 Ų14888.9 Ų88.979%0.79152%0.521SS*.G310 helixtrans-56.7-15.2-179-76.3-43.5000113E140 A144 S145E140-D142 PolarHBondContact O-N 2.94Å; D142-A144 PolarHBondContact O-N 2.8Å; D142-S145 WeakPolarHBondContact O-CB 3.37Å; D142-S145 PolarHBondContact O-N 2.95Å
143D45.3Very low59.2Low142 Ų14291 Ų9176%0.75953%0.53SS*.G310 helixtrans-64.4-21.1172.3-95.9-54.6000113.9S141 S145S141-D143 PolarHBondContact O-N 2.61Å; D143-S145 PolarHBondContact O-N 3.29Å
144A43.8Very low57.2Low23 Ų2393.3 Ų93.319%0.1955%0.55CS.*G310 helixtrans-72.4-18.8172.400000112.3R126 S141 D142R126-A144 PolarHBondContact NH1-O 3.42Å; R126-A144 PolarHBondContact NH2-O 3.05Å; S141-A144 PolarHBondContact O-N 2.78Å; D142-A144 PolarHBondContact O-N 2.8Å
145S39.8Very low55.6Low87 Ų8798.2 Ų98.261%0.60857%0.568SS**G310 helixtrans-85.5-3.3-172.8-164.90000115D142 D143D142-S145 WeakPolarHBondContact O-CB 3.37Å; D142-S145 PolarHBondContact O-N 2.95Å; D143-S145 PolarHBondContact O-N 3.29Å
146S37.7Very low54.4Low101 Ų101102.6 Ų102.671%0.70660%0.596SS**G310 helixtrans-131.232.1-171.8-63.80000115.6
147T33.8Very low53.9Low75 Ų75101.5 Ų101.546%0.4659%0.593SS.*  trans-134.125.8161.961.20000113.5R126 S149R126-T147 PolarHBondContact NH2-OG1 2.86Å; T147-S149 PolarHBondContact O-N 3.03Å
148S37.5Very low53.9Low95 Ų95103.9 Ų103.966%0.66459%0.588SS**  trans-68.378.9136.454.60000105.4A150S148-A150 PolarHBondContact O-N 3.09Å
149S34.2Very low53.9Low96 Ų96102 Ų10267%0.67159%0.588SS**  trans-51108.6145.1-66.60000102.7T147 K151T147-S149 PolarHBondContact O-N 3.03Å; S149-K151 PolarHBondContact O-N 3.38Å
150A37.8Very low54.6Low89 Ų8997 Ų9774%0.73658%0.577SS**  trans-57.177.4159.400000104.3S148 V152S148-A150 PolarHBondContact O-N 3.09Å; A150-V152 PolarHBondContact O-N 3.5Å
151K45.1Very low56Low112 Ų11293.8 Ų93.849%0.48756%0.563SS.*  trans-66.593.4168.2-98.5-175.4-179.7170.20100.6F61 S149 W153F61-K151 HydrophobicContact CD2-CD 4.14Å; F61-K151 HydrophobicContact CE2-CB 4.25Å; F61-K151 HydrophobicContact CE2-CD 3.19Å; F61-K151 HydrophobicContact CE2-CG 4.37Å; F61-K151 HydrophobicContact CZ-CB 4.12Å; F61-K151 HydrophobicContact CZ-CD 3.51Å; F61-K151 HydrophobicContact CZ-CG 4.41Å; S149-K151 PolarHBondContact O-N 3.38Å; K151-W153 VanDerWaalsContact C-N 3.33Å; K151-W153 PolarHBondContact O-N 2.82Å
152V44.9Very low58Low117 Ų11790 Ų9071%0.70954%0.537SS*.  trans-45.5106.9172.8177.10000105.2A150 T154A150-V152 PolarHBondContact O-N 3.5Å; V152-T154 HydrophobicContact CB-CG2 4.49Å; V152-T154 HydrophobicContact CG1-CG2 3.94Å; V152-T154 PolarHBondContact O-N 3.5Å
