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Phosphatidylinositol-3-phosphatase SAC1 AlphaSync

AlphaFold DB , UniProt , Accession G4VJY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 554 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
1M73.3Confident92.2Very high168 Ų16841.2 Ų41.283%0.82820%0.202SC*.  0147.20-78.2-177.7-85.700106.8T132 D194M1-T132 HydrophobicContact CG-CG2 4.49Å; M1-T132 HydrophobicContact SD-CG2 4.48Å; M1-D194 VanDerWaalsContact O-OD1 3.11Å
2V88.2Confident92Very high10 Ų1042.9 Ų42.96%0.06122%0.219CC..  trans-103.6142.6177.9176.40000108.5S131 I154 D194 C196 V197V2-S131 PolarHBondContact N-O 3.22Å; V2-S131 VanDerWaalsContact O-CB 3.31Å; V2-S131 WeakPolarHBondContact O-CB 3.2Å; V2-I154 HydrophobicContact CG2-CB 4.34Å; V2-I154 HydrophobicContact CG2-CD1 4.5Å; V2-D194 WeakPolarHBondContact CA-O 3.46Å; V2-D194 WeakPolarHBondContact CG1-O 3.42Å; V2-C196 WeakPolarHBondContact CG2-O 3.4Å; V2-V197 HydrophobicContact CG1-CB 3.74Å; V2-V197 HydrophobicContact CG1-CG2 4.18Å
3Y91.9Very high91.9Very high50 Ų5044.5 Ų44.520%0.19623%0.228CC..  trans-63.9140.2176.3-65.1-75.1000110.6Y6 A19 S22 D194 Y195Y3-Y6 WeakPolarHBondContact CB-OH 3.35Å; Y3-Y6 WeakPolarHBondContact O-CE2 3.46Å; Y3-Y6 PolarHBondContact O-OH 2.95Å; Y3-A19 HydrophobicContact CD1-CB 3.7Å; Y3-A19 HydrophobicContact CD2-CB 3.52Å; Y3-A19 HydrophobicContact CE1-CB 4.11Å; Y3-A19 HydrophobicContact CE2-CB 3.95Å; Y3-A19 HydrophobicContact CG-CB 3.38Å; Y3-S22 WeakPolarHBondContact OH-CB 3.08Å; Y3-S22 PolarHBondContact OH-OG 3.36Å; Y3-D194 HydrophobicContact CD2-CB 3.94Å; Y3-D194 VanDerWaalsContact CD2-O 3.31Å; Y3-D194 WeakPolarHBondContact CD2-O 3.33Å; Y3-D194 HydrophobicContact CE2-CB 3.79Å; Y3-D194 PolarHBondContact N-O 2.91Å; Y3-Y195 HydrophobicContact CD2-CD1 4.47Å; Y3-Y195 HydrophobicContact CD2-CD2 4.39Å; Y3-Y195 HydrophobicContact CD2-CE1 4.16Å; Y3-Y195 HydrophobicContact CD2-CE2 4.08Å; Y3-Y195 AromaticContact CD2-CZ 3.94Å; Y3-Y195 HydrophobicContact CE2-CD2 4.34Å; Y3-Y195 HydrophobicContact CE2-CE1 4.34Å; Y3-Y195 AromaticContact CE2-CE2 3.67Å; Y3-Y195 HydrophobicContact CE2-CE2 3.67Å; Y3-Y195 AromaticContact CE2-CZ 3.66Å
4D90.9Very high92Very high65 Ų6545.4 Ų45.435%0.34823%0.231SC..  trans-108.2-14.4-171.277.6-45.3000113.6Y54 R74 S131D4-Y54 CarbonylContact O-C 3.56Å; D4-Y54 WeakPolarHBondContact O-CA 3.5Å; D4-R74 VanDerWaalsContact O-CZ 3.28Å; D4-R74 PolarHBondContact O-NH1 2.8Å; D4-R74 PolarHBondContact O-NH2 2.85Å; D4-R74 IonicContact OD2-NH2 2.64Å; D4-R74 PolarHBondContact OD2-NH2 2.99Å; D4-S131 VanDerWaalsContact CB-OG 3.26Å; D4-S131 WeakPolarHBondContact CB-OG 3.05Å
5E95.9Very high92.3Very high60 Ų6042.9 Ų42.928%0.2822%0.218SC..  trans-143.1139.3176.1-170.1168.9133.300110.9L20 T52 Y54E5-L20 HydrophobicContact CB-CB 4.31Å; E5-L20 HydrophobicContact CB-CD2 4.39Å; E5-L20 WeakPolarHBondContact O-CB 3.25Å; E5-L20 PolarHBondContact O-N 3.32Å; E5-T52 HydrophobicContact CG-CG2 3.64Å; E5-Y54 HydrophobicContact CB-CD1 4.48Å; E5-Y54 HydrophobicContact CG-CD1 4.31Å; E5-Y54 HydrophobicContact CG-CE1 4.28Å
6Y96.7Very high92.5Very high1 Ų141 Ų410%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-138148.8-179.9-44.5-114000110Y3 I17 N18 A19 T52 I53 Y195Y3-Y6 WeakPolarHBondContact CB-OH 3.35Å; Y3-Y6 WeakPolarHBondContact O-CE2 3.46Å; Y3-Y6 PolarHBondContact O-OH 2.95Å; Y6-I17 HydrophobicContact CD1-CG2 3.97Å; Y6-I17 HydrophobicContact CG-CG2 4.45Å; Y6-N18 CarbonylContact C-O 3.55Å; Y6-N18 VanDerWaalsContact CA-O 3.24Å; Y6-N18 WeakPolarHBondContact CA-O 3.27Å; Y6-N18 WeakPolarHBondContact CB-O 3.43Å; Y6-A19 HydrophobicContact CD1-CB 3.53Å; Y6-A19 HydrophobicContact CE1-CB 3.7Å; Y6-A19 HydrophobicContact CG-CB 4.38Å; Y6-T52 WeakPolarHBondContact O-CA 3.39Å; Y6-I53 HydrophobicContact CD2-CG1 4.28Å; Y6-I53 HydrophobicContact CG-CG1 4.25Å; Y6-I53 PolarHBondContact N-O 3.21Å; Y6-I53 PolarHBondContact O-N 2.78Å; Y6-Y195 HydrophobicContact CD1-CD1 4.33Å; Y6-Y195 HydrophobicContact CD1-CE1 4.33Å; Y6-Y195 AromaticContact CE1-CD1 3.6Å; Y6-Y195 HydrophobicContact CE1-CD1 3.6Å; Y6-Y195 AromaticContact CE1-CE1 3.91Å; Y6-Y195 HydrophobicContact CE1-CE1 3.91Å
7T96.4Very high92.6Very high22 Ų2238.6 Ų38.614%0.13520%0.195CC..EExtended strand (participates in β ladder)trans-96.1121.5165.1-580000109.2F9 I17 N18 K50T7-F9 HydrophobicContact CG2-CD2 3.87Å; T7-F9 HydrophobicContact CG2-CE1 4.18Å; T7-F9 HydrophobicContact CG2-CE2 3.28Å; T7-F9 HydrophobicContact CG2-CZ 3.48Å; T7-F9 VanDerWaalsContact CG2-CZ 3.48Å; T7-I17 WeakPolarHBondContact O-CA 3.35Å; T7-N18 PolarHBondContact N-O 2.91Å; T7-N18 PolarHBondContact O-N 3.36Å; T7-K50 HydrophobicContact CG2-CD 4.11Å; T7-K50 VanDerWaalsContact CG2-CE 3.47Å; T7-K50 HydrophobicContact CG2-CG 3.69Å
8L96.7Very high92.7Very high3 Ų337.8 Ų37.82%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-104.4123.2171.9171.367.7000109.4I10 F16 I17 K50 H51 I53 L94L8-I10 HydrophobicContact CD1-CG1 4.42Å; L8-I10 HydrophobicContact CD2-CD1 4.06Å; L8-I10 HydrophobicContact CD2-CG1 4.09Å; L8-I10 HydrophobicContact CG-CD1 4.48Å; L8-I10 HydrophobicContact CG-CG1 4.01Å; L8-F16 CarbonylContact C-O 3.49Å; L8-F16 WeakPolarHBondContact CA-O 3.24Å; L8-I17 HydrophobicContact CD1-CG1 3.71Å; L8-K50 CarbonylContact O-C 3.6Å; L8-H51 HydrophobicContact CB-CB 4.42Å; L8-H51 PolarHBondContact N-O 2.87Å; L8-H51 PolarHBondContact O-N 3.38Å; L8-I53 HydrophobicContact CB-CD1 4.15Å; L8-I53 HydrophobicContact CB-CG1 4.4Å; L8-I53 HydrophobicContact CB-CG2 4.22Å; L8-I53 HydrophobicContact CD2-CG2 4.2Å; L8-L94 HydrophobicContact CD2-CD1 3.53Å
9F96.5Very high92.8Very high35 Ų3535.8 Ų35.815%0.15418%0.182CC..EExtended strand (participates in β ladder)trans-105.5127.4169.8-59.4-92.7000109.8T7 Y15 F16 I44 A48 K49 K50T7-F9 HydrophobicContact CG2-CD2 3.87Å; T7-F9 HydrophobicContact CG2-CE1 4.18Å; T7-F9 HydrophobicContact CG2-CE2 3.28Å; T7-F9 HydrophobicContact CG2-CZ 3.48Å; T7-F9 VanDerWaalsContact CG2-CZ 3.48Å; F9-Y15 WeakPolarHBondContact O-CA 3.49Å; F9-F16 HydrophobicContact CB-CB 4.12Å; F9-F16 HydrophobicContact CB-CD2 4.21Å; F9-F16 HydrophobicContact CD2-CB 4.26Å; F9-F16 PolarHBondContact N-O 3.05Å; F9-F16 PolarHBondContact O-N 3.49Å; F9-I44 HydrophobicContact CB-CG2 4.06Å; F9-I44 HydrophobicContact CD1-CD1 4.37Å; F9-I44 HydrophobicContact CD1-CG2 3.92Å; F9-I44 HydrophobicContact CD2-CD1 3.58Å; F9-I44 HydrophobicContact CE1-CD1 4.37Å; F9-I44 HydrophobicContact CE1-CG2 4.48Å; F9-I44 HydrophobicContact CE2-CD1 3.57Å; F9-I44 HydrophobicContact CG-CD1 3.98Å; F9-I44 HydrophobicContact CG-CG2 3.98Å; F9-I44 HydrophobicContact CZ-CD1 3.97Å; F9-A48 HydrophobicContact CB-CB 4.13Å; F9-A48 HydrophobicContact CD1-CB 4.35Å; F9-K49 WeakPolarHBondContact CA-O 3.38Å; F9-K50 HydrophobicContact CD1-CB 3.94Å; F9-K50 HydrophobicContact CD1-CG 4.12Å; F9-K50 HydrophobicContact CE1-CB 3.87Å; F9-K50 HydrophobicContact CE1-CD 3.85Å; F9-K50 HydrophobicContact CE1-CG 3.7Å; F9-K50 HydrophobicContact CZ-CD 4.2Å; F9-K50 HydrophobicContact CZ-CG 4.21Å
10I94.9Very high92.8Very high34 Ų3439.3 Ų39.317%0.17420%0.2CC..EExtended strand (participates in β ladder)trans-107.6119.7-179.5-62.2173.4000109.5L8 Y15 A48 K49 L94L8-I10 HydrophobicContact CD1-CG1 4.42Å; L8-I10 HydrophobicContact CD2-CD1 4.06Å; L8-I10 HydrophobicContact CD2-CG1 4.09Å; L8-I10 HydrophobicContact CG-CD1 4.48Å; L8-I10 HydrophobicContact CG-CG1 4.01Å; I10-Y15 HydrophobicContact CB-CD1 4.19Å; I10-Y15 HydrophobicContact CB-CE1 4.16Å; I10-Y15 HydrophobicContact CD1-CE1 4.5Å; I10-Y15 HydrophobicContact CG1-CD1 3.85Å; I10-Y15 HydrophobicContact CG1-CE1 3.89Å; I10-Y15 HydrophobicContact CG2-CD1 4.11Å; I10-Y15 HydrophobicContact CG2-CE1 3.64Å; I10-A48 WeakPolarHBondContact O-CA 3.35Å; I10-K49 HydrophobicContact CB-CB 4.46Å; I10-K49 PolarHBondContact N-O 3.16Å; I10-K49 PolarHBondContact O-N 3.27Å; I10-L94 HydrophobicContact CD1-CD2 4.21Å
11T93.1Very high92.5Very high5 Ų541.2 Ų41.23%0.03123%0.229CC..  trans-119.6166.5167.670.60000110.3D13 H14 F16 R30 P45 A48T11-D13 VanDerWaalsContact C-N 3.3Å; T11-D13 PolarHBondContact O-N 3.32Å; T11-H14 PolarHBondContact N-O 3Å; T11-H14 WeakPolarHBondContact OG1-CA 3.4Å; T11-H14 PolarHBondContact OG1-N 3.35Å; T11-H14 PolarHBondContact OG1-O 3.14Å; T11-F16 HydrophobicContact CG2-CE2 4.01Å; T11-R30 PolarHBondContact O-NH1 2.78Å; T11-R30 VanDerWaalsContact O-NH1 3.09Å; T11-P45 HydrophobicContact CG2-CB 4.33Å; T11-P45 HydrophobicContact CG2-CG 3.99Å; T11-A48 HydrophobicContact CG2-CB 3.55Å
12P89.6Confident93.2Very high62 Ų6234 Ų3440%0.40320%0.196SC..SBendtrans-56.4-41.3171.4-31.941.5000113.3R30 R98P12-R30 WeakPolarHBondContact O-CD 3.44Å; P12-R30 PolarHBondContact O-NH1 3.5Å; P12-R98 VanDerWaalsContact C-NE 3.25Å; P12-R98 VanDerWaalsContact C-NH2 3.27Å; P12-R98 VanDerWaalsContact O-CG 3.27Å; P12-R98 WeakPolarHBondContact O-CG 3.43Å; P12-R98 PolarHBondContact O-NE 2.83Å
13D90.8Very high93.2Very high64 Ų6441.8 Ų41.834%0.34223%0.229SC..SBendtrans-93.1-27-175.1-63.9-72000114.3T11 R30 R98T11-D13 VanDerWaalsContact C-N 3.3Å; T11-D13 PolarHBondContact O-N 3.32Å; D13-R30 WeakPolarHBondContact O-CB 3.37Å; D13-R30 PolarHBondContact O-N 2.76Å; D13-R98 VanDerWaalsContact CG-CZ 3.44Å; D13-R98 IonicContact OD1-CZ 2.86Å; D13-R98 IonicContact OD1-NE 3.8Å; D13-R98 IonicContact OD1-NH1 2.76Å; D13-R98 PolarHBondContact OD1-NH1 2.97Å; D13-R98 IonicContact OD1-NH2 2.69Å; D13-R98 PolarHBondContact OD1-NH2 3.48Å; D13-R98 IonicContact OD2-CZ 3.71Å; D13-R98 IonicContact OD2-NH2 2.72Å; D13-R98 PolarHBondContact OD2-NH2 2.83Å
14H93.7Very high93Very high57 Ų5739.5 Ų39.526%0.26422%0.22SC..EExtended strand (participates in β ladder)trans-142.9148.9-169.7-62.189.3000112.6T11 F16 I27 I28T11-H14 PolarHBondContact N-O 3Å; T11-H14 WeakPolarHBondContact OG1-CA 3.4Å; T11-H14 PolarHBondContact OG1-N 3.35Å; T11-H14 PolarHBondContact OG1-O 3.14Å; H14-F16 HydrophobicContact CB-CD2 4.2Å; H14-F16 HydrophobicContact CB-CE1 4.4Å; H14-F16 HydrophobicContact CB-CE2 3.48Å; H14-F16 VanDerWaalsContact CB-CE2 3.48Å; H14-F16 HydrophobicContact CB-CZ 3.6Å; H14-I27 HydrophobicContact CB-CG2 4.36Å; H14-I28 CarbonylContact C-O 3.58Å; H14-I28 WeakPolarHBondContact CA-O 3.25Å
15Y95.4Very high93.1Very high8 Ų837.2 Ų37.23%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-104.8130.7158.4-58-56.3000109.5F9 I10 I27 I28 R30 L94 P95 F96F9-Y15 WeakPolarHBondContact O-CA 3.49Å; I10-Y15 HydrophobicContact CB-CD1 4.19Å; I10-Y15 HydrophobicContact CB-CE1 4.16Å; I10-Y15 HydrophobicContact CD1-CE1 4.5Å; I10-Y15 HydrophobicContact CG1-CD1 3.85Å; I10-Y15 HydrophobicContact CG1-CE1 3.89Å; I10-Y15 HydrophobicContact CG2-CD1 4.11Å; I10-Y15 HydrophobicContact CG2-CE1 3.64Å; Y15-I27 CarbonylContact O-C 3.52Å; Y15-I27 WeakPolarHBondContact O-CA 3.22Å; Y15-I28 HydrophobicContact CD2-CB 4.36Å; Y15-I28 HydrophobicContact CD2-CG2 4.33Å; Y15-I28 PolarHBondContact N-O 3.31Å; Y15-I28 PolarHBondContact O-N 3.36Å; Y15-R30 HydrophobicContact CD2-CG 4.06Å; Y15-R30 HydrophobicContact CE2-CG 3.96Å; Y15-L94 HydrophobicContact CE2-CB 4.21Å; Y15-P95 WeakPolarHBondContact CE2-O 3.39Å; Y15-P95 PolarHBondContact OH-O 2.91Å; Y15-F96 HydrophobicContact CE2-CD1 4.48Å
16F95.5Very high92.9Very high12 Ų1234.4 Ų34.45%0.05319%0.194CC..EExtended strand (participates in β ladder)trans-112.4125.3173.6-51.2-100.4000108.8L8 F9 T11 H14 I26 I27 P42 I44L8-F16 CarbonylContact C-O 3.49Å; L8-F16 WeakPolarHBondContact CA-O 3.24Å; F9-F16 HydrophobicContact CB-CB 4.12Å; F9-F16 HydrophobicContact CB-CD2 4.21Å; F9-F16 HydrophobicContact CD2-CB 4.26Å; F9-F16 PolarHBondContact N-O 3.05Å; F9-F16 PolarHBondContact O-N 3.49Å; T11-F16 HydrophobicContact CG2-CE2 4.01Å; H14-F16 HydrophobicContact CB-CD2 4.2Å; H14-F16 HydrophobicContact CB-CE1 4.4Å; H14-F16 HydrophobicContact CB-CE2 3.48Å; H14-F16 VanDerWaalsContact CB-CE2 3.48Å; H14-F16 HydrophobicContact CB-CZ 3.6Å; F16-I26 CarbonylContact C-O 3.56Å; F16-I26 WeakPolarHBondContact CA-O 3.33Å; F16-I27 HydrophobicContact CD1-CB 4.33Å; F16-I27 HydrophobicContact CD1-CD1 4.08Å; F16-I27 HydrophobicContact CD1-CG1 3.8Å; F16-I27 HydrophobicContact CD1-CG2 3.89Å; F16-I27 HydrophobicContact CE1-CD1 4.03Å; F16-I27 HydrophobicContact CE1-CG1 4.16Å; F16-I27 HydrophobicContact CE1-CG2 3.7Å; F16-I27 HydrophobicContact CZ-CG2 4.39Å; F16-P42 HydrophobicContact CD1-CB 4.27Å; F16-P42 HydrophobicContact CD1-CG 3.76Å; F16-P42 HydrophobicContact CE1-CB 4.08Å; F16-P42 HydrophobicContact CE1-CG 4.09Å; F16-I44 HydrophobicContact CB-CD1 4.44Å; F16-I44 HydrophobicContact CD1-CG1 4.36Å; F16-I44 HydrophobicContact CG-CG1 4.31Å
17I95.7Very high92.8Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-119.1123179.2-57.3164.8000107.7Y6 T7 L8 I26 I28 I56 L68 W172Y6-I17 HydrophobicContact CD1-CG2 3.97Å; Y6-I17 HydrophobicContact CG-CG2 4.45Å; T7-I17 WeakPolarHBondContact O-CA 3.35Å; L8-I17 HydrophobicContact CD1-CG1 3.71Å; I17-I26 HydrophobicContact CB-CB 4.19Å; I17-I26 PolarHBondContact N-O 3.4Å; I17-I26 PolarHBondContact O-N 3.36Å; I17-I28 HydrophobicContact CD1-CD1 4.04Å; I17-I56 HydrophobicContact CD1-CD1 4.37Å; I17-I56 HydrophobicContact CG2-CD1 4.49Å; I17-L68 HydrophobicContact CD1-CD2 3.66Å; I17-W172 HydrophobicContact CD1-CH2 4.18Å
18N94.5Very high92.7Very high25 Ų2533.8 Ų33.813%0.13419%0.19CC..EExtended strand (participates in β ladder)trans-125.6123.8173175.1-100.4000109Y6 T7 S22 A24 F25Y6-N18 CarbonylContact C-O 3.55Å; Y6-N18 VanDerWaalsContact CA-O 3.24Å; Y6-N18 WeakPolarHBondContact CA-O 3.27Å; Y6-N18 WeakPolarHBondContact CB-O 3.43Å; T7-N18 PolarHBondContact N-O 2.91Å; T7-N18 PolarHBondContact O-N 3.36Å; N18-S22 PolarHBondContact ND2-O 3.02Å; N18-A24 PolarHBondContact ND2-O 3.47Å; N18-F25 HydrophobicContact CB-CD1 3.73Å; N18-F25 HydrophobicContact CB-CE1 3.58Å; N18-F25 HydrophobicContact CB-CG 4.39Å; N18-F25 HydrophobicContact CB-CZ 4.13Å
19A94Very high92.4Very high0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-75.8139.2173.400000110.2Y3 Y6 G21 S22 Y195Y3-A19 HydrophobicContact CD1-CB 3.7Å; Y3-A19 HydrophobicContact CD2-CB 3.52Å; Y3-A19 HydrophobicContact CE1-CB 4.11Å; Y3-A19 HydrophobicContact CE2-CB 3.95Å; Y3-A19 HydrophobicContact CG-CB 3.38Å; Y6-A19 HydrophobicContact CD1-CB 3.53Å; Y6-A19 HydrophobicContact CE1-CB 3.7Å; Y6-A19 HydrophobicContact CG-CB 4.38Å; A19-G21 PolarHBondContact O-N 3.1Å; A19-S22 WeakPolarHBondContact O-CB 3.19Å; A19-S22 PolarHBondContact O-N 3.39Å; A19-Y195 HydrophobicContact CB-CE1 3.82Å
20L91.9Very high92.2Very high105 Ų10534.7 Ų34.755%0.5519%0.194SC..THydrogen-bonded Turntrans-59.5123.1178.8-174.165.8000110E5 S22E5-L20 HydrophobicContact CB-CB 4.31Å; E5-L20 HydrophobicContact CB-CD2 4.39Å; E5-L20 WeakPolarHBondContact O-CB 3.25Å; E5-L20 PolarHBondContact O-N 3.32Å; L20-S22 VanDerWaalsContact C-N 3.32Å
21G87.1Confident91.7Very high79 Ų7937.8 Ų37.881%0.81421%0.214SC*.THydrogen-bonded Turntrans84.4-4.6-17600000115.1A19A19-G21 PolarHBondContact O-N 3.1Å
22S88.4Confident91.5Very high18 Ų1840 Ų4013%0.12623%0.23CC..  trans-90.8141.9171.8-157.60000111.6Y3 N18 A19 L20 A24 Y195Y3-S22 WeakPolarHBondContact OH-CB 3.08Å; Y3-S22 PolarHBondContact OH-OG 3.36Å; N18-S22 PolarHBondContact ND2-O 3.02Å; A19-S22 WeakPolarHBondContact O-CB 3.19Å; A19-S22 PolarHBondContact O-N 3.39Å; L20-S22 VanDerWaalsContact C-N 3.32Å; S22-A24 VanDerWaalsContact C-N 3.31Å; S22-A24 PolarHBondContact OG-N 2.85Å; S22-Y195 PolarHBondContact OG-OH 3.45Å
23K86.8Confident91.4Very high173 Ų17340 Ų4075%0.75222%0.224SC*.  trans-82-13.2168.9-64-173.6178.7-1760112.8
24A89Confident91.2Very high1 Ų142.3 Ų42.31%0.00823%0.233CC..  trans-79.8135-17800000110.9N18 S22 V37 E38 F39N18-A24 PolarHBondContact ND2-O 3.47Å; S22-A24 VanDerWaalsContact C-N 3.31Å; S22-A24 PolarHBondContact OG-N 2.85Å; A24-V37 HydrophobicContact CB-CG1 4.19Å; A24-E38 CarbonylContact C-O 3.58Å; A24-E38 WeakPolarHBondContact CA-O 3.26Å; A24-F39 HydrophobicContact CB-CD1 4.23Å; A24-F39 HydrophobicContact CB-CE1 3.94Å
25F91.8Very high91.1Very high18 Ų1839.9 Ų39.98%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-109.9120.8168.6-74.7-97.4000108.4N18 V37 E38 E41 P42 I44N18-F25 HydrophobicContact CB-CD1 3.73Å; N18-F25 HydrophobicContact CB-CE1 3.58Å; N18-F25 HydrophobicContact CB-CG 4.39Å; N18-F25 HydrophobicContact CB-CZ 4.13Å; F25-V37 WeakPolarHBondContact O-CA 3.1Å; F25-E38 PolarHBondContact N-O 3.05Å; F25-E38 PolarHBondContact O-N 2.87Å; F25-E41 HydrophobicContact CE1-CG 4.47Å; F25-E41 HydrophobicContact CE2-CB 4.06Å; F25-E41 HydrophobicContact CE2-CG 4.15Å; F25-E41 HydrophobicContact CZ-CB 4.25Å; F25-E41 HydrophobicContact CZ-CG 3.81Å; F25-P42 HydrophobicContact CB-CG 4.05Å; F25-P42 HydrophobicContact CD1-CG 3.89Å; F25-P42 HydrophobicContact CG-CG 3.95Å; F25-I44 HydrophobicContact CE1-CD1 4.22Å
26I93.1Very high90.8Very high0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-91.4117.5171.2-65.4164000107.5F16 I17 I28 L35 V37 W172 L176 Y195F16-I26 CarbonylContact C-O 3.56Å; F16-I26 WeakPolarHBondContact CA-O 3.33Å; I17-I26 HydrophobicContact CB-CB 4.19Å; I17-I26 PolarHBondContact N-O 3.4Å; I17-I26 PolarHBondContact O-N 3.36Å; I26-I28 HydrophobicContact CG2-CG1 4.48Å; I26-L35 HydrophobicContact CG2-CD1 3.66Å; I26-L35 HydrophobicContact CG2-CD2 3.79Å; I26-L35 HydrophobicContact CG2-CG 3.74Å; I26-V37 HydrophobicContact CG1-CG2 4.25Å; I26-W172 HydrophobicContact CD1-CZ2 4.06Å; I26-W172 HydrophobicContact CG2-CH2 3.83Å; I26-W172 HydrophobicContact CG2-CZ2 4.43Å; I26-L176 HydrophobicContact CD1-CD2 3.87Å; I26-L176 HydrophobicContact CG1-CD2 4.14Å; I26-L176 HydrophobicContact CG2-CD2 4.39Å; I26-Y195 HydrophobicContact CD1-CD1 3.36Å; I26-Y195 HydrophobicContact CD1-CD2 4.43Å; I26-Y195 HydrophobicContact CD1-CE1 3.43Å; I26-Y195 VanDerWaalsContact CD1-CE1 3.43Å; I26-Y195 HydrophobicContact CD1-CE2 4.48Å; I26-Y195 HydrophobicContact CD1-CG 3.91Å; I26-Y195 HydrophobicContact CG1-CE1 4.45Å
27I93.8Very high90.5Very high10 Ų1044.4 Ų44.45%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-110.8119.9-177-48-178.6000107.6H14 Y15 F16 L35 K36 E38 P42H14-I27 HydrophobicContact CB-CG2 4.36Å; Y15-I27 CarbonylContact O-C 3.52Å; Y15-I27 WeakPolarHBondContact O-CA 3.22Å; F16-I27 HydrophobicContact CD1-CB 4.33Å; F16-I27 HydrophobicContact CD1-CD1 4.08Å; F16-I27 HydrophobicContact CD1-CG1 3.8Å; F16-I27 HydrophobicContact CD1-CG2 3.89Å; F16-I27 HydrophobicContact CE1-CD1 4.03Å; F16-I27 HydrophobicContact CE1-CG1 4.16Å; F16-I27 HydrophobicContact CE1-CG2 3.7Å; F16-I27 HydrophobicContact CZ-CG2 4.39Å; I27-L35 CarbonylContact O-C 3.59Å; I27-L35 WeakPolarHBondContact O-CA 3.19Å; I27-K36 HydrophobicContact CB-CB 4.3Å; I27-K36 PolarHBondContact N-O 2.73Å; I27-K36 PolarHBondContact O-N 2.83Å; I27-E38 HydrophobicContact CD1-CB 4.26Å; I27-E38 VanDerWaalsContact CD1-CD 3.45Å; I27-E38 HydrophobicContact CD1-CG 3.93Å; I27-E38 VanDerWaalsContact CD1-OE2 3.31Å; I27-E38 WeakPolarHBondContact CD1-OE2 3.11Å; I27-P42 HydrophobicContact CD1-CB 3.9Å; I27-P42 HydrophobicContact CD1-CG 4.05Å
28I93.8Very high90.1Very high0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-104.9114.7174.4-58.3169.8000106.8H14 Y15 I17 I26 L35 L68 F96 W172H14-I28 CarbonylContact C-O 3.58Å; H14-I28 WeakPolarHBondContact CA-O 3.25Å; Y15-I28 HydrophobicContact CD2-CB 4.36Å; Y15-I28 HydrophobicContact CD2-CG2 4.33Å; Y15-I28 PolarHBondContact N-O 3.31Å; Y15-I28 PolarHBondContact O-N 3.36Å; I17-I28 HydrophobicContact CD1-CD1 4.04Å; I26-I28 HydrophobicContact CG2-CG1 4.48Å; I28-L35 HydrophobicContact CG1-CD1 4.24Å; I28-L35 HydrophobicContact CG1-CG 4.36Å; I28-L68 HydrophobicContact CD1-CD2 3.92Å; I28-F96 HydrophobicContact CB-CZ 4.5Å; I28-F96 HydrophobicContact CD1-CE1 4.11Å; I28-F96 HydrophobicContact CD1-CZ 3.96Å; I28-F96 HydrophobicContact CG1-CZ 4.4Å; I28-F96 HydrophobicContact CG2-CD1 4Å; I28-F96 HydrophobicContact CG2-CD2 3.71Å; I28-F96 HydrophobicContact CG2-CE1 3.69Å; I28-F96 HydrophobicContact CG2-CE2 3.39Å; I28-F96 HydrophobicContact CG2-CG 4.03Å; I28-F96 HydrophobicContact CG2-CZ 3.38Å; I28-W172 HydrophobicContact CD1-CH2 4.4Å; I28-W172 HydrophobicContact CD1-CZ3 4.16Å
29D91.3Very high89.8Confident26 Ų2649.8 Ų49.814%0.13927%0.267CS..EExtended strand (participates in β ladder)trans-81.2119.9172.9177.6-13.2000109.2V31 S32 Q33 E34D29-V31 VanDerWaalsContact C-N 3.29Å; D29-V31 PolarHBondContact O-N 2.69Å; D29-V31 WeakPolarHBondContact OD1-CA 3.09Å; D29-V31 WeakPolarHBondContact OD1-CB 3.35Å; D29-V31 PolarHBondContact OD1-N 2.72Å; D29-S32 VanDerWaalsContact CB-OG 3.25Å; D29-S32 WeakPolarHBondContact CB-OG 3.16Å; D29-S32 PolarHBondContact OD1-N 2.76Å; D29-S32 VanDerWaalsContact OD1-N 3.15Å; D29-S32 PolarHBondContact OD2-OG 3.3Å; D29-Q33 WeakPolarHBondContact O-CA 3.23Å; D29-Q33 PolarHBondContact O-N 3.38Å; D29-E34 PolarHBondContact N-O 3.38Å
30R91.1Very high89.3Confident31 Ų3157.6 Ų57.612%0.11730%0.304CS..THydrogen-bonded Turntrans-78.8-14.7-175.8-67.7-175.666.4-166.80.4113.3T11 P12 D13 Y15 F96 A97T11-R30 PolarHBondContact O-NH1 2.78Å; T11-R30 VanDerWaalsContact O-NH1 3.09Å; P12-R30 WeakPolarHBondContact O-CD 3.44Å; P12-R30 PolarHBondContact O-NH1 3.5Å; D13-R30 WeakPolarHBondContact O-CB 3.37Å; D13-R30 PolarHBondContact O-N 2.76Å; Y15-R30 HydrophobicContact CD2-CG 4.06Å; Y15-R30 HydrophobicContact CE2-CG 3.96Å; R30-F96 WeakPolarHBondContact CB-O 3.46Å; R30-F96 WeakPolarHBondContact CG-O 3.38Å; R30-F96 PolarHBondContact NE-O 2.9Å; R30-A97 PolarHBondContact NH2-O 3.45Å
31V85.8Confident89Confident99 Ų9960 Ų6060%0.631%0.312SS*.THydrogen-bonded Turntrans-89.2-53.4178.2-175.60000109.7D29D29-V31 VanDerWaalsContact C-N 3.29Å; D29-V31 PolarHBondContact O-N 2.69Å; D29-V31 WeakPolarHBondContact OD1-CA 3.09Å; D29-V31 WeakPolarHBondContact OD1-CB 3.35Å; D29-V31 PolarHBondContact OD1-N 2.72Å
32S88Confident88.9Confident53 Ų5356.9 Ų56.937%0.37128%0.278SS..THydrogen-bonded Turntrans-80.3-17.7178.961.10000113.5D29 E34D29-S32 VanDerWaalsContact CB-OG 3.25Å; D29-S32 WeakPolarHBondContact CB-OG 3.16Å; D29-S32 PolarHBondContact OD1-N 2.76Å; D29-S32 VanDerWaalsContact OD1-N 3.15Å; D29-S32 PolarHBondContact OD2-OG 3.3Å; S32-E34 PolarHBondContact O-N 2.89Å; S32-E34 PolarHBondContact OG-N 2.74Å
33Q87.3Confident89Confident60 Ų6060.9 Ų60.928%0.2831%0.312SS..  trans62.216.2-169.7-52.9-169.834.200113.6D29 F96D29-Q33 WeakPolarHBondContact O-CA 3.23Å; D29-Q33 PolarHBondContact O-N 3.38Å; Q33-F96 HydrophobicContact CB-CD2 3.98Å; Q33-F96 HydrophobicContact CG-CB 4.2Å; Q33-F96 HydrophobicContact CG-CD2 4.38Å
34E88.1Confident89Confident114 Ų11454.5 Ų54.553%0.53329%0.285SS..  trans-90.4151.6178-64.7-174.6167.100111.8D29 S32D29-E34 PolarHBondContact N-O 3.38Å; S32-E34 PolarHBondContact O-N 2.89Å; S32-E34 PolarHBondContact OG-N 2.74Å
35L90.2Very high89.1Confident6 Ų657 Ų573%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-101.4140.5171.3-166151.7000109.2I26 I27 I28 V37 W172 M175 L176 T179I26-L35 HydrophobicContact CG2-CD1 3.66Å; I26-L35 HydrophobicContact CG2-CD2 3.79Å; I26-L35 HydrophobicContact CG2-CG 3.74Å; I27-L35 CarbonylContact O-C 3.59Å; I27-L35 WeakPolarHBondContact O-CA 3.19Å; I28-L35 HydrophobicContact CG1-CD1 4.24Å; I28-L35 HydrophobicContact CG1-CG 4.36Å; L35-V37 HydrophobicContact CD2-CG2 3.66Å; L35-W172 HydrophobicContact CD1-CE3 4.19Å; L35-W172 HydrophobicContact CD1-CH2 3.64Å; L35-W172 HydrophobicContact CD1-CZ3 3.41Å; L35-W172 VanDerWaalsContact CD1-CZ3 3.41Å; L35-M175 HydrophobicContact CB-CE 3.77Å; L35-M175 HydrophobicContact CB-CG 3.89Å; L35-M175 HydrophobicContact CB-SD 4.37Å; L35-M175 HydrophobicContact CD1-CE 3.6Å; L35-M175 HydrophobicContact CD1-CG 4.43Å; L35-M175 HydrophobicContact CG-CE 4.31Å; L35-L176 HydrophobicContact CD1-CD2 3.87Å; L35-L176 HydrophobicContact CD1-CG 4.41Å; L35-L176 HydrophobicContact CD2-CD2 3.72Å; L35-L176 HydrophobicContact CG-CD2 4.49Å; L35-T179 HydrophobicContact CD2-CG2 3.85Å; L35-T179 WeakPolarHBondContact O-CB 3.38Å; L35-T179 WeakPolarHBondContact O-CG2 3.35Å; L35-T179 PolarHBondContact O-OG1 3.15Å
36K89.3Confident88.8Confident95 Ų9564.9 Ų64.941%0.41334%0.343SS..EExtended strand (participates in β ladder)trans-125.4142.9172.2-69.4177.2-174.3167.20109.6I27I27-K36 HydrophobicContact CB-CB 4.3Å; I27-K36 PolarHBondContact N-O 2.73Å; I27-K36 PolarHBondContact O-N 2.83Å