153W56.5Low60.2Low101 Ų10184.3 Ų84.338%0.38351%0.505SS..  trans-74.986.8-179.6-70.9-34.2000106.1F61 A76 R77 K151 K155F61-W153 AromaticContact CE2-NE1 3.93Å; F61-W153 AromaticContact CZ-CD1 3.7Å; F61-W153 AromaticContact CZ-NE1 3.72Å; A76-W153 HydrophobicContact CB-CB 4.36Å; A76-W153 HydrophobicContact CB-CD2 4.49Å; A76-W153 HydrophobicContact CB-CG 3.79Å; R77-W153 HydrophobicContact CG-CD2 4.4Å; R77-W153 HydrophobicContact CG-CE3 4.33Å; R77-W153 HydrophobicContact CG-CH2 4.22Å; R77-W153 HydrophobicContact CG-CZ2 4.28Å; R77-W153 HydrophobicContact CG-CZ3 4.25Å; K151-W153 VanDerWaalsContact C-N 3.33Å; K151-W153 PolarHBondContact O-N 2.82Å; W153-K155 PolarHBondContact O-N 2.99Å; W153-K155 VanDerWaalsContact O-N 3.08Å
154T50.7Low62.6Low126 Ų12677.6 Ų77.677%0.77347%0.469SS*.  trans-68.7-5.6-173.149.80000113.8V152V152-T154 HydrophobicContact CB-CG2 4.49Å; V152-T154 HydrophobicContact CG1-CG2 3.94Å; V152-T154 PolarHBondContact O-N 3.5Å
155K60.4Low64.9Low168 Ų16878.2 Ų78.273%0.7347%0.471SS*.SBendtrans-116.1131173.4-70.4-166.4175.3-168.50110.5W153 H157W153-K155 PolarHBondContact O-N 2.99Å; W153-K155 VanDerWaalsContact O-N 3.08Å; K155-H157 PolarHBondContact O-N 3.09Å
156P68.4Low67.4Low118 Ų11879 Ų7977%0.76647%0.466SS*.  trans-60.7132.7175.224.5-31.2000109.4E158P156-E158 PolarHBondContact O-N 3.31Å
157H83.3Confident69.9Low34 Ų3478.3 Ų78.316%0.15745%0.453CS..  trans-68.2120174176.760.5000109.7R77 K155 A159 C162 C165R77-H157 WeakPolarHBondContact CB-ND1 3.1Å; K155-H157 PolarHBondContact O-N 3.09Å; H157-A159 VanDerWaalsContact C-N 3.27Å; H157-A159 PolarHBondContact O-N 3.14Å; H157-C162 PolarHBondContact CE1-SG 2.79Å; H157-C162 WeakPolarHBondContact NE2-CB 3.4Å; H157-C162 PolarHBondContact NE2-SG 2.98Å; H157-C162 VanDerWaalsContact NE2-SG 3.42Å; H157-C165 PolarHBondContact NE2-SG 3.24Å
158E86.7Confident72.6Confident112 Ų11277.9 Ų77.952%0.52346%0.464SS..  trans-75.478.8177.7-65-175.9-115.400110.2P156 A160 L161 C162P156-E158 PolarHBondContact O-N 3.31Å; E158-A160 PolarHBondContact O-N 2.92Å; E158-L161 HydrophobicContact CB-CB 4.4Å; E158-L161 HydrophobicContact CB-CD1 4.06Å; E158-L161 HydrophobicContact CB-CG 4.35Å; E158-L161 PolarHBondContact O-N 2.93Å; E158-L161 WeakPolarHBondContact OE2-CD1 3.38Å; E158-C162 PolarHBondContact O-N 2.77Å
159A88.1Confident75Confident48 Ų4874 Ų7440%0.39744%0.435SS..G310 helixtrans-56.2-34.8-17500000113.3H157 L161 C162 C165H157-A159 VanDerWaalsContact C-N 3.27Å; H157-A159 PolarHBondContact O-N 3.14Å; A159-L161 PolarHBondContact O-N 2.6Å; A159-C162 PolarHBondContact O-N 2.57Å; A159-C162 VanDerWaalsContact O-N 3.11Å; A159-C165 HydrophobicContact CB-CB 4.14Å; A159-C165 VanDerWaalsContact O-CB 3.29Å; A159-C165 WeakPolarHBondContact O-CB 3.41Å