37V89.2Confident88.6Confident19 Ų1971 Ų7112%0.11537%0.374CS..EExtended strand (participates in β ladder)trans-119.2117.5174.2-176.70000107.8A24 F25 I26 L35 F39 L176 T179 W190A24-V37 HydrophobicContact CB-CG1 4.19Å; F25-V37 WeakPolarHBondContact O-CA 3.1Å; I26-V37 HydrophobicContact CG1-CG2 4.25Å; L35-V37 HydrophobicContact CD2-CG2 3.66Å; V37-F39 HydrophobicContact CG1-CE2 4.33Å; V37-F39 HydrophobicContact CG1-CZ 4.32Å; V37-L176 HydrophobicContact CG2-CD2 4.36Å; V37-T179 HydrophobicContact CB-CG2 4.4Å; V37-T179 HydrophobicContact CG2-CG2 3.98Å; V37-W190 HydrophobicContact CG2-CZ2 4.48Å
38E88.2Confident88.5Confident83 Ų8371.3 Ų71.339%0.38838%0.378SS..EExtended strand (participates in β ladder)trans-116.6151.3179.6-66-177.2-179.700109.8A24 F25 I27A24-E38 CarbonylContact C-O 3.58Å; A24-E38 WeakPolarHBondContact CA-O 3.26Å; F25-E38 PolarHBondContact N-O 3.05Å; F25-E38 PolarHBondContact O-N 2.87Å; I27-E38 HydrophobicContact CD1-CB 4.26Å; I27-E38 VanDerWaalsContact CD1-CD 3.45Å; I27-E38 HydrophobicContact CD1-CG 3.93Å; I27-E38 VanDerWaalsContact CD1-OE2 3.31Å; I27-E38 WeakPolarHBondContact CD1-OE2 3.11Å
39F86.8Confident88.5Confident55 Ų5578.2 Ų78.224%0.24141%0.408CS..SBendtrans-112.8-10-179.5-67.2-86.7000113A24 V37 H184 W190A24-F39 HydrophobicContact CB-CD1 4.23Å; A24-F39 HydrophobicContact CB-CE1 3.94Å; V37-F39 HydrophobicContact CG1-CE2 4.33Å; V37-F39 HydrophobicContact CG1-CZ 4.32Å; F39-H184 AromaticContact CD2-CE1 4Å; F39-H184 AromaticContact CD2-ND1 3.51Å; F39-H184 HydrophobicContact CE2-CB 3.84Å; F39-H184 AromaticContact CE2-CG 3.82Å; F39-H184 AromaticContact CE2-ND1 3.6Å; F39-W190 HydrophobicContact CE1-CB 3.81Å; F39-W190 HydrophobicContact CE1-CG 4.18Å; F39-W190 HydrophobicContact CZ-CB 3.72Å; F39-W190 AromaticContact CZ-CG 3.84Å; F39-W190 HydrophobicContact CZ-CG 3.84Å
40E85Confident88.6Confident165 Ų16583.4 Ų83.477%0.77143%0.43SS*.SBendtrans-92.1144.5166.7-65.5-178178.500107.4P42E40-P42 WeakPolarHBondContact O-CD 3.47Å; E40-P42 VanDerWaalsContact O-N 3.12Å
41E84.8Confident88.9Confident154 Ų15485.3 Ų85.372%0.7244%0.44SS*.  trans-64.2115.2178.5-176.3168.7-16900108.7F25F25-E41 HydrophobicContact CE1-CG 4.47Å; F25-E41 HydrophobicContact CE2-CB 4.06Å; F25-E41 HydrophobicContact CE2-CG 4.15Å; F25-E41 HydrophobicContact CZ-CB 4.25Å; F25-E41 HydrophobicContact CZ-CG 3.81Å
42P86.5Confident89.4Confident15 Ų1582.9 Ų82.910%0.09743%0.425CS..  trans-68.1155.6-178.327.9-32.9000109.6F16 F25 I27 E40 I44F16-P42 HydrophobicContact CD1-CB 4.27Å; F16-P42 HydrophobicContact CD1-CG 3.76Å; F16-P42 HydrophobicContact CE1-CB 4.08Å; F16-P42 HydrophobicContact CE1-CG 4.09Å; F25-P42 HydrophobicContact CB-CG 4.05Å; F25-P42 HydrophobicContact CD1-CG 3.89Å; F25-P42 HydrophobicContact CG-CG 3.95Å; I27-P42 HydrophobicContact CD1-CB 3.9Å; I27-P42 HydrophobicContact CD1-CG 4.05Å; E40-P42 WeakPolarHBondContact O-CD 3.47Å; E40-P42 VanDerWaalsContact O-N 3.12Å; P42-I44 VanDerWaalsContact C-N 3.29Å; P42-I44 HydrophobicContact CG-CG1 4.21Å; P42-I44 PolarHBondContact O-N 3.18Å
43A88.8Confident89.9Confident101 Ų10180.4 Ų80.484%0.83541%0.408SS*.  trans-70.185.2174.500000110.6P45A43-P45 WeakPolarHBondContact O-CD 3.36Å
44I88.2Confident90.3Very high40 Ų4080.6 Ų80.621%0.20541%0.406CS..  trans-72.4122.3179.9-57.9177.4000109F9 F16 F25 P42 A48F9-I44 HydrophobicContact CB-CG2 4.06Å; F9-I44 HydrophobicContact CD1-CD1 4.37Å; F9-I44 HydrophobicContact CD1-CG2 3.92Å; F9-I44 HydrophobicContact CD2-CD1 3.58Å; F9-I44 HydrophobicContact CE1-CD1 4.37Å; F9-I44 HydrophobicContact CE1-CG2 4.48Å; F9-I44 HydrophobicContact CE2-CD1 3.57Å; F9-I44 HydrophobicContact CG-CD1 3.98Å; F9-I44 HydrophobicContact CG-CG2 3.98Å; F9-I44 HydrophobicContact CZ-CD1 3.97Å; F16-I44 HydrophobicContact CB-CD1 4.44Å; F16-I44 HydrophobicContact CD1-CG1 4.36Å; F16-I44 HydrophobicContact CG-CG1 4.31Å; F25-I44 HydrophobicContact CE1-CD1 4.22Å; P42-I44 VanDerWaalsContact C-N 3.29Å; P42-I44 HydrophobicContact CG-CG1 4.21Å; P42-I44 PolarHBondContact O-N 3.18Å; I44-A48 HydrophobicContact CG2-CB 3.65Å
45P89.5Confident90.7Very high54 Ų5475.1 Ų75.135%0.35138%0.381SS..  trans-58.7142.3179.3-2635000112.7T11 A43 I47 A48T11-P45 HydrophobicContact CG2-CB 4.33Å; T11-P45 HydrophobicContact CG2-CG 3.99Å; A43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-I47 HydrophobicContact CB-CG1 3.77Å; P45-I47 PolarHBondContact O-N 3.49Å; P45-I47 VanDerWaalsContact O-N 3.11Å; P45-A48 WeakPolarHBondContact O-CB 3.28Å; P45-A48 PolarHBondContact O-N 3.43Å
46I85.8Confident91Very high183 Ų18374.9 Ų74.994%0.93838%0.379SS*.THydrogen-bonded Turntrans-58.6-29.1178.6-60.4169.7000111.8A48I46-A48 PolarHBondContact O-N 3.48Å
47I89Confident91.3Very high127 Ų12770.5 Ų70.565%0.65136%0.36SS*.THydrogen-bonded Turntrans-70.8-8.8176.960.3165.1000113.8P45 K49P45-I47 HydrophobicContact CB-CG1 3.77Å; P45-I47 PolarHBondContact O-N 3.49Å; P45-I47 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 3.05Å
48A91.6Very high91.7Very high18 Ų1869.6 Ų69.615%0.14936%0.355CS..  trans-66.1127.4-174.300000111.2F9 I10 T11 I44 P45 I46 K50F9-A48 HydrophobicContact CB-CB 4.13Å; F9-A48 HydrophobicContact CD1-CB 4.35Å; I10-A48 WeakPolarHBondContact O-CA 3.35Å; T11-A48 HydrophobicContact CG2-CB 3.55Å; I44-A48 HydrophobicContact CG2-CB 3.65Å; P45-A48 WeakPolarHBondContact O-CB 3.28Å; P45-A48 PolarHBondContact O-N 3.43Å; I46-A48 PolarHBondContact O-N 3.48Å; A48-K50 PolarHBondContact O-N 2.9Å
49K93.9Very high92.1Very high144 Ų14465.7 Ų65.763%0.62634%0.337SS*.EExtended strand (participates in β ladder)trans-78115.8174.2-66.9-178.4-178.8178.40108.9F9 I10 I47F9-K49 WeakPolarHBondContact CA-O 3.38Å; I10-K49 HydrophobicContact CB-CB 4.46Å; I10-K49 PolarHBondContact N-O 3.16Å; I10-K49 PolarHBondContact O-N 3.27Å; I47-K49 PolarHBondContact O-N 3.05Å
50K95Very high92.5Very high136 Ų13664.4 Ų64.459%0.59133%0.333SS*.EExtended strand (participates in β ladder)trans-84.5128.1177.4-175.4179.6178.8174.10111.1T7 L8 F9 A48T7-K50 HydrophobicContact CG2-CD 4.11Å; T7-K50 VanDerWaalsContact CG2-CE 3.47Å; T7-K50 HydrophobicContact CG2-CG 3.69Å; L8-K50 CarbonylContact O-C 3.6Å; F9-K50 HydrophobicContact CD1-CB 3.94Å; F9-K50 HydrophobicContact CD1-CG 4.12Å; F9-K50 HydrophobicContact CE1-CB 3.87Å; F9-K50 HydrophobicContact CE1-CD 3.85Å; F9-K50 HydrophobicContact CE1-CG 3.7Å; F9-K50 HydrophobicContact CZ-CD 4.2Å; F9-K50 HydrophobicContact CZ-CG 4.21Å; A48-K50 PolarHBondContact O-N 2.9Å
51H96.2Very high92.9Very high70 Ų7065.4 Ų65.432%0.32433%0.33SS..EExtended strand (participates in β ladder)trans-135.6133.4-178.9-72.35.6000110.2L8L8-H51 HydrophobicContact CB-CB 4.42Å; L8-H51 PolarHBondContact N-O 2.87Å; L8-H51 PolarHBondContact O-N 3.38Å
52T97Very high93.3Very high49 Ų4959.6 Ų59.630%0.30130%0.304SS..EExtended strand (participates in β ladder)trans-80137.2166.7-50.10000110E5 Y6 Y54 K72E5-T52 HydrophobicContact CG-CG2 3.64Å; Y6-T52 WeakPolarHBondContact O-CA 3.39Å; T52-Y54 HydrophobicContact CG2-CE1 4.17Å; T52-K72 WeakPolarHBondContact O-CD 3.5Å; T52-K72 PolarHBondContact O-NZ 3.38Å
53I97.3Very high93.7Very high1 Ų161.2 Ų61.21%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-132.4158.8171.165.3174.4000108.6Y6 L8 V70 I71 K72Y6-I53 HydrophobicContact CD2-CG1 4.28Å; Y6-I53 HydrophobicContact CG-CG1 4.25Å; Y6-I53 PolarHBondContact N-O 3.21Å; Y6-I53 PolarHBondContact O-N 2.78Å; L8-I53 HydrophobicContact CB-CD1 4.15Å; L8-I53 HydrophobicContact CB-CG1 4.4Å; L8-I53 HydrophobicContact CB-CG2 4.22Å; L8-I53 HydrophobicContact CD2-CG2 4.2Å; I53-V70 HydrophobicContact CB-CB 4.42Å; I53-V70 HydrophobicContact CD1-CB 4.01Å; I53-V70 HydrophobicContact CD1-CG1 3.79Å; I53-V70 HydrophobicContact CG2-CB 4.23Å; I53-V70 HydrophobicContact CG2-CG2 3.96Å; I53-I71 CarbonylContact C-O 3.53Å; I53-I71 WeakPolarHBondContact CA-O 3.36Å; I53-I71 WeakPolarHBondContact CB-O 3.05Å; I53-K72 HydrophobicContact CG2-CD 4.33Å
54Y97.2Very high93.7Very high63 Ų6356.6 Ų56.625%0.24728%0.275CS..  trans-116.76.9-171.7-59-72.9000114.7D4 E5 T52 I71 K72 R74 Y129D4-Y54 CarbonylContact O-C 3.56Å; D4-Y54 WeakPolarHBondContact O-CA 3.5Å; E5-Y54 HydrophobicContact CB-CD1 4.48Å; E5-Y54 HydrophobicContact CG-CD1 4.31Å; E5-Y54 HydrophobicContact CG-CE1 4.28Å; T52-Y54 HydrophobicContact CG2-CE1 4.17Å; Y54-I71 PolarHBondContact N-O 3.22Å; Y54-K72 WeakPolarHBondContact CD2-O 3.5Å; Y54-K72 VanDerWaalsContact CE2-O 3.31Å; Y54-K72 WeakPolarHBondContact CE2-O 3.37Å; Y54-R74 HydrophobicContact CD1-CG 4.39Å; Y54-R74 VanDerWaalsContact CD1-NE 3.33Å; Y54-R74 HydrophobicContact CD2-CG 3.96Å; Y54-R74 HydrophobicContact CE2-CG 4.43Å; Y54-R74 HydrophobicContact CG-CG 3.94Å; Y54-Y129 WeakPolarHBondContact CB-OH 3.11Å; Y54-Y129 PolarHBondContact O-OH 3.01Å
55G96Very high93.9Very high0 Ų055.1 Ų55.10%027%0.269CS..EExtended strand (participates in β ladder)trans161.6166.8-179.600000111.9I71G55-I71 PolarHBondContact O-N 3.17Å
56I96.5Very high94.1Very high0 Ų054.4 Ų54.40%026%0.261CS..EExtended strand (participates in β ladder)trans-116.4121.9-178.6-61.3173.4000107.1I17 G58 L68 W172I17-I56 HydrophobicContact CD1-CD1 4.37Å; I17-I56 HydrophobicContact CG2-CD1 4.49Å; I56-G58 VanDerWaalsContact C-N 3.32Å; I56-L68 HydrophobicContact CG2-CD1 3.69Å; I56-W172 HydrophobicContact CD1-CH2 4.13Å; I56-W172 HydrophobicContact CD1-CZ2 3.4Å; I56-W172 VanDerWaalsContact CD1-CZ2 3.4Å; I56-W172 HydrophobicContact CG2-CD2 4.19Å; I56-W172 HydrophobicContact CG2-CG 4.33Å
57W96.1Very high94.6Very high3 Ų346.4 Ų46.41%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-66.5-41.5172.2-86.988.2000110.6I69 I88 S91 L122 F127 N165 L168 L169 I199W57-I69 HydrophobicContact CB-CB 3.69Å; W57-I69 HydrophobicContact CB-CG2 3.59Å; W57-I69 WeakPolarHBondContact CB-O 3.43Å; W57-I69 HydrophobicContact CD2-CG2 4.49Å; W57-I69 HydrophobicContact CG-CB 4.32Å; W57-I69 HydrophobicContact CG-CG2 3.66Å; W57-I69 PolarHBondContact N-O 3.18Å; W57-I88 HydrophobicContact CZ2-CD1 3.75Å; W57-S91 PolarHBondContact NE1-OG 3.04Å; W57-L122 HydrophobicContact CD2-CD2 3.93Å; W57-L122 HydrophobicContact CE3-CD2 4.18Å; W57-L122 HydrophobicContact CG-CD2 4.48Å; W57-L122 HydrophobicContact CH2-CD2 4.19Å; W57-L122 HydrophobicContact CZ2-CD2 3.93Å; W57-L122 HydrophobicContact CZ3-CD2 4.32Å; W57-F127 HydrophobicContact CH2-CB 4.12Å; W57-F127 AromaticContact CH2-CD1 3.55Å; W57-F127 HydrophobicContact CH2-CD1 3.55Å; W57-F127 AromaticContact CH2-CD2 3.81Å; W57-F127 HydrophobicContact CH2-CD2 3.81Å; W57-F127 AromaticContact CH2-CE1 3.78Å; W57-F127 HydrophobicContact CH2-CE1 3.78Å; W57-F127 HydrophobicContact CH2-CE2 4.02Å; W57-F127 AromaticContact CH2-CG 3.55Å; W57-F127 HydrophobicContact CH2-CG 3.55Å; W57-F127 AromaticContact CH2-CZ 4Å; W57-F127 HydrophobicContact CH2-CZ 4Å; W57-F127 HydrophobicContact CZ2-CB 4.15Å; W57-F127 HydrophobicContact CZ2-CD1 4.36Å; W57-F127 AromaticContact CZ2-CD2 3.94Å; W57-F127 HydrophobicContact CZ2-CD2 3.94Å; W57-F127 HydrophobicContact CZ2-CE2 4.4Å; W57-F127 AromaticContact CZ2-CG 3.9Å; W57-F127 HydrophobicContact CZ2-CG 3.9Å; W57-F127 HydrophobicContact CZ3-CD1 4.45Å; W57-F127 HydrophobicContact CZ3-CE1 4.46Å; W57-N165 HydrophobicContact CE3-CB 3.6Å; W57-N165 HydrophobicContact CZ3-CB 3.99Å; W57-N165 PolarHBondContact O-ND2 2.91Å; W57-L168 HydrophobicContact CB-CD1 4.47Å; W57-L168 HydrophobicContact CE3-CD1 4.26Å; W57-L169 WeakPolarHBondContact O-CD2 3.37Å; W57-L169 WeakPolarHBondContact O-CG 3.2Å; W57-I199 HydrophobicContact CD2-CD1 3.45Å; W57-I199 VanDerWaalsContact CD2-CD1 3.45Å; W57-I199 HydrophobicContact CE3-CD1 3.63Å; W57-I199 HydrophobicContact CG-CD1 3.93Å; W57-I199 HydrophobicContact CH2-CD1 4.15Å; W57-I199 HydrophobicContact CH2-CG2 3.96Å; W57-I199 HydrophobicContact CZ2-CD1 4.02Å; W57-I199 HydrophobicContact CZ2-CG2 4.39Å; W57-I199 HydrophobicContact CZ3-CD1 3.96Å; W57-I199 HydrophobicContact CZ3-CG2 4.25Å
58G96.7Very high94.9Very high0 Ų040.3 Ų40.30%019%0.188CC..EExtended strand (participates in β ladder)trans138.9-159.8179.400000111.3I56 I69 L168I56-G58 VanDerWaalsContact C-N 3.32Å; G58-I69 PolarHBondContact O-N 2.54Å; G58-L168 VanDerWaalsContact CA-O 3.32Å; G58-L168 WeakPolarHBondContact CA-O 3.32Å
59L96.1Very high95.2Very high1 Ų139.5 Ų39.51%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-108.7146.8176.7-62.4173.8000111.2F66 Y67 L68 F96 L168 E171 W172 M175L59-F66 HydrophobicContact CB-CD1 4.37Å; L59-Y67 WeakPolarHBondContact CA-O 3.31Å; L59-L68 HydrophobicContact CD2-CB 4.07Å; L59-L68 HydrophobicContact CD2-CD1 3.91Å; L59-F96 HydrophobicContact CD2-CE1 4.04Å; L59-F96 HydrophobicContact CD2-CZ 3.66Å; L59-L168 PolarHBondContact N-O 2.92Å; L59-L168 WeakPolarHBondContact O-CA 3.35Å; L59-L168 WeakPolarHBondContact O-CD2 3.45Å; L59-E171 HydrophobicContact CB-CB 4.02Å; L59-W172 HydrophobicContact CD1-CB 4.49Å; L59-W172 HydrophobicContact CD1-CE3 3.87Å; L59-W172 HydrophobicContact CD2-CE3 3.89Å; L59-W172 HydrophobicContact CD2-CZ3 4.27Å; L59-W172 HydrophobicContact CG-CB 4.16Å; L59-W172 HydrophobicContact CG-CE3 3.71Å; L59-M175 HydrophobicContact CD1-CB 4.12Å; L59-M175 HydrophobicContact CD1-CE 3.33Å; L59-M175 HydrophobicContact CD1-SD 3.69Å; L59-M175 HydrophobicContact CD2-CE 4.3Å; L59-M175 HydrophobicContact CG-CE 4.42Å
60V95.3Very high95.4Very high28 Ų2832.7 Ų32.717%0.1715%0.151CC..EExtended strand (participates in β ladder)trans-130.1142.6166.564.60000109L62 F66 Y67 I69 L118 L168V60-L62 HydrophobicContact CG1-CG 4.47Å; V60-L62 HydrophobicContact CG2-CD2 4.06Å; V60-F66 CarbonylContact O-C 3.59Å; V60-F66 WeakPolarHBondContact O-CA 3.35Å; V60-Y67 PolarHBondContact N-O 2.56Å; V60-Y67 PolarHBondContact O-N 2.88Å; V60-I69 HydrophobicContact CB-CD1 4.41Å; V60-I69 HydrophobicContact CG1-CD1 3.9Å; V60-I69 HydrophobicContact CG1-CG1 4.32Å; V60-L118 HydrophobicContact CG1-CD2 3.8Å; V60-L168 HydrophobicContact CB-CD2 3.78Å; V60-L168 HydrophobicContact CG2-CD2 4.27Å
61R94.3Very high95.5Very high187 Ų18726.2 Ų26.271%0.70612%0.123SC*.EExtended strand (participates in β ladder)trans-100.9120173.4-172.4174.2178.4173.51.3109.5F66R61-F66 HydrophobicContact CB-CD1 4.04Å; R61-F66 HydrophobicContact CB-CE1 3.97Å; R61-F66 HydrophobicContact CG-CE1 4.43Å
62L93.5Very high95.5Very high31 Ų3125.4 Ų25.416%0.16212%0.118CC..EExtended strand (participates in β ladder)trans-109.1-163.3171.6-54.1-176.3000109.5V60 G65 Y67 E111V60-L62 HydrophobicContact CG1-CG 4.47Å; V60-L62 HydrophobicContact CG2-CD2 4.06Å; L62-G65 PolarHBondContact N-O 3.37Å; L62-G65 PolarHBondContact O-N 3.12Å; L62-Y67 HydrophobicContact CB-CD2 4.03Å; L62-Y67 HydrophobicContact CB-CE2 3.81Å; L62-Y67 HydrophobicContact CD1-CD2 3.79Å; L62-Y67 HydrophobicContact CD1-CE2 3.7Å; L62-Y67 HydrophobicContact CD1-CG 4.32Å; L62-Y67 HydrophobicContact CG-CD2 3.84Å; L62-Y67 HydrophobicContact CG-CE2 3.98Å; L62-E111 VanDerWaalsContact CB-OE2 3.23Å; L62-E111 WeakPolarHBondContact CB-OE2 3.45Å
63V93Very high95.5Very high50 Ų5027.1 Ų27.130%0.30312%0.123SC..THydrogen-bonded Turntrans-68.8-40.2-174.6-169.50000111G65 L103 Q107 D110 E111 Y114V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 2.63Å; V63-L103 HydrophobicContact CG1-CD1 4.45Å; V63-L103 HydrophobicContact CG1-CD2 4Å; V63-Q107 HydrophobicContact CG1-CB 3.77Å; V63-Q107 HydrophobicContact CG1-CG 3.8Å; V63-D110 HydrophobicContact CG2-CB 4.32Å; V63-E111 WeakPolarHBondContact CA-OE2 3.48Å; V63-E111 HydrophobicContact CB-CB 4.43Å; V63-E111 WeakPolarHBondContact CB-OE2 3.45Å; V63-E111 WeakPolarHBondContact CG2-OE2 3.22Å; V63-E111 PolarHBondContact N-OE2 3.48Å; V63-Y114 HydrophobicContact CG2-CD2 3.9Å; V63-Y114 HydrophobicContact CG2-CE2 3.76Å
64S90.4Very high95.5Very high4 Ų429.2 Ų29.23%0.02813%0.131CC..THydrogen-bonded Turntrans-76.6-10.2178.168.60000114.7Y67 E111S64-Y67 VanDerWaalsContact OG-CE2 3.26Å; S64-Y67 WeakPolarHBondContact OG-CE2 3.36Å; S64-Y67 PolarHBondContact OG-OH 2.97Å; S64-E111 VanDerWaalsContact CB-OE1 3.24Å; S64-E111 WeakPolarHBondContact CB-OE1 2.92Å; S64-E111 PolarHBondContact N-OE1 3.28Å; S64-E111 PolarHBondContact N-OE2 2.86Å; S64-E111 PolarHBondContact OG-OE1 2.96Å
65G91.9Very high95.5Very high8 Ų832.9 Ų32.98%0.08215%0.148CC..EExtended strand (participates in β ladder)trans124.2-150.2-176.800000112.8L62 V63L62-G65 PolarHBondContact N-O 3.37Å; L62-G65 PolarHBondContact O-N 3.12Å; V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 2.63Å
66F94.3Very high95.6Very high39 Ų3939.4 Ų39.417%0.17117%0.173CC..EExtended strand (participates in β ladder)trans-77.7144.2-176.6-72.6-73.5000113.1L59 V60 R61 F96L59-F66 HydrophobicContact CB-CD1 4.37Å; V60-F66 CarbonylContact O-C 3.59Å; V60-F66 WeakPolarHBondContact O-CA 3.35Å; R61-F66 HydrophobicContact CB-CD1 4.04Å; R61-F66 HydrophobicContact CB-CE1 3.97Å; R61-F66 HydrophobicContact CG-CE1 4.43Å; F66-F96 HydrophobicContact CB-CD1 4.24Å; F66-F96 HydrophobicContact CB-CD2 3.57Å; F66-F96 HydrophobicContact CB-CE1 4.34Å; F66-F96 HydrophobicContact CB-CE2 3.68Å; F66-F96 HydrophobicContact CB-CG 3.86Å; F66-F96 HydrophobicContact CB-CZ 4.08Å; F66-F96 HydrophobicContact CG-CE2 4.42Å; F66-F96 VanDerWaalsContact O-CB 3.28Å; F66-F96 WeakPolarHBondContact O-CB 3.32Å; F66-F96 WeakPolarHBondContact O-CD1 3.35Å; F66-F96 WeakPolarHBondContact O-CG 3.37Å; F66-F96 PolarHBondContact O-N 3.39Å
67Y95.3Very high95.6Very high15 Ų1541.6 Ų41.66%0.05919%0.186CC..EExtended strand (participates in β ladder)trans-123.5133.1169.5-75.1-105.6000109L59 V60 L62 S64 I93 L94 P95 E111L59-Y67 WeakPolarHBondContact CA-O 3.31Å; V60-Y67 PolarHBondContact N-O 2.56Å; V60-Y67 PolarHBondContact O-N 2.88Å; L62-Y67 HydrophobicContact CB-CD2 4.03Å; L62-Y67 HydrophobicContact CB-CE2 3.81Å; L62-Y67 HydrophobicContact CD1-CD2 3.79Å; L62-Y67 HydrophobicContact CD1-CE2 3.7Å; L62-Y67 HydrophobicContact CD1-CG 4.32Å; L62-Y67 HydrophobicContact CG-CD2 3.84Å; L62-Y67 HydrophobicContact CG-CE2 3.98Å; S64-Y67 VanDerWaalsContact OG-CE2 3.26Å; S64-Y67 WeakPolarHBondContact OG-CE2 3.36Å; S64-Y67 PolarHBondContact OG-OH 2.97Å; Y67-I93 HydrophobicContact CD1-CG2 3.44Å; Y67-I93 VanDerWaalsContact CD1-CG2 3.44Å; Y67-I93 HydrophobicContact CE1-CG2 4.29Å; Y67-I93 HydrophobicContact CG-CG2 4.03Å; Y67-L94 CarbonylContact C-O 3.52Å; Y67-L94 WeakPolarHBondContact CA-O 3.35Å; Y67-P95 VanDerWaalsContact CD1-CA 3.41Å; Y67-P95 HydrophobicContact CD1-CB 3.79Å; Y67-P95 HydrophobicContact CD1-CG 4.5Å; Y67-P95 HydrophobicContact CE1-CB 3.38Å; Y67-P95 HydrophobicContact CE1-CG 4.06Å; Y67-P95 HydrophobicContact CE2-CB 4.48Å; Y67-E111 WeakPolarHBondContact CE2-OE1 3.39Å; Y67-E111 PolarHBondContact OH-OE1 2.91Å
68L96.4Very high95.6Very high0 Ų041.9 Ų41.90%019%0.19CC..EExtended strand (participates in β ladder)trans-89.6128.6168.2175.473.4000109.6I17 I28 I56 L59 V70 L94 F96 W172I17-L68 HydrophobicContact CD1-CD2 3.66Å; I28-L68 HydrophobicContact CD1-CD2 3.92Å; I56-L68 HydrophobicContact CG2-CD1 3.69Å; L59-L68 HydrophobicContact CD2-CB 4.07Å; L59-L68 HydrophobicContact CD2-CD1 3.91Å; L68-V70 HydrophobicContact CD1-CG1 4.38Å; L68-V70 HydrophobicContact CD2-CG1 3.68Å; L68-V70 HydrophobicContact CG-CG1 3.71Å; L68-L94 HydrophobicContact CB-CB 4.38Å; L68-L94 HydrophobicContact CD2-CD1 4.29Å; L68-L94 PolarHBondContact N-O 3.48Å; L68-L94 WeakPolarHBondContact O-CB 3.09Å; L68-L94 PolarHBondContact O-N 3.37Å; L68-F96 HydrophobicContact CB-CE1 3.82Å; L68-W172 HydrophobicContact CD1-CE3 4.2Å; L68-W172 HydrophobicContact CD1-CH2 4.39Å; L68-W172 HydrophobicContact CD1-CZ3 3.97Å
69I97.5Very high95.6Very high0 Ų045.7 Ų45.70%021%0.208CC..EExtended strand (participates in β ladder)trans-106.2124.6174.6-52.7168.8000108.5W57 G58 V60 V92 I93 L118 L122 L168W57-I69 HydrophobicContact CB-CB 3.69Å; W57-I69 HydrophobicContact CB-CG2 3.59Å; W57-I69 WeakPolarHBondContact CB-O 3.43Å; W57-I69 HydrophobicContact CD2-CG2 4.49Å; W57-I69 HydrophobicContact CG-CB 4.32Å; W57-I69 HydrophobicContact CG-CG2 3.66Å; W57-I69 PolarHBondContact N-O 3.18Å; G58-I69 PolarHBondContact O-N 2.54Å; V60-I69 HydrophobicContact CB-CD1 4.41Å; V60-I69 HydrophobicContact CG1-CD1 3.9Å; V60-I69 HydrophobicContact CG1-CG1 4.32Å; I69-V92 WeakPolarHBondContact CA-O 3.5Å; I69-I93 HydrophobicContact CG1-CG2 4.32Å; I69-L118 HydrophobicContact CD1-CD1 4.08Å; I69-L118 HydrophobicContact CD1-CD2 3.92Å; I69-L118 HydrophobicContact CD1-CG 4.37Å; I69-L122 HydrophobicContact CD1-CD1 4.29Å; I69-L122 HydrophobicContact CG2-CD1 3.59Å; I69-L122 HydrophobicContact CG2-CD2 4.01Å; I69-L122 HydrophobicContact CG2-CG 4.48Å; I69-L168 HydrophobicContact CD1-CD1 3.98Å; I69-L168 HydrophobicContact CD1-CD2 4.48Å
70V97.4Very high95.6Very high1 Ų145.7 Ų45.71%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-123.7151-177.1-59.40000112I53 L68 K72 S91 V92 L94I53-V70 HydrophobicContact CB-CB 4.42Å; I53-V70 HydrophobicContact CD1-CB 4.01Å; I53-V70 HydrophobicContact CD1-CG1 3.79Å; I53-V70 HydrophobicContact CG2-CB 4.23Å; I53-V70 HydrophobicContact CG2-CG2 3.96Å; L68-V70 HydrophobicContact CD1-CG1 4.38Å; L68-V70 HydrophobicContact CD2-CG1 3.68Å; L68-V70 HydrophobicContact CG-CG1 3.71Å; V70-K72 PolarHBondContact O-N 3.09Å; V70-S91 CarbonylContact O-C 3.58Å; V70-S91 VanDerWaalsContact O-CA 3.24Å; V70-S91 WeakPolarHBondContact O-CA 3.32Å; V70-V92 HydrophobicContact CG2-CB 3.99Å; V70-V92 PolarHBondContact N-O 2.79Å; V70-V92 PolarHBondContact O-N 3.26Å; V70-L94 HydrophobicContact CG1-CD1 4.28Å; V70-L94 HydrophobicContact CG2-CD1 4.05Å
71I97.7Very high95.5Very high0 Ų046 Ų460%021%0.207CC..EExtended strand (participates in β ladder)trans-85109.2172.9-58.9172.6000107.7I53 Y54 G55 I88 Y129 V197 I199I53-I71 CarbonylContact C-O 3.53Å; I53-I71 WeakPolarHBondContact CA-O 3.36Å; I53-I71 WeakPolarHBondContact CB-O 3.05Å; Y54-I71 PolarHBondContact N-O 3.22Å; G55-I71 PolarHBondContact O-N 3.17Å; I71-I88 HydrophobicContact CD1-CD1 3.52Å; I71-I88 HydrophobicContact CD1-CG1 3.96Å; I71-I88 HydrophobicContact CG1-CD1 3.91Å; I71-I88 HydrophobicContact CG1-CG1 4.29Å; I71-I88 HydrophobicContact CG2-CG1 4.14Å; I71-I88 HydrophobicContact CG2-CG2 4.14Å; I71-Y129 HydrophobicContact CD1-CD1 4.17Å; I71-Y129 HydrophobicContact CD1-CE1 3.8Å; I71-Y129 HydrophobicContact CG2-CE1 4.48Å; I71-V197 HydrophobicContact CD1-CG1 4.42Å; I71-I199 HydrophobicContact CD1-CD1 4.11Å
72K96.8Very high95.4Very high53 Ų5339.9 Ų39.923%0.2320%0.202CC..EExtended strand (participates in β ladder)trans-89.3-38.4-177.8-178.160.1-171.9171.60112.5T52 I53 Y54 V70 K90 V92T52-K72 WeakPolarHBondContact O-CD 3.5Å; T52-K72 PolarHBondContact O-NZ 3.38Å; I53-K72 HydrophobicContact CG2-CD 4.33Å; Y54-K72 WeakPolarHBondContact CD2-O 3.5Å; Y54-K72 VanDerWaalsContact CE2-O 3.31Å; Y54-K72 WeakPolarHBondContact CE2-O 3.37Å; V70-K72 PolarHBondContact O-N 3.09Å; K72-K90 PolarHBondContact N-O 3.26Å; K72-V92 HydrophobicContact CB-CG2 3.7Å; K72-V92 HydrophobicContact CG-CG2 4.06Å
73E97Very high95.5Very high86 Ų8640.2 Ų40.240%0.40220%0.204SC..EExtended strand (participates in β ladder)trans-134.7142179.4-59.7170.3-15700110.1T89 K90E73-T89 VanDerWaalsContact C-OG1 3.22Å; E73-T89 WeakPolarHBondContact CB-OG1 3.45Å; E73-T89 PolarHBondContact O-N 3.24Å; E73-T89 PolarHBondContact O-OG1 3Å; E73-K90 HydrophobicContact CB-CB 3.74Å; E73-K90 HydrophobicContact CG-CB 3.98Å; E73-K90 HydrophobicContact CG-CD 4.16Å; E73-K90 PolarHBondContact N-O 2.87Å; E73-K90 VanDerWaalsContact N-O 3.14Å; E73-K90 PolarHBondContact O-N 3.32Å; E73-K90 WeakPolarHBondContact OE1-CD 3.39Å; E73-K90 IonicContact OE1-NZ 2.86Å; E73-K90 PolarHBondContact OE1-NZ 3.34Å
74R96.6Very high95.7Very high44 Ų4439.4 Ų39.417%0.16620%0.199CC..EExtended strand (participates in β ladder)trans-137.7152.9176.871-177.3178-179.8-0.7110.2D4 Y54 F86 K87 Y129D4-R74 VanDerWaalsContact O-CZ 3.28Å; D4-R74 PolarHBondContact O-NH1 2.8Å; D4-R74 PolarHBondContact O-NH2 2.85Å; D4-R74 IonicContact OD2-NH2 2.64Å; D4-R74 PolarHBondContact OD2-NH2 2.99Å; Y54-R74 HydrophobicContact CD1-CG 4.39Å; Y54-R74 VanDerWaalsContact CD1-NE 3.33Å; Y54-R74 HydrophobicContact CD2-CG 3.96Å; Y54-R74 HydrophobicContact CE2-CG 4.43Å; Y54-R74 HydrophobicContact CG-CG 3.94Å; R74-F86 HydrophobicContact CB-CB 4.35Å; R74-F86 HydrophobicContact CG-CD1 3.97Å; R74-F86 HydrophobicContact CG-CG 4.43Å; R74-K87 CarbonylContact C-O 3.56Å; R74-K87 VanDerWaalsContact CA-O 3.27Å; R74-K87 WeakPolarHBondContact CA-O 3.2Å; R74-Y129 WeakPolarHBondContact CD-OH 3.32Å; R74-Y129 PolarHBondContact NH1-OH 2.95Å; R74-Y129 VanDerWaalsContact NH1-OH 3.09Å
75K97.2Very high96.1Very high141 Ų14139.2 Ų39.261%0.61320%0.198SC*.EExtended strand (participates in β ladder)trans-116.1130.1171.1-179.1178.1178.41790109.5V77 F86 K87 T89K75-V77 PolarHBondContact O-N 2.92Å; K75-F86 CarbonylContact O-C 3.59Å; K75-F86 WeakPolarHBondContact O-CA 3.37Å; K75-K87 PolarHBondContact N-O 2.76Å; K75-K87 PolarHBondContact O-N 2.68Å; K75-T89 HydrophobicContact CB-CG2 3.96Å
76R97.5Very high96.4Very high137 Ų13740 Ų4052%0.51720%0.199SC..EExtended strand (participates in β ladder)trans-67.2125170.9-177.9166.7178.1-97.78.3109.5E79 T84 F86R76-E79 IonicContact CZ-OE1 4Å; R76-E79 IonicContact NH2-OE1 3.78Å; R76-E79 PolarHBondContact NH2-OE1 2.73Å; R76-E79 IonicContact NH2-OE2 3.61Å; R76-T84 HydrophobicContact CG-CG2 3.76Å; R76-F86 HydrophobicContact CB-CD1 4.2Å; R76-F86 HydrophobicContact CB-CE1 4.11Å; R76-F86 HydrophobicContact CG-CE1 4.47Å
77V96.8Very high96.5Very high45 Ų4539.1 Ų39.127%0.27320%0.195SC..EExtended strand (participates in β ladder)trans-87.7-42.4177.9-179.40000110.3K75 I85 K87 Y128 V204 I206K75-V77 PolarHBondContact O-N 2.92Å; V77-I85 PolarHBondContact N-O 3.47Å; V77-K87 HydrophobicContact CG2-CB 3.84Å; V77-Y128 HydrophobicContact CG2-CD1 3.97Å; V77-Y128 HydrophobicContact CG2-CE1 3.83Å; V77-V204 HydrophobicContact CG1-CG1 4.35Å; V77-I206 HydrophobicContact CG1-CD1 4.15Å; V77-I206 HydrophobicContact CG1-CG1 4.26Å
78G95.9Very high96.6Very high10 Ų1038.9 Ų38.910%0.10320%0.195CC..EExtended strand (participates in β ladder)trans159.3-161-176.500000110.3I85G78-I85 PolarHBondContact O-N 3.35Å
79E96.1Very high96.6Very high79 Ų7942.3 Ų42.337%0.36922%0.216SC..EExtended strand (participates in β ladder)trans-124.7141.2178.6-77.8172.5-168.800111.6R76 N83 T84R76-E79 IonicContact CZ-OE1 4Å; R76-E79 IonicContact NH2-OE1 3.78Å; R76-E79 PolarHBondContact NH2-OE1 2.73Å; R76-E79 IonicContact NH2-OE2 3.61Å; E79-N83 CarbonylContact C-O 3.49Å; E79-N83 VanDerWaalsContact CA-O 3.23Å; E79-N83 WeakPolarHBondContact CA-O 3.28Å; E79-T84 PolarHBondContact OE1-OG1 3.07Å
80I96Very high96.6Very high2 Ų247.2 Ų47.21%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-120.3116173-57.6-175.8000107G82 N83 I85 V204 I206 I226 L258I80-G82 PolarHBondContact O-N 2.95Å; I80-N83 PolarHBondContact N-O 2.9Å; I80-N83 VanDerWaalsContact O-CB 3.3Å; I80-N83 WeakPolarHBondContact O-CB 3.37Å; I80-N83 PolarHBondContact O-N 2.86Å; I80-N83 PolarHBondContact O-ND2 2.88Å; I80-I85 HydrophobicContact CB-CG1 4.4Å; I80-I85 HydrophobicContact CD1-CD1 4.29Å; I80-I85 HydrophobicContact CD1-CG1 3.86Å; I80-I85 HydrophobicContact CG1-CD1 4.37Å; I80-I85 HydrophobicContact CG1-CG1 3.81Å; I80-V204 HydrophobicContact CD1-CG1 4.47Å; I80-I206 HydrophobicContact CD1-CD1 4.07Å; I80-I206 HydrophobicContact CD1-CG1 4.43Å; I80-I206 HydrophobicContact CG1-CD1 3.64Å; I80-I206 HydrophobicContact CG1-CG1 4.25Å; I80-I226 HydrophobicContact CD1-CD1 3.81Å; I80-I226 HydrophobicContact CD1-CG1 4.14Å; I80-L258 HydrophobicContact CD1-CD1 4.45Å; I80-L258 HydrophobicContact CG2-CD1 3.67Å
81F94.2Very high96.6Very high34 Ų3448.2 Ų48.215%0.14924%0.244CC..THydrogen-bonded Turntrans53.436.7-177.1-46.5-44.4000113.2N83 Y133 L139 L258 D260 R265F81-N83 VanDerWaalsContact C-N 3.29Å; F81-N83 PolarHBondContact O-N 3.44Å; F81-N83 PolarHBondContact O-ND2 2.8Å; F81-Y133 HydrophobicContact CD2-CE2 4.15Å; F81-L139 HydrophobicContact CE2-CD1 3.91Å; F81-L139 HydrophobicContact CE2-CD2 3.91Å; F81-L139 HydrophobicContact CE2-CG 4.45Å; F81-L139 HydrophobicContact CZ-CD2 3.76Å; F81-L258 HydrophobicContact CE2-CD1 4.06Å; F81-L258 HydrophobicContact CZ-CB 4.4Å; F81-L258 HydrophobicContact CZ-CD1 4.13Å; F81-L258 HydrophobicContact CZ-CD2 4.35Å; F81-D260 HydrophobicContact CD1-CB 4.2Å; F81-D260 WeakPolarHBondContact CD1-OD2 3.37Å; F81-D260 HydrophobicContact CE1-CB 3.96Å; F81-R265 HydrophobicContact CD1-CG 4.12Å; F81-R265 HydrophobicContact CE1-CB 4.21Å; F81-R265 VanDerWaalsContact CE1-CD 3.43Å; F81-R265 HydrophobicContact CE1-CG 3.65Å; F81-R265 HydrophobicContact CZ-CB 4.47Å; F81-R265 HydrophobicContact CZ-CG 4.33Å
82G92.7Very high96.5Very high58 Ų5850.6 Ų50.660%0.59826%0.259SS*.THydrogen-bonded Turntrans79.7-0.3-175.700000115.3I80I80-G82 PolarHBondContact O-N 2.95Å
83N95.4Very high96.4Very high39 Ų3949.7 Ų49.721%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-94.9126.8178.1-61.9-80.9000110.9E79 I80 F81 T132 Y133E79-N83 CarbonylContact C-O 3.49Å; E79-N83 VanDerWaalsContact CA-O 3.23Å; E79-N83 WeakPolarHBondContact CA-O 3.28Å; I80-N83 PolarHBondContact N-O 2.9Å; I80-N83 VanDerWaalsContact O-CB 3.3Å; I80-N83 WeakPolarHBondContact O-CB 3.37Å; I80-N83 PolarHBondContact O-N 2.86Å; I80-N83 PolarHBondContact O-ND2 2.88Å; F81-N83 VanDerWaalsContact C-N 3.29Å; F81-N83 PolarHBondContact O-N 3.44Å; F81-N83 PolarHBondContact O-ND2 2.8Å; N83-T132 WeakPolarHBondContact CB-OG1 3.49Å; N83-T132 VanDerWaalsContact OD1-CB 3.27Å; N83-T132 WeakPolarHBondContact OD1-CB 3.47Å; N83-T132 PolarHBondContact OD1-OG1 3.34Å; N83-Y133 HydrophobicContact CB-CG 4.33Å
84T96.8Very high96.3Very high33 Ų3346.4 Ų46.420%0.20224%0.241CC..EExtended strand (participates in β ladder)trans-74.2133.5-179.4-64.40000111.3R76 E79 F86 S130R76-T84 HydrophobicContact CG-CG2 3.76Å; E79-T84 PolarHBondContact OE1-OG1 3.07Å; T84-F86 HydrophobicContact CG2-CD1 4.26Å; T84-F86 HydrophobicContact CG2-CD2 4.23Å; T84-F86 HydrophobicContact CG2-CE1 3.65Å; T84-F86 HydrophobicContact CG2-CE2 3.62Å; T84-F86 HydrophobicContact CG2-CZ 3.3Å; T84-S130 VanDerWaalsContact O-CB 3.3Å; T84-S130 WeakPolarHBondContact O-CB 3.39Å; T84-S130 PolarHBondContact O-OG 2.9Å
85I98Very high96.2Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-109136.2175.5-48.3-54.1000110.2V77 G78 I80 Y133 L135 V204 I206V77-I85 PolarHBondContact N-O 3.47Å; G78-I85 PolarHBondContact O-N 3.35Å; I80-I85 HydrophobicContact CB-CG1 4.4Å; I80-I85 HydrophobicContact CD1-CD1 4.29Å; I80-I85 HydrophobicContact CD1-CG1 3.86Å; I80-I85 HydrophobicContact CG1-CD1 4.37Å; I80-I85 HydrophobicContact CG1-CG1 3.81Å; I85-Y133 HydrophobicContact CD1-CD1 4.3Å; I85-L135 HydrophobicContact CD1-CD2 3.94Å; I85-L135 HydrophobicContact CD1-CG 4.4Å; I85-L135 HydrophobicContact CG2-CD1 4.01Å; I85-V204 HydrophobicContact CG2-CB 4.46Å; I85-V204 HydrophobicContact CG2-CG1 4.08Å; I85-V204 HydrophobicContact CG2-CG2 4.47Å; I85-I206 HydrophobicContact CB-CD1 4.37Å; I85-I206 HydrophobicContact CG1-CD1 4.14Å
86F98Very high96Very high23 Ų2339.4 Ų39.410%0.10122%0.216CC..EExtended strand (participates in β ladder)trans-119.8139.7-178.8-61.5-76.1000111.8R74 K75 R76 T84 Y128 Y129R74-F86 HydrophobicContact CB-CB 4.35Å; R74-F86 HydrophobicContact CG-CD1 3.97Å; R74-F86 HydrophobicContact CG-CG 4.43Å; K75-F86 CarbonylContact O-C 3.59Å; K75-F86 WeakPolarHBondContact O-CA 3.37Å; R76-F86 HydrophobicContact CB-CD1 4.2Å; R76-F86 HydrophobicContact CB-CE1 4.11Å; R76-F86 HydrophobicContact CG-CE1 4.47Å; T84-F86 HydrophobicContact CG2-CD1 4.26Å; T84-F86 HydrophobicContact CG2-CD2 4.23Å; T84-F86 HydrophobicContact CG2-CE1 3.65Å; T84-F86 HydrophobicContact CG2-CE2 3.62Å; T84-F86 HydrophobicContact CG2-CZ 3.3Å; F86-Y128 VanDerWaalsContact O-CA 3.24Å; F86-Y128 WeakPolarHBondContact O-CA 3.34Å; F86-Y129 HydrophobicContact CB-CD1 4.11Å; F86-Y129 HydrophobicContact CB-CE1 3.75Å; F86-Y129 HydrophobicContact CD2-CE2 4.24Å; F86-Y129 PolarHBondContact N-O 2.8Å; F86-Y129 PolarHBondContact O-N 2.69Å
87K97.8Very high95.5Very high22 Ų2233.4 Ų33.410%0.09620%0.196CC..EExtended strand (participates in β ladder)trans-94.8130.4164.8-176.8-172.6176.2-172.50108.2R74 K75 V77 E125 F127 Y128 Y496R74-K87 CarbonylContact C-O 3.56Å; R74-K87 VanDerWaalsContact CA-O 3.27Å; R74-K87 WeakPolarHBondContact CA-O 3.2Å; K75-K87 PolarHBondContact N-O 2.76Å; K75-K87 PolarHBondContact O-N 2.68Å; V77-K87 HydrophobicContact CG2-CB 3.84Å; K87-E125 IonicContact NZ-OE1 2.67Å; K87-E125 PolarHBondContact NZ-OE1 2.87Å; K87-E125 IonicContact NZ-OE2 3.47Å; K87-E125 PolarHBondContact NZ-OE2 2.91Å; K87-F127 WeakPolarHBondContact CA-O 3.45Å; K87-Y128 HydrophobicContact CB-CD1 3.85Å; K87-Y128 HydrophobicContact CB-CE1 3.65Å; K87-Y128 HydrophobicContact CD-CE1 4.32Å; K87-Y128 HydrophobicContact CG-CD1 4.26Å; K87-Y128 HydrophobicContact CG-CE1 3.82Å; K87-Y496 PolarHBondContact NZ-OH 2.74Å
88I97.6Very high94.9Very high9 Ų937.3 Ų37.35%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-75.3129.1172.1-61.2170.7000108.4W57 I71 F127 Y129 I199W57-I88 HydrophobicContact CZ2-CD1 3.75Å; I71-I88 HydrophobicContact CD1-CD1 3.52Å; I71-I88 HydrophobicContact CD1-CG1 3.96Å; I71-I88 HydrophobicContact CG1-CD1 3.91Å; I71-I88 HydrophobicContact CG1-CG1 4.29Å; I71-I88 HydrophobicContact CG2-CG1 4.14Å; I71-I88 HydrophobicContact CG2-CG2 4.14Å; I88-F127 HydrophobicContact CB-CB 4.16Å; I88-F127 HydrophobicContact CD1-CB 3.99Å; I88-F127 HydrophobicContact CG1-CB 4.42Å; I88-F127 PolarHBondContact N-O 2.86Å; I88-Y129 HydrophobicContact CD1-CD1 3.99Å; I88-Y129 HydrophobicContact CD1-CE1 4.35Å; I88-Y129 HydrophobicContact CG1-CD1 3.72Å; I88-Y129 HydrophobicContact CG1-CE1 3.78Å; I88-I199 HydrophobicContact CD1-CD1 3.7Å; I88-I199 HydrophobicContact CD1-CG1 4.11Å; I88-I199 HydrophobicContact CD1-CG2 3.96Å
89T96.3Very high94.3Very high73 Ų7339.4 Ų39.445%0.44822%0.218SC..EExtended strand (participates in β ladder)trans-111.3-26.7178.555.20000112.5E73 K75E73-T89 VanDerWaalsContact C-OG1 3.22Å; E73-T89 WeakPolarHBondContact CB-OG1 3.45Å; E73-T89 PolarHBondContact O-N 3.24Å; E73-T89 PolarHBondContact O-OG1 3Å; K75-T89 HydrophobicContact CB-CG2 3.96Å
90K96.5Very high93.8Very high103 Ų10339 Ų3945%0.44822%0.219SC..EExtended strand (participates in β ladder)trans-148.7133.3177.9-165.1176.8-176.4171.50111.6K72 E73K72-K90 PolarHBondContact N-O 3.26Å; E73-K90 HydrophobicContact CB-CB 3.74Å; E73-K90 HydrophobicContact CG-CB 3.98Å; E73-K90 HydrophobicContact CG-CD 4.16Å; E73-K90 PolarHBondContact N-O 2.87Å; E73-K90 VanDerWaalsContact N-O 3.14Å; E73-K90 PolarHBondContact O-N 3.32Å; E73-K90 WeakPolarHBondContact OE1-CD 3.39Å; E73-K90 IonicContact OE1-NZ 2.86Å; E73-K90 PolarHBondContact OE1-NZ 3.34Å
91S97Very high93.3Very high22 Ų2246.5 Ų46.515%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-118.5151.4172.9-52.30000109.7W57 V70W57-S91 PolarHBondContact NE1-OG 3.04Å; V70-S91 CarbonylContact O-C 3.58Å; V70-S91 VanDerWaalsContact O-CA 3.24Å; V70-S91 WeakPolarHBondContact O-CA 3.32Å
92V95.9Very high93Very high49 Ų4950.2 Ų50.230%0.29728%0.276SS..EExtended strand (participates in β ladder)trans-126.5138178.2176.80000108.8I69 V70 K72 L94I69-V92 WeakPolarHBondContact CA-O 3.5Å; V70-V92 HydrophobicContact CG2-CB 3.99Å; V70-V92 PolarHBondContact N-O 2.79Å; V70-V92 PolarHBondContact O-N 3.26Å; K72-V92 HydrophobicContact CB-CG2 3.7Å; K72-V92 HydrophobicContact CG-CG2 4.06Å; V92-L94 HydrophobicContact CG1-CD2 3.74Å; V92-L94 HydrophobicContact CG1-CG 4.09Å
93I95.8Very high92.8Very high35 Ų3548.3 Ų48.318%0.17925%0.251CS..EExtended strand (participates in β ladder)trans-103.8124.9177.8-44.6170.6000107.6Y67 I69 L118 S119 L122Y67-I93 HydrophobicContact CD1-CG2 3.44Å; Y67-I93 VanDerWaalsContact CD1-CG2 3.44Å; Y67-I93 HydrophobicContact CE1-CG2 4.29Å; Y67-I93 HydrophobicContact CG-CG2 4.03Å; I69-I93 HydrophobicContact CG1-CG2 4.32Å; I93-L118 HydrophobicContact CD1-CB 4.19Å; I93-L118 HydrophobicContact CD1-CD2 3.8Å; I93-L118 HydrophobicContact CD1-CG 3.83Å; I93-L118 HydrophobicContact CG1-CD2 4.37Å; I93-L118 HydrophobicContact CG2-CD2 4.12Å; I93-S119 VanDerWaalsContact CD1-OG 3.27Å; I93-S119 WeakPolarHBondContact CD1-OG 3.43Å; I93-L122 HydrophobicContact CD1-CD1 3.99Å; I93-L122 HydrophobicContact CG1-CD1 3.72Å
94L95Very high92.7Very high16 Ų1650.2 Ų50.28%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-120.1107-173.9-61.7171.3000109.9L8 I10 Y15 Y67 L68 V70 V92L8-L94 HydrophobicContact CD2-CD1 3.53Å; I10-L94 HydrophobicContact CD1-CD2 4.21Å; Y15-L94 HydrophobicContact CE2-CB 4.21Å; Y67-L94 CarbonylContact C-O 3.52Å; Y67-L94 WeakPolarHBondContact CA-O 3.35Å; L68-L94 HydrophobicContact CB-CB 4.38Å; L68-L94 HydrophobicContact CD2-CD1 4.29Å; L68-L94 PolarHBondContact N-O 3.48Å; L68-L94 WeakPolarHBondContact O-CB 3.09Å; L68-L94 PolarHBondContact O-N 3.37Å; V70-L94 HydrophobicContact CG1-CD1 4.28Å; V70-L94 HydrophobicContact CG2-CD1 4.05Å; V92-L94 HydrophobicContact CG1-CD2 3.74Å; V92-L94 HydrophobicContact CG1-CG 4.09Å
95P94.1Very high92.5Very high39 Ų3955.5 Ų55.525%0.25329%0.292SS..EExtended strand (participates in β ladder)trans-67.3138.1177.823.3-30.4000111.4Y15 Y67Y15-P95 WeakPolarHBondContact CE2-O 3.39Å; Y15-P95 PolarHBondContact OH-O 2.91Å; Y67-P95 VanDerWaalsContact CD1-CA 3.41Å; Y67-P95 HydrophobicContact CD1-CB 3.79Å; Y67-P95 HydrophobicContact CD1-CG 4.5Å; Y67-P95 HydrophobicContact CE1-CB 3.38Å; Y67-P95 HydrophobicContact CE1-CG 4.06Å; Y67-P95 HydrophobicContact CE2-CB 4.48Å
96F92.5Very high92.4Very high0 Ų061.2 Ų61.20%032%0.321CS..SBendtrans-68.7-50.6168.9-73.821000108.2Y15 I28 R30 Q33 L59 F66 L68 R98 M175Y15-F96 HydrophobicContact CE2-CD1 4.48Å; I28-F96 HydrophobicContact CB-CZ 4.5Å; I28-F96 HydrophobicContact CD1-CE1 4.11Å; I28-F96 HydrophobicContact CD1-CZ 3.96Å; I28-F96 HydrophobicContact CG1-CZ 4.4Å; I28-F96 HydrophobicContact CG2-CD1 4Å; I28-F96 HydrophobicContact CG2-CD2 3.71Å; I28-F96 HydrophobicContact CG2-CE1 3.69Å; I28-F96 HydrophobicContact CG2-CE2 3.39Å; I28-F96 HydrophobicContact CG2-CG 4.03Å; I28-F96 HydrophobicContact CG2-CZ 3.38Å; R30-F96 WeakPolarHBondContact CB-O 3.46Å; R30-F96 WeakPolarHBondContact CG-O 3.38Å; R30-F96 PolarHBondContact NE-O 2.9Å; Q33-F96 HydrophobicContact CB-CD2 3.98Å; Q33-F96 HydrophobicContact CG-CB 4.2Å; Q33-F96 HydrophobicContact CG-CD2 4.38Å; L59-F96 HydrophobicContact CD2-CE1 4.04Å; L59-F96 HydrophobicContact CD2-CZ 3.66Å; F66-F96 HydrophobicContact CB-CD1 4.24Å; F66-F96 HydrophobicContact CB-CD2 3.57Å; F66-F96 HydrophobicContact CB-CE1 4.34Å; F66-F96 HydrophobicContact CB-CE2 3.68Å; F66-F96 HydrophobicContact CB-CG 3.86Å; F66-F96 HydrophobicContact CB-CZ 4.08Å; F66-F96 HydrophobicContact CG-CE2 4.42Å; F66-F96 VanDerWaalsContact O-CB 3.28Å; F66-F96 WeakPolarHBondContact O-CB 3.32Å; F66-F96 WeakPolarHBondContact O-CD1 3.35Å; F66-F96 WeakPolarHBondContact O-CG 3.37Å; F66-F96 PolarHBondContact O-N 3.39Å; L68-F96 HydrophobicContact CB-CE1 3.82Å; F96-R98 PolarHBondContact O-N 3.37Å; F96-M175 HydrophobicContact CE2-CE 3.66Å; F96-M175 HydrophobicContact CE2-SD 4.38Å; F96-M175 HydrophobicContact CZ-CE 3.7Å
97A86.9Confident92.2Very high11 Ų1163.6 Ų63.69%0.09133%0.332CS..SBendtrans-51.9134.1178.100000112.4R30R30-A97 PolarHBondContact NH2-O 3.45Å
98R84.3Confident91.9Very high126 Ų12664.8 Ų64.848%0.47534%0.34SS..SBendtrans-71.2-39175.6-94.8179.8156.8173.2-7.5113.4P12 D13 F96P12-R98 VanDerWaalsContact C-NE 3.25Å; P12-R98 VanDerWaalsContact C-NH2 3.27Å; P12-R98 VanDerWaalsContact O-CG 3.27Å; P12-R98 WeakPolarHBondContact O-CG 3.43Å; P12-R98 PolarHBondContact O-NE 2.83Å; D13-R98 VanDerWaalsContact CG-CZ 3.44Å; D13-R98 IonicContact OD1-CZ 2.86Å; D13-R98 IonicContact OD1-NE 3.8Å; D13-R98 IonicContact OD1-NH1 2.76Å; D13-R98 PolarHBondContact OD1-NH1 2.97Å; D13-R98 IonicContact OD1-NH2 2.69Å; D13-R98 PolarHBondContact OD1-NH2 3.48Å; D13-R98 IonicContact OD2-CZ 3.71Å; D13-R98 IonicContact OD2-NH2 2.72Å; D13-R98 PolarHBondContact OD2-NH2 2.83Å; F96-R98 PolarHBondContact O-N 3.37Å
99S83.6Confident91.8Very high54 Ų5470.7 Ų70.738%0.37837%0.367SS..  trans-145153.6-176.882.10000109.8L101 H102S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact OG-N 2.94Å; S99-H102 PolarHBondContact O-CE1 3.39Å; S99-H102 VanDerWaalsContact O-CE1 3.31Å; S99-H102 PolarHBondContact O-ND1 3.3Å
100L85.5Confident91.6Very high72 Ų7270.4 Ų70.438%0.37736%0.363SS..SBendtrans-92.110175.7-54.4176.8000112H102 L103 N108 E111L100-H102 PolarHBondContact O-N 2.92Å; L100-H102 VanDerWaalsContact O-N 3.14Å; L100-L103 HydrophobicContact CB-CD1 4.37Å; L100-L103 HydrophobicContact CD2-CD1 4.15Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-N108 WeakPolarHBondContact CB-OD1 3.21Å; L100-N108 PolarHBondContact O-OD1 3.36Å; L100-E111 HydrophobicContact CD2-CG 4.47Å
101L85.9Confident91.5Very high159 Ų15965.6 Ų65.683%0.83234%0.342SS*.THydrogen-bonded Turntrans-65.2-18.3-176-64.5175000113.8S99 L103S99-L101 VanDerWaalsContact C-N 3.29Å; S99-L101 PolarHBondContact OG-N 2.94Å; L101-L103 VanDerWaalsContact C-N 3.27Å
102H86.6Confident91.3Very high112 Ų11268.4 Ų68.452%0.51936%0.362SS..THydrogen-bonded Turntrans-80.7-10.417667.1-81.8000112.8S99 L100S99-H102 PolarHBondContact O-CE1 3.39Å; S99-H102 VanDerWaalsContact O-CE1 3.31Å; S99-H102 PolarHBondContact O-ND1 3.3Å; L100-H102 PolarHBondContact O-N 2.92Å; L100-H102 VanDerWaalsContact O-N 3.14Å
103L89.8Confident91.2Very high17 Ų1769 Ų699%0.08937%0.366CS..SBendtrans-89.9144.8178.4-61.9-174.2000110.8V63 L100 L101 Q107 N108 E111V63-L103 HydrophobicContact CG1-CD1 4.45Å; V63-L103 HydrophobicContact CG1-CD2 4Å; L100-L103 HydrophobicContact CB-CD1 4.37Å; L100-L103 HydrophobicContact CD2-CD1 4.15Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 2.94Å; L101-L103 VanDerWaalsContact C-N 3.27Å; L103-Q107 HydrophobicContact CB-CB 3.92Å; L103-Q107 HydrophobicContact CD1-CB 4.43Å; L103-Q107 HydrophobicContact CD2-CB 4.19Å; L103-Q107 HydrophobicContact CG-CB 4.42Å; L103-N108 WeakPolarHBondContact CB-OD1 3.49Å; L103-N108 PolarHBondContact O-ND2 3.25Å; L103-E111 HydrophobicContact CD1-CB 4.3Å; L103-E111 HydrophobicContact CD1-CG 4.42Å
104T93.9Very high91.2Very high80 Ų8072.3 Ų72.349%0.49138%0.376SS..  trans-67.6164.3166.761.50000111.2I106 Q107 N108T104-I106 VanDerWaalsContact C-N 3.29Å; T104-I106 PolarHBondContact O-N 3.46Å; T104-Q107 PolarHBondContact O-N 2.96Å; T104-Q107 VanDerWaalsContact O-N 3.16Å; T104-Q107 WeakPolarHBondContact OG1-CB 3.29Å; T104-Q107 VanDerWaalsContact OG1-CD 3.31Å; T104-Q107 VanDerWaalsContact OG1-CG 3.25Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.41Å; T104-Q107 PolarHBondContact OG1-N 2.99Å; T104-Q107 PolarHBondContact OG1-OE1 3.22Å; T104-N108 PolarHBondContact O-N 2.91Å; T104-N108 PolarHBondContact O-ND2 2.9Å
105D92.3Very high91Very high143 Ų14373 Ų7377%0.76538%0.382SS*.Hα-helixtrans-58.4-40.2178.9-63.2-37.3000112.8N108 Q109D105-N108 PolarHBondContact O-N 2.88Å; D105-Q109 PolarHBondContact O-N 2.98Å
106I94.5Very high91Very high121 Ų12177.6 Ų77.662%0.62140%0.4SS*.Hα-helixtrans-64.6-46.1176.8-62170.7000110.2T104 N108 Q109 D110T104-I106 VanDerWaalsContact C-N 3.29Å; T104-I106 PolarHBondContact O-N 3.46Å; I106-N108 VanDerWaalsContact C-N 3.3Å; I106-N108 PolarHBondContact O-N 3.2Å; I106-Q109 WeakPolarHBondContact O-CB 3.31Å; I106-Q109 PolarHBondContact O-N 3.08Å; I106-Q109 VanDerWaalsContact O-N 3.1Å; I106-D110 PolarHBondContact O-N 2.8Å
107Q94.6Very high91Very high72 Ų7282.7 Ų82.734%0.33643%0.425SS..Hα-helixtrans-63.2-36.9177.9-75.8171.2-36.600112.3V63 L103 T104 Q109 D110 E111V63-Q107 HydrophobicContact CG1-CB 3.77Å; V63-Q107 HydrophobicContact CG1-CG 3.8Å; L103-Q107 HydrophobicContact CB-CB 3.92Å; L103-Q107 HydrophobicContact CD1-CB 4.43Å; L103-Q107 HydrophobicContact CD2-CB 4.19Å; L103-Q107 HydrophobicContact CG-CB 4.42Å; T104-Q107 PolarHBondContact O-N 2.96Å; T104-Q107 VanDerWaalsContact O-N 3.16Å; T104-Q107 WeakPolarHBondContact OG1-CB 3.29Å; T104-Q107 VanDerWaalsContact OG1-CD 3.31Å; T104-Q107 VanDerWaalsContact OG1-CG 3.25Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.41Å; T104-Q107 PolarHBondContact OG1-N 2.99Å; T104-Q107 PolarHBondContact OG1-OE1 3.22Å; Q107-Q109 VanDerWaalsContact C-N 3.31Å; Q107-D110 PolarHBondContact O-N 3.11Å; Q107-E111 WeakPolarHBondContact O-CB 3.4Å; Q107-E111 PolarHBondContact O-N 3.03Å
108N92.3Very high91.3Very high47 Ų4783.6 Ų83.625%0.25143%0.428SS..Hα-helixtrans-63.7-38.5173.5-82-42.2000111.9L100 L103 T104 D105 I106 S112L100-N108 WeakPolarHBondContact CB-OD1 3.21Å; L100-N108 PolarHBondContact O-OD1 3.36Å; L103-N108 WeakPolarHBondContact CB-OD1 3.49Å; L103-N108 PolarHBondContact O-ND2 3.25Å; T104-N108 PolarHBondContact O-N 2.91Å; T104-N108 PolarHBondContact O-ND2 2.9Å; D105-N108 PolarHBondContact O-N 2.88Å; I106-N108 VanDerWaalsContact C-N 3.3Å; I106-N108 PolarHBondContact O-N 3.2Å; N108-S112 WeakPolarHBondContact O-CB 3.27Å; N108-S112 PolarHBondContact O-N 2.91Å
109Q93.8Very high91.7Very high134 Ų13479.9 Ų79.963%0.62642%0.422SS*.Hα-helixtrans-65.9-47.5175.2-171.1168.913.900111.4D105 I106 Q107 E111 S112 V113D105-Q109 PolarHBondContact O-N 2.98Å; I106-Q109 WeakPolarHBondContact O-CB 3.31Å; I106-Q109 PolarHBondContact O-N 3.08Å; I106-Q109 VanDerWaalsContact O-N 3.1Å; Q107-Q109 VanDerWaalsContact C-N 3.31Å; Q109-E111 PolarHBondContact O-N 2.9Å; Q109-S112 WeakPolarHBondContact O-CB 3.47Å; Q109-S112 PolarHBondContact O-N 3.25Å; Q109-V113 WeakPolarHBondContact O-CG2 3.36Å; Q109-V113 PolarHBondContact O-N 2.98Å
110D94.1Very high92Very high66 Ų6681 Ų8135%0.35343%0.429SS..Hα-helixtrans-60.2-45.1176.4-72.4-16.9000111.6V63 I106 Q107 S112 V113 Y114V63-D110 HydrophobicContact CG2-CB 4.32Å; I106-D110 PolarHBondContact O-N 2.8Å; Q107-D110 PolarHBondContact O-N 3.11Å; D110-S112 VanDerWaalsContact C-N 3.31Å; D110-S112 PolarHBondContact O-N 3.13Å; D110-V113 PolarHBondContact O-N 2.77Å; D110-Y114 HydrophobicContact CB-CD2 4.47Å; D110-Y114 HydrophobicContact CB-CE2 3.92Å; D110-Y114 WeakPolarHBondContact O-CD2 3.4Å; D110-Y114 VanDerWaalsContact O-CG 3.27Å; D110-Y114 PolarHBondContact O-N 2.97Å
111E93.3Very high92.2Very high2 Ų281.7 Ų81.71%0.00943%0.433CS..Hα-helixtrans-57.5-45177-174.474.9162.800111.6L62 V63 S64 Y67 L100 L103 Q107 Q109 V113 Y114 C115L62-E111 VanDerWaalsContact CB-OE2 3.23Å; L62-E111 WeakPolarHBondContact CB-OE2 3.45Å; V63-E111 WeakPolarHBondContact CA-OE2 3.48Å; V63-E111 HydrophobicContact CB-CB 4.43Å; V63-E111 WeakPolarHBondContact CB-OE2 3.45Å; V63-E111 WeakPolarHBondContact CG2-OE2 3.22Å; V63-E111 PolarHBondContact N-OE2 3.48Å; S64-E111 VanDerWaalsContact CB-OE1 3.24Å; S64-E111 WeakPolarHBondContact CB-OE1 2.92Å; S64-E111 PolarHBondContact N-OE1 3.28Å; S64-E111 PolarHBondContact N-OE2 2.86Å; S64-E111 PolarHBondContact OG-OE1 2.96Å; Y67-E111 WeakPolarHBondContact CE2-OE1 3.39Å; Y67-E111 PolarHBondContact OH-OE1 2.91Å; L100-E111 HydrophobicContact CD2-CG 4.47Å; L103-E111 HydrophobicContact CD1-CB 4.3Å; L103-E111 HydrophobicContact CD1-CG 4.42Å; Q107-E111 WeakPolarHBondContact O-CB 3.4Å; Q107-E111 PolarHBondContact O-N 3.03Å; Q109-E111 PolarHBondContact O-N 2.9Å; E111-V113 VanDerWaalsContact C-N 3.35Å; E111-V113 PolarHBondContact O-N 2.83Å; E111-Y114 PolarHBondContact O-N 3.37Å; E111-C115 WeakPolarHBondContact O-CB 3.46Å; E111-C115 PolarHBondContact O-N 3.49Å; E111-C115 PolarHBondContact O-SG 2.79Å
112S92.6Very high92.6Very high81 Ų8174.9 Ų74.957%0.56640%0.397SS*.Hα-helixtrans-61.3-44.2177.4-171.40000111.6N108 Q109 D110 C115 H116N108-S112 WeakPolarHBondContact O-CB 3.27Å; N108-S112 PolarHBondContact O-N 2.91Å; Q109-S112 WeakPolarHBondContact O-CB 3.47Å; Q109-S112 PolarHBondContact O-N 3.25Å; D110-S112 VanDerWaalsContact C-N 3.31Å; D110-S112 PolarHBondContact O-N 3.13Å; S112-C115 PolarHBondContact O-N 2.78Å; S112-H116 WeakPolarHBondContact O-CB 3.39Å; S112-H116 PolarHBondContact O-N 3.27Å
113V94.4Very high92.7Very high63 Ų6374.3 Ų74.338%0.38241%0.405SS..Hα-helixtrans-62.2-47.3177.3172.20000110.9Q109 D110 E111 H116 M117Q109-V113 WeakPolarHBondContact O-CG2 3.36Å; Q109-V113 PolarHBondContact O-N 2.98Å; D110-V113 PolarHBondContact O-N 2.77Å; E111-V113 VanDerWaalsContact C-N 3.35Å; E111-V113 PolarHBondContact O-N 2.83Å; V113-H116 WeakPolarHBondContact O-CB 3.48Å; V113-H116 PolarHBondContact O-N 2.81Å; V113-M117 HydrophobicContact CG1-CE 3.57Å; V113-M117 HydrophobicContact CG1-SD 4.26Å; V113-M117 WeakPolarHBondContact O-CG 3.43Å; V113-M117 PolarHBondContact O-N 2.86Å
114Y94.5Very high92.6Very high103 Ų10375.3 Ų75.340%0.40441%0.414SS..Hα-helixtrans-65.1-42.6179.5-60.9-37.1000112.5V63 D110 E111 H116 M117 L118V63-Y114 HydrophobicContact CG2-CD2 3.9Å; V63-Y114 HydrophobicContact CG2-CE2 3.76Å; D110-Y114 HydrophobicContact CB-CD2 4.47Å; D110-Y114 HydrophobicContact CB-CE2 3.92Å; D110-Y114 WeakPolarHBondContact O-CD2 3.4Å; D110-Y114 VanDerWaalsContact O-CG 3.27Å; D110-Y114 PolarHBondContact O-N 2.97Å; E111-Y114 PolarHBondContact O-N 3.37Å; Y114-H116 VanDerWaalsContact C-N 3.27Å; Y114-H116 PolarHBondContact O-N 2.68Å; Y114-M117 HydrophobicContact CD1-SD 4.49Å; Y114-M117 PolarHBondContact O-N 2.77Å; Y114-L118 WeakPolarHBondContact O-CB 3.16Å; Y114-L118 PolarHBondContact O-N 3.1Å
115C92.5Very high92.4Very high30 Ų3075.9 Ų75.920%0.20341%0.411CS..Hα-helixtrans-60.4-39.3175-73.20000111.8E111 S112 S119E111-C115 WeakPolarHBondContact O-CB 3.46Å; E111-C115 PolarHBondContact O-N 3.49Å; E111-C115 PolarHBondContact O-SG 2.79Å; S112-C115 PolarHBondContact O-N 2.78Å; C115-S119 VanDerWaalsContact O-CB 3.28Å; C115-S119 WeakPolarHBondContact O-CB 3.29Å; C115-S119 PolarHBondContact O-N 2.81Å; C115-S119 PolarHBondContact O-OG 3.24Å