160A90.1Very high77.4Confident77 Ų7769.9 Ų69.964%0.63641%0.407SS*.G310 helixtrans-67.1-10.6177.200000114.3E158 H166E158-A160 PolarHBondContact O-N 2.92Å; A160-H166 PolarHBondContact O-CE1 3.07Å; A160-H166 PolarHBondContact O-NE2 3.04Å; A160-H166 VanDerWaalsContact O-NE2 3.17Å
161L92.7Very high78.7Confident20 Ų2067.5 Ų67.511%0.10538%0.384CS..G310 helixtrans-111.6-1.4175.7-58176.2000111.9Q100 A101 E158 A159Q100-L161 CarbonylContact C-O 3.47Å; Q100-L161 WeakPolarHBondContact CA-O 3.29Å; A101-L161 HydrophobicContact CB-CB 4.36Å; A101-L161 HydrophobicContact CB-CD2 4.13Å; A101-L161 PolarHBondContact N-O 2.8Å; E158-L161 HydrophobicContact CB-CB 4.4Å; E158-L161 HydrophobicContact CB-CD1 4.06Å; E158-L161 HydrophobicContact CB-CG 4.35Å; E158-L161 PolarHBondContact O-N 2.93Å; E158-L161 WeakPolarHBondContact OE2-CD1 3.38Å; A159-L161 PolarHBondContact O-N 2.6Å
162C93.5Very high79.3Confident2 Ų269.3 Ų69.31%0.01440%0.398CS..BIsolated β-bridgetrans-95.6117.7-174179.90000110.7H157 E158 A159 A164 C165 H166H157-C162 PolarHBondContact CE1-SG 2.79Å; H157-C162 WeakPolarHBondContact NE2-CB 3.4Å; H157-C162 PolarHBondContact NE2-SG 2.98Å; H157-C162 VanDerWaalsContact NE2-SG 3.42Å; E158-C162 PolarHBondContact O-N 2.77Å; A159-C162 PolarHBondContact O-N 2.57Å; A159-C162 VanDerWaalsContact O-N 3.11Å; C162-A164 PolarHBondContact O-N 3.35Å; C162-C165 HydrophobicContact CB-CB 3.88Å; C162-C165 WeakPolarHBondContact O-CB 3.48Å; C162-C165 PolarHBondContact O-N 2.8Å; C162-H166 PolarHBondContact O-N 2.64Å; C162-H166 VanDerWaalsContact O-N 3.12Å
163E94.9Very high79.2Confident28 Ų2870.7 Ų70.713%0.13140%0.397CS..Hα-helixtrans-55.1-42.7178.1-173.1-171.3-174.300111.4R96 F98 G99 Y110 C165 H166 L167R96-E163 IonicContact CZ-OE1 3.74Å; R96-E163 IonicContact NH2-OE1 2.65Å; R96-E163 PolarHBondContact NH2-OE1 2.84Å; F98-E163 WeakPolarHBondContact CA-OE2 3.38Å; F98-E163 HydrophobicContact CB-CB 4.36Å; F98-E163 HydrophobicContact CD1-CB 4.28Å; F98-E163 HydrophobicContact CD1-CG 3.97Å; G99-E163 PolarHBondContact N-OE2 3.31Å; G99-E163 VanDerWaalsContact O-CB 3.26Å; G99-E163 WeakPolarHBondContact O-CB 3.43Å; G99-E163 PolarHBondContact O-N 3.48Å; G99-E163 VanDerWaalsContact O-N 3.12Å; Y110-E163 HydrophobicContact CD1-CB 3.68Å; Y110-E163 HydrophobicContact CD1-CG 4.37Å; Y110-E163 HydrophobicContact CD2-CB 4.08Å; Y110-E163 HydrophobicContact CD2-CG 3.85Å; Y110-E163 HydrophobicContact CE1-CB 3.76Å; Y110-E163 HydrophobicContact CE1-CG 4.39Å; Y110-E163 HydrophobicContact CE2-CB 4.16Å; Y110-E163 HydrophobicContact CE2-CG 3.88Å; Y110-E163 HydrophobicContact CG-CB 3.85Å; Y110-E163 HydrophobicContact CG-CG 4.11Å; E163-C165 VanDerWaalsContact C-N 3.32Å; E163-C165 PolarHBondContact O-N 3.06Å; E163-H166 PolarHBondContact O-N 3.08Å; E163-L167 HydrophobicContact CG-CD1 4.26Å; E163-L167 WeakPolarHBondContact O-CG 3.36Å; E163-L167 PolarHBondContact O-N 3.42Å; E163-L167 VanDerWaalsContact O-N 3.17Å