116H93.4Very high92.5Very high137 Ų13769.1 Ų69.163%0.63438%0.375SS*.Hα-helixtrans-66.5-46.3176.6-173.177.9000112S112 V113 Y114 L118 S119 S120S112-H116 WeakPolarHBondContact O-CB 3.39Å; S112-H116 PolarHBondContact O-N 3.27Å; V113-H116 WeakPolarHBondContact O-CB 3.48Å; V113-H116 PolarHBondContact O-N 2.81Å; Y114-H116 VanDerWaalsContact C-N 3.27Å; Y114-H116 PolarHBondContact O-N 2.68Å; H116-L118 VanDerWaalsContact C-N 3.31Å; H116-L118 PolarHBondContact O-N 2.75Å; H116-S119 PolarHBondContact O-N 3.01Å; H116-S120 WeakPolarHBondContact O-CB 3.19Å; H116-S120 PolarHBondContact O-N 3.49Å
117M91.7Very high92.6Very high106 Ų10663.4 Ų63.452%0.52235%0.346SS..Hα-helixtrans-57.9-45.4175.2-71178.4179.200111.5V113 Y114 S120 I121V113-M117 HydrophobicContact CG1-CE 3.57Å; V113-M117 HydrophobicContact CG1-SD 4.26Å; V113-M117 WeakPolarHBondContact O-CG 3.43Å; V113-M117 PolarHBondContact O-N 2.86Å; Y114-M117 HydrophobicContact CD1-SD 4.49Å; Y114-M117 PolarHBondContact O-N 2.77Å; M117-S120 WeakPolarHBondContact O-CB 3.47Å; M117-S120 PolarHBondContact O-N 3.44Å; M117-I121 WeakPolarHBondContact O-CG1 3.41Å; M117-I121 PolarHBondContact O-N 3.04Å; M117-I121 VanDerWaalsContact O-N 3.09Å
118L93.2Very high92.8Very high30 Ų3060.2 Ų60.216%0.15733%0.33CS..Hα-helixtrans-64.2-44.2179.1-175.159.7000111.6V60 I69 I93 Y114 H116 S120 I121 L122V60-L118 HydrophobicContact CG1-CD2 3.8Å; I69-L118 HydrophobicContact CD1-CD1 4.08Å; I69-L118 HydrophobicContact CD1-CD2 3.92Å; I69-L118 HydrophobicContact CD1-CG 4.37Å; I93-L118 HydrophobicContact CD1-CB 4.19Å; I93-L118 HydrophobicContact CD1-CD2 3.8Å; I93-L118 HydrophobicContact CD1-CG 3.83Å; I93-L118 HydrophobicContact CG1-CD2 4.37Å; I93-L118 HydrophobicContact CG2-CD2 4.12Å; Y114-L118 WeakPolarHBondContact O-CB 3.16Å; Y114-L118 PolarHBondContact O-N 3.1Å; H116-L118 VanDerWaalsContact C-N 3.31Å; H116-L118 PolarHBondContact O-N 2.75Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.29Å; L118-I121 PolarHBondContact O-N 3.42Å; L118-L122 HydrophobicContact CD1-CD1 4.16Å; L118-L122 HydrophobicContact CD1-CG 4.31Å; L118-L122 HydrophobicContact CG-CD1 3.91Å; L118-L122 HydrophobicContact CG-CG 4.46Å; L118-L122 WeakPolarHBondContact O-CB 3.4Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 2.85Å
119S93.3Very high93Very high49 Ų4958 Ų5834%0.34332%0.319SS..Hα-helixtrans-62.9-38.7176-69.60000111.8I93 C115 H116 L122 S123I93-S119 VanDerWaalsContact CD1-OG 3.27Å; I93-S119 WeakPolarHBondContact CD1-OG 3.43Å; C115-S119 VanDerWaalsContact O-CB 3.28Å; C115-S119 WeakPolarHBondContact O-CB 3.29Å; C115-S119 PolarHBondContact O-N 2.81Å; C115-S119 PolarHBondContact O-OG 3.24Å; H116-S119 PolarHBondContact O-N 3.01Å; S119-L122 PolarHBondContact O-N 2.98Å; S119-S123 VanDerWaalsContact O-CB 3.24Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 2.94Å; S119-S123 PolarHBondContact O-OG 2.95Å
120S90.9Very high93.2Very high77 Ų7751.8 Ų51.854%0.53829%0.29SS..Hα-helixtrans-60.8-45.9175.5-1750000111.7H116 M117 L118 S123 S124H116-S120 WeakPolarHBondContact O-CB 3.19Å; H116-S120 PolarHBondContact O-N 3.49Å; M117-S120 WeakPolarHBondContact O-CB 3.47Å; M117-S120 PolarHBondContact O-N 3.44Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.29Å; S120-S123 PolarHBondContact O-N 2.86Å; S120-S124 PolarHBondContact O-N 3.46Å
121I89.8Confident93.1Very high87 Ų8749 Ų4945%0.44628%0.276SS..Hα-helixtrans-66.8-46.5177.5-65169.3000111.1M117 L118 S123 S124 F127M117-I121 WeakPolarHBondContact O-CG1 3.41Å; M117-I121 PolarHBondContact O-N 3.04Å; M117-I121 VanDerWaalsContact O-N 3.09Å; L118-I121 PolarHBondContact O-N 3.42Å; I121-S123 PolarHBondContact O-N 3.09Å; I121-S124 VanDerWaalsContact O-CB 3.24Å; I121-S124 WeakPolarHBondContact O-CB 3.43Å; I121-S124 PolarHBondContact O-N 3.42Å; I121-S124 PolarHBondContact O-OG 3.3Å; I121-F127 HydrophobicContact CG2-CZ 4.43Å; I121-F127 WeakPolarHBondContact O-CE2 3.49Å
122L92.4Very high93.1Very high16 Ų1651.8 Ų51.88%0.08429%0.293CS..Hα-helixtrans-67.4-22.3-179.1-70.9174000113.4W57 I69 I93 L118 S119 S124W57-L122 HydrophobicContact CD2-CD2 3.93Å; W57-L122 HydrophobicContact CE3-CD2 4.18Å; W57-L122 HydrophobicContact CG-CD2 4.48Å; W57-L122 HydrophobicContact CH2-CD2 4.19Å; W57-L122 HydrophobicContact CZ2-CD2 3.93Å; W57-L122 HydrophobicContact CZ3-CD2 4.32Å; I69-L122 HydrophobicContact CD1-CD1 4.29Å; I69-L122 HydrophobicContact CG2-CD1 3.59Å; I69-L122 HydrophobicContact CG2-CD2 4.01Å; I69-L122 HydrophobicContact CG2-CG 4.48Å; I93-L122 HydrophobicContact CD1-CD1 3.99Å; I93-L122 HydrophobicContact CG1-CD1 3.72Å; L118-L122 HydrophobicContact CD1-CD1 4.16Å; L118-L122 HydrophobicContact CD1-CG 4.31Å; L118-L122 HydrophobicContact CG-CD1 3.91Å; L118-L122 HydrophobicContact CG-CG 4.46Å; L118-L122 WeakPolarHBondContact O-CB 3.4Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.43Å; L118-L122 PolarHBondContact O-N 2.85Å; S119-L122 PolarHBondContact O-N 2.98Å; L122-S124 VanDerWaalsContact C-N 3.33Å
123S90Very high93.2Very high99 Ų9948.7 Ų48.769%0.69227%0.269SS*.THydrogen-bonded Turntrans-84.8-8.7173.2-53.80000112.8S119 S120 I121S119-S123 VanDerWaalsContact O-CB 3.24Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 2.94Å; S119-S123 PolarHBondContact O-OG 2.95Å; S120-S123 PolarHBondContact O-N 2.86Å; I121-S123 PolarHBondContact O-N 3.09Å
124S87.8Confident93.2Very high39 Ų3945.8 Ų45.827%0.27325%0.251SS..SBendtrans-68.1145.4176.173.30000111.1S120 I121 L122 F127S120-S124 PolarHBondContact O-N 3.46Å; I121-S124 VanDerWaalsContact O-CB 3.24Å; I121-S124 WeakPolarHBondContact O-CB 3.43Å; I121-S124 PolarHBondContact O-N 3.42Å; I121-S124 PolarHBondContact O-OG 3.3Å; L122-S124 VanDerWaalsContact C-N 3.33Å; S124-F127 WeakPolarHBondContact O-CD2 3.33Å; S124-F127 WeakPolarHBondContact O-CE2 3.47Å; S124-F127 VanDerWaalsContact OG-CE2 3.24Å; S124-F127 WeakPolarHBondContact OG-CE2 3.47Å; S124-F127 WeakPolarHBondContact OG-CZ 3.24Å
125E89.3Confident93.3Very high92 Ų9241.1 Ų41.143%0.4323%0.233SC..SBendtrans-80.9152.5-179.9-64.9-140.113600112.8K87 Y496 L499 Q500K87-E125 IonicContact NZ-OE1 2.67Å; K87-E125 PolarHBondContact NZ-OE1 2.87Å; K87-E125 IonicContact NZ-OE2 3.47Å; K87-E125 PolarHBondContact NZ-OE2 2.91Å; E125-Y496 HydrophobicContact CB-CD1 4.22Å; E125-Y496 HydrophobicContact CB-CE1 3.84Å; E125-Y496 WeakPolarHBondContact OE2-CE1 2.87Å; E125-Y496 PolarHBondContact OE2-OH 3.22Å; E125-L499 HydrophobicContact CB-CD2 4.26Å; E125-Q500 PolarHBondContact O-NE2 3.45Å; E125-Q500 VanDerWaalsContact O-NE2 3.1Å
126G93.7Very high93.5Very high0 Ų039.8 Ų39.80%022%0.224CC..  trans102.429.7167.500000114.9Y128 Q201 G202G126-Y128 VanDerWaalsContact C-CE2 3.48Å; G126-Y128 WeakPolarHBondContact O-CD2 3.44Å; G126-Y128 WeakPolarHBondContact O-CE2 3.19Å; G126-Q201 CarbonylContact O-C 3.53Å; G126-Q201 WeakPolarHBondContact O-CA 3.35Å; G126-G202 WeakPolarHBondContact CA-O 3.48Å; G126-G202 PolarHBondContact O-N 3.49Å
127F97.2Very high93.6Very high2 Ų234.1 Ų34.11%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-94.5128.9166.9-60.6-66.3000110.9W57 K87 I88 I121 S124 W164 I199 I200 Q201W57-F127 HydrophobicContact CH2-CB 4.12Å; W57-F127 AromaticContact CH2-CD1 3.55Å; W57-F127 HydrophobicContact CH2-CD1 3.55Å; W57-F127 AromaticContact CH2-CD2 3.81Å; W57-F127 HydrophobicContact CH2-CD2 3.81Å; W57-F127 AromaticContact CH2-CE1 3.78Å; W57-F127 HydrophobicContact CH2-CE1 3.78Å; W57-F127 HydrophobicContact CH2-CE2 4.02Å; W57-F127 AromaticContact CH2-CG 3.55Å; W57-F127 HydrophobicContact CH2-CG 3.55Å; W57-F127 AromaticContact CH2-CZ 4Å; W57-F127 HydrophobicContact CH2-CZ 4Å; W57-F127 HydrophobicContact CZ2-CB 4.15Å; W57-F127 HydrophobicContact CZ2-CD1 4.36Å; W57-F127 AromaticContact CZ2-CD2 3.94Å; W57-F127 HydrophobicContact CZ2-CD2 3.94Å; W57-F127 HydrophobicContact CZ2-CE2 4.4Å; W57-F127 AromaticContact CZ2-CG 3.9Å; W57-F127 HydrophobicContact CZ2-CG 3.9Å; W57-F127 HydrophobicContact CZ3-CD1 4.45Å; W57-F127 HydrophobicContact CZ3-CE1 4.46Å; K87-F127 WeakPolarHBondContact CA-O 3.45Å; I88-F127 HydrophobicContact CB-CB 4.16Å; I88-F127 HydrophobicContact CD1-CB 3.99Å; I88-F127 HydrophobicContact CG1-CB 4.42Å; I88-F127 PolarHBondContact N-O 2.86Å; I121-F127 HydrophobicContact CG2-CZ 4.43Å; I121-F127 WeakPolarHBondContact O-CE2 3.49Å; S124-F127 WeakPolarHBondContact O-CD2 3.33Å; S124-F127 WeakPolarHBondContact O-CE2 3.47Å; S124-F127 VanDerWaalsContact OG-CE2 3.24Å; S124-F127 WeakPolarHBondContact OG-CE2 3.47Å; S124-F127 WeakPolarHBondContact OG-CZ 3.24Å; F127-W164 AromaticContact CE1-CD1 3.54Å; F127-W164 HydrophobicContact CE1-CD2 4.35Å; F127-W164 AromaticContact CE1-CG 3.94Å; F127-W164 HydrophobicContact CE1-CG 3.94Å; F127-W164 AromaticContact CE1-NE1 3.68Å; F127-I199 HydrophobicContact CB-CG2 3.83Å; F127-I199 HydrophobicContact CD1-CG2 4.12Å; F127-I199 HydrophobicContact CG-CG2 4.36Å; F127-I200 WeakPolarHBondContact CA-O 3.22Å; F127-Q201 HydrophobicContact CD1-CB 3.9Å; F127-Q201 HydrophobicContact CD1-CG 4.01Å; F127-Q201 HydrophobicContact CE1-CB 3.77Å; F127-Q201 HydrophobicContact CE1-CG 3.67Å; F127-Q201 HydrophobicContact CZ-CG 4.41Å
128Y98.2Very high93.9Very high4 Ų429.4 Ų29.42%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-132.8149.4-176.8-59.1-97000110.9V77 F86 K87 G126 I200 Y203 V204V77-Y128 HydrophobicContact CG2-CD1 3.97Å; V77-Y128 HydrophobicContact CG2-CE1 3.83Å; F86-Y128 VanDerWaalsContact O-CA 3.24Å; F86-Y128 WeakPolarHBondContact O-CA 3.34Å; K87-Y128 HydrophobicContact CB-CD1 3.85Å; K87-Y128 HydrophobicContact CB-CE1 3.65Å; K87-Y128 HydrophobicContact CD-CE1 4.32Å; K87-Y128 HydrophobicContact CG-CD1 4.26Å; K87-Y128 HydrophobicContact CG-CE1 3.82Å; G126-Y128 VanDerWaalsContact C-CE2 3.48Å; G126-Y128 WeakPolarHBondContact O-CD2 3.44Å; G126-Y128 WeakPolarHBondContact O-CE2 3.19Å; Y128-I200 PolarHBondContact N-O 3.2Å; Y128-I200 WeakPolarHBondContact O-CG1 3.38Å; Y128-I200 PolarHBondContact O-N 3.23Å; Y128-Y203 WeakPolarHBondContact OH-CD2 3.46Å; Y128-V204 HydrophobicContact CD1-CB 3.71Å; Y128-V204 HydrophobicContact CD1-CG2 3.82Å; Y128-V204 HydrophobicContact CD2-CG2 4.08Å; Y128-V204 HydrophobicContact CE1-CB 3.84Å; Y128-V204 HydrophobicContact CE1-CG2 4.35Å; Y128-V204 HydrophobicContact CG-CB 4.07Å; Y128-V204 HydrophobicContact CG-CG2 3.66Å; Y128-V204 VanDerWaalsContact CZ-N 3.35Å
129Y97.5Very high94Very high1 Ų128.5 Ų28.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-151.5166.2174.875.4-82000110.9Y54 I71 R74 F86 I88 V197Y54-Y129 WeakPolarHBondContact CB-OH 3.11Å; Y54-Y129 PolarHBondContact O-OH 3.01Å; I71-Y129 HydrophobicContact CD1-CD1 4.17Å; I71-Y129 HydrophobicContact CD1-CE1 3.8Å; I71-Y129 HydrophobicContact CG2-CE1 4.48Å; R74-Y129 WeakPolarHBondContact CD-OH 3.32Å; R74-Y129 PolarHBondContact NH1-OH 2.95Å; R74-Y129 VanDerWaalsContact NH1-OH 3.09Å; F86-Y129 HydrophobicContact CB-CD1 4.11Å; F86-Y129 HydrophobicContact CB-CE1 3.75Å; F86-Y129 HydrophobicContact CD2-CE2 4.24Å; F86-Y129 PolarHBondContact N-O 2.8Å; F86-Y129 PolarHBondContact O-N 2.69Å; I88-Y129 HydrophobicContact CD1-CD1 3.99Å; I88-Y129 HydrophobicContact CD1-CE1 4.35Å; I88-Y129 HydrophobicContact CG1-CD1 3.72Å; I88-Y129 HydrophobicContact CG1-CE1 3.78Å; Y129-V197 HydrophobicContact CD2-CG2 3.42Å; Y129-V197 VanDerWaalsContact CD2-CG2 3.42Å; Y129-V197 HydrophobicContact CE2-CG2 4.12Å; Y129-V197 HydrophobicContact CG-CG2 4.05Å
130S96.5Very high94.2Very high4 Ų427.3 Ų27.33%0.02816%0.159CC..  trans-140.3143.9165.41780000109.1T84 T132 Y133T84-S130 VanDerWaalsContact O-CB 3.3Å; T84-S130 WeakPolarHBondContact O-CB 3.39Å; T84-S130 PolarHBondContact O-OG 2.9Å; S130-T132 VanDerWaalsContact C-N 3.31Å; S130-T132 PolarHBondContact OG-N 2.92Å; S130-Y133 WeakPolarHBondContact CB-O 3.25Å; S130-Y133 PolarHBondContact OG-N 3.37Å; S130-Y133 VanDerWaalsContact OG-N 3.1Å
131S93.7Very high94.4Very high7 Ų725.5 Ų25.55%0.04914%0.141CC..SBendtrans-79.8-17177.8-67.10000112.9V2 D4 I154V2-S131 PolarHBondContact N-O 3.22Å; V2-S131 VanDerWaalsContact O-CB 3.31Å; V2-S131 WeakPolarHBondContact O-CB 3.2Å; D4-S131 VanDerWaalsContact CB-OG 3.26Å; D4-S131 WeakPolarHBondContact CB-OG 3.05Å; S131-I154 WeakPolarHBondContact O-CD1 3.19Å
132T92.7Very high94.5Very high60 Ų6022.2 Ų22.237%0.36812%0.124SC..SBendtrans-123-24.4-173.5620000113.1M1 N83 S130M1-T132 HydrophobicContact CG-CG2 4.49Å; M1-T132 HydrophobicContact SD-CG2 4.48Å; N83-T132 WeakPolarHBondContact CB-OG1 3.49Å; N83-T132 VanDerWaalsContact OD1-CB 3.27Å; N83-T132 WeakPolarHBondContact OD1-CB 3.47Å; N83-T132 PolarHBondContact OD1-OG1 3.34Å; S130-T132 VanDerWaalsContact C-N 3.31Å; S130-T132 PolarHBondContact OG-N 2.92Å
133Y93.9Very high94.5Very high17 Ų1722.8 Ų22.87%0.06713%0.129CC..SBendtrans-112.3136.4178.5-171.2-106.8000112.2F81 N83 I85 S130 L135 L142F81-Y133 HydrophobicContact CD2-CE2 4.15Å; N83-Y133 HydrophobicContact CB-CG 4.33Å; I85-Y133 HydrophobicContact CD1-CD1 4.3Å; S130-Y133 WeakPolarHBondContact CB-O 3.25Å; S130-Y133 PolarHBondContact OG-N 3.37Å; S130-Y133 VanDerWaalsContact OG-N 3.1Å; Y133-L135 HydrophobicContact CD1-CD2 3.77Å; Y133-L135 HydrophobicContact CD1-CG 4.23Å; Y133-L135 HydrophobicContact CE1-CD2 4.05Å; Y133-L135 PolarHBondContact O-N 2.95Å; Y133-L142 HydrophobicContact CE2-CD1 4.12Å
134D94.5Very high94.5Very high1 Ų121.8 Ų21.81%0.00512%0.116CC..  trans-85.999.6176.7-175.2-4.2000109.9S136 H137 I154 R157D134-S136 PolarHBondContact O-N 2.89Å; D134-S136 VanDerWaalsContact OD1-CB 3.31Å; D134-S136 WeakPolarHBondContact OD1-CB 3.2Å; D134-S136 PolarHBondContact OD1-N 3.03Å; D134-S136 PolarHBondContact OD1-OG 2.77Å; D134-H137 IonicContact OD2-CD2 3.87Å; D134-H137 PolarHBondContact OD2-CD2 3.4Å; D134-I154 HydrophobicContact CB-CG2 4.09Å; D134-R157 IonicContact OD2-CZ 2.67Å; D134-R157 IonicContact OD2-NH1 3.94Å
135L96.9Very high94.6Very high6 Ų621.4 Ų21.43%0.03111%0.112CC..THydrogen-bonded Turntrans-72-14.8178.9-73.1175000113.6I85 Y133 I200 I226 R228I85-L135 HydrophobicContact CD1-CD2 3.94Å; I85-L135 HydrophobicContact CD1-CG 4.4Å; I85-L135 HydrophobicContact CG2-CD1 4.01Å; Y133-L135 HydrophobicContact CD1-CD2 3.77Å; Y133-L135 HydrophobicContact CD1-CG 4.23Å; Y133-L135 HydrophobicContact CE1-CD2 4.05Å; Y133-L135 PolarHBondContact O-N 2.95Å; L135-I200 HydrophobicContact CB-CD1 4.03Å; L135-I200 HydrophobicContact CB-CG1 4.28Å; L135-I200 HydrophobicContact CB-CG2 3.98Å; L135-I200 HydrophobicContact CD1-CD1 4.23Å; L135-I200 HydrophobicContact CD1-CG1 4.25Å; L135-I226 HydrophobicContact CD2-CD1 3.97Å; L135-R228 WeakPolarHBondContact O-CD 3.35Å; L135-R228 PolarHBondContact O-NH1 2.96Å
136S96.5Very high94.5Very high1 Ų122.9 Ų22.91%0.00712%0.123CC..THydrogen-bonded Turntrans-76.5-26-174.372.70000113.1D134 A158 D159 F162 R228D134-S136 PolarHBondContact O-N 2.89Å; D134-S136 VanDerWaalsContact OD1-CB 3.31Å; D134-S136 WeakPolarHBondContact OD1-CB 3.2Å; D134-S136 PolarHBondContact OD1-N 3.03Å; D134-S136 PolarHBondContact OD1-OG 2.77Å; S136-A158 WeakPolarHBondContact OG-CA 3.41Å; S136-D159 PolarHBondContact OG-N 3.33Å; S136-F162 WeakPolarHBondContact O-CD2 3.43Å; S136-R228 WeakPolarHBondContact O-CD 3.4Å
137H96.1Very high94.2Very high19 Ų1927.5 Ų27.59%0.08815%0.153CC..SBendtrans-99.9155.7176.7-77.4-60.8000112.2D134 R141 L142 F149 R157 D159 R228D134-H137 IonicContact OD2-CD2 3.87Å; D134-H137 PolarHBondContact OD2-CD2 3.4Å; H137-R141 HydrophobicContact CB-CB 4.27Å; H137-L142 HydrophobicContact CB-CD1 4.35Å; H137-L142 HydrophobicContact CB-CD2 3.72Å; H137-L142 HydrophobicContact CB-CG 3.69Å; H137-F149 AromaticContact NE2-CZ 3.99Å; H137-R157 PolarHBondContact CD2-O 3.09Å; H137-R157 PolarHBondContact NE2-O 2.9Å; H137-D159 IonicContact CE1-OD2 3.66Å; H137-D159 IonicContact ND1-OD2 3.77Å; H137-D159 PolarHBondContact NE2-N 3.05Å; H137-R228 PolarHBondContact O-NH1 2.79Å
138T97.2Very high93.7Very high6 Ų636 Ų364%0.03719%0.19CC..  trans-74.5157.4165.763.90000109.9Q140 R141 L142 E254 E256 V269T138-Q140 PolarHBondContact O-N 3.37Å; T138-R141 PolarHBondContact O-N 2.81Å; T138-R141 WeakPolarHBondContact OG1-CG 3.24Å; T138-R141 PolarHBondContact OG1-N 3.07Å; T138-R141 VanDerWaalsContact OG1-N 3.12Å; T138-L142 WeakPolarHBondContact O-CG 3.43Å; T138-L142 PolarHBondContact O-N 3.07Å; T138-E254 VanDerWaalsContact CG2-CD 3.47Å; T138-E254 HydrophobicContact CG2-CG 4.5Å; T138-E254 WeakPolarHBondContact CG2-OE1 3.11Å; T138-E256 WeakPolarHBondContact CA-OE1 3.18Å; T138-E256 WeakPolarHBondContact CA-OE2 3.23Å; T138-V269 HydrophobicContact CG2-CG1 4.18Å; T138-V269 HydrophobicContact CG2-CG2 3.6Å
139L96.8Very high93.2Very high12 Ų1239.1 Ų39.16%0.06320%0.204CC..Hα-helixtrans-57-36.7172.6-177.661000111.5F81 L142 S143 E256 L258 R265 L408 I410F81-L139 HydrophobicContact CE2-CD1 3.91Å; F81-L139 HydrophobicContact CE2-CD2 3.91Å; F81-L139 HydrophobicContact CE2-CG 4.45Å; F81-L139 HydrophobicContact CZ-CD2 3.76Å; L139-L142 PolarHBondContact O-N 3.08Å; L139-S143 WeakPolarHBondContact O-CB 3.37Å; L139-S143 PolarHBondContact O-N 2.92Å; L139-S143 PolarHBondContact O-OG 3.2Å; L139-S143 VanDerWaalsContact O-OG 3.06Å; L139-E256 WeakPolarHBondContact CB-OE1 3.42Å; L139-E256 PolarHBondContact N-OE1 3.31Å; L139-L258 HydrophobicContact CB-CD2 3.96Å; L139-L258 HydrophobicContact CD2-CD2 4.1Å; L139-R265 HydrophobicContact CD2-CB 4.4Å; L139-L408 HydrophobicContact CB-CD2 4Å; L139-L408 HydrophobicContact CD2-CD2 3.9Å; L139-L408 HydrophobicContact CG-CD2 3.64Å; L139-I410 HydrophobicContact CD2-CD1 4.26Å; L139-I410 HydrophobicContact CG-CD1 4.29Å
140Q96.4Very high92.5Very high24 Ų2443.8 Ų43.811%0.11222%0.224CC..Hα-helixtrans-64.8-47.8177.7-177.2161.4-69.200111.8T138 L142 S143 D144 L408 Q422T138-Q140 PolarHBondContact O-N 3.37Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.39Å; Q140-S143 WeakPolarHBondContact O-CB 3.32Å; Q140-S143 PolarHBondContact O-N 3.05Å; Q140-S143 VanDerWaalsContact O-N 3.09Å; Q140-D144 PolarHBondContact O-N 3.04Å; Q140-L408 HydrophobicContact CB-CB 4.37Å; Q140-L408 HydrophobicContact CB-CD1 4.23Å; Q140-L408 HydrophobicContact CB-CD2 3.91Å; Q140-L408 HydrophobicContact CB-CG 4.4Å; Q140-L408 HydrophobicContact CG-CD1 4.11Å; Q140-Q422 PolarHBondContact NE2-O 3.11Å
141R94.5Very high92Very high39 Ų3947.7 Ų47.715%0.14726%0.257CS..Hα-helixtrans-58.6-44.9175.9-75.5-175-169.7114.512.2111.1H137 T138 S143 D144 T145 E254 Y336 Y338H137-R141 HydrophobicContact CB-CB 4.27Å; T138-R141 PolarHBondContact O-N 2.81Å; T138-R141 WeakPolarHBondContact OG1-CG 3.24Å; T138-R141 PolarHBondContact OG1-N 3.07Å; T138-R141 VanDerWaalsContact OG1-N 3.12Å; R141-S143 VanDerWaalsContact C-N 3.32Å; R141-S143 PolarHBondContact O-N 3.29Å; R141-D144 PolarHBondContact O-N 3.34Å; R141-T145 WeakPolarHBondContact O-CG2 3.49Å; R141-T145 PolarHBondContact O-N 3.14Å; R141-T145 VanDerWaalsContact O-N 3.16Å; R141-E254 IonicContact CZ-OE2 2.7Å; R141-E254 IonicContact NH1-OE1 3.97Å; R141-E254 IonicContact NH1-OE2 3.64Å; R141-E254 PolarHBondContact NH1-OE2 2.98Å; R141-E254 IonicContact NH2-OE2 3.06Å; R141-E254 PolarHBondContact NH2-OE2 2.89Å; R141-Y336 PolarHBondContact NE-O 3.37Å; R141-Y336 PolarHBondContact NH2-O 3.27Å; R141-Y338 PolarHBondContact NH2-OH 3.22Å
142L93.1Very high91.7Very high18 Ų1849.6 Ų49.69%0.09427%0.27CS..Hα-helixtrans-60.2-43.5175.5-69.4179.7000111.4Y133 H137 T138 L139 Q140 D144 T145 K150Y133-L142 HydrophobicContact CE2-CD1 4.12Å; H137-L142 HydrophobicContact CB-CD1 4.35Å; H137-L142 HydrophobicContact CB-CD2 3.72Å; H137-L142 HydrophobicContact CB-CG 3.69Å; T138-L142 WeakPolarHBondContact O-CG 3.43Å; T138-L142 PolarHBondContact O-N 3.07Å; L139-L142 PolarHBondContact O-N 3.08Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.39Å; L142-D144 PolarHBondContact O-N 2.76Å; L142-T145 PolarHBondContact O-N 3.03Å; L142-T145 PolarHBondContact O-OG1 3.02Å; L142-K150 WeakPolarHBondContact O-CE 3.24Å; L142-K150 PolarHBondContact O-NZ 2.77Å
143S92.1Very high91.6Very high28 Ų2847.3 Ų47.320%0.19626%0.256CS..Hα-helixtrans-62.8-41.9178.8-72.70000113L139 Q140 R141 T145 K150 I410L139-S143 WeakPolarHBondContact O-CB 3.37Å; L139-S143 PolarHBondContact O-N 2.92Å; L139-S143 PolarHBondContact O-OG 3.2Å; L139-S143 VanDerWaalsContact O-OG 3.06Å; Q140-S143 WeakPolarHBondContact O-CB 3.32Å; Q140-S143 PolarHBondContact O-N 3.05Å; Q140-S143 VanDerWaalsContact O-N 3.09Å; R141-S143 VanDerWaalsContact C-N 3.32Å; R141-S143 PolarHBondContact O-N 3.29Å; S143-T145 VanDerWaalsContact C-N 3.29Å; S143-T145 PolarHBondContact O-N 3.34Å; S143-K150 PolarHBondContact O-NZ 2.9Å; S143-I410 VanDerWaalsContact OG-CD1 3.25Å; S143-I410 WeakPolarHBondContact OG-CD1 3.49Å
144D90.6Very high91.5Very high77 Ų7746.9 Ų46.941%0.41226%0.255SS..Hα-helixtrans-78.9-8.8-177.2-69.2-27.5000114Q140 R141 L142 R421Q140-D144 PolarHBondContact O-N 3.04Å; R141-D144 PolarHBondContact O-N 3.34Å; L142-D144 PolarHBondContact O-N 2.76Å; D144-R421 IonicContact OD1-CZ 3.33Å; D144-R421 VanDerWaalsContact OD1-CZ 3.22Å; D144-R421 IonicContact OD1-NE 3.69Å; D144-R421 PolarHBondContact OD1-NE 3.47Å; D144-R421 IonicContact OD1-NH2 3.89Å; D144-R421 PolarHBondContact OD1-NH2 3.5Å; D144-R421 IonicContact OD2-NE 3.58Å
145T88.7Confident91.3Very high32 Ų3247.3 Ų47.320%0.19626%0.257CS..SBendtrans-77.6146176.957.60000113.6R141 L142 S143 F149 K150R141-T145 WeakPolarHBondContact O-CG2 3.49Å; R141-T145 PolarHBondContact O-N 3.14Å; R141-T145 VanDerWaalsContact O-N 3.16Å; L142-T145 PolarHBondContact O-N 3.03Å; L142-T145 PolarHBondContact O-OG1 3.02Å; S143-T145 VanDerWaalsContact C-N 3.29Å; S143-T145 PolarHBondContact O-N 3.34Å; T145-F149 VanDerWaalsContact CB-CD1 3.43Å; T145-F149 HydrophobicContact CG2-CD1 3.43Å; T145-F149 VanDerWaalsContact CG2-CD1 3.43Å; T145-F149 HydrophobicContact CG2-CE1 3.52Å; T145-F149 HydrophobicContact CG2-CG 4.18Å; T145-F149 HydrophobicContact CG2-CZ 4.35Å; T145-K150 VanDerWaalsContact O-CE 3.23Å; T145-K150 WeakPolarHBondContact O-CE 3.4Å; T145-K150 PolarHBondContact O-NZ 2.97Å; T145-K150 WeakPolarHBondContact OG1-CE 3.49Å
146D88.8Confident91.1Very high122 Ų12251.4 Ų51.465%0.65228%0.276SS*.  trans-59149.1177.1-99-51.3000112.8K148 F149 K150D146-K148 PolarHBondContact O-N 3.09Å; D146-K148 VanDerWaalsContact O-N 3.11Å; D146-F149 WeakPolarHBondContact O-CB 3.22Å; D146-F149 PolarHBondContact O-N 3.23Å; D146-K150 PolarHBondContact O-N 3.04Å; D146-K150 VanDerWaalsContact O-N 3.13Å
147P86Confident90.9Very high97 Ų9752.9 Ų52.963%0.6328%0.281SS*.Hα-helixtrans-54.3-33.2175.9-26.234.5000113.6K150 A151P147-K150 PolarHBondContact O-N 3.39Å; P147-A151 PolarHBondContact O-N 2.99Å
148K87.4Confident90.8Very high182 Ų18252.3 Ų52.379%0.79128%0.28SS*.Hα-helixtrans-62.9-43.2175.6-69.7-177.8179.7176.90112D146 K150 A151 S152D146-K148 PolarHBondContact O-N 3.09Å; D146-K148 VanDerWaalsContact O-N 3.11Å; K148-K150 VanDerWaalsContact C-N 3.32Å; K148-A151 WeakPolarHBondContact O-CB 3.43Å; K148-A151 PolarHBondContact O-N 3.12Å; K148-S152 PolarHBondContact O-N 2.65Å; K148-S152 PolarHBondContact O-OG 3.06Å
149F87.4Confident90.7Very high69 Ų6952.7 Ų52.730%0.30328%0.282SS..Hα-helixtrans-66.2-36.9177.5-177-94.2000111.7H137 T145 D146 A151 S152 R157H137-F149 AromaticContact NE2-CZ 3.99Å; T145-F149 VanDerWaalsContact CB-CD1 3.43Å; T145-F149 HydrophobicContact CG2-CD1 3.43Å; T145-F149 VanDerWaalsContact CG2-CD1 3.43Å; T145-F149 HydrophobicContact CG2-CE1 3.52Å; T145-F149 HydrophobicContact CG2-CG 4.18Å; T145-F149 HydrophobicContact CG2-CZ 4.35Å; D146-F149 WeakPolarHBondContact O-CB 3.22Å; D146-F149 PolarHBondContact O-N 3.23Å; F149-A151 VanDerWaalsContact C-N 3.26Å; F149-A151 PolarHBondContact O-N 3.13Å; F149-S152 WeakPolarHBondContact O-CB 3.24Å; F149-S152 PolarHBondContact O-N 3.03Å; F149-R157 HydrophobicContact CD1-CB 4.24Å; F149-R157 HydrophobicContact CD2-CB 4.3Å; F149-R157 HydrophobicContact CE1-CB 3.72Å; F149-R157 HydrophobicContact CE1-CG 4.3Å; F149-R157 HydrophobicContact CE2-CB 3.76Å; F149-R157 HydrophobicContact CZ-CB 3.47Å; F149-R157 VanDerWaalsContact CZ-CB 3.47Å; F149-R157 HydrophobicContact CZ-CG 4.43Å; F149-R157 WeakPolarHBondContact CZ-O 3.03Å; F149-R157 WeakPolarHBondContact O-CD 3.48Å
150K83Confident90.7Very high98 Ų9855.8 Ų55.843%0.42630%0.301SS..Hα-helixtrans-66.9-27.3174.3-67.9171.9178156.50113L142 S143 T145 D146 P147 K148L142-K150 WeakPolarHBondContact O-CE 3.24Å; L142-K150 PolarHBondContact O-NZ 2.77Å; S143-K150 PolarHBondContact O-NZ 2.9Å; T145-K150 VanDerWaalsContact O-CE 3.23Å; T145-K150 WeakPolarHBondContact O-CE 3.4Å; T145-K150 PolarHBondContact O-NZ 2.97Å; T145-K150 WeakPolarHBondContact OG1-CE 3.49Å; D146-K150 PolarHBondContact O-N 3.04Å; D146-K150 VanDerWaalsContact O-N 3.13Å; P147-K150 PolarHBondContact O-N 3.39Å; K148-K150 VanDerWaalsContact C-N 3.32Å
151A85.3Confident90.6Very high87 Ų8755.6 Ų55.672%0.71930%0.299SS*.Hα-helixtrans-79.4-22.1176.200000113.2P147 K148 F149P147-A151 PolarHBondContact O-N 2.99Å; K148-A151 WeakPolarHBondContact O-CB 3.43Å; K148-A151 PolarHBondContact O-N 3.12Å; F149-A151 VanDerWaalsContact C-N 3.26Å; F149-A151 PolarHBondContact O-N 3.13Å
152S88.2Confident90.7Very high46 Ų4653.9 Ų53.932%0.32229%0.293SS..SBendtrans-61.7156.2172.9-61.10000111.8K148 F149K148-S152 PolarHBondContact O-N 2.65Å; K148-S152 PolarHBondContact O-OG 3.06Å; F149-S152 WeakPolarHBondContact O-CB 3.24Å; F149-S152 PolarHBondContact O-N 3.03Å
153S89.8Confident90.9Very high12 Ų1253.1 Ų53.18%0.08429%0.289CS..  trans-61.7154.2177.268.70000111.4Y155 E156 R157 F193S153-Y155 PolarHBondContact O-N 3.25Å; S153-E156 VanDerWaalsContact CB-OE2 3.32Å; S153-E156 WeakPolarHBondContact CB-OE2 3.26Å; S153-E156 PolarHBondContact N-OE2 3.03Å; S153-E156 PolarHBondContact O-N 2.71Å; S153-E156 WeakPolarHBondContact OG-CB 3.46Å; S153-E156 WeakPolarHBondContact OG-CG 3.38Å; S153-E156 PolarHBondContact OG-N 3.01Å; S153-E156 PolarHBondContact OG-OE2 2.98Å; S153-R157 WeakPolarHBondContact O-CG 3.24Å; S153-R157 PolarHBondContact O-N 3.45Å; S153-F193 VanDerWaalsContact OG-CB 3.25Å; S153-F193 WeakPolarHBondContact OG-CB 3.4Å
154I91.5Very high91.1Very high8 Ų854.7 Ų54.74%0.04129%0.291CS..Hα-helixtrans-57.7-36.6177.9-64172.5000110.3V2 S131 D134 A158 P198V2-I154 HydrophobicContact CG2-CB 4.34Å; V2-I154 HydrophobicContact CG2-CD1 4.5Å; S131-I154 WeakPolarHBondContact O-CD1 3.19Å; D134-I154 HydrophobicContact CB-CG2 4.09Å; I154-A158 VanDerWaalsContact O-CB 3.31Å; I154-A158 WeakPolarHBondContact O-CB 3.21Å; I154-A158 PolarHBondContact O-N 2.87Å; I154-A158 VanDerWaalsContact O-N 3.07Å; I154-P198 HydrophobicContact CG2-CG 3.95Å
155Y92.1Very high91.4Very high10 Ų1051.1 Ų51.14%0.03927%0.272CS..Hα-helixtrans-65.4-44.1177.2168.3-103.6000114.4S153 R157 K166 L169 N170 E173 F193 C196S153-Y155 PolarHBondContact O-N 3.25Å; Y155-R157 VanDerWaalsContact C-N 3.31Å; Y155-K166 HydrophobicContact CE2-CD 4.15Å; Y155-K166 VanDerWaalsContact CE2-NZ 3.26Å; Y155-L169 HydrophobicContact CD2-CB 4.23Å; Y155-L169 HydrophobicContact CD2-CD1 3.8Å; Y155-L169 HydrophobicContact CE2-CB 3.63Å; Y155-L169 HydrophobicContact CE2-CD1 4.01Å; Y155-L169 HydrophobicContact CE2-CG 4.47Å; Y155-N170 PolarHBondContact OH-OD1 2.98Å; Y155-E173 HydrophobicContact CE1-CB 4.23Å; Y155-E173 HydrophobicContact CE1-CG 3.88Å; Y155-F193 AromaticContact CD1-CD1 3.45Å; Y155-F193 HydrophobicContact CD1-CD1 3.45Å; Y155-F193 VanDerWaalsContact CD1-CD1 3.45Å; Y155-F193 AromaticContact CD1-CE1 3.94Å; Y155-F193 HydrophobicContact CD1-CE1 3.94Å; Y155-F193 HydrophobicContact CD1-CG 4.29Å; Y155-F193 AromaticContact CE1-CD1 3.83Å; Y155-F193 HydrophobicContact CE1-CD1 3.83Å; Y155-F193 AromaticContact CE1-CE1 3.92Å; Y155-F193 HydrophobicContact CE1-CE1 3.92Å; Y155-C196 HydrophobicContact CD1-CB 4.14Å; Y155-C196 HydrophobicContact CD2-CB 3.65Å; Y155-C196 HydrophobicContact CE2-CB 4.31Å; Y155-C196 HydrophobicContact CG-CB 3.52Å
156E91.8Very high91.7Very high93 Ų9351.4 Ų51.444%0.43527%0.27SS..Hα-helixtrans-66.3-38-178.6-75.2168.3112.400111.6S153 F193S153-E156 VanDerWaalsContact CB-OE2 3.32Å; S153-E156 WeakPolarHBondContact CB-OE2 3.26Å; S153-E156 PolarHBondContact N-OE2 3.03Å; S153-E156 PolarHBondContact O-N 2.71Å; S153-E156 WeakPolarHBondContact OG-CB 3.46Å; S153-E156 WeakPolarHBondContact OG-CG 3.38Å; S153-E156 PolarHBondContact OG-N 3.01Å; S153-E156 PolarHBondContact OG-OE2 2.98Å; E156-F193 VanDerWaalsContact CD-CD2 3.47Å; E156-F193 HydrophobicContact CG-CD1 4.18Å; E156-F193 HydrophobicContact CG-CD2 3.99Å; E156-F193 HydrophobicContact CG-CE1 3.97Å; E156-F193 HydrophobicContact CG-CE2 3.81Å; E156-F193 HydrophobicContact CG-CG 4.16Å; E156-F193 HydrophobicContact CG-CZ 3.75Å; E156-F193 WeakPolarHBondContact OE1-CE2 3.5Å; E156-F193 WeakPolarHBondContact OE1-CZ 3.31Å; E156-F193 WeakPolarHBondContact OE2-CD2 3.4Å
157R92.6Very high92Very high31 Ų3149.8 Ų49.812%0.11727%0.269CS..Hα-helixtrans-90.6-10.9-174.278.4-168.5175.995.9-2.9114.2D134 H137 F149 S153 Y155D134-R157 IonicContact OD2-CZ 2.67Å; D134-R157 IonicContact OD2-NH1 3.94Å; H137-R157 PolarHBondContact CD2-O 3.09Å; H137-R157 PolarHBondContact NE2-O 2.9Å; F149-R157 HydrophobicContact CD1-CB 4.24Å; F149-R157 HydrophobicContact CD2-CB 4.3Å; F149-R157 HydrophobicContact CE1-CB 3.72Å; F149-R157 HydrophobicContact CE1-CG 4.3Å; F149-R157 HydrophobicContact CE2-CB 3.76Å; F149-R157 HydrophobicContact CZ-CB 3.47Å; F149-R157 VanDerWaalsContact CZ-CB 3.47Å; F149-R157 HydrophobicContact CZ-CG 4.43Å; F149-R157 WeakPolarHBondContact CZ-O 3.03Å; F149-R157 WeakPolarHBondContact O-CD 3.48Å; S153-R157 WeakPolarHBondContact O-CG 3.24Å; S153-R157 PolarHBondContact O-N 3.45Å; Y155-R157 VanDerWaalsContact C-N 3.31Å
158A94.2Very high92.5Very high8 Ų846.7 Ų46.77%0.06625%0.247CC..SBendtrans-59138-175.400000112.6S136 I154 T160 T163 P198S136-A158 WeakPolarHBondContact OG-CA 3.41Å; I154-A158 VanDerWaalsContact O-CB 3.31Å; I154-A158 WeakPolarHBondContact O-CB 3.21Å; I154-A158 PolarHBondContact O-N 2.87Å; I154-A158 VanDerWaalsContact O-N 3.07Å; A158-T160 PolarHBondContact O-N 3.49Å; A158-T163 WeakPolarHBondContact CB-OG1 3.49Å; A158-P198 HydrophobicContact CB-CB 3.97Å; A158-P198 HydrophobicContact CB-CG 3.73Å
159D95.3Very high92.9Very high14 Ų1438 Ų388%0.07521%0.209CC..  trans-65.1115.9173.6-163.3-40.2000109.9S136 H137 R161 F162 T163S136-D159 PolarHBondContact OG-N 3.33Å; H137-D159 IonicContact CE1-OD2 3.66Å; H137-D159 IonicContact ND1-OD2 3.77Å; H137-D159 PolarHBondContact NE2-N 3.05Å; D159-R161 PolarHBondContact O-N 3.15Å; D159-R161 WeakPolarHBondContact OD1-CB 3.2Å; D159-R161 VanDerWaalsContact OD1-CG 3.28Å; D159-R161 WeakPolarHBondContact OD1-CG 3.38Å; D159-R161 IonicContact OD1-CZ 3.23Å; D159-R161 PolarHBondContact OD1-N 3.31Å; D159-R161 IonicContact OD1-NE 3.8Å; D159-R161 PolarHBondContact OD1-NE 3.16Å; D159-R161 IonicContact OD1-NH2 3.22Å; D159-R161 IonicContact OD2-CZ 3.98Å; D159-R161 IonicContact OD2-NE 3.83Å; D159-R161 PolarHBondContact OD2-NE 3.29Å; D159-R161 IonicContact OD2-NH2 3.01Å; D159-R161 PolarHBondContact OD2-NH2 2.65Å; D159-F162 HydrophobicContact CB-CD2 4.16Å; D159-F162 PolarHBondContact O-N 2.93Å; D159-F162 VanDerWaalsContact O-N 3.14Å; D159-T163 WeakPolarHBondContact O-CB 3.49Å; D159-T163 PolarHBondContact O-N 3.37Å; D159-T163 PolarHBondContact O-OG1 2.97Å
160T95.3Very high93.3Very high77 Ų7738 Ų3847%0.47221%0.212SC..THydrogen-bonded Turntrans-62.8-27.5-178.854.20000112.1A158 F162 V231A158-T160 PolarHBondContact O-N 3.49Å; T160-F162 PolarHBondContact O-N 3.45Å; T160-V231 WeakPolarHBondContact O-CG2 3.31Å
161R95.5Very high93.8Very high19 Ų1937.8 Ų37.87%0.07221%0.212CC..THydrogen-bonded Turntrans-66-28.2179.4-56.8175.1-63.7154.11.3111.7D159 S230 V231 Y336 Y338D159-R161 PolarHBondContact O-N 3.15Å; D159-R161 WeakPolarHBondContact OD1-CB 3.2Å; D159-R161 VanDerWaalsContact OD1-CG 3.28Å; D159-R161 WeakPolarHBondContact OD1-CG 3.38Å; D159-R161 IonicContact OD1-CZ 3.23Å; D159-R161 PolarHBondContact OD1-N 3.31Å; D159-R161 IonicContact OD1-NE 3.8Å; D159-R161 PolarHBondContact OD1-NE 3.16Å; D159-R161 IonicContact OD1-NH2 3.22Å; D159-R161 IonicContact OD2-CZ 3.98Å; D159-R161 IonicContact OD2-NE 3.83Å; D159-R161 PolarHBondContact OD2-NE 3.29Å; D159-R161 IonicContact OD2-NH2 3.01Å; D159-R161 PolarHBondContact OD2-NH2 2.65Å; R161-S230 CarbonylContact O-C 3.36Å; R161-S230 WeakPolarHBondContact O-CA 3.4Å; R161-S230 PolarHBondContact O-OG 3.38Å; R161-V231 PolarHBondContact O-N 3.05Å; R161-Y336 VanDerWaalsContact NH1-CD1 3.3Å; R161-Y338 PolarHBondContact NH1-OH 3.44Å
162F97.2Very high94.3Very high4 Ų433.7 Ų33.72%0.01818%0.178CC..THydrogen-bonded Turntrans-117.5-0.5-173.8-58.1-59.9000113.8S136 D159 T160 W164 R228 E254S136-F162 WeakPolarHBondContact O-CD2 3.43Å; D159-F162 HydrophobicContact CB-CD2 4.16Å; D159-F162 PolarHBondContact O-N 2.93Å; D159-F162 VanDerWaalsContact O-N 3.14Å; T160-F162 PolarHBondContact O-N 3.45Å; F162-W164 PolarHBondContact O-N 2.83Å; F162-R228 HydrophobicContact CB-CB 4.05Å; F162-R228 HydrophobicContact CB-CG 4.39Å; F162-R228 HydrophobicContact CD1-CB 3.52Å; F162-R228 HydrophobicContact CE1-CB 4.08Å; F162-R228 WeakPolarHBondContact CE1-O 3.48Å; F162-R228 HydrophobicContact CG-CB 3.79Å; F162-R228 HydrophobicContact CG-CG 4.43Å; F162-E254 HydrophobicContact CE1-CB 3.96Å; F162-E254 HydrophobicContact CE2-CB 4.36Å; F162-E254 HydrophobicContact CZ-CB 3.63Å; F162-E254 HydrophobicContact CZ-CG 4.47Å
163T96.9Very high94.5Very high1 Ų133 Ų331%0.00617%0.17CC..  trans-89.793.1177.1-56.30000110.4A158 D159 N165 K166 P198A158-T163 WeakPolarHBondContact CB-OG1 3.49Å; D159-T163 WeakPolarHBondContact O-CB 3.49Å; D159-T163 PolarHBondContact O-N 3.37Å; D159-T163 PolarHBondContact O-OG1 2.97Å; T163-N165 VanDerWaalsContact C-N 3.3Å; T163-N165 PolarHBondContact O-N 3.49Å; T163-K166 HydrophobicContact CG2-CB 3.86Å; T163-K166 HydrophobicContact CG2-CD 4.33Å; T163-K166 WeakPolarHBondContact O-CB 3.37Å; T163-K166 PolarHBondContact O-N 3.16Å; T163-K166 VanDerWaalsContact O-N 3.14Å; T163-P198 HydrophobicContact CG2-CB 3.82Å
164W95.7Very high94.6Very high62 Ų6235.6 Ų35.624%0.23519%0.188CC..THydrogen-bonded Turntrans-60.5-37.4-172.7-165.6-93.1000113.4F127 F162 I199 Q201 V231 T234F127-W164 AromaticContact CE1-CD1 3.54Å; F127-W164 HydrophobicContact CE1-CD2 4.35Å; F127-W164 AromaticContact CE1-CG 3.94Å; F127-W164 HydrophobicContact CE1-CG 3.94Å; F127-W164 AromaticContact CE1-NE1 3.68Å; F162-W164 PolarHBondContact O-N 2.83Å; W164-I199 WeakPolarHBondContact CB-O 3.46Å; W164-I199 PolarHBondContact N-O 2.84Å; W164-Q201 HydrophobicContact CB-CB 4.33Å; W164-Q201 HydrophobicContact CD2-CB 3.76Å; W164-Q201 HydrophobicContact CE3-CB 3.65Å; W164-Q201 HydrophobicContact CE3-CG 4.48Å; W164-Q201 HydrophobicContact CG-CB 4.05Å; W164-Q201 HydrophobicContact CZ3-CB 4.29Å; W164-Q201 VanDerWaalsContact CZ3-OE1 3.24Å; W164-V231 HydrophobicContact CE3-CG1 3.85Å; W164-V231 HydrophobicContact CZ3-CG1 4.42Å; W164-T234 HydrophobicContact CH2-CG2 3.67Å; W164-T234 HydrophobicContact CZ3-CG2 3.71Å
165N96.6Very high94.5Very high1 Ų136.3 Ų36.31%0.00519%0.192CC..THydrogen-bonded Turntrans-92.514.7-179.267.4-34.9000113.9W57 T163 S167 L168 L169 V197 I199W57-N165 HydrophobicContact CE3-CB 3.6Å; W57-N165 HydrophobicContact CZ3-CB 3.99Å; W57-N165 PolarHBondContact O-ND2 2.91Å; T163-N165 VanDerWaalsContact C-N 3.3Å; T163-N165 PolarHBondContact O-N 3.49Å; N165-S167 VanDerWaalsContact C-N 3.35Å; N165-S167 PolarHBondContact O-N 2.99Å; N165-L168 HydrophobicContact CB-CD1 4.43Å; N165-L168 PolarHBondContact O-N 2.62Å; N165-L168 VanDerWaalsContact O-N 3.08Å; N165-L169 WeakPolarHBondContact ND2-CD1 3.39Å; N165-L169 VanDerWaalsContact ND2-CG 3.32Å; N165-L169 WeakPolarHBondContact ND2-CG 3.17Å; N165-L169 WeakPolarHBondContact O-CG 3.37Å; N165-L169 PolarHBondContact O-N 3.38Å; N165-V197 PolarHBondContact ND2-O 3.2Å; N165-I199 HydrophobicContact CB-CB 4.45Å; N165-I199 HydrophobicContact CB-CD1 4.31Å; N165-I199 WeakPolarHBondContact ND2-CD1 3.33Å; N165-I199 PolarHBondContact OD1-N 2.71Å
166K96.1Very high94.4Very high39 Ų3935.8 Ų35.817%0.1719%0.19CC..Hα-helixtrans-56.7-45.6-173.5-173.760.1173.3176.70112.8Y155 T163 L168 L169 N170Y155-K166 HydrophobicContact CE2-CD 4.15Å; Y155-K166 VanDerWaalsContact CE2-NZ 3.26Å; T163-K166 HydrophobicContact CG2-CB 3.86Å; T163-K166 HydrophobicContact CG2-CD 4.33Å; T163-K166 WeakPolarHBondContact O-CB 3.37Å; T163-K166 PolarHBondContact O-N 3.16Å; T163-K166 VanDerWaalsContact O-N 3.14Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 3.28Å; K166-L169 PolarHBondContact O-N 2.9Å; K166-N170 WeakPolarHBondContact CD-OD1 3.2Å; K166-N170 WeakPolarHBondContact CE-OD1 3.46Å; K166-N170 WeakPolarHBondContact O-CB 3.28Å; K166-N170 PolarHBondContact O-N 2.81Å; K166-N170 PolarHBondContact O-OD1 3.47Å
167S94.5Very high94.2Very high88 Ų8834.2 Ų34.262%0.61518%0.184SC*.Hα-helixtrans-60.4-40.9178.4-170.10000112.1N165 N170 E171N165-S167 VanDerWaalsContact C-N 3.35Å; N165-S167 PolarHBondContact O-N 2.99Å; S167-N170 PolarHBondContact O-N 2.95Å; S167-E171 PolarHBondContact O-N 2.99Å
168L96.3Very high93.7Very high32 Ų3237.2 Ų37.217%0.16821%0.21CC..Hα-helixtrans-69.2-39.7179.3-56.4176.6000111.3W57 G58 L59 V60 I69 N165 K166 W172W57-L168 HydrophobicContact CB-CD1 4.47Å; W57-L168 HydrophobicContact CE3-CD1 4.26Å; G58-L168 VanDerWaalsContact CA-O 3.32Å; G58-L168 WeakPolarHBondContact CA-O 3.32Å; L59-L168 PolarHBondContact N-O 2.92Å; L59-L168 WeakPolarHBondContact O-CA 3.35Å; L59-L168 WeakPolarHBondContact O-CD2 3.45Å; V60-L168 HydrophobicContact CB-CD2 3.78Å; V60-L168 HydrophobicContact CG2-CD2 4.27Å; I69-L168 HydrophobicContact CD1-CD1 3.98Å; I69-L168 HydrophobicContact CD1-CD2 4.48Å; N165-L168 HydrophobicContact CB-CD1 4.43Å; N165-L168 PolarHBondContact O-N 2.62Å; N165-L168 VanDerWaalsContact O-N 3.08Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 3.28Å; L168-W172 PolarHBondContact O-N 3.09Å; L168-W172 VanDerWaalsContact O-N 3.13Å
169L95.8Very high92.5Very high0 Ų038.2 Ų38.20%022%0.215CC..Hα-helixtrans-69.2-35.6177-72.7-179.9000112.5W57 Y155 N165 K166 E171 W172 E173 C196 V197W57-L169 WeakPolarHBondContact O-CD2 3.37Å; W57-L169 WeakPolarHBondContact O-CG 3.2Å; Y155-L169 HydrophobicContact CD2-CB 4.23Å; Y155-L169 HydrophobicContact CD2-CD1 3.8Å; Y155-L169 HydrophobicContact CE2-CB 3.63Å; Y155-L169 HydrophobicContact CE2-CD1 4.01Å; Y155-L169 HydrophobicContact CE2-CG 4.47Å; N165-L169 WeakPolarHBondContact ND2-CD1 3.39Å; N165-L169 VanDerWaalsContact ND2-CG 3.32Å; N165-L169 WeakPolarHBondContact ND2-CG 3.17Å; N165-L169 WeakPolarHBondContact O-CG 3.37Å; N165-L169 PolarHBondContact O-N 3.38Å; K166-L169 PolarHBondContact O-N 2.9Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-W172 PolarHBondContact O-N 3.38Å; L169-E173 VanDerWaalsContact O-CB 3.29Å; L169-E173 WeakPolarHBondContact O-CB 3.45Å; L169-E173 PolarHBondContact O-N 3.32Å; L169-C196 HydrophobicContact CD2-CB 4.22Å; L169-V197 WeakPolarHBondContact CD1-O 3.25Å
170N94.8Very high90.9Very high68 Ų6838.1 Ų38.136%0.36422%0.216SC..Hα-helixtrans-61.7-44177-71-7000110.7Y155 K166 S167 E173 S174Y155-N170 PolarHBondContact OH-OD1 2.98Å; K166-N170 WeakPolarHBondContact CD-OD1 3.2Å; K166-N170 WeakPolarHBondContact CE-OD1 3.46Å; K166-N170 WeakPolarHBondContact O-CB 3.28Å; K166-N170 PolarHBondContact O-N 2.81Å; K166-N170 PolarHBondContact O-OD1 3.47Å; S167-N170 PolarHBondContact O-N 2.95Å; N170-E173 PolarHBondContact O-N 3.12Å; N170-S174 WeakPolarHBondContact O-CB 3.41Å; N170-S174 PolarHBondContact O-N 3.33Å
171E94.8Very high89Confident94 Ų9438.3 Ų38.344%0.43922%0.22SC..Hα-helixtrans-62-44.7174.5-70-62.3149.200111.4L59 S167 L169 M175L59-E171 HydrophobicContact CB-CB 4.02Å; S167-E171 PolarHBondContact O-N 2.99Å; L169-E171 VanDerWaalsContact C-N 3.33Å; E171-M175 PolarHBondContact O-N 3.12Å; E171-M175 VanDerWaalsContact O-N 3.07Å
172W95Very high86.8Confident0 Ų046.1 Ų46.10%026%0.255CS..Hα-helixtrans-61.1-47.7176.7176.2-117.6000113I17 I26 I28 L35 I56 L59 L68 L168 L169 M175 L176 Y195I17-W172 HydrophobicContact CD1-CH2 4.18Å; I26-W172 HydrophobicContact CD1-CZ2 4.06Å; I26-W172 HydrophobicContact CG2-CH2 3.83Å; I26-W172 HydrophobicContact CG2-CZ2 4.43Å; I28-W172 HydrophobicContact CD1-CH2 4.4Å; I28-W172 HydrophobicContact CD1-CZ3 4.16Å; L35-W172 HydrophobicContact CD1-CE3 4.19Å; L35-W172 HydrophobicContact CD1-CH2 3.64Å; L35-W172 HydrophobicContact CD1-CZ3 3.41Å; L35-W172 VanDerWaalsContact CD1-CZ3 3.41Å; I56-W172 HydrophobicContact CD1-CH2 4.13Å; I56-W172 HydrophobicContact CD1-CZ2 3.4Å; I56-W172 VanDerWaalsContact CD1-CZ2 3.4Å; I56-W172 HydrophobicContact CG2-CD2 4.19Å; I56-W172 HydrophobicContact CG2-CG 4.33Å; L59-W172 HydrophobicContact CD1-CB 4.49Å; L59-W172 HydrophobicContact CD1-CE3 3.87Å; L59-W172 HydrophobicContact CD2-CE3 3.89Å; L59-W172 HydrophobicContact CD2-CZ3 4.27Å; L59-W172 HydrophobicContact CG-CB 4.16Å; L59-W172 HydrophobicContact CG-CE3 3.71Å; L68-W172 HydrophobicContact CD1-CE3 4.2Å; L68-W172 HydrophobicContact CD1-CH2 4.39Å; L68-W172 HydrophobicContact CD1-CZ3 3.97Å; L168-W172 PolarHBondContact O-N 3.09Å; L168-W172 VanDerWaalsContact O-N 3.13Å; L169-W172 PolarHBondContact O-N 3.38Å; W172-M175 HydrophobicContact CZ3-CE 4.34Å; W172-M175 PolarHBondContact O-N 3.32Å; W172-L176 HydrophobicContact CD2-CD1 4.19Å; W172-L176 HydrophobicContact CD2-CG 4.35Å; W172-L176 HydrophobicContact CG-CD1 4.36Å; W172-L176 HydrophobicContact CH2-CD2 4.43Å; W172-L176 HydrophobicContact CZ2-CD1 3.99Å; W172-L176 HydrophobicContact CZ2-CD2 4.1Å; W172-L176 HydrophobicContact CZ2-CG 4.21Å; W172-L176 WeakPolarHBondContact O-CG 3.46Å; W172-L176 PolarHBondContact O-N 3.01Å; W172-Y195 PolarHBondContact NE1-O 3.38Å
173E92.9Very high84.5Confident31 Ų3155.2 Ų55.215%0.14529%0.294CS..Hα-helixtrans-66.6-40.4-179.9-178.2-89.9153.300111.9Y155 L169 N170 M175 L176 N177 R192 F193Y155-E173 HydrophobicContact CE1-CB 4.23Å; Y155-E173 HydrophobicContact CE1-CG 3.88Å; L169-E173 VanDerWaalsContact O-CB 3.29Å; L169-E173 WeakPolarHBondContact O-CB 3.45Å; L169-E173 PolarHBondContact O-N 3.32Å; N170-E173 PolarHBondContact O-N 3.12Å; E173-M175 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 2.93Å; E173-L176 PolarHBondContact O-N 3.49Å; E173-N177 WeakPolarHBondContact O-CB 3.46Å; E173-N177 PolarHBondContact O-N 2.85Å; E173-R192 HydrophobicContact CG-CG 4.42Å; E173-R192 IonicContact OE1-CZ 2.71Å; E173-R192 IonicContact OE1-NE 3.43Å; E173-R192 PolarHBondContact OE1-NE 3.34Å; E173-R192 IonicContact OE1-NH2 3.13Å; E173-R192 PolarHBondContact OE1-NH2 3.05Å; E173-F193 HydrophobicContact CG-CD1 4.1Å; E173-F193 HydrophobicContact CG-CE1 3.9Å
174S92Very high82.3Confident68 Ų6859 Ų5948%0.47631%0.312SS..Hα-helixtrans-58-46.8174.2-177.90000111N170 N177 S178N170-S174 WeakPolarHBondContact O-CB 3.41Å; N170-S174 PolarHBondContact O-N 3.33Å; S174-N177 PolarHBondContact O-N 2.79Å; S174-S178 PolarHBondContact O-N 2.99Å
175M90.1Very high80.2Confident22 Ų2260.8 Ų60.811%0.10832%0.321CS..Hα-helixtrans-63.8-46.6178.1-160.3161.383.700111.4L35 L59 F96 E171 W172 E173 N177 S178 T179L35-M175 HydrophobicContact CB-CE 3.77Å; L35-M175 HydrophobicContact CB-CG 3.89Å; L35-M175 HydrophobicContact CB-SD 4.37Å; L35-M175 HydrophobicContact CD1-CE 3.6Å; L35-M175 HydrophobicContact CD1-CG 4.43Å; L35-M175 HydrophobicContact CG-CE 4.31Å; L59-M175 HydrophobicContact CD1-CB 4.12Å; L59-M175 HydrophobicContact CD1-CE 3.33Å; L59-M175 HydrophobicContact CD1-SD 3.69Å; L59-M175 HydrophobicContact CD2-CE 4.3Å; L59-M175 HydrophobicContact CG-CE 4.42Å; F96-M175 HydrophobicContact CE2-CE 3.66Å; F96-M175 HydrophobicContact CE2-SD 4.38Å; F96-M175 HydrophobicContact CZ-CE 3.7Å; E171-M175 PolarHBondContact O-N 3.12Å; E171-M175 VanDerWaalsContact O-N 3.07Å; W172-M175 HydrophobicContact CZ3-CE 4.34Å; W172-M175 PolarHBondContact O-N 3.32Å; E173-M175 VanDerWaalsContact C-N 3.33Å; E173-M175 PolarHBondContact O-N 2.93Å; M175-N177 VanDerWaalsContact C-N 3.29Å; M175-N177 PolarHBondContact O-N 2.83Å; M175-S178 PolarHBondContact O-N 2.93Å; M175-S178 PolarHBondContact O-OG 2.94Å; M175-T179 PolarHBondContact O-N 2.86Å; M175-T179 PolarHBondContact O-OG1 3.14Å; M175-T179 VanDerWaalsContact O-OG1 3.04Å
176L89.8Confident77.9Confident0 Ų069.2 Ų69.20%036%0.361CS..Hα-helixtrans-57.9-39.3174.6-74173.5000113.1I26 L35 V37 W172 E173 S180 R192I26-L176 HydrophobicContact CD1-CD2 3.87Å; I26-L176 HydrophobicContact CG1-CD2 4.14Å; I26-L176 HydrophobicContact CG2-CD2 4.39Å; L35-L176 HydrophobicContact CD1-CD2 3.87Å; L35-L176 HydrophobicContact CD1-CG 4.41Å; L35-L176 HydrophobicContact CD2-CD2 3.72Å; L35-L176 HydrophobicContact CG-CD2 4.49Å; V37-L176 HydrophobicContact CG2-CD2 4.36Å; W172-L176 HydrophobicContact CD2-CD1 4.19Å; W172-L176 HydrophobicContact CD2-CG 4.35Å; W172-L176 HydrophobicContact CG-CD1 4.36Å; W172-L176 HydrophobicContact CH2-CD2 4.43Å; W172-L176 HydrophobicContact CZ2-CD1 3.99Å; W172-L176 HydrophobicContact CZ2-CD2 4.1Å; W172-L176 HydrophobicContact CZ2-CG 4.21Å; W172-L176 WeakPolarHBondContact O-CG 3.46Å; W172-L176 PolarHBondContact O-N 3.01Å; E173-L176 PolarHBondContact O-N 3.49Å; L176-S180 PolarHBondContact O-N 2.84Å; L176-R192 HydrophobicContact CB-CB 4.08Å; L176-R192 HydrophobicContact CD1-CB 4.27Å
177N86.5Confident75.9Confident59 Ų5970.4 Ų70.432%0.31637%0.371SS..Hα-helixtrans-68.1-41.6179.3-175.141.5000111.7E173 S174 M175 T179 S180 K185E173-N177 WeakPolarHBondContact O-CB 3.46Å; E173-N177 PolarHBondContact O-N 2.85Å; S174-N177 PolarHBondContact O-N 2.79Å; M175-N177 VanDerWaalsContact C-N 3.29Å; M175-N177 PolarHBondContact O-N 2.83Å; N177-T179 VanDerWaalsContact C-N 3.27Å; N177-T179 PolarHBondContact O-N 3.28Å; N177-S180 PolarHBondContact O-N 2.97Å; N177-S180 PolarHBondContact O-OG 3.29Å; N177-K185 PolarHBondContact OD1-NZ 3.38Å
178S82.1Confident74Confident94 Ų9471.7 Ų71.766%0.65739%0.387SS*.Hα-helixtrans-62.6-33.6-18073.90000113.2S174 M175S174-S178 PolarHBondContact O-N 2.99Å; M175-S178 PolarHBondContact O-N 2.93Å; M175-S178 PolarHBondContact O-OG 2.94Å
179T70.5Confident72.7Confident30 Ų3073 Ų7318%0.18441%0.409CS..Hα-helixtrans-77.8-30.1-176.5-62.40000114.1L35 V37 M175 N177 S181L35-T179 HydrophobicContact CD2-CG2 3.85Å; L35-T179 WeakPolarHBondContact O-CB 3.38Å; L35-T179 WeakPolarHBondContact O-CG2 3.35Å; L35-T179 PolarHBondContact O-OG1 3.15Å; V37-T179 HydrophobicContact CB-CG2 4.4Å; V37-T179 HydrophobicContact CG2-CG2 3.98Å; M175-T179 PolarHBondContact O-N 2.86Å; M175-T179 PolarHBondContact O-OG1 3.14Å; M175-T179 VanDerWaalsContact O-OG1 3.04Å; N177-T179 VanDerWaalsContact C-N 3.27Å; N177-T179 PolarHBondContact O-N 3.28Å; T179-S181 VanDerWaalsContact C-N 3.33Å; T179-S181 PolarHBondContact O-N 3.48Å
180S60Low72Confident12 Ų1274.7 Ų74.78%0.08442%0.415CS..SBendtrans-69.489.7-175.4580000110.9L176 N177 F182 K185 W190L176-S180 PolarHBondContact O-N 2.84Å; N177-S180 PolarHBondContact O-N 2.97Å; N177-S180 PolarHBondContact O-OG 3.29Å; S180-F182 PolarHBondContact O-N 3.39Å; S180-K185 WeakPolarHBondContact O-CE 3.39Å; S180-K185 WeakPolarHBondContact OG-CE 3.38Å; S180-W190 VanDerWaalsContact CB-CH2 3.42Å
181S55.9Low71.6Confident81 Ų8174 Ų7457%0.56641%0.412SS*.  trans-49.5135.4174.2-143.10000109T179 K183 H184T179-S181 VanDerWaalsContact C-N 3.33Å; T179-S181 PolarHBondContact O-N 3.48Å; S181-K183 PolarHBondContact O-N 3.26Å; S181-H184 PolarHBondContact O-N 2.84Å
182F48.8Very low71.3Confident183 Ų18372.2 Ų72.280%0.80340%0.401SS*.THydrogen-bonded Turntrans-52.1-26.9-169.2-144.3-91000113.5S180S180-F182 PolarHBondContact O-N 3.39Å
183K49.6Very low71.1Confident194 Ų19473.1 Ų73.184%0.84341%0.405SS*.THydrogen-bonded Turntrans-66.8-28.2175.2-75.5-174.7175.2-179.10114.8S181S181-K183 PolarHBondContact O-N 3.26Å
184H51.4Low71Confident82 Ų8273.1 Ų73.138%0.3841%0.406SS..THydrogen-bonded Turntrans-93.3-10.5-177.8-75.2-67.3000114.1F39 S181 Q186 T187F39-H184 AromaticContact CD2-CE1 4Å; F39-H184 AromaticContact CD2-ND1 3.51Å; F39-H184 HydrophobicContact CE2-CB 3.84Å; F39-H184 AromaticContact CE2-CG 3.82Å; F39-H184 AromaticContact CE2-ND1 3.6Å; S181-H184 PolarHBondContact O-N 2.84Å; H184-Q186 PolarHBondContact O-N 2.84Å; H184-Q186 VanDerWaalsContact O-N 3.1Å; H184-T187 PolarHBondContact O-N 3.31Å; H184-T187 PolarHBondContact O-OG1 3.14Å
185K51.8Low71.1Confident98 Ų9869.9 Ų69.943%0.42638%0.383SS..THydrogen-bonded Turntrans-63.6-15.6174.6-71.1-174.1175.7-1750113.1N177 S180N177-K185 PolarHBondContact OD1-NZ 3.38Å; S180-K185 WeakPolarHBondContact O-CE 3.39Å; S180-K185 WeakPolarHBondContact OG-CE 3.38Å
186Q47.6Very low71.3Confident178 Ų17868.9 Ų68.983%0.83238%0.378SS*.THydrogen-bonded Turntrans-99-4.3178.5-78.8-17419.200115.2H184 A188H184-Q186 PolarHBondContact O-N 2.84Å; H184-Q186 VanDerWaalsContact O-N 3.1Å; Q186-A188 PolarHBondContact O-N 3.34Å
187T53.9Low71.6Confident64 Ų6468.9 Ų68.939%0.39338%0.379SS..SBendtrans-66.1111.916929.90000108.3H184 G189 W190H184-T187 PolarHBondContact O-N 3.31Å; H184-T187 PolarHBondContact O-OG1 3.14Å; T187-G189 PolarHBondContact O-N 2.81Å; T187-W190 PolarHBondContact O-N 3.28Å
188A55.2Low72.1Confident115 Ų11566.6 Ų66.695%0.9537%0.367SS*.THydrogen-bonded Turntrans-63.524.2-159.800000117.5Q186Q186-A188 PolarHBondContact O-N 3.34Å