164A93.8Very high78.2Confident0 Ų074 Ų740%042%0.422CS..Hα-helixtrans-65.6-32.5178.900000113.2L79 F98 C162 L167 G168 I169 C170L79-A164 HydrophobicContact CB-CB 3.87Å; L79-A164 HydrophobicContact CD2-CB 3.5Å; L79-A164 HydrophobicContact CG-CB 4.28Å; F98-A164 HydrophobicContact CB-CB 3.99Å; F98-A164 HydrophobicContact CD1-CB 4Å; F98-A164 HydrophobicContact CG-CB 3.9Å; C162-A164 PolarHBondContact O-N 3.35Å; A164-L167 PolarHBondContact O-N 3.02Å; A164-G168 PolarHBondContact O-N 3.31Å; A164-I169 PolarHBondContact O-N 2.94Å; A164-C170 HydrophobicContact CB-CB 3.86Å; A164-C170 PolarHBondContact O-N 3.26Å; A164-C170 VanDerWaalsContact O-N 3.08Å
165C92.4Very high77.1Confident36 Ų3680.6 Ų80.624%0.24344%0.444CS..Hα-helixtrans-70.3-41.5175.5-75.80000111.1H157 A159 C162 E163 L167 G168 C170H157-C165 PolarHBondContact NE2-SG 3.24Å; A159-C165 HydrophobicContact CB-CB 4.14Å; A159-C165 VanDerWaalsContact O-CB 3.29Å; A159-C165 WeakPolarHBondContact O-CB 3.41Å; C162-C165 HydrophobicContact CB-CB 3.88Å; C162-C165 WeakPolarHBondContact O-CB 3.48Å; C162-C165 PolarHBondContact O-N 2.8Å; E163-C165 VanDerWaalsContact C-N 3.32Å; E163-C165 PolarHBondContact O-N 3.06Å; C165-L167 PolarHBondContact O-N 2.72Å; C165-G168 PolarHBondContact O-N 2.93Å; C165-C170 HydrophobicContact CB-CB 4.34Å; C165-C170 WeakPolarHBondContact SG-CB 3.44Å; C165-C170 VanDerWaalsContact SG-SG 3.69Å
166H92.1Very high77.9Confident105 Ų10576.2 Ų76.249%0.48643%0.43SS..Hα-helixtrans-62-27.8175.8-66.5150.3000113.1Y110 A160 C162 E163Y110-H166 AromaticContact CZ-ND1 3.78Å; Y110-H166 PolarHBondContact OH-ND1 3.28Å; A160-H166 PolarHBondContact O-CE1 3.07Å; A160-H166 PolarHBondContact O-NE2 3.04Å; A160-H166 VanDerWaalsContact O-NE2 3.17Å; C162-H166 PolarHBondContact O-N 2.64Å; C162-H166 VanDerWaalsContact O-N 3.12Å; E163-H166 PolarHBondContact O-N 3.08Å
167L90.8Very high78.4Confident85 Ų8574 Ų7445%0.44541%0.412SS..THydrogen-bonded Turntrans-90.7-1.1174.9-63.4171.3000113.6F98 E163 A164 C165 I169F98-L167 HydrophobicContact CD1-CD1 4.18Å; F98-L167 HydrophobicContact CE1-CD1 3.61Å; E163-L167 HydrophobicContact CG-CD1 4.26Å; E163-L167 WeakPolarHBondContact O-CG 3.36Å; E163-L167 PolarHBondContact O-N 3.42Å; E163-L167 VanDerWaalsContact O-N 3.17Å; A164-L167 PolarHBondContact O-N 3.02Å; C165-L167 PolarHBondContact O-N 2.72Å; L167-I169 VanDerWaalsContact C-N 3.25Å; L167-I169 HydrophobicContact CB-CD1 3.83Å; L167-I169 HydrophobicContact CB-CG1 3.83Å; L167-I169 HydrophobicContact CD1-CD1 4.37Å; L167-I169 WeakPolarHBondContact O-CG1 3.32Å; L167-I169 PolarHBondContact O-N 2.49Å