189G68.2Low72.9Confident61 Ų6162.1 Ų62.163%0.62934%0.335SS*.THydrogen-bonded Turntrans-152.84.5177.900000115.6T187T187-G189 PolarHBondContact O-N 2.81Å
190W80.6Confident74.1Confident34 Ų3460.8 Ų60.813%0.12933%0.327CS..  trans-90.5121.9173.1-178.180000111.1V37 F39 S180 T187 R192V37-W190 HydrophobicContact CG2-CZ2 4.48Å; F39-W190 HydrophobicContact CE1-CB 3.81Å; F39-W190 HydrophobicContact CE1-CG 4.18Å; F39-W190 HydrophobicContact CZ-CB 3.72Å; F39-W190 AromaticContact CZ-CG 3.84Å; F39-W190 HydrophobicContact CZ-CG 3.84Å; S180-W190 VanDerWaalsContact CB-CH2 3.42Å; T187-W190 PolarHBondContact O-N 3.28Å; W190-R192 HydrophobicContact CH2-CB 3.68Å; W190-R192 HydrophobicContact CH2-CG 4.45Å; W190-R192 HydrophobicContact CZ2-CB 3.67Å; W190-R192 HydrophobicContact CZ3-CB 4.41Å
191N86.5Confident75.9Confident53 Ų5360.5 Ų60.528%0.28333%0.325SS..  trans-132116.9168.8-176.6-1.1000109.4F193 D194N191-F193 PolarHBondContact O-N 2.86Å; N191-F193 VanDerWaalsContact O-N 3.12Å; N191-F193 WeakPolarHBondContact OD1-CB 3.49Å; N191-F193 WeakPolarHBondContact OD1-CD2 3.39Å; N191-F193 WeakPolarHBondContact OD1-CG 3.31Å; N191-F193 PolarHBondContact OD1-N 3.47Å; N191-F193 VanDerWaalsContact OD1-N 3.09Å; N191-D194 WeakPolarHBondContact O-CB 3.39Å; N191-D194 PolarHBondContact O-N 2.91Å
192R88.4Confident77.7Confident57 Ų5756.7 Ų56.722%0.21530%0.298CS..G310 helixtrans-56-29.1178.567.1-166.4-168.7-77.80.5113.4E173 L176 W190 D194 Y195E173-R192 HydrophobicContact CG-CG 4.42Å; E173-R192 IonicContact OE1-CZ 2.71Å; E173-R192 IonicContact OE1-NE 3.43Å; E173-R192 PolarHBondContact OE1-NE 3.34Å; E173-R192 IonicContact OE1-NH2 3.13Å; E173-R192 PolarHBondContact OE1-NH2 3.05Å; L176-R192 HydrophobicContact CB-CB 4.08Å; L176-R192 HydrophobicContact CD1-CB 4.27Å; W190-R192 HydrophobicContact CH2-CB 3.68Å; W190-R192 HydrophobicContact CH2-CG 4.45Å; W190-R192 HydrophobicContact CZ2-CB 3.67Å; W190-R192 HydrophobicContact CZ3-CB 4.41Å; R192-D194 PolarHBondContact O-N 2.81Å; R192-Y195 PolarHBondContact O-N 3.04Å
193F91.2Very high80Confident19 Ų1948.6 Ų48.68%0.08326%0.262CS..G310 helixtrans-69.7-20.8179.9-53.7-51000113.1S153 Y155 E156 E173 N191 Y195 C196S153-F193 VanDerWaalsContact OG-CB 3.25Å; S153-F193 WeakPolarHBondContact OG-CB 3.4Å; Y155-F193 AromaticContact CD1-CD1 3.45Å; Y155-F193 HydrophobicContact CD1-CD1 3.45Å; Y155-F193 VanDerWaalsContact CD1-CD1 3.45Å; Y155-F193 AromaticContact CD1-CE1 3.94Å; Y155-F193 HydrophobicContact CD1-CE1 3.94Å; Y155-F193 HydrophobicContact CD1-CG 4.29Å; Y155-F193 AromaticContact CE1-CD1 3.83Å; Y155-F193 HydrophobicContact CE1-CD1 3.83Å; Y155-F193 AromaticContact CE1-CE1 3.92Å; Y155-F193 HydrophobicContact CE1-CE1 3.92Å; E156-F193 VanDerWaalsContact CD-CD2 3.47Å; E156-F193 HydrophobicContact CG-CD1 4.18Å; E156-F193 HydrophobicContact CG-CD2 3.99Å; E156-F193 HydrophobicContact CG-CE1 3.97Å; E156-F193 HydrophobicContact CG-CE2 3.81Å; E156-F193 HydrophobicContact CG-CG 4.16Å; E156-F193 HydrophobicContact CG-CZ 3.75Å; E156-F193 WeakPolarHBondContact OE1-CE2 3.5Å; E156-F193 WeakPolarHBondContact OE1-CZ 3.31Å; E156-F193 WeakPolarHBondContact OE2-CD2 3.4Å; E173-F193 HydrophobicContact CG-CD1 4.1Å; E173-F193 HydrophobicContact CG-CE1 3.9Å; N191-F193 PolarHBondContact O-N 2.86Å; N191-F193 VanDerWaalsContact O-N 3.12Å; N191-F193 WeakPolarHBondContact OD1-CB 3.49Å; N191-F193 WeakPolarHBondContact OD1-CD2 3.39Å; N191-F193 WeakPolarHBondContact OD1-CG 3.31Å; N191-F193 PolarHBondContact OD1-N 3.47Å; N191-F193 VanDerWaalsContact OD1-N 3.09Å; F193-Y195 PolarHBondContact O-N 3.03Å; F193-Y195 VanDerWaalsContact O-N 3.13Å; F193-C196 PolarHBondContact O-N 3.4Å
194D91.1Very high82.4Confident31 Ų3139.5 Ų39.517%0.16622%0.223CC..G310 helixtrans-70.2-7176.5-60.9-14.6000112.3M1 V2 Y3 N191 R192M1-D194 VanDerWaalsContact O-OD1 3.11Å; V2-D194 WeakPolarHBondContact CA-O 3.46Å; V2-D194 WeakPolarHBondContact CG1-O 3.42Å; Y3-D194 HydrophobicContact CD2-CB 3.94Å; Y3-D194 VanDerWaalsContact CD2-O 3.31Å; Y3-D194 WeakPolarHBondContact CD2-O 3.33Å; Y3-D194 HydrophobicContact CE2-CB 3.79Å; Y3-D194 PolarHBondContact N-O 2.91Å; N191-D194 WeakPolarHBondContact O-CB 3.39Å; N191-D194 PolarHBondContact O-N 2.91Å; R192-D194 PolarHBondContact O-N 2.81Å
195Y93.9Very high84.6Confident1 Ų135.8 Ų35.80%0.00421%0.206CC..G310 helixtrans-104.85.3174.4-64.6-96.5000112.9Y3 Y6 A19 S22 I26 W172 R192 F193Y3-Y195 HydrophobicContact CD2-CD1 4.47Å; Y3-Y195 HydrophobicContact CD2-CD2 4.39Å; Y3-Y195 HydrophobicContact CD2-CE1 4.16Å; Y3-Y195 HydrophobicContact CD2-CE2 4.08Å; Y3-Y195 AromaticContact CD2-CZ 3.94Å; Y3-Y195 HydrophobicContact CE2-CD2 4.34Å; Y3-Y195 HydrophobicContact CE2-CE1 4.34Å; Y3-Y195 AromaticContact CE2-CE2 3.67Å; Y3-Y195 HydrophobicContact CE2-CE2 3.67Å; Y3-Y195 AromaticContact CE2-CZ 3.66Å; Y6-Y195 HydrophobicContact CD1-CD1 4.33Å; Y6-Y195 HydrophobicContact CD1-CE1 4.33Å; Y6-Y195 AromaticContact CE1-CD1 3.6Å; Y6-Y195 HydrophobicContact CE1-CD1 3.6Å; Y6-Y195 AromaticContact CE1-CE1 3.91Å; Y6-Y195 HydrophobicContact CE1-CE1 3.91Å; A19-Y195 HydrophobicContact CB-CE1 3.82Å; S22-Y195 PolarHBondContact OG-OH 3.45Å; I26-Y195 HydrophobicContact CD1-CD1 3.36Å; I26-Y195 HydrophobicContact CD1-CD2 4.43Å; I26-Y195 HydrophobicContact CD1-CE1 3.43Å; I26-Y195 VanDerWaalsContact CD1-CE1 3.43Å; I26-Y195 HydrophobicContact CD1-CE2 4.48Å; I26-Y195 HydrophobicContact CD1-CG 3.91Å; I26-Y195 HydrophobicContact CG1-CE1 4.45Å; W172-Y195 PolarHBondContact NE1-O 3.38Å; R192-Y195 PolarHBondContact O-N 3.04Å; F193-Y195 PolarHBondContact O-N 3.03Å; F193-Y195 VanDerWaalsContact O-N 3.13Å
196C95.1Very high86.8Confident0 Ų032.5 Ų32.50%019%0.193CC..  trans-114.7103.5-176.3-61.80000109.3V2 Y155 L169 F193 P198V2-C196 WeakPolarHBondContact CG2-O 3.4Å; Y155-C196 HydrophobicContact CD1-CB 4.14Å; Y155-C196 HydrophobicContact CD2-CB 3.65Å; Y155-C196 HydrophobicContact CE2-CB 4.31Å; Y155-C196 HydrophobicContact CG-CB 3.52Å; L169-C196 HydrophobicContact CD2-CB 4.22Å; F193-C196 PolarHBondContact O-N 3.4Å; C196-P198 WeakPolarHBondContact O-CD 3.48Å
197V95.5Very high89Confident1 Ų124.4 Ų24.41%0.00616%0.155CC..  trans-102.7113.2-178.967.20000111.3V2 I71 Y129 N165 L169 I199V2-V197 HydrophobicContact CG1-CB 3.74Å; V2-V197 HydrophobicContact CG1-CG2 4.18Å; I71-V197 HydrophobicContact CD1-CG1 4.42Å; Y129-V197 HydrophobicContact CD2-CG2 3.42Å; Y129-V197 VanDerWaalsContact CD2-CG2 3.42Å; Y129-V197 HydrophobicContact CE2-CG2 4.12Å; Y129-V197 HydrophobicContact CG-CG2 4.05Å; N165-V197 PolarHBondContact ND2-O 3.2Å; L169-V197 WeakPolarHBondContact CD1-O 3.25Å; V197-I199 PolarHBondContact O-N 2.92Å
198P97Very high90.9Very high10 Ų1025.2 Ų25.27%0.06516%0.163CC..  trans-65131.5172.8-27.540.2000111.6I154 A158 T163 C196I154-P198 HydrophobicContact CG2-CG 3.95Å; A158-P198 HydrophobicContact CB-CB 3.97Å; A158-P198 HydrophobicContact CB-CG 3.73Å; T163-P198 HydrophobicContact CG2-CB 3.82Å; C196-P198 WeakPolarHBondContact O-CD 3.48Å
199I97.8Very high92.5Very high0 Ų020 Ų200%012%0.119CC..  trans-115.2129.2179.3-61167.6000108.1W57 I71 I88 F127 W164 N165 V197W57-I199 HydrophobicContact CD2-CD1 3.45Å; W57-I199 VanDerWaalsContact CD2-CD1 3.45Å; W57-I199 HydrophobicContact CE3-CD1 3.63Å; W57-I199 HydrophobicContact CG-CD1 3.93Å; W57-I199 HydrophobicContact CH2-CD1 4.15Å; W57-I199 HydrophobicContact CH2-CG2 3.96Å; W57-I199 HydrophobicContact CZ2-CD1 4.02Å; W57-I199 HydrophobicContact CZ2-CG2 4.39Å; W57-I199 HydrophobicContact CZ3-CD1 3.96Å; W57-I199 HydrophobicContact CZ3-CG2 4.25Å; I71-I199 HydrophobicContact CD1-CD1 4.11Å; I88-I199 HydrophobicContact CD1-CD1 3.7Å; I88-I199 HydrophobicContact CD1-CG1 4.11Å; I88-I199 HydrophobicContact CD1-CG2 3.96Å; F127-I199 HydrophobicContact CB-CG2 3.83Å; F127-I199 HydrophobicContact CD1-CG2 4.12Å; F127-I199 HydrophobicContact CG-CG2 4.36Å; W164-I199 WeakPolarHBondContact CB-O 3.46Å; W164-I199 PolarHBondContact N-O 2.84Å; N165-I199 HydrophobicContact CB-CB 4.45Å; N165-I199 HydrophobicContact CB-CD1 4.31Å; N165-I199 WeakPolarHBondContact ND2-CD1 3.33Å; N165-I199 PolarHBondContact OD1-N 2.71Å; V197-I199 PolarHBondContact O-N 2.92Å
200I97.7Very high93.2Very high2 Ų219.3 Ų19.31%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-94.4147.8170.866.6161.4000109.9F127 Y128 L135 V204 I226 R228F127-I200 WeakPolarHBondContact CA-O 3.22Å; Y128-I200 PolarHBondContact N-O 3.2Å; Y128-I200 WeakPolarHBondContact O-CG1 3.38Å; Y128-I200 PolarHBondContact O-N 3.23Å; L135-I200 HydrophobicContact CB-CD1 4.03Å; L135-I200 HydrophobicContact CB-CG1 4.28Å; L135-I200 HydrophobicContact CB-CG2 3.98Å; L135-I200 HydrophobicContact CD1-CD1 4.23Å; L135-I200 HydrophobicContact CD1-CG1 4.25Å; I200-V204 HydrophobicContact CD1-CG2 4.15Å; I200-I226 HydrophobicContact CD1-CG2 3.95Å; I200-R228 HydrophobicContact CB-CG 4.46Å; I200-R228 HydrophobicContact CD1-CG 3.91Å; I200-R228 HydrophobicContact CG2-CG 4.32Å
201Q96.1Very high92.9Very high7 Ų721.6 Ų21.63%0.03312%0.116CC..EExtended strand (participates in β ladder)trans-102.6135.9164.2-170.4-178.265.100109.3G126 F127 W164 R229 Q500G126-Q201 CarbonylContact O-C 3.53Å; G126-Q201 WeakPolarHBondContact O-CA 3.35Å; F127-Q201 HydrophobicContact CD1-CB 3.9Å; F127-Q201 HydrophobicContact CD1-CG 4.01Å; F127-Q201 HydrophobicContact CE1-CB 3.77Å; F127-Q201 HydrophobicContact CE1-CG 3.67Å; F127-Q201 HydrophobicContact CZ-CG 4.41Å; W164-Q201 HydrophobicContact CB-CB 4.33Å; W164-Q201 HydrophobicContact CD2-CB 3.76Å; W164-Q201 HydrophobicContact CE3-CB 3.65Å; W164-Q201 HydrophobicContact CE3-CG 4.48Å; W164-Q201 HydrophobicContact CG-CB 4.05Å; W164-Q201 HydrophobicContact CZ3-CB 4.29Å; W164-Q201 VanDerWaalsContact CZ3-OE1 3.24Å; Q201-R229 WeakPolarHBondContact O-CB 3.45Å; Q201-R229 PolarHBondContact O-N 3.15Å; Q201-Q500 HydrophobicContact CG-CG 4.26Å
202G95.2Very high92.3Very high0 Ų024 Ų240%014%0.137CC..EExtended strand (participates in β ladder)trans152-118.7176.900000111.1G126 S227 Q500G126-G202 WeakPolarHBondContact CA-O 3.48Å; G126-G202 PolarHBondContact O-N 3.49Å; G202-S227 VanDerWaalsContact CA-O 3.3Å; G202-S227 WeakPolarHBondContact CA-O 3.05Å; G202-Q500 PolarHBondContact O-NE2 3.38Å
203Y97.2Very high91.8Very high14 Ų1425.8 Ų25.86%0.05515%0.151CC..EExtended strand (participates in β ladder)trans-150.3140.4-179.2177.5-106.9000111.5Y128 L225 S227 I489 N492 N493 Y496Y128-Y203 WeakPolarHBondContact OH-CD2 3.46Å; Y203-L225 HydrophobicContact CD1-CD2 4.48Å; Y203-L225 HydrophobicContact CE1-CD2 4.44Å; Y203-S227 PolarHBondContact N-O 3.01Å; Y203-S227 PolarHBondContact O-N 2.73Å; Y203-I489 HydrophobicContact CE1-CG2 3.93Å; Y203-I489 WeakPolarHBondContact CE1-O 3.41Å; Y203-N492 HydrophobicContact CE1-CB 4.42Å; Y203-N492 HydrophobicContact CE2-CB 3.67Å; Y203-N492 WeakPolarHBondContact OH-CB 3.35Å; Y203-N493 HydrophobicContact CD1-CB 3.57Å; Y203-N493 HydrophobicContact CE1-CB 3.96Å; Y203-N493 HydrophobicContact CG-CB 4.23Å; Y203-Y496 HydrophobicContact CD2-CD1 4.36Å; Y203-Y496 AromaticContact CD2-CD2 3.53Å; Y203-Y496 HydrophobicContact CD2-CD2 3.53Å; Y203-Y496 AromaticContact CD2-CE2 3.88Å; Y203-Y496 HydrophobicContact CD2-CE2 3.88Å; Y203-Y496 AromaticContact CD2-CG 3.78Å; Y203-Y496 HydrophobicContact CD2-CG 3.78Å; Y203-Y496 AromaticContact CE2-CD2 3.94Å; Y203-Y496 HydrophobicContact CE2-CD2 3.94Å; Y203-Y496 AromaticContact CE2-CE2 3.93Å; Y203-Y496 HydrophobicContact CE2-CE2 3.93Å
204V98.4Very high90.8Very high3 Ų325.3 Ų25.32%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-128.6122.9165.9-175.60000108.7V77 I80 I85 Y128 I200 I206 L225 I226V77-V204 HydrophobicContact CG1-CG1 4.35Å; I80-V204 HydrophobicContact CD1-CG1 4.47Å; I85-V204 HydrophobicContact CG2-CB 4.46Å; I85-V204 HydrophobicContact CG2-CG1 4.08Å; I85-V204 HydrophobicContact CG2-CG2 4.47Å; Y128-V204 HydrophobicContact CD1-CB 3.71Å; Y128-V204 HydrophobicContact CD1-CG2 3.82Å; Y128-V204 HydrophobicContact CD2-CG2 4.08Å; Y128-V204 HydrophobicContact CE1-CB 3.84Å; Y128-V204 HydrophobicContact CE1-CG2 4.35Å; Y128-V204 HydrophobicContact CG-CB 4.07Å; Y128-V204 HydrophobicContact CG-CG2 3.66Å; Y128-V204 VanDerWaalsContact CZ-N 3.35Å; I200-V204 HydrophobicContact CD1-CG2 4.15Å; V204-I206 HydrophobicContact CG1-CD1 4.33Å; V204-I206 HydrophobicContact CG1-CG1 4.2Å; V204-L225 WeakPolarHBondContact CA-O 3.18Å; V204-I226 HydrophobicContact CG1-CG1 4.38Å; V204-I226 HydrophobicContact CG2-CG2 4.25Å
205G97.7Very high89.7Confident3 Ų332.2 Ų32.23%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-125.1136.9173.100000110.3S224 L225G205-S224 CarbonylContact O-C 3.53Å; G205-S224 WeakPolarHBondContact O-CA 3.16Å; G205-L225 PolarHBondContact N-O 2.91Å; G205-L225 PolarHBondContact O-N 3.06Å
206I97.7Very high88.5Confident29 Ų2937.9 Ų37.915%0.14922%0.216CC..EExtended strand (participates in β ladder)trans-131133.8-178.5-56.7171.9000108.7V77 I80 I85 V204 V222 Y223V77-I206 HydrophobicContact CG1-CD1 4.15Å; V77-I206 HydrophobicContact CG1-CG1 4.26Å; I80-I206 HydrophobicContact CD1-CD1 4.07Å; I80-I206 HydrophobicContact CD1-CG1 4.43Å; I80-I206 HydrophobicContact CG1-CD1 3.64Å; I80-I206 HydrophobicContact CG1-CG1 4.25Å; I85-I206 HydrophobicContact CB-CD1 4.37Å; I85-I206 HydrophobicContact CG1-CD1 4.14Å; V204-I206 HydrophobicContact CG1-CD1 4.33Å; V204-I206 HydrophobicContact CG1-CG1 4.2Å; I206-V222 HydrophobicContact CG2-CG1 3.96Å; I206-Y223 CarbonylContact C-O 3.55Å; I206-Y223 WeakPolarHBondContact CA-O 3.44Å
207I95.5Very high87.1Confident9 Ų938.4 Ų38.45%0.04622%0.218CC..EExtended strand (participates in β ladder)trans-117.8118.2171.5-48172.3000106.8V222 Y223 F482 R485 I489I207-V222 WeakPolarHBondContact O-CA 3.2Å; I207-Y223 HydrophobicContact CD1-CD1 3.92Å; I207-Y223 HydrophobicContact CD1-CG 4.5Å; I207-Y223 HydrophobicContact CG1-CD1 4.21Å; I207-Y223 PolarHBondContact N-O 3.28Å; I207-Y223 PolarHBondContact O-N 2.88Å; I207-F482 HydrophobicContact CB-CE2 4.38Å; I207-F482 HydrophobicContact CD1-CD2 4.48Å; I207-F482 HydrophobicContact CD1-CE2 4Å; I207-F482 HydrophobicContact CG2-CD2 4.19Å; I207-F482 HydrophobicContact CG2-CE2 4.21Å; I207-R485 HydrophobicContact CD1-CB 3.73Å; I207-R485 HydrophobicContact CG1-CB 4.35Å; I207-R485 HydrophobicContact CG2-CB 4.34Å; I207-I489 HydrophobicContact CD1-CD1 3.66Å; I207-I489 HydrophobicContact CD1-CG1 4.21Å; I207-I489 HydrophobicContact CG1-CD1 3.2Å; I207-I489 HydrophobicContact CG1-CG1 4.12Å
208S92.3Very high85.7Confident80 Ų8046.6 Ų46.656%0.55925%0.254SS*.EExtended strand (participates in β ladder)trans-97.5113.1165-55.90000108
209Y89.3Confident84.5Confident5 Ų547.3 Ų47.32%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-101.1110.2174-167.8-78.5000108.4L213 L221 W479 P480 F482Y209-L213 HydrophobicContact CD1-CB 4.33Å; Y209-L213 HydrophobicContact CE1-CB 3.45Å; Y209-L213 VanDerWaalsContact CE1-CB 3.45Å; Y209-L213 WeakPolarHBondContact OH-CB 3.34Å; Y209-L213 PolarHBondContact OH-O 3.07Å; Y209-L221 PolarHBondContact N-O 3.49Å; Y209-L221 PolarHBondContact O-N 3.43Å; Y209-W479 HydrophobicContact CD2-CB 4.45Å; Y209-W479 HydrophobicContact CE1-CB 4.42Å; Y209-W479 HydrophobicContact CE1-CG 4.42Å; Y209-W479 HydrophobicContact CE2-CB 3.93Å; Y209-P480 WeakPolarHBondContact OH-CD 3.48Å; Y209-F482 HydrophobicContact CD2-CB 3.99Å; Y209-F482 HydrophobicContact CD2-CD2 4.19Å; Y209-F482 HydrophobicContact CE2-CB 4.05Å
210P82.3Confident83.8Confident48 Ų4851.8 Ų51.831%0.31229%0.287SS..  trans-69.8145.6-176.328.5-34.5000111.6S212 L213 N220P210-S212 PolarHBondContact O-N 2.79Å; P210-L213 HydrophobicContact CG-CD1 3.66Å; P210-L213 HydrophobicContact CG-CG 3.88Å; P210-L213 PolarHBondContact O-N 3.46Å; P210-L213 VanDerWaalsContact O-N 3.12Å; P210-N220 WeakPolarHBondContact CA-OD1 3.4Å
211E76Confident83.6Confident81 Ų8151.7 Ų51.738%0.37929%0.287SS..G310 helixtrans-53.7-35.9176.1-175.7177.2169.400112.3L213 S214 L217 K218 G219 N220E211-L213 PolarHBondContact O-N 3.2Å; E211-S214 CarbonylContact O-C 3.54Å; E211-S214 PolarHBondContact O-N 3.24Å; E211-S214 VanDerWaalsContact O-O 3.08Å; E211-L217 VanDerWaalsContact CG-O 3.27Å; E211-L217 WeakPolarHBondContact CG-O 3.5Å; E211-K218 WeakPolarHBondContact OE1-CA 3.16Å; E211-G219 WeakPolarHBondContact OE2-CA 3.24Å; E211-G219 PolarHBondContact OE2-N 2.9Å; E211-N220 PolarHBondContact N-OD1 3.19Å
212S73.8Confident83.5Confident105 Ų10552.9 Ų52.973%0.73429%0.294SS*.G310 helixtrans-60.3-12.2-179.961.40000115P210P210-S212 PolarHBondContact O-N 2.79Å
213L77.1Confident83.6Confident94 Ų9452.9 Ų52.949%0.49229%0.294SS..G310 helixtrans-101.612.3175.6-62.9178.1000112.6Y209 P210 E211Y209-L213 HydrophobicContact CD1-CB 4.33Å; Y209-L213 HydrophobicContact CE1-CB 3.45Å; Y209-L213 VanDerWaalsContact CE1-CB 3.45Å; Y209-L213 WeakPolarHBondContact OH-CB 3.34Å; Y209-L213 PolarHBondContact OH-O 3.07Å; P210-L213 HydrophobicContact CG-CD1 3.66Å; P210-L213 HydrophobicContact CG-CG 3.88Å; P210-L213 PolarHBondContact O-N 3.46Å; P210-L213 VanDerWaalsContact O-N 3.12Å; E211-L213 PolarHBondContact O-N 3.2Å
214S70.6Confident83.7Confident9 Ų952.3 Ų52.36%0.06329%0.292CS..  trans-144.5108.6179.4169.40000111E211 I216 L217E211-S214 CarbonylContact O-C 3.54Å; E211-S214 PolarHBondContact O-N 3.24Å; E211-S214 VanDerWaalsContact O-O 3.08Å; S214-I216 PolarHBondContact O-N 2.95Å; S214-L217 PolarHBondContact O-N 3.21Å; S214-L217 WeakPolarHBondContact OG-CD1 3.25Å; S214-L217 VanDerWaalsContact OG-CG 3.3Å; S214-L217 WeakPolarHBondContact OG-CG 3.19Å; S214-L217 PolarHBondContact OG-N 3.24Å
215D66.7Low83.7Confident175 Ų17552.1 Ų52.194%0.93629%0.291SS*.THydrogen-bonded Turntrans-66.4-11.7-178.6-60.8-35.8000114.4
216I69.1Low83.7Confident121 Ų12152 Ų5262%0.62129%0.29SS*.THydrogen-bonded Turntrans-103.8-22.4-171.2-67.7162.5000112.5S214 L478S214-I216 PolarHBondContact O-N 2.95Å; I216-L478 HydrophobicContact CB-CD1 4.32Å; I216-L478 HydrophobicContact CD1-CD1 3.44Å; I216-L478 VanDerWaalsContact CD1-CD1 3.44Å; I216-L478 HydrophobicContact CG1-CD1 4.43Å
217L65.9Low83.7Confident11 Ų1150.6 Ų50.66%0.05828%0.283CS..  trans-98.9147.6-167.5-70.4176.6000112.5E211 S214 I261 I458 W479E211-L217 VanDerWaalsContact CG-O 3.27Å; E211-L217 WeakPolarHBondContact CG-O 3.5Å; S214-L217 PolarHBondContact O-N 3.21Å; S214-L217 WeakPolarHBondContact OG-CD1 3.25Å; S214-L217 VanDerWaalsContact OG-CG 3.3Å; S214-L217 WeakPolarHBondContact OG-CG 3.19Å; S214-L217 PolarHBondContact OG-N 3.24Å; L217-I261 HydrophobicContact CD1-CD1 3.78Å; L217-I261 HydrophobicContact CD2-CD1 4.03Å; L217-I458 HydrophobicContact CD2-CD1 3.41Å; L217-I458 VanDerWaalsContact CD2-CD1 3.41Å; L217-I458 HydrophobicContact CD2-CG1 3.71Å; L217-I458 HydrophobicContact CD2-CG2 4.03Å; L217-W479 HydrophobicContact CD1-CZ2 3.82Å
218K66.4Low83.8Confident172 Ų17250.2 Ų50.275%0.74828%0.28SS*.SBendtrans-104.5121.2161.5-70-174.6177.9-178.80108.9E211 S262E211-K218 WeakPolarHBondContact OE1-CA 3.16Å; K218-S262 WeakPolarHBondContact O-CB 3.47Å; K218-S262 PolarHBondContact O-OG 2.67Å
219G71.5Confident83.9Confident25 Ų2546.9 Ų46.926%0.25826%0.256SS..SBendtrans94.5158.4-178.500000114.6E211E211-G219 WeakPolarHBondContact OE2-CA 3.24Å; E211-G219 PolarHBondContact OE2-N 2.9Å
220N84.5Confident84.2Confident94 Ų9447.1 Ų47.150%0.50326%0.258SS..  trans-76136.2176.5-61.4-32.9000110.3P210 E211P210-N220 WeakPolarHBondContact CA-OD1 3.4Å; E211-N220 PolarHBondContact N-OD1 3.19Å
221L91.7Very high84.8Confident1 Ų146.8 Ų46.81%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-81.1124167.3161.272.4000108.7Y209 V259 I261 W479 F482Y209-L221 PolarHBondContact N-O 3.49Å; Y209-L221 PolarHBondContact O-N 3.43Å; L221-V259 HydrophobicContact CD1-CG1 3.61Å; L221-I261 HydrophobicContact CB-CD1 4.19Å; L221-I261 HydrophobicContact CB-CG1 4.46Å; L221-I261 HydrophobicContact CD1-CB 4.16Å; L221-I261 HydrophobicContact CD1-CD1 4.18Å; L221-W479 HydrophobicContact CD1-CH2 4.14Å; L221-W479 HydrophobicContact CD1-CZ3 4.48Å; L221-W479 HydrophobicContact CD2-CD2 3.81Å; L221-W479 HydrophobicContact CD2-CE3 3.53Å; L221-W479 HydrophobicContact CD2-CH2 3.55Å; L221-W479 HydrophobicContact CD2-CZ2 3.89Å; L221-W479 HydrophobicContact CD2-CZ3 3.37Å; L221-W479 HydrophobicContact CG-CH2 4.4Å; L221-F482 HydrophobicContact CD2-CD2 3.96Å; L221-F482 HydrophobicContact CD2-CE2 3.74Å; L221-F482 HydrophobicContact CD2-CZ 4.21Å
222V95.3Very high85.5Confident31 Ų3145.7 Ų45.719%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-113.7110.1169.5-174.70000108.9I206 I207 V259 D260I206-V222 HydrophobicContact CG2-CG1 3.96Å; I207-V222 WeakPolarHBondContact O-CA 3.2Å; V222-V259 WeakPolarHBondContact O-CA 3.2Å; V222-D260 HydrophobicContact CB-CB 4.23Å; V222-D260 PolarHBondContact N-O 3.24Å; V222-D260 PolarHBondContact O-N 3.19Å
223Y97.4Very high86.2Confident0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-97.5128.7171.9177.2-86.4000109.2I206 I207 L225 Q257 V259 F482 F486 I489 W490I206-Y223 CarbonylContact C-O 3.55Å; I206-Y223 WeakPolarHBondContact CA-O 3.44Å; I207-Y223 HydrophobicContact CD1-CD1 3.92Å; I207-Y223 HydrophobicContact CD1-CG 4.5Å; I207-Y223 HydrophobicContact CG1-CD1 4.21Å; I207-Y223 PolarHBondContact N-O 3.28Å; I207-Y223 PolarHBondContact O-N 2.88Å; Y223-L225 HydrophobicContact CE1-CB 4.15Å; Y223-Q257 HydrophobicContact CD2-CG 4.36Å; Y223-Q257 VanDerWaalsContact CE2-CD 3.41Å; Y223-Q257 HydrophobicContact CE2-CG 3.52Å; Y223-Q257 VanDerWaalsContact CE2-OE1 3.23Å; Y223-Q257 PolarHBondContact OH-OE1 3.25Å; Y223-V259 HydrophobicContact CD2-CG2 4.3Å; Y223-F482 AromaticContact CD2-CZ 3.93Å; Y223-F482 HydrophobicContact CD2-CZ 3.93Å; Y223-F482 HydrophobicContact CG-CE2 4.29Å; Y223-F482 AromaticContact CG-CZ 3.93Å; Y223-F482 HydrophobicContact CG-CZ 3.93Å; Y223-F486 HydrophobicContact CE1-CD2 4.1Å; Y223-F486 HydrophobicContact CE1-CE2 4.42Å; Y223-F486 AromaticContact CE2-CD2 3.8Å; Y223-F486 HydrophobicContact CE2-CD2 3.8Å; Y223-F486 AromaticContact CE2-CE2 3.72Å; Y223-F486 HydrophobicContact CE2-CE2 3.72Å; Y223-F486 AromaticContact CZ-CD2 3.59Å; Y223-F486 AromaticContact CZ-CE2 3.52Å; Y223-F486 WeakPolarHBondContact OH-CE2 3.38Å; Y223-I489 HydrophobicContact CE1-CG2 4.34Å; Y223-W490 PolarHBondContact OH-NE1 2.82Å
224S98.3Very high86.7Confident2 Ų241.2 Ų41.21%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-129.1140.6173.8-47.70000110.9G205 L258G205-S224 CarbonylContact O-C 3.53Å; G205-S224 WeakPolarHBondContact O-CA 3.16Å; S224-L258 PolarHBondContact N-O 2.78Å; S224-L258 PolarHBondContact O-N 2.64Å
225L98.6Very high87.3Confident0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-118.6120.8172-172.270.9000108.3Y203 V204 G205 Y223 T255 Q257 I489 W490 N493Y203-L225 HydrophobicContact CD1-CD2 4.48Å; Y203-L225 HydrophobicContact CE1-CD2 4.44Å; V204-L225 WeakPolarHBondContact CA-O 3.18Å; G205-L225 PolarHBondContact N-O 2.91Å; G205-L225 PolarHBondContact O-N 3.06Å; Y223-L225 HydrophobicContact CE1-CB 4.15Å; L225-T255 HydrophobicContact CD1-CG2 3.59Å; L225-T255 HydrophobicContact CG-CG2 4.23Å; L225-Q257 HydrophobicContact CD1-CB 4.4Å; L225-I489 HydrophobicContact CB-CG2 3.75Å; L225-I489 HydrophobicContact CD2-CG2 3.75Å; L225-I489 HydrophobicContact CG-CG2 4.41Å; L225-W490 HydrophobicContact CD1-CH2 3.95Å; L225-W490 HydrophobicContact CD1-CZ2 3.39Å; L225-W490 HydrophobicContact CD2-CD2 3.86Å; L225-W490 HydrophobicContact CD2-CE3 4.25Å; L225-W490 HydrophobicContact CD2-CG 4.26Å; L225-W490 HydrophobicContact CD2-CH2 4.42Å; L225-W490 HydrophobicContact CD2-CZ2 4.02Å; L225-W490 HydrophobicContact CG-CZ2 4.38Å; L225-N493 HydrophobicContact CD2-CB 3.82Å
226I98.6Very high87.9Confident0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-117118.9176.8-54.4170.5000108.1I80 L135 I200 V204 R228 T255 E256 L258I80-I226 HydrophobicContact CD1-CD1 3.81Å; I80-I226 HydrophobicContact CD1-CG1 4.14Å; L135-I226 HydrophobicContact CD2-CD1 3.97Å; I200-I226 HydrophobicContact CD1-CG2 3.95Å; V204-I226 HydrophobicContact CG1-CG1 4.38Å; V204-I226 HydrophobicContact CG2-CG2 4.25Å; I226-R228 HydrophobicContact CG2-CG 4.11Å; I226-R228 VanDerWaalsContact CG2-NH1 3.33Å; I226-T255 CarbonylContact O-C 3.6Å; I226-T255 WeakPolarHBondContact O-CA 3.37Å; I226-E256 PolarHBondContact N-O 3.43Å; I226-E256 PolarHBondContact O-N 3.39Å; I226-L258 HydrophobicContact CD1-CD1 3.76Å
227S98Very high88.3Confident0 Ų035.6 Ų35.60%019%0.191CC..EExtended strand (participates in β ladder)trans-110.6124168.8-73.10000109.6G202 Y203 E254 T255 N493G202-S227 VanDerWaalsContact CA-O 3.3Å; G202-S227 WeakPolarHBondContact CA-O 3.05Å; Y203-S227 PolarHBondContact N-O 3.01Å; Y203-S227 PolarHBondContact O-N 2.73Å; S227-E254 CarbonylContact C-O 3.55Å; S227-E254 WeakPolarHBondContact CA-O 3.5Å; S227-T255 WeakPolarHBondContact OG-CG2 3.36Å; S227-T255 PolarHBondContact OG-OG1 2.87Å; S227-N493 WeakPolarHBondContact CB-OD1 3.13Å; S227-N493 PolarHBondContact OG-OD1 3.41Å
228R96.9Very high89Confident0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-113.4117177.8-65.5167.7-92.4-88.20.1109.7L135 S136 H137 F162 I200 I226 V253 E254 E256L135-R228 WeakPolarHBondContact O-CD 3.35Å; L135-R228 PolarHBondContact O-NH1 2.96Å; S136-R228 WeakPolarHBondContact O-CD 3.4Å; H137-R228 PolarHBondContact O-NH1 2.79Å; F162-R228 HydrophobicContact CB-CB 4.05Å; F162-R228 HydrophobicContact CB-CG 4.39Å; F162-R228 HydrophobicContact CD1-CB 3.52Å; F162-R228 HydrophobicContact CE1-CB 4.08Å; F162-R228 WeakPolarHBondContact CE1-O 3.48Å; F162-R228 HydrophobicContact CG-CB 3.79Å; F162-R228 HydrophobicContact CG-CG 4.43Å; I200-R228 HydrophobicContact CB-CG 4.46Å; I200-R228 HydrophobicContact CD1-CG 3.91Å; I200-R228 HydrophobicContact CG2-CG 4.32Å; I226-R228 HydrophobicContact CG2-CG 4.11Å; I226-R228 VanDerWaalsContact CG2-NH1 3.33Å; R228-V253 CarbonylContact O-C 3.45Å; R228-V253 VanDerWaalsContact O-CA 3.31Å; R228-V253 WeakPolarHBondContact O-CA 3.43Å; R228-V253 WeakPolarHBondContact O-CG1 3.49Å; R228-E254 IonicContact CZ-OE1 2.7Å; R228-E254 PolarHBondContact N-O 3.02Å; R228-E254 IonicContact NE-OE1 3.65Å; R228-E254 PolarHBondContact NE-OE1 3.09Å; R228-E254 IonicContact NH2-OE1 2.8Å; R228-E254 PolarHBondContact NH2-OE1 2.8Å; R228-E254 PolarHBondContact O-N 2.95Å; R228-E256 IonicContact CZ-OE2 2.67Å; R228-E256 IonicContact NH1-OE2 3.17Å; R228-E256 PolarHBondContact NH1-OE2 2.94Å; R228-E256 IonicContact NH2-OE2 3.33Å; R228-E256 PolarHBondContact NH2-OE2 2.79Å
229R94.7Very high89.7Confident11 Ų1134.4 Ų34.44%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-82.3134.7173.1-172.8-178-179.6-167.47.9110Q201 V253 Q500Q201-R229 WeakPolarHBondContact O-CB 3.45Å; Q201-R229 PolarHBondContact O-N 3.15Å; R229-V253 HydrophobicContact CB-CG2 4.16Å; R229-V253 HydrophobicContact CG-CG2 4.11Å; R229-Q500 PolarHBondContact NH1-O 2.88Å; R229-Q500 PolarHBondContact NH2-O 3.49Å
230S94.9Very high90.3Very high10 Ų1034.6 Ų34.67%0.0719%0.187CC..  trans-68.4141.6175.3-173.10000111.4R161 H232 T234 T252R161-S230 CarbonylContact O-C 3.36Å; R161-S230 WeakPolarHBondContact O-CA 3.4Å; R161-S230 PolarHBondContact O-OG 3.38Å; S230-H232 VanDerWaalsContact C-N 3.29Å; S230-H232 PolarHBondContact OG-N 3.35Å; S230-T234 WeakPolarHBondContact O-CG2 3.46Å; S230-T252 PolarHBondContact N-O 3.01Å
231V94.1Very high90.5Very high40 Ų4030.3 Ų30.324%0.24216%0.164CC..SBendtrans-74.9-21.4172-56.60000112.3T160 R161 W164 T234T160-V231 WeakPolarHBondContact O-CG2 3.31Å; R161-V231 PolarHBondContact O-N 3.05Å; W164-V231 HydrophobicContact CE3-CG1 3.85Å; W164-V231 HydrophobicContact CZ3-CG1 4.42Å; V231-T234 WeakPolarHBondContact O-CG2 3.49Å; V231-T234 PolarHBondContact O-OG1 3.45Å
232H92.3Very high90.4Very high58 Ų5830.3 Ų30.327%0.26916%0.163SC..THydrogen-bonded Turntrans-73.6141.2-179.1-60.1-67.8000111.2S230 T234 N248S230-H232 VanDerWaalsContact C-N 3.29Å; S230-H232 PolarHBondContact OG-N 3.35Å; H232-T234 PolarHBondContact O-N 3.19Å; H232-T234 VanDerWaalsContact O-N 3.12Å; H232-N248 HydrophobicContact CB-CB 3.81Å
233R88.9Confident90.2Very high48 Ų4828.8 Ų28.818%0.18115%0.154CC..THydrogen-bonded Turntrans46.444.2178.9-161.6171.5175.778.7-12112.7T240 R241 G242 I243 D244 N248 A250 Q297R233-T240 HydrophobicContact CG-CG2 3.67Å; R233-T240 WeakPolarHBondContact O-CG2 3.37Å; R233-R241 PolarHBondContact NH2-O 3.34Å; R233-G242 PolarHBondContact NE-O 3.42Å; R233-I243 VanDerWaalsContact CZ-O 3.27Å; R233-I243 VanDerWaalsContact NE-C 3.33Å; R233-I243 PolarHBondContact NH2-O 2.99Å; R233-D244 VanDerWaalsContact NH1-CB 3.33Å; R233-N248 HydrophobicContact CB-CB 4.37Å; R233-N248 WeakPolarHBondContact CD-O 3.5Å; R233-A250 HydrophobicContact CG-CB 4.17Å; R233-Q297 VanDerWaalsContact NH2-CD 3.27Å
234T85.7Confident90Very high58 Ų5829.9 Ų29.936%0.35616%0.16SC..  trans-74.9154.2174.349.80000110.7W164 S230 V231 H232W164-T234 HydrophobicContact CH2-CG2 3.67Å; W164-T234 HydrophobicContact CZ3-CG2 3.71Å; S230-T234 WeakPolarHBondContact O-CG2 3.46Å; V231-T234 WeakPolarHBondContact O-CG2 3.49Å; V231-T234 PolarHBondContact O-OG1 3.45Å; H232-T234 PolarHBondContact O-N 3.19Å; H232-T234 VanDerWaalsContact O-N 3.12Å
235G83.5Confident89.5Confident28 Ų2832.2 Ų32.229%0.28918%0.184SC..  trans159.6176176.100000112T240G235-T240 WeakPolarHBondContact CA-OG1 3.29Å
236T80.1Confident89.2Confident82 Ų8238.9 Ų38.950%0.50322%0.215SC..  trans-77.5154-175.357.70000111.5F238 N239 T240T236-F238 PolarHBondContact O-N 2.95Å; T236-N239 PolarHBondContact O-N 3.18Å; T236-N239 VanDerWaalsContact O-N 3.16Å; T236-N239 PolarHBondContact OG1-ND2 3.5Å; T236-T240 PolarHBondContact O-N 3.48Å
237R77.1Confident88.9Confident77 Ų7739.1 Ų39.129%0.29122%0.218SC..THydrogen-bonded Turntrans-48.6141169.9-172178.1177.6-163.9-7.5110.5N239 D432 Y501 A502R237-N239 PolarHBondContact O-N 3.1Å; R237-N239 VanDerWaalsContact O-N 3.09Å; R237-D432 IonicContact CZ-OD1 2.79Å; R237-D432 IonicContact NE-OD1 3.92Å; R237-D432 PolarHBondContact NE-OD1 3.25Å; R237-D432 IonicContact NH2-OD1 2.77Å; R237-D432 PolarHBondContact NH2-OD1 2.77Å; R237-D432 VanDerWaalsContact NH2-OD1 3.12Å; R237-D432 IonicContact NH2-OD2 3.73Å; R237-D432 PolarHBondContact NH2-OD2 3.49Å; R237-Y501 HydrophobicContact CB-CE1 4.19Å; R237-Y501 HydrophobicContact CG-CE1 4.12Å; R237-Y501 PolarHBondContact N-O 2.85Å; R237-Y501 VanDerWaalsContact N-O 3.15Å; R237-A502 HydrophobicContact CB-CB 4.48Å
238F80.5Confident88.7Confident50 Ų5040 Ų4022%0.21922%0.223CC..THydrogen-bonded Turntrans73.5-33.9-174.4-53.8-71.3000115.9T236 Q281 P283T236-F238 PolarHBondContact O-N 2.95Å; F238-Q281 WeakPolarHBondContact CA-O 3.36Å; F238-Q281 VanDerWaalsContact CB-O 3.32Å; F238-Q281 WeakPolarHBondContact CB-O 3.09Å; F238-Q281 HydrophobicContact CD1-CG 4.16Å; F238-Q281 WeakPolarHBondContact CD1-O 3.37Å; F238-Q281 HydrophobicContact CE1-CG 4.48Å; F238-Q281 VanDerWaalsContact O-O 3.07Å; F238-P283 HydrophobicContact CB-CB 4.42Å; F238-P283 HydrophobicContact CB-CG 4.46Å
239N81.8Confident88.5Confident108 Ų10840.1 Ų40.158%0.57822%0.224SC*.THydrogen-bonded Turntrans-79.8-43.6177.3-71.8-15.5000112T236 R237T236-N239 PolarHBondContact O-N 3.18Å; T236-N239 VanDerWaalsContact O-N 3.16Å; T236-N239 PolarHBondContact OG1-ND2 3.5Å; R237-N239 PolarHBondContact O-N 3.1Å; R237-N239 VanDerWaalsContact O-N 3.09Å
240T84.5Confident88.3Confident28 Ų2839.7 Ų39.717%0.17222%0.222CC..SBendtrans-118101-176.4-52.60000110R233 G235 T236 A250R233-T240 HydrophobicContact CG-CG2 3.67Å; R233-T240 WeakPolarHBondContact O-CG2 3.37Å; G235-T240 WeakPolarHBondContact CA-OG1 3.29Å; T236-T240 PolarHBondContact O-N 3.48Å; T240-A250 HydrophobicContact CG2-CB 3.88Å; T240-A250 WeakPolarHBondContact O-CB 3.31Å
241R88.2Confident88Confident5 Ų540.1 Ų40.12%0.01922%0.224CC..  trans-136.6162.4176.6-60.1-162.2-173.4-136.1-0.8111R233 W279 I431 D432R233-R241 PolarHBondContact NH2-O 3.34Å; R241-W279 HydrophobicContact CB-CD2 4.31Å; R241-W279 HydrophobicContact CB-CE3 4.2Å; R241-W279 HydrophobicContact CB-CH2 3.98Å; R241-W279 HydrophobicContact CB-CZ2 4.03Å; R241-W279 HydrophobicContact CB-CZ3 4.06Å; R241-W279 HydrophobicContact CG-CH2 4.18Å; R241-W279 HydrophobicContact CG-CZ3 4.31Å; R241-I431 PolarHBondContact NH1-O 2.84Å; R241-D432 IonicContact CZ-OD1 3.54Å; R241-D432 IonicContact NH1-OD1 3.22Å; R241-D432 PolarHBondContact NH1-OD1 2.63Å; R241-D432 IonicContact NH2-OD1 3.37Å; R241-D432 PolarHBondContact NH2-OD1 2.75Å
242G89.6Confident88Confident0 Ų039.3 Ų39.30%022%0.219CC..SBendtrans67.6-159.5-177.700000113.4R233 A250 S274 I277 W279R233-G242 PolarHBondContact NE-O 3.42Å; G242-A250 WeakPolarHBondContact O-CB 3.41Å; G242-A250 PolarHBondContact O-N 3.1Å; G242-S274 PolarHBondContact N-OG 3.4Å; G242-I277 WeakPolarHBondContact CA-O 3.19Å; G242-W279 VanDerWaalsContact CA-CD1 3.46Å
243I91.7Very high88.1Confident0 Ų036.6 Ų36.60%021%0.207CC..BIsolated β-bridgetrans-102.9151.6-175.7-159.6158.6000111.7R233 G247 N248 P276 I277 Y278 Q297 I324 H328R233-I243 VanDerWaalsContact CZ-O 3.27Å; R233-I243 VanDerWaalsContact NE-C 3.33Å; R233-I243 PolarHBondContact NH2-O 2.99Å; I243-G247 WeakPolarHBondContact CD1-O 3.42Å; I243-N248 WeakPolarHBondContact CA-O 3.42Å; I243-P276 HydrophobicContact CD1-CB 4.01Å; I243-I277 WeakPolarHBondContact CG2-O 3.35Å; I243-I277 PolarHBondContact N-O 2.96Å; I243-I277 VanDerWaalsContact N-O 3.16Å; I243-Y278 HydrophobicContact CG2-CD1 3.84Å; I243-Y278 HydrophobicContact CG2-CD2 4.46Å; I243-Y278 HydrophobicContact CG2-CE1 3.97Å; I243-Y278 HydrophobicContact CG2-CG 4.11Å; I243-Y278 WeakPolarHBondContact O-CD1 3.38Å; I243-Q297 PolarHBondContact O-OE1 3.37Å; I243-I324 HydrophobicContact CD1-CG1 3.87Å; I243-I324 HydrophobicContact CG1-CG1 4.11Å; I243-I324 HydrophobicContact CG2-CB 4.46Å; I243-I324 HydrophobicContact CG2-CG1 3.64Å; I243-I324 HydrophobicContact CG2-CG2 3.92Å; I243-H328 HydrophobicContact CD1-CB 3.66Å
244D91.2Very high88.5Confident23 Ų2334.3 Ų34.312%0.12320%0.198CC..  trans-91.5179.9165.856.532.6000112.3R233 E246 G247 N248R233-D244 VanDerWaalsContact NH1-CB 3.33Å; D244-E246 PolarHBondContact O-N 2.92Å; D244-E246 PolarHBondContact OD1-N 3.24Å; D244-G247 PolarHBondContact O-N 3.32Å; D244-G247 PolarHBondContact OD1-N 2.73Å; D244-N248 PolarHBondContact N-O 3.01Å; D244-N248 PolarHBondContact OD1-N 2.83Å; D244-N248 WeakPolarHBondContact OD2-CB 3.36Å
245G89.4Confident89.1Confident50 Ų5031.6 Ų31.652%0.51518%0.181SC..THydrogen-bonded Turntrans-69.3-14.2177.700000115.1G247 Y278G245-G247 VanDerWaalsContact C-N 3.35Å; G245-Y278 WeakPolarHBondContact CA-OH 3.37Å
246E91.7Very high89.8Confident140 Ų14030.3 Ų30.365%0.65417%0.168SC*.THydrogen-bonded Turntrans-89.2-7175.2-64.2-174.1147.800111.9D244 N248 Q327D244-E246 PolarHBondContact O-N 2.92Å; D244-E246 PolarHBondContact OD1-N 3.24Å; E246-N248 WeakPolarHBondContact CB-ND2 3.37Å; E246-N248 PolarHBondContact OE2-ND2 2.85Å; E246-Q327 VanDerWaalsContact C-NE2 3.29Å; E246-Q327 PolarHBondContact O-NE2 3.49Å; E246-Q327 VanDerWaalsContact O-NE2 3.07Å
247G92.9Very high90.7Very high6 Ų626.4 Ų26.46%0.06214%0.144CC..SBendtrans91.68.2-178.500000113.9I243 D244 G245 H328I243-G247 WeakPolarHBondContact CD1-O 3.42Å; D244-G247 PolarHBondContact O-N 3.32Å; D244-G247 PolarHBondContact OD1-N 2.73Å; G245-G247 VanDerWaalsContact C-N 3.35Å; G247-H328 PolarHBondContact O-ND1 2.8Å
248N93.6Very high91.7Very high19 Ų1922.8 Ų22.810%0.10213%0.13CC..PPolyproline II helixtrans-82.8128178.6-54.4-62.9000110.5H232 R233 I243 D244 E246H232-N248 HydrophobicContact CB-CB 3.81Å; R233-N248 HydrophobicContact CB-CB 4.37Å; R233-N248 WeakPolarHBondContact CD-O 3.5Å; I243-N248 WeakPolarHBondContact CA-O 3.42Å; D244-N248 PolarHBondContact N-O 3.01Å; D244-N248 PolarHBondContact OD1-N 2.83Å; D244-N248 WeakPolarHBondContact OD2-CB 3.36Å; E246-N248 WeakPolarHBondContact CB-ND2 3.37Å; E246-N248 PolarHBondContact OE2-ND2 2.85Å
249C92.6Very high92.5Very high2 Ų220.5 Ų20.51%0.01412%0.12CC..BIsolated β-bridgetrans-87.8139.5176.6-73.60000111.5T252 P276 H328 R427C249-T252 WeakPolarHBondContact CB-OG1 3.48Å; C249-T252 PolarHBondContact O-OG1 3.11Å; C249-P276 WeakPolarHBondContact SG-CA 3.37Å; C249-P276 WeakPolarHBondContact SG-CB 3.49Å; C249-H328 PolarHBondContact SG-CE1 2.9Å; C249-R427 PolarHBondContact SG-NH2 2.87Å; C249-R427 VanDerWaalsContact SG-NH2 3.4Å
250A90.5Very high93.1Very high1 Ų117 Ų171%0.00810%0.102CC..THydrogen-bonded Turntrans-58.9144.1171.300000111.4R233 T240 G242 T252 S274R233-A250 HydrophobicContact CG-CB 4.17Å; T240-A250 HydrophobicContact CG2-CB 3.88Å; T240-A250 WeakPolarHBondContact O-CB 3.31Å; G242-A250 WeakPolarHBondContact O-CB 3.41Å; G242-A250 PolarHBondContact O-N 3.1Å; A250-T252 PolarHBondContact O-N 3.48Å; A250-S274 VanDerWaalsContact O-CB 3.25Å; A250-S274 WeakPolarHBondContact O-CB 3.38Å; A250-S274 PolarHBondContact O-N 3.28Å
251N88.2Confident93.6Very high19 Ų1915.7 Ų15.710%0.1029%0.093CC..THydrogen-bonded Turntrans53.437.6176.6-163.536.6000114.2V253 Y501N251-V253 PolarHBondContact O-N 3.03Å; N251-Y501 HydrophobicContact CB-CD2 3.77Å; N251-Y501 HydrophobicContact CB-CE2 3.81Å; N251-Y501 HydrophobicContact CB-CG 4.25Å; N251-Y501 WeakPolarHBondContact ND2-CD1 2.99Å
252T93.3Very high93.6Very high24 Ų2417.4 Ų17.415%0.14711%0.106CC..  trans-70.2129.5175.1-60.70000109.8S230 C249 A250 R272S230-T252 PolarHBondContact N-O 3.01Å; C249-T252 WeakPolarHBondContact CB-OG1 3.48Å; C249-T252 PolarHBondContact O-OG1 3.11Å; A250-T252 PolarHBondContact O-N 3.48Å; T252-R272 CarbonylContact C-O 3.53Å; T252-R272 VanDerWaalsContact CA-O 3.29Å; T252-R272 WeakPolarHBondContact CA-O 3.13Å
253V95Very high93.7Very high1 Ų118.3 Ų18.31%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-132.4130175.9-176.80000109.2R228 R229 N251 R272R228-V253 CarbonylContact O-C 3.45Å; R228-V253 VanDerWaalsContact O-CA 3.31Å; R228-V253 WeakPolarHBondContact O-CA 3.43Å; R228-V253 WeakPolarHBondContact O-CG1 3.49Å; R229-V253 HydrophobicContact CB-CG2 4.16Å; R229-V253 HydrophobicContact CG-CG2 4.11Å; N251-V253 PolarHBondContact O-N 3.03Å; V253-R272 HydrophobicContact CB-CG 3.84Å; V253-R272 HydrophobicContact CG2-CG 4.47Å; V253-R272 PolarHBondContact N-O 3.42Å; V253-R272 PolarHBondContact O-N 3Å
254E97.3Very high93.9Very high0 Ų019.9 Ų19.90%012%0.123CC..EExtended strand (participates in β ladder)trans-94.7122168.2-174.7-171.588.900108.7T138 R141 F162 S227 R228 V269 L271 Y338T138-E254 VanDerWaalsContact CG2-CD 3.47Å; T138-E254 HydrophobicContact CG2-CG 4.5Å; T138-E254 WeakPolarHBondContact CG2-OE1 3.11Å; R141-E254 IonicContact CZ-OE2 2.7Å; R141-E254 IonicContact NH1-OE1 3.97Å; R141-E254 IonicContact NH1-OE2 3.64Å; R141-E254 PolarHBondContact NH1-OE2 2.98Å; R141-E254 IonicContact NH2-OE2 3.06Å; R141-E254 PolarHBondContact NH2-OE2 2.89Å; F162-E254 HydrophobicContact CE1-CB 3.96Å; F162-E254 HydrophobicContact CE2-CB 4.36Å; F162-E254 HydrophobicContact CZ-CB 3.63Å; F162-E254 HydrophobicContact CZ-CG 4.47Å; S227-E254 CarbonylContact C-O 3.55Å; S227-E254 WeakPolarHBondContact CA-O 3.5Å; R228-E254 IonicContact CZ-OE1 2.7Å; R228-E254 PolarHBondContact N-O 3.02Å; R228-E254 IonicContact NE-OE1 3.65Å; R228-E254 PolarHBondContact NE-OE1 3.09Å; R228-E254 IonicContact NH2-OE1 2.8Å; R228-E254 PolarHBondContact NH2-OE1 2.8Å; R228-E254 PolarHBondContact O-N 2.95Å; E254-V269 HydrophobicContact CG-CG1 3.59Å; E254-L271 HydrophobicContact CB-CD2 3.94Å; E254-L271 HydrophobicContact CG-CD2 3.91Å; E254-Y338 HydrophobicContact CG-CE1 4.28Å; E254-Y338 WeakPolarHBondContact OE2-CE1 3.18Å; E254-Y338 PolarHBondContact OE2-OH 3.26Å
255T98.1Very high94.2Very high1 Ų121.5 Ų21.51%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-114.2118.4178.1-62.60000108.9L225 I226 S227 V269 Q270 W490L225-T255 HydrophobicContact CD1-CG2 3.59Å; L225-T255 HydrophobicContact CG-CG2 4.23Å; I226-T255 CarbonylContact O-C 3.6Å; I226-T255 WeakPolarHBondContact O-CA 3.37Å; S227-T255 WeakPolarHBondContact OG-CG2 3.36Å; S227-T255 PolarHBondContact OG-OG1 2.87Å; T255-V269 CarbonylContact O-C 3.47Å; T255-V269 WeakPolarHBondContact O-CA 3.39Å; T255-Q270 PolarHBondContact N-O 2.85Å; T255-Q270 PolarHBondContact O-N 3.31Å; T255-W490 HydrophobicContact CG2-CH2 3.71Å; T255-W490 HydrophobicContact CG2-CZ2 4.41Å; T255-W490 HydrophobicContact CG2-CZ3 4.26Å
256E98.7Very high94.6Very high0 Ų019.1 Ų19.10%010%0.103CC..EExtended strand (participates in β ladder)trans-112.5125.2179177.9177.4-147.500110.2T138 L139 I226 R228 L258 S267 F268 V269T138-E256 WeakPolarHBondContact CA-OE1 3.18Å; T138-E256 WeakPolarHBondContact CA-OE2 3.23Å; L139-E256 WeakPolarHBondContact CB-OE1 3.42Å; L139-E256 PolarHBondContact N-OE1 3.31Å; I226-E256 PolarHBondContact N-O 3.43Å; I226-E256 PolarHBondContact O-N 3.39Å; R228-E256 IonicContact CZ-OE2 2.67Å; R228-E256 IonicContact NH1-OE2 3.17Å; R228-E256 PolarHBondContact NH1-OE2 2.94Å; R228-E256 IonicContact NH2-OE2 3.33Å; R228-E256 PolarHBondContact NH2-OE2 2.79Å; E256-L258 HydrophobicContact CG-CD2 3.79Å; E256-L258 HydrophobicContact CG-CG 4.08Å; E256-L258 WeakPolarHBondContact OE1-CD2 3.48Å; E256-S267 WeakPolarHBondContact CG-OG 3.33Å; E256-S267 PolarHBondContact OE1-OG 2.89Å; E256-F268 WeakPolarHBondContact CA-O 3.29Å; E256-V269 HydrophobicContact CB-CG2 4.16Å; E256-V269 HydrophobicContact CG-CG2 4.02Å
257Q98.6Very high94.9Very high1 Ų112.5 Ų12.51%0.0057%0.072CC..EExtended strand (participates in β ladder)trans-94.4124.9167.1170173.2-69.400109.1Y223 L225 V259 S267 F268 S445Y223-Q257 HydrophobicContact CD2-CG 4.36Å; Y223-Q257 VanDerWaalsContact CE2-CD 3.41Å; Y223-Q257 HydrophobicContact CE2-CG 3.52Å; Y223-Q257 VanDerWaalsContact CE2-OE1 3.23Å; Y223-Q257 PolarHBondContact OH-OE1 3.25Å; L225-Q257 HydrophobicContact CD1-CB 4.4Å; Q257-V259 HydrophobicContact CG-CG2 4.33Å; Q257-S267 CarbonylContact O-C 3.57Å; Q257-S267 WeakPolarHBondContact O-CA 3.45Å; Q257-F268 HydrophobicContact CB-CB 4.41Å; Q257-F268 PolarHBondContact N-O 3.39Å; Q257-F268 PolarHBondContact O-N 2.56Å; Q257-S445 PolarHBondContact NE2-O 3.49Å; Q257-S445 PolarHBondContact OE1-O 2.79Å; Q257-S445 PolarHBondContact OE1-OG 2.93Å
258L98.6Very high95.2Very high1 Ų112.3 Ų12.31%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-111.3140.6173.1-59.3176.9000110.5I80 F81 L139 S224 I226 E256 F266I80-L258 HydrophobicContact CD1-CD1 4.45Å; I80-L258 HydrophobicContact CG2-CD1 3.67Å; F81-L258 HydrophobicContact CE2-CD1 4.06Å; F81-L258 HydrophobicContact CZ-CB 4.4Å; F81-L258 HydrophobicContact CZ-CD1 4.13Å; F81-L258 HydrophobicContact CZ-CD2 4.35Å; L139-L258 HydrophobicContact CB-CD2 3.96Å; L139-L258 HydrophobicContact CD2-CD2 4.1Å; S224-L258 PolarHBondContact N-O 2.78Å; S224-L258 PolarHBondContact O-N 2.64Å; I226-L258 HydrophobicContact CD1-CD1 3.76Å; E256-L258 HydrophobicContact CG-CD2 3.79Å; E256-L258 HydrophobicContact CG-CG 4.08Å; E256-L258 WeakPolarHBondContact OE1-CD2 3.48Å; L258-F266 VanDerWaalsContact CA-O 3.31Å; L258-F266 WeakPolarHBondContact CA-O 3.47Å
259V97.4Very high95.4Very high1 Ų111.6 Ų11.61%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-132.6123.8174.7-173.80000108.1L221 V222 Y223 Q257 I261 R265 F266 L449 M453L221-V259 HydrophobicContact CD1-CG1 3.61Å; V222-V259 WeakPolarHBondContact O-CA 3.2Å; Y223-V259 HydrophobicContact CD2-CG2 4.3Å; Q257-V259 HydrophobicContact CG-CG2 4.33Å; V259-I261 HydrophobicContact CG1-CG2 4.06Å; V259-R265 CarbonylContact O-C 3.57Å; V259-R265 VanDerWaalsContact O-CA 3.27Å; V259-R265 WeakPolarHBondContact O-CA 3.43Å; V259-F266 HydrophobicContact CB-CB 4.16Å; V259-F266 HydrophobicContact CB-CD2 4.34Å; V259-F266 PolarHBondContact N-O 3.04Å; V259-F266 PolarHBondContact O-N 2.85Å; V259-L449 HydrophobicContact CB-CD1 4.47Å; V259-L449 HydrophobicContact CG1-CD1 4.04Å; V259-L449 HydrophobicContact CG2-CD1 3.58Å; V259-M453 HydrophobicContact CG1-CE 4.09Å
260D95.3Very high95.7Very high35 Ų3511.6 Ų11.619%0.1877%0.065CC..EExtended strand (participates in β ladder)trans-115.2118.6169.2-162.9-13000108.4F81 V222 H264 R265F81-D260 HydrophobicContact CD1-CB 4.2Å; F81-D260 WeakPolarHBondContact CD1-OD2 3.37Å; F81-D260 HydrophobicContact CE1-CB 3.96Å; V222-D260 HydrophobicContact CB-CB 4.23Å; V222-D260 PolarHBondContact N-O 3.24Å; V222-D260 PolarHBondContact O-N 3.19Å; D260-H264 WeakPolarHBondContact CA-O 3.31Å; D260-R265 IonicContact OD2-NE 2.77Å
261I93Very high96Very high0 Ų011.7 Ų11.70%07%0.066CC..EExtended strand (participates in β ladder)trans-155.6131.6-177.6-173.8170.7000110.5L217 L221 V259 G263 H264 M453 I456 I458 W479L217-I261 HydrophobicContact CD1-CD1 3.78Å; L217-I261 HydrophobicContact CD2-CD1 4.03Å; L221-I261 HydrophobicContact CB-CD1 4.19Å; L221-I261 HydrophobicContact CB-CG1 4.46Å; L221-I261 HydrophobicContact CD1-CB 4.16Å; L221-I261 HydrophobicContact CD1-CD1 4.18Å; V259-I261 HydrophobicContact CG1-CG2 4.06Å; I261-G263 PolarHBondContact O-N 3.46Å; I261-H264 PolarHBondContact N-O 3.17Å; I261-H264 WeakPolarHBondContact O-CA 3.32Å; I261-H264 WeakPolarHBondContact O-CB 3.46Å; I261-H264 PolarHBondContact O-N 2.91Å; I261-M453 HydrophobicContact CD1-SD 4.01Å; I261-M453 HydrophobicContact CG2-CE 3.98Å; I261-I456 HydrophobicContact CG2-CD1 3.72Å; I261-I458 HydrophobicContact CD1-CD1 3.66Å; I261-I458 HydrophobicContact CG1-CD1 4.33Å; I261-W479 HydrophobicContact CD1-CH2 4.1Å; I261-W479 HydrophobicContact CD1-CZ2 3.67Å
262S89.3Confident96.3Very high41 Ų4111 Ų1129%0.2876%0.062SC..THydrogen-bonded Turntrans50.533.4173.7-52.80000114.7K218 H264 N413K218-S262 WeakPolarHBondContact O-CB 3.47Å; K218-S262 PolarHBondContact O-OG 2.67Å; S262-H264 VanDerWaalsContact C-N 3.31Å; S262-N413 PolarHBondContact O-ND2 3.23Å
263G91.9Very high96.2Very high19 Ų1910.4 Ų10.420%0.1966%0.06CC..THydrogen-bonded Turntrans78.110-177.100000114.7I261 M412I261-G263 PolarHBondContact O-N 3.46Å; G263-M412 WeakPolarHBondContact O-CA 3.31Å; G263-M412 WeakPolarHBondContact O-CB 3.26Å; G263-M412 PolarHBondContact O-N 3.39Å
264H95.3Very high96.1Very high33 Ų3310.7 Ų10.715%0.1536%0.062CC..EExtended strand (participates in β ladder)trans-107.4136171.1-62.7-76.5000110.6D260 I261 S262 F266 H409 I410 D411 I456D260-H264 WeakPolarHBondContact CA-O 3.31Å; I261-H264 PolarHBondContact N-O 3.17Å; I261-H264 WeakPolarHBondContact O-CA 3.32Å; I261-H264 WeakPolarHBondContact O-CB 3.46Å; I261-H264 PolarHBondContact O-N 2.91Å; S262-H264 VanDerWaalsContact C-N 3.31Å; H264-F266 HydrophobicContact CB-CE2 3.82Å; H264-F266 HydrophobicContact CB-CZ 4.42Å; H264-H409 AromaticContact CG-NE2 3.65Å; H264-H409 AromaticContact ND1-CE1 3.96Å; H264-H409 AromaticContact ND1-NE2 3.15Å; H264-H409 PolarHBondContact ND1-NE2 3.22Å; H264-H409 VanDerWaalsContact ND1-NE2 3.15Å; H264-I410 WeakPolarHBondContact CA-O 3.44Å; H264-D411 IonicContact CE1-OD1 2.72Å; H264-D411 IonicContact CE1-OD2 2.73Å; H264-D411 IonicContact ND1-OD1 3.69Å; H264-I456 HydrophobicContact CB-CG2 4.2Å
265R97.4Very high95.8Very high57 Ų5710.7 Ų10.722%0.2156%0.062CC..EExtended strand (participates in β ladder)trans-115.9130.6174.9-64.9178.6179.4167.50.6110.3F81 L139 V259 D260 H409 I410 M412F81-R265 HydrophobicContact CD1-CG 4.12Å; F81-R265 HydrophobicContact CE1-CB 4.21Å; F81-R265 VanDerWaalsContact CE1-CD 3.43Å; F81-R265 HydrophobicContact CE1-CG 3.65Å; F81-R265 HydrophobicContact CZ-CB 4.47Å; F81-R265 HydrophobicContact CZ-CG 4.33Å; L139-R265 HydrophobicContact CD2-CB 4.4Å; V259-R265 CarbonylContact O-C 3.57Å; V259-R265 VanDerWaalsContact O-CA 3.27Å; V259-R265 WeakPolarHBondContact O-CA 3.43Å; D260-R265 IonicContact OD2-NE 2.77Å; R265-H409 WeakPolarHBondContact O-CA 3.45Å; R265-I410 HydrophobicContact CB-CB 4.37Å; R265-I410 PolarHBondContact N-O 3.28Å; R265-I410 PolarHBondContact O-N 3.09Å; R265-M412 HydrophobicContact CG-CG 3.87Å; R265-M412 HydrophobicContact CG-SD 4.41Å
266F98.3Very high95.6Very high1 Ų110.7 Ų10.70%0.0046%0.062CC..EExtended strand (participates in β ladder)trans-117.3145.4174-60.6-92.8000111.3L258 V259 H264 Q407 L408 H409 A452 I456L258-F266 VanDerWaalsContact CA-O 3.31Å; L258-F266 WeakPolarHBondContact CA-O 3.47Å; V259-F266 HydrophobicContact CB-CB 4.16Å; V259-F266 HydrophobicContact CB-CD2 4.34Å; V259-F266 PolarHBondContact N-O 3.04Å; V259-F266 PolarHBondContact O-N 2.85Å; H264-F266 HydrophobicContact CB-CE2 3.82Å; H264-F266 HydrophobicContact CB-CZ 4.42Å; F266-Q407 HydrophobicContact CD1-CG 4.06Å; F266-L408 CarbonylContact C-O 3.16Å; F266-L408 WeakPolarHBondContact CA-O 3.35Å; F266-H409 HydrophobicContact CD1-CB 3.87Å; F266-H409 AromaticContact CD1-CD2 3.91Å; F266-H409 AromaticContact CD1-CG 3.97Å; F266-H409 HydrophobicContact CE1-CB 3.68Å; F266-H409 AromaticContact CE1-CD2 3.32Å; F266-H409 WeakPolarHBondContact CE1-CD2 3.37Å; F266-H409 AromaticContact CE1-CE1 3.96Å; F266-H409 AromaticContact CE1-CG 3.34Å; F266-H409 AromaticContact CE1-ND1 3.8Å; F266-H409 AromaticContact CE1-NE2 3.73Å; F266-H409 AromaticContact CE2-CD2 3.94Å; F266-H409 AromaticContact CE2-NE2 4Å; F266-H409 AromaticContact CZ-CD2 3.34Å; F266-H409 WeakPolarHBondContact CZ-CD2 3.08Å; F266-H409 AromaticContact CZ-CE1 3.77Å; F266-H409 AromaticContact CZ-CG 3.8Å; F266-H409 AromaticContact CZ-NE2 3.32Å; F266-H409 VanDerWaalsContact CZ-NE2 3.32Å; F266-H409 WeakPolarHBondContact CZ-NE2 3.37Å; F266-A452 HydrophobicContact CD1-CB 3.74Å; F266-A452 HydrophobicContact CD2-CB 3.85Å; F266-A452 HydrophobicContact CE1-CB 3.76Å; F266-A452 HydrophobicContact CE2-CB 3.89Å; F266-A452 HydrophobicContact CG-CB 3.76Å; F266-A452 HydrophobicContact CZ-CB 3.83Å; F266-I456 HydrophobicContact CE2-CD1 4.23Å; F266-I456 HydrophobicContact CE2-CG2 4.22Å; F266-I456 HydrophobicContact CZ-CG2 3.78Å