168G89.6Confident78.2Confident66 Ų6676.2 Ų76.268%0.6843%0.426SS*.THydrogen-bonded Turntrans67.321.1-177.600000114.7A164 C165A164-G168 PolarHBondContact O-N 3.31Å; C165-G168 PolarHBondContact O-N 2.93Å
169I88.9Confident77.7Confident14 Ų1474.1 Ų74.17%0.07242%0.421CS..  trans-102.7-22.3-175.9-48.3179000112N42 L79 F98 A164 L167 C171N42-I169 HydrophobicContact CB-CD1 4.39Å; N42-I169 HydrophobicContact CB-CG1 4.47Å; N42-I169 HydrophobicContact CB-CG2 3.75Å; L79-I169 HydrophobicContact CD2-CB 4.16Å; L79-I169 HydrophobicContact CD2-CG2 3.7Å; F98-I169 HydrophobicContact CE1-CD1 4.17Å; F98-I169 HydrophobicContact CZ-CD1 3.96Å; A164-I169 PolarHBondContact O-N 2.94Å; L167-I169 VanDerWaalsContact C-N 3.25Å; L167-I169 HydrophobicContact CB-CD1 3.83Å; L167-I169 HydrophobicContact CB-CG1 3.83Å; L167-I169 HydrophobicContact CD1-CD1 4.37Å; L167-I169 WeakPolarHBondContact O-CG1 3.32Å; L167-I169 PolarHBondContact O-N 2.49Å; I169-C171 PolarHBondContact O-N 3.29Å
170C84.4Confident77Confident10 Ų1075.8 Ų75.87%0.06842%0.422CS..SBendtrans-56.6138.6-175.7-164.20000110.8A164 C165 L172A164-C170 HydrophobicContact CB-CB 3.86Å; A164-C170 PolarHBondContact O-N 3.26Å; A164-C170 VanDerWaalsContact O-N 3.08Å; C165-C170 HydrophobicContact CB-CB 4.34Å; C165-C170 WeakPolarHBondContact SG-CB 3.44Å; C165-C170 VanDerWaalsContact SG-SG 3.69Å; C170-L172 PolarHBondContact O-N 2.98Å
171C66.1Low76.2Confident38 Ų3875.7 Ų75.726%0.25741%0.408SS..  trans-52.2101.2178.4-39.50000108.4C59 R77 L79 I169C59-C171 HydrophobicContact CB-CB 4.3Å; C59-C171 WeakPolarHBondContact CB-SG 3.46Å; C59-C171 WeakPolarHBondContact SG-CB 3.42Å; C59-C171 CovalentContact SG-SG 2.07Å; C59-C171 PolarHBondContact SG-SG 3.12Å; R77-C171 PolarHBondContact NH2-O 2.79Å; L79-C171 WeakPolarHBondContact CD1-SG 3.39Å; I169-C171 PolarHBondContact O-N 3.29Å
172L56.9Low75Confident151 Ų15179.6 Ų79.679%0.79143%0.429SS*.  trans-63.6141.7158.8-68.5170.3000105.1C170 D174C170-L172 PolarHBondContact O-N 2.98Å; L172-D174 PolarHBondContact O-N 3.35Å
173E43.1Very low73.5Confident145 Ų14585.6 Ų85.668%0.67846%0.461SS*.  trans-46.7122.4174.5-70.4167.6133.400107.5E175E173-E175 PolarHBondContact O-N 2.92Å
174D35Very low71.8Confident171 Ų17190.4 Ų90.491%0.91449%0.489SS*.  trans-60.2102.2157.7-69.7-63.1000103.7L172L172-D174 PolarHBondContact O-N 3.35Å
175E28.1Very low69.8Low264 Ų26498.6 Ų98.6100%1.23453%0.533SS*.  trans-57.10171.8-74.1-177.989.900111.1E173E173-E175 PolarHBondContact O-N 2.92Å

Retrieved 175 of 175 residues in 330.5 ms (Link to these results)

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