267S98.5Very high95.3Very high1 Ų110.7 Ų10.71%0.0076%0.062CC..EExtended strand (participates in β ladder)trans-133.9124.4168.2167.90000110.4E256 Q257 Q407 L408E256-S267 WeakPolarHBondContact CG-OG 3.33Å; E256-S267 PolarHBondContact OE1-OG 2.89Å; Q257-S267 CarbonylContact O-C 3.57Å; Q257-S267 WeakPolarHBondContact O-CA 3.45Å; S267-Q407 WeakPolarHBondContact O-CB 3.43Å; S267-L408 PolarHBondContact N-O 2.98Å; S267-L408 PolarHBondContact O-N 2.94Å
268F98.7Very high95Very high1 Ų112 Ų120%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-123.7115.7176.1177.7-115.9000110.3E256 Q257 Q270 L402 Q407 F426 L444 A448E256-F268 WeakPolarHBondContact CA-O 3.29Å; Q257-F268 HydrophobicContact CB-CB 4.41Å; Q257-F268 PolarHBondContact N-O 3.39Å; Q257-F268 PolarHBondContact O-N 2.56Å; F268-Q270 HydrophobicContact CD1-CG 4.12Å; F268-Q270 VanDerWaalsContact CE1-CD 3.47Å; F268-Q270 HydrophobicContact CE1-CG 3.48Å; F268-Q270 VanDerWaalsContact CE1-CG 3.48Å; F268-Q270 HydrophobicContact CZ-CG 3.8Å; F268-L402 HydrophobicContact CZ-CD1 4.17Å; F268-Q407 HydrophobicContact CB-CB 4.23Å; F268-Q407 HydrophobicContact CD2-CB 4.25Å; F268-F426 HydrophobicContact CE2-CD2 4.38Å; F268-F426 HydrophobicContact CE2-CE2 4.36Å; F268-F426 AromaticContact CZ-CD2 3.94Å; F268-F426 HydrophobicContact CZ-CD2 3.94Å; F268-F426 HydrophobicContact CZ-CE2 4.1Å; F268-L444 HydrophobicContact CE1-CB 4.37Å; F268-A448 HydrophobicContact CB-CB 4.12Å; F268-A448 HydrophobicContact CD1-CB 3.59Å; F268-A448 HydrophobicContact CD2-CB 4.05Å; F268-A448 HydrophobicContact CE1-CB 3.9Å; F268-A448 HydrophobicContact CE2-CB 4.35Å; F268-A448 HydrophobicContact CG-CB 3.65Å; F268-A448 HydrophobicContact CZ-CB 4.28Å
269V98.6Very high94.6Very high5 Ų512.3 Ų12.33%0.037%0.068CC..EExtended strand (participates in β ladder)trans-106.5134.3-174-177.70000110.8T138 E254 T255 E256 Y338 Q422 T425T138-V269 HydrophobicContact CG2-CG1 4.18Å; T138-V269 HydrophobicContact CG2-CG2 3.6Å; E254-V269 HydrophobicContact CG-CG1 3.59Å; T255-V269 CarbonylContact O-C 3.47Å; T255-V269 WeakPolarHBondContact O-CA 3.39Å; E256-V269 HydrophobicContact CB-CG2 4.16Å; E256-V269 HydrophobicContact CG-CG2 4.02Å; V269-Y338 HydrophobicContact CG1-CD1 4.44Å; V269-Y338 HydrophobicContact CG1-CE1 4.11Å; V269-Q422 PolarHBondContact O-NE2 2.94Å; V269-T425 HydrophobicContact CB-CG2 4.41Å; V269-T425 HydrophobicContact CG1-CG2 4.46Å; V269-T425 WeakPolarHBondContact O-CG2 2.95Å
270Q98Very high94.2Very high1 Ų113.1 Ų13.11%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-129.2153.2174.3-60.9-176.277.200110.2T255 F268 Q441 S445T255-Q270 PolarHBondContact N-O 2.85Å; T255-Q270 PolarHBondContact O-N 3.31Å; F268-Q270 HydrophobicContact CD1-CG 4.12Å; F268-Q270 VanDerWaalsContact CE1-CD 3.47Å; F268-Q270 HydrophobicContact CE1-CG 3.48Å; F268-Q270 VanDerWaalsContact CE1-CG 3.48Å; F268-Q270 HydrophobicContact CZ-CG 3.8Å; Q270-Q441 PolarHBondContact NE2-O 3.23Å; Q270-S445 PolarHBondContact NE2-OG 3.33Å
271L96.5Very high93.8Very high3 Ų311.4 Ų11.42%0.0167%0.065CC..EExtended strand (participates in β ladder)trans-115.8150.2178.1-60.4179.8000110.8E254 L332 Y338 F426 R427 S428 Q441E254-L271 HydrophobicContact CB-CD2 3.94Å; E254-L271 HydrophobicContact CG-CD2 3.91Å; L271-L332 HydrophobicContact CD1-CD1 4.15Å; L271-L332 HydrophobicContact CD1-CD2 3.99Å; L271-Y338 HydrophobicContact CD1-CD1 4.2Å; L271-Y338 HydrophobicContact CD1-CD2 3.83Å; L271-Y338 HydrophobicContact CD1-CE1 4.24Å; L271-Y338 HydrophobicContact CD1-CE2 3.9Å; L271-Y338 HydrophobicContact CD1-CG 3.99Å; L271-Y338 HydrophobicContact CD2-CD1 4.4Å; L271-Y338 HydrophobicContact CD2-CE1 3.74Å; L271-Y338 HydrophobicContact CD2-CE2 4.26Å; L271-Y338 HydrophobicContact CG-CE1 4.33Å; L271-F426 PolarHBondContact N-O 2.92Å; L271-R427 HydrophobicContact CB-CB 4.26Å; L271-R427 HydrophobicContact CB-CG 4.24Å; L271-R427 WeakPolarHBondContact O-CA 3.19Å; L271-S428 PolarHBondContact O-N 3.07Å; L271-S428 PolarHBondContact O-OG 2.7Å; L271-Q441 PolarHBondContact O-NE2 3.33Å
272R93.9Very high93.3Very high6 Ų618.5 Ų18.52%0.0239%0.091CC..EExtended strand (participates in β ladder)trans-141.9158.3162.167.6174-171.6-140.3-14.3110.3T252 V253 S428 C497T252-R272 CarbonylContact C-O 3.53Å; T252-R272 VanDerWaalsContact CA-O 3.29Å; T252-R272 WeakPolarHBondContact CA-O 3.13Å; V253-R272 HydrophobicContact CB-CG 3.84Å; V253-R272 HydrophobicContact CG2-CG 4.47Å; V253-R272 PolarHBondContact N-O 3.42Å; V253-R272 PolarHBondContact O-N 3Å; R272-S428 WeakPolarHBondContact CA-O 3.4Å; R272-S428 WeakPolarHBondContact CB-OG 3.39Å; R272-C497 PolarHBondContact NH2-SG 2.9Å
273G92.1Very high93.1Very high10 Ų1020.3 Ų20.310%0.10310%0.103CC..  trans175.9177.1174.500000112.2R427 S428 N429G273-R427 PolarHBondContact O-NH1 3.47Å; G273-S428 PolarHBondContact N-O 3.01Å; G273-N429 PolarHBondContact O-ND2 2.96Å
274S92.1Very high92.6Very high8 Ų823.3 Ų23.36%0.05611%0.114CC..SBendtrans-56.7158.5173.6-155.60000111.6G242 A250 W279 R427 N429G242-S274 PolarHBondContact N-OG 3.4Å; A250-S274 VanDerWaalsContact O-CB 3.25Å; A250-S274 WeakPolarHBondContact O-CB 3.38Å; A250-S274 PolarHBondContact O-N 3.28Å; S274-W279 WeakPolarHBondContact OG-CZ2 3.47Å; S274-R427 PolarHBondContact O-NH2 3.02Å; S274-N429 PolarHBondContact O-ND2 3.13Å; S274-N429 VanDerWaalsContact O-ND2 3.1Å
275V92.7Very high92.1Very high0 Ų030.8 Ų30.80%015%0.154CC..  trans-60.8126.7176.2-177.10000108.7I277 W279 L347 L356 Y360 N429V275-I277 HydrophobicContact CG1-CD1 4.15Å; V275-I277 HydrophobicContact CG1-CG1 3.88Å; V275-I277 HydrophobicContact CG1-CG2 4.46Å; V275-I277 PolarHBondContact O-N 3.33Å; V275-W279 PolarHBondContact O-NE1 3.05Å; V275-L347 HydrophobicContact CG2-CD1 4Å; V275-L356 HydrophobicContact CB-CD1 4.47Å; V275-L356 HydrophobicContact CG1-CD1 4.39Å; V275-L356 HydrophobicContact CG2-CD2 4.01Å; V275-L356 HydrophobicContact CG2-CG 4.26Å; V275-Y360 HydrophobicContact CG1-CD1 3.63Å; V275-Y360 HydrophobicContact CG1-CD2 3.83Å; V275-Y360 HydrophobicContact CG1-CE1 4.14Å; V275-Y360 HydrophobicContact CG1-CE2 4.35Å; V275-Y360 HydrophobicContact CG1-CG 3.43Å; V275-Y360 VanDerWaalsContact CG1-CG 3.43Å; V275-N429 WeakPolarHBondContact CA-ND2 3.3Å; V275-N429 HydrophobicContact CG2-CB 4.49Å
276P93.2Very high91.2Very high0 Ų036.6 Ų36.60%018%0.176CC..SBendtrans-79.148.8-170.335.7-39.5000113.1I243 C249 H328 F329 Y360I243-P276 HydrophobicContact CD1-CB 4.01Å; C249-P276 WeakPolarHBondContact SG-CA 3.37Å; C249-P276 WeakPolarHBondContact SG-CB 3.49Å; P276-H328 HydrophobicContact CB-CB 4.2Å; P276-H328 WeakPolarHBondContact CB-CD2 3.44Å; P276-F329 HydrophobicContact CG-CE2 3.93Å; P276-F329 HydrophobicContact CG-CZ 3.95Å; P276-Y360 VanDerWaalsContact CD-CE2 3.42Å; P276-Y360 VanDerWaalsContact CD-CZ 3.46Å; P276-Y360 WeakPolarHBondContact CD-OH 3.35Å; P276-Y360 HydrophobicContact CG-CD2 4.23Å; P276-Y360 HydrophobicContact CG-CE2 3.35Å
277I93.1Very high89.9Confident0 Ų047.9 Ų47.90%022%0.22CC..SBendtrans-133.7163.4175.374.4178000108G242 I243 V275 W279 L293 Q321 L356 A359 Y360 A363G242-I277 WeakPolarHBondContact CA-O 3.19Å; I243-I277 WeakPolarHBondContact CG2-O 3.35Å; I243-I277 PolarHBondContact N-O 2.96Å; I243-I277 VanDerWaalsContact N-O 3.16Å; V275-I277 HydrophobicContact CG1-CD1 4.15Å; V275-I277 HydrophobicContact CG1-CG1 3.88Å; V275-I277 HydrophobicContact CG1-CG2 4.46Å; V275-I277 PolarHBondContact O-N 3.33Å; I277-W279 PolarHBondContact O-N 3.11Å; I277-L293 HydrophobicContact CD1-CD2 4.19Å; I277-Q321 VanDerWaalsContact CB-OE1 3.26Å; I277-L356 HydrophobicContact CD1-CD1 3.86Å; I277-L356 HydrophobicContact CG1-CD1 4.19Å; I277-A359 HydrophobicContact CD1-CB 3.8Å; I277-Y360 HydrophobicContact CG2-CD2 4.11Å; I277-A363 HydrophobicContact CG2-CB 3.83Å
278Y91.8Very high88.8Confident30 Ų3051.9 Ų51.912%0.11824%0.238CC..SBendtrans-72.6110.3174-65.6-69.8000110.2I243 G245 G294 Q297 L298 I320 Q321 I324I243-Y278 HydrophobicContact CG2-CD1 3.84Å; I243-Y278 HydrophobicContact CG2-CD2 4.46Å; I243-Y278 HydrophobicContact CG2-CE1 3.97Å; I243-Y278 HydrophobicContact CG2-CG 4.11Å; I243-Y278 WeakPolarHBondContact O-CD1 3.38Å; G245-Y278 WeakPolarHBondContact CA-OH 3.37Å; Y278-G294 PolarHBondContact O-N 3.44Å; Y278-Q297 HydrophobicContact CD1-CB 4.28Å; Y278-Q297 HydrophobicContact CE1-CB 4.48Å; Y278-L298 VanDerWaalsContact CB-CD1 3.43Å; Y278-L298 HydrophobicContact CD1-CD1 4.32Å; Y278-L298 HydrophobicContact CD2-CD1 3.3Å; Y278-L298 HydrophobicContact CD2-CG 4.43Å; Y278-L298 HydrophobicContact CE2-CD1 4.06Å; Y278-L298 HydrophobicContact CG-CD1 3.44Å; Y278-L298 VanDerWaalsContact CG-CD1 3.44Å; Y278-I320 HydrophobicContact CD2-CG2 4.02Å; Y278-I320 HydrophobicContact CE2-CG2 3.8Å; Y278-Q321 PolarHBondContact O-NE2 2.8Å; Y278-I324 HydrophobicContact CD2-CB 4.36Å; Y278-I324 HydrophobicContact CD2-CG2 3.78Å; Y278-I324 HydrophobicContact CE2-CB 3.69Å; Y278-I324 HydrophobicContact CE2-CD1 4.49Å; Y278-I324 HydrophobicContact CE2-CG1 3.81Å; Y278-I324 HydrophobicContact CE2-CG2 3.64Å
279W90.5Very high87.9Confident7 Ų752.1 Ų52.13%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-151.7158.4171.567.4-80.4000110.4R241 G242 S274 V275 I277 Q281 V291 L292 L293 L356 I431R241-W279 HydrophobicContact CB-CD2 4.31Å; R241-W279 HydrophobicContact CB-CE3 4.2Å; R241-W279 HydrophobicContact CB-CH2 3.98Å; R241-W279 HydrophobicContact CB-CZ2 4.03Å; R241-W279 HydrophobicContact CB-CZ3 4.06Å; R241-W279 HydrophobicContact CG-CH2 4.18Å; R241-W279 HydrophobicContact CG-CZ3 4.31Å; G242-W279 VanDerWaalsContact CA-CD1 3.46Å; S274-W279 WeakPolarHBondContact OG-CZ2 3.47Å; V275-W279 PolarHBondContact O-NE1 3.05Å; I277-W279 PolarHBondContact O-N 3.11Å; W279-Q281 HydrophobicContact CE3-CB 4.49Å; W279-Q281 HydrophobicContact CZ3-CB 4.13Å; W279-V291 HydrophobicContact CE3-CG1 3.87Å; W279-V291 HydrophobicContact CZ3-CG1 4.43Å; W279-L292 CarbonylContact C-O 3.54Å; W279-L292 VanDerWaalsContact CA-O 3.24Å; W279-L292 WeakPolarHBondContact CA-O 3.44Å; W279-L293 HydrophobicContact CB-CD2 4.37Å; W279-L356 HydrophobicContact CB-CD1 3.88Å; W279-L356 HydrophobicContact CD2-CD1 3.85Å; W279-L356 HydrophobicContact CD2-CD2 4.03Å; W279-L356 HydrophobicContact CE3-CD1 4.45Å; W279-L356 HydrophobicContact CE3-CD2 4.12Å; W279-L356 HydrophobicContact CG-CD1 3.57Å; W279-L356 HydrophobicContact CH2-CD2 4.03Å; W279-L356 HydrophobicContact CZ2-CD2 3.99Å; W279-L356 HydrophobicContact CZ3-CD2 4.11Å; W279-I431 HydrophobicContact CH2-CD1 4.34Å; W279-I431 HydrophobicContact CH2-CG1 3.65Å; W279-I431 HydrophobicContact CZ3-CD1 4.19Å; W279-I431 HydrophobicContact CZ3-CG1 3.98Å
280S88.2Confident87.1Confident17 Ų1753.7 Ų53.712%0.11925%0.252CS..EExtended strand (participates in β ladder)trans-140.9157.5176.665.90000110.4L292S280-L292 PolarHBondContact N-O 3.28Å; S280-L292 PolarHBondContact O-N 2.83Å
281Q86.3Confident86.5Confident0 Ų054.8 Ų54.80%026%0.259CS..  trans-144.572.7174.9-171.3-178.321.700107.2F238 W279 P289F238-Q281 WeakPolarHBondContact CA-O 3.36Å; F238-Q281 VanDerWaalsContact CB-O 3.32Å; F238-Q281 WeakPolarHBondContact CB-O 3.09Å; F238-Q281 HydrophobicContact CD1-CG 4.16Å; F238-Q281 WeakPolarHBondContact CD1-O 3.37Å; F238-Q281 HydrophobicContact CE1-CG 4.48Å; F238-Q281 VanDerWaalsContact O-O 3.07Å; W279-Q281 HydrophobicContact CE3-CB 4.49Å; W279-Q281 HydrophobicContact CZ3-CB 4.13Å; Q281-P289 HydrophobicContact CG-CB 4.08Å; Q281-P289 WeakPolarHBondContact CG-O 3.44Å; Q281-P289 PolarHBondContact NE2-O 3.12Å
282R83.9Confident85.9Confident148 Ų14859.2 Ų59.256%0.55828%0.282SS*.  trans-66142.6-175.6-72-171.9175.7173.9-4.5110.6N284 P289 S296R282-N284 PolarHBondContact O-N 3.28Å; R282-P289 WeakPolarHBondContact O-CB 3.49Å; R282-S296 PolarHBondContact NH2-OG 3.31Å
283P83.3Confident85.5Confident80 Ų8062 Ų6252%0.51930%0.298SS..  trans-61.3136.7177.126.6-31.9000109.9F238F238-P283 HydrophobicContact CB-CB 4.42Å; F238-P283 HydrophobicContact CB-CG 4.46Å
284N82.9Confident84.7Confident82 Ų8262.2 Ų62.244%0.43930%0.299SS..  trans-141.7179.3170.665.123.5000108.6R282 R286R282-N284 PolarHBondContact O-N 3.28Å; N284-R286 PolarHBondContact O-N 2.89Å; N284-R286 WeakPolarHBondContact OD1-CB 3.5Å; N284-R286 PolarHBondContact OD1-N 3.06Å
285L83.8Confident83.4Confident190 Ų19062.3 Ų62.3100%0.99530%0.302SS*.SBendtrans-66.8-3.4-178.5-65.6170.4000114.1
286R78Confident81.6Confident179 Ų17964.8 Ų64.868%0.67532%0.319SS*.SBendtrans-85.4142.9176.9-57.6-176.8175.1178.9-1.2110.3N284 K288N284-R286 PolarHBondContact O-N 2.89Å; N284-R286 WeakPolarHBondContact OD1-CB 3.5Å; N284-R286 PolarHBondContact OD1-N 3.06Å; R286-K288 VanDerWaalsContact C-N 3.3Å; R286-K288 PolarHBondContact O-N 2.86Å
287Y71Confident79.8Confident237 Ų23768.3 Ų68.393%0.92934%0.336SS*.SBendtrans-54.7-42176.5-179-101000113.6
288K75.9Confident78.1Confident86 Ų8668.5 Ų68.537%0.37434%0.337SS..SBendtrans-120.898.8171.3-159.8174.6-178.41720108.3R286 M352 E353R286-K288 VanDerWaalsContact C-N 3.3Å; R286-K288 PolarHBondContact O-N 2.86Å; K288-M352 HydrophobicContact CB-CE 4.08Å; K288-M352 HydrophobicContact CD-CE 4.09Å; K288-M352 HydrophobicContact CG-CE 3.67Å; K288-M352 WeakPolarHBondContact O-CE 3.37Å; K288-E353 IonicContact NZ-OE1 3.17Å; K288-E353 PolarHBondContact NZ-OE1 3.47Å
289P80Confident76.1Confident6 Ų670 Ų704%0.03935%0.352CS..PPolyproline II helixtrans-62.2148.8177.6-2232.1000111.7Q281 R282 M352Q281-P289 HydrophobicContact CG-CB 4.08Å; Q281-P289 WeakPolarHBondContact CG-O 3.44Å; Q281-P289 PolarHBondContact NE2-O 3.12Å; R282-P289 WeakPolarHBondContact O-CB 3.49Å; P289-M352 WeakPolarHBondContact O-CE 3.36Å
290A81.5Confident73.8Confident37 Ų3773.6 Ų73.631%0.30638%0.378SS..PPolyproline II helixtrans-66.7144.5-17700000112.2M352A290-M352 HydrophobicContact CB-SD 4.3Å
291V84.8Confident71.7Confident25 Ų2576.6 Ų76.615%0.15240%0.398CS..PPolyproline II helixtrans-81.3122171.4-179.50000108.5W279 M352 L356 I431W279-V291 HydrophobicContact CE3-CG1 3.87Å; W279-V291 HydrophobicContact CZ3-CG1 4.43Å; V291-M352 HydrophobicContact CG2-CB 4.49Å; V291-L356 HydrophobicContact CG1-CB 4.17Å; V291-L356 HydrophobicContact CG1-CD1 4.34Å; V291-L356 HydrophobicContact CG1-CD2 4.37Å; V291-I431 HydrophobicContact CG2-CD1 3.62Å
292L85.5Confident69.9Low95 Ų9578.5 Ų78.550%0.49741%0.408SS..EExtended strand (participates in β ladder)trans-106.6114.5178.1-60.9176000109.1W279 S280W279-L292 CarbonylContact C-O 3.54Å; W279-L292 VanDerWaalsContact CA-O 3.24Å; W279-L292 WeakPolarHBondContact CA-O 3.44Å; S280-L292 PolarHBondContact N-O 3.28Å; S280-L292 PolarHBondContact O-N 2.83Å
293L84.9Confident67.9Low66 Ų6676.4 Ų76.435%0.34641%0.412SS..EExtended strand (participates in β ladder)trans-73.2140.9170.8-65.2175.3000109.5I277 W279 G295 L317 L356 A359I277-L293 HydrophobicContact CD1-CD2 4.19Å; W279-L293 HydrophobicContact CB-CD2 4.37Å; L293-G295 VanDerWaalsContact C-N 3.33Å; L293-G295 PolarHBondContact O-N 3.22Å; L293-L317 HydrophobicContact CB-CD2 4.2Å; L293-L356 HydrophobicContact CD2-CD1 3.97Å; L293-A359 HydrophobicContact CD1-CB 3.79Å; L293-A359 HydrophobicContact CD2-CB 3.81Å; L293-A359 HydrophobicContact CG-CB 4.47Å
294G74.9Confident66Low13 Ų1380.4 Ų80.413%0.13442%0.424CS..THydrogen-bonded Turntrans63.536-179.300000113.7Y278 L298Y278-G294 PolarHBondContact O-N 3.44Å; G294-L298 WeakPolarHBondContact O-CB 3.26Å
295G65.1Low64.1Low11 Ų1180 Ų8011%0.11343%0.427CS..  trans-51.2-167.9-176.100000115.6L293 Q297 L298L293-G295 VanDerWaalsContact C-N 3.33Å; L293-G295 PolarHBondContact O-N 3.22Å; G295-Q297 PolarHBondContact O-N 3.4Å; G295-L298 PolarHBondContact O-N 2.86Å
296S53.9Low62.5Low52 Ų5276.8 Ų76.836%0.36442%0.418SS..Hα-helixtrans-50.2-21.1-164.671.20000117.8R282 L298 S299R282-S296 PolarHBondContact NH2-OG 3.31Å; S296-L298 VanDerWaalsContact C-N 3.33Å; S296-S299 WeakPolarHBondContact CA-OG 3.32Å; S296-S299 PolarHBondContact O-N 2.73Å
297Q56.9Low61.3Low74 Ų7475.5 Ų75.535%0.34642%0.424SS..Hα-helixtrans-70.1-26.2176.8-55.1-157.2-51.300114R233 I243 Y278 G295 S300R233-Q297 VanDerWaalsContact NH2-CD 3.27Å; I243-Q297 PolarHBondContact O-OE1 3.37Å; Y278-Q297 HydrophobicContact CD1-CB 4.28Å; Y278-Q297 HydrophobicContact CE1-CB 4.48Å; G295-Q297 PolarHBondContact O-N 3.4Å; Q297-S300 PolarHBondContact O-OG 2.87Å; Q297-S300 VanDerWaalsContact O-OG 3.08Å
298L56.6Low60.5Low4 Ų467 Ų672%0.02140%0.395CS..Hα-helixtrans-93-21.9172.9-106.1133.3000112.3Y278 G294 G295 S296 S300 S301 I302 L317 I320Y278-L298 VanDerWaalsContact CB-CD1 3.43Å; Y278-L298 HydrophobicContact CD1-CD1 4.32Å; Y278-L298 HydrophobicContact CD2-CD1 3.3Å; Y278-L298 HydrophobicContact CD2-CG 4.43Å; Y278-L298 HydrophobicContact CE2-CD1 4.06Å; Y278-L298 HydrophobicContact CG-CD1 3.44Å; Y278-L298 VanDerWaalsContact CG-CD1 3.44Å; G294-L298 WeakPolarHBondContact O-CB 3.26Å; G295-L298 PolarHBondContact O-N 2.86Å; S296-L298 VanDerWaalsContact C-N 3.33Å; L298-S300 PolarHBondContact O-N 3.2Å; L298-S301 PolarHBondContact O-N 3.4Å; L298-S301 PolarHBondContact O-OG 3.44Å; L298-I302 HydrophobicContact CB-CD1 4.32Å; L298-I302 HydrophobicContact CD2-CD1 3.36Å; L298-I302 HydrophobicContact CD2-CG1 3.81Å; L298-I302 HydrophobicContact CG-CD1 4.46Å; L298-I302 PolarHBondContact O-N 3.4Å; L298-L317 HydrophobicContact CD1-CD1 3.78Å; L298-L317 HydrophobicContact CD2-CD1 4.09Å; L298-I320 HydrophobicContact CD1-CG2 4.09Å; L298-I320 HydrophobicContact CD2-CB 4.45Å; L298-I320 HydrophobicContact CD2-CD1 3.56Å; L298-I320 HydrophobicContact CD2-CG2 4.01Å; L298-I320 HydrophobicContact CG-CG2 4.4Å
299S49.4Very low59.5Low62 Ų6266.9 Ų66.943%0.43440%0.401SS..Hα-helixtrans-60.5-28.9176.3-48.40000112.1S296 T303S296-S299 WeakPolarHBondContact CA-OG 3.32Å; S296-S299 PolarHBondContact O-N 2.73Å; S299-T303 WeakPolarHBondContact O-CB 3.38Å; S299-T303 WeakPolarHBondContact O-CG2 3.45Å; S299-T303 PolarHBondContact O-OG1 3.22Å
300S43.8Very low58.5Low82 Ų8273.5 Ų73.557%0.57344%0.436SS*.Hα-helixtrans-73.5-24.7173.5420000114.1Q297 L298Q297-S300 PolarHBondContact O-OG 2.87Å; Q297-S300 VanDerWaalsContact O-OG 3.08Å; L298-S300 PolarHBondContact O-N 3.2Å
301S44.2Very low57.5Low79 Ų7978.3 Ų78.355%0.55246%0.456SS*.Hα-helixtrans-99.7-28.4-177.829.20000113.4L298L298-S301 PolarHBondContact O-N 3.4Å; L298-S301 PolarHBondContact O-OG 3.44Å
302I47.9Very low56.3Low41 Ų4181.5 Ų81.521%0.2147%0.47CS..Hα-helixtrans-84.1-26.1178.8-64.5175.7000112.4L298 H304 S305L298-I302 HydrophobicContact CB-CD1 4.32Å; L298-I302 HydrophobicContact CD2-CD1 3.36Å; L298-I302 HydrophobicContact CD2-CG1 3.81Å; L298-I302 HydrophobicContact CG-CD1 4.46Å; L298-I302 PolarHBondContact O-N 3.4Å; I302-H304 PolarHBondContact O-N 3.01Å; I302-S305 PolarHBondContact O-N 3.45Å
303T41.6Very low55.2Low103 Ų10379.8 Ų79.863%0.63246%0.46SS*.THydrogen-bonded Turntrans-67.3-2.1-175.642.80000115.4S299S299-T303 WeakPolarHBondContact O-CB 3.38Å; S299-T303 WeakPolarHBondContact O-CG2 3.45Å; S299-T303 PolarHBondContact O-OG1 3.22Å
304H42.7Very low54.2Low165 Ų16578.1 Ų78.176%0.76446%0.459SS*.THydrogen-bonded Turntrans-95.67.9175-73.7-28.8000115.5I302I302-H304 PolarHBondContact O-N 3.01Å
305S44.1Very low53.9Low73 Ų7385 Ų8551%0.5149%0.486SS..  trans-125.690.3170.5-90.60000112I302 N307I302-S305 PolarHBondContact O-N 3.45Å; S305-N307 PolarHBondContact O-N 2.94Å; S305-N307 VanDerWaalsContact O-N 3.12Å
306P50.4Low54.7Low123 Ų12387.7 Ų87.780%0.79950%0.497SS*.THydrogen-bonded Turntrans-71.81.8-177.126.7-32.4000115.2
307N52.6Low56.2Low152 Ų15286.7 Ų86.781%0.81349%0.488SS*.THydrogen-bonded Turntrans-114.710.4-174-71.2-15.2000115.1S305S305-N307 PolarHBondContact O-N 2.94Å; S305-N307 VanDerWaalsContact O-N 3.12Å
308L53.3Low57.6Low59 Ų5988.8 Ų88.831%0.30950%0.497SS..  trans-87.1128.8179.9-69.4163000110.8E312 I313L308-E312 HydrophobicContact CB-CB 4.24Å; L308-E312 HydrophobicContact CD2-CB 3.73Å; L308-E312 HydrophobicContact CD2-CG 4.45Å; L308-I313 HydrophobicContact CB-CG1 3.86Å
309T55.8Low59.2Low83 Ų8390.9 Ų90.951%0.50952%0.516SS..  trans-67.6154.7170.957.10000111N311 E312 I313T309-N311 PolarHBondContact O-N 3.42Å; T309-E312 PolarHBondContact N-OE2 3.18Å; T309-E312 WeakPolarHBondContact O-CA 3.31Å; T309-E312 WeakPolarHBondContact O-CB 3.3Å; T309-E312 PolarHBondContact O-N 3.31Å; T309-E312 VanDerWaalsContact OG1-CD 3.26Å; T309-E312 VanDerWaalsContact OG1-CG 3.31Å; T309-E312 WeakPolarHBondContact OG1-CG 3.5Å; T309-E312 PolarHBondContact OG1-OE2 2.93Å; T309-I313 PolarHBondContact O-N 3.45Å
310D59.2Low61.1Low144 Ų14490.1 Ų90.177%0.7751%0.506SS*.Hα-helixtrans-51.5-34.6-179.4-77-22.9000113.3I313 G314D310-I313 PolarHBondContact O-N 2.96Å; D310-G314 PolarHBondContact O-N 2.87Å
311N60Low63.5Low138 Ų13886.5 Ų86.574%0.73848%0.48SS*.Hα-helixtrans-68.7-37.4175.5-84.4-20.5000113.1T309 G314 K315T309-N311 PolarHBondContact O-N 3.42Å; N311-G314 PolarHBondContact O-N 2.95Å; N311-K315 PolarHBondContact O-N 3.23Å
312E59.6Low65.8Low93 Ų9383.3 Ų83.344%0.43546%0.458SS..Hα-helixtrans-72.1-36.1176.4-68.1167.6135.400111L308 T309 G314 N316L308-E312 HydrophobicContact CB-CB 4.24Å; L308-E312 HydrophobicContact CD2-CB 3.73Å; L308-E312 HydrophobicContact CD2-CG 4.45Å; T309-E312 PolarHBondContact N-OE2 3.18Å; T309-E312 WeakPolarHBondContact O-CA 3.31Å; T309-E312 WeakPolarHBondContact O-CB 3.3Å; T309-E312 PolarHBondContact O-N 3.31Å; T309-E312 VanDerWaalsContact OG1-CD 3.26Å; T309-E312 VanDerWaalsContact OG1-CG 3.31Å; T309-E312 WeakPolarHBondContact OG1-CG 3.5Å; T309-E312 PolarHBondContact OG1-OE2 2.93Å; E312-G314 VanDerWaalsContact C-N 3.33Å; E312-N316 WeakPolarHBondContact O-CB 3.27Å; E312-N316 PolarHBondContact O-N 3.47Å
313I61.7Low68Low58 Ų5885.6 Ų85.630%0.29747%0.471SS..Hα-helixtrans-61.2-44.9170.9-60.8171.7000110L308 T309 D310 N316 L317L308-I313 HydrophobicContact CB-CG1 3.86Å; T309-I313 PolarHBondContact O-N 3.45Å; D310-I313 PolarHBondContact O-N 2.96Å; I313-N316 PolarHBondContact O-N 3.19Å; I313-L317 WeakPolarHBondContact O-CB 3.41Å; I313-L317 PolarHBondContact O-N 2.89Å
314G64.6Low70.5Confident31 Ų3181 Ų8132%0.3244%0.442SS..Hα-helixtrans-61.3-49.7177.300000113.4D310 N311 E312 N316 L317 E318D310-G314 PolarHBondContact O-N 2.87Å; N311-G314 PolarHBondContact O-N 2.95Å; E312-G314 VanDerWaalsContact C-N 3.33Å; G314-N316 PolarHBondContact O-N 2.77Å; G314-L317 WeakPolarHBondContact O-CB 3.39Å; G314-L317 PolarHBondContact O-N 3.07Å; G314-E318 PolarHBondContact O-N 3.19Å
315K67.9Low73.1Confident158 Ų15873.1 Ų73.169%0.68741%0.406SS*.Hα-helixtrans-63.3-40.7176.4-81.5-174.4175-179.40112.6N311 L317 E318 A319N311-K315 PolarHBondContact O-N 3.23Å; K315-L317 VanDerWaalsContact C-N 3.3Å; K315-L317 PolarHBondContact O-N 3.3Å; K315-E318 PolarHBondContact O-N 3.39Å; K315-A319 PolarHBondContact O-N 2.95Å; K315-A319 VanDerWaalsContact O-N 3.09Å
316N81.7Confident75.6Confident67 Ų6774.7 Ų74.736%0.35840%0.401SS..Hα-helixtrans-63.6-40.8176.3-165.73.4000110.4E312 I313 G314 A319 I320E312-N316 WeakPolarHBondContact O-CB 3.27Å; E312-N316 PolarHBondContact O-N 3.47Å; I313-N316 PolarHBondContact O-N 3.19Å; G314-N316 PolarHBondContact O-N 2.77Å; N316-A319 PolarHBondContact O-N 3.35Å; N316-I320 WeakPolarHBondContact O-CB 3.24Å; N316-I320 WeakPolarHBondContact O-CD1 3.07Å; N316-I320 WeakPolarHBondContact O-CG1 3.33Å; N316-I320 PolarHBondContact O-N 3.05Å; N316-I320 WeakPolarHBondContact OD1-CD1 3.29Å
317L85.5Confident77.8Confident31 Ų3172.8 Ų72.816%0.16238%0.381CS..Hα-helixtrans-60.3-50.5174.5-177.262.4000111.4L293 L298 I313 G314 K315 A319 I320 Q321L293-L317 HydrophobicContact CB-CD2 4.2Å; L298-L317 HydrophobicContact CD1-CD1 3.78Å; L298-L317 HydrophobicContact CD2-CD1 4.09Å; I313-L317 WeakPolarHBondContact O-CB 3.41Å; I313-L317 PolarHBondContact O-N 2.89Å; G314-L317 WeakPolarHBondContact O-CB 3.39Å; G314-L317 PolarHBondContact O-N 3.07Å; K315-L317 VanDerWaalsContact C-N 3.3Å; K315-L317 PolarHBondContact O-N 3.3Å; L317-A319 VanDerWaalsContact C-N 3.3Å; L317-A319 PolarHBondContact O-N 2.76Å; L317-I320 PolarHBondContact O-N 2.98Å; L317-I320 VanDerWaalsContact O-N 3.12Å; L317-Q321 HydrophobicContact CD1-CG 4.1Å; L317-Q321 HydrophobicContact CG-CG 4.15Å; L317-Q321 WeakPolarHBondContact O-CG 3.04Å; L317-Q321 PolarHBondContact O-N 2.87Å
318E87.5Confident79.8Confident118 Ų11866 Ų6655%0.55135%0.345SS*.Hα-helixtrans-54.8-44.9177.7-73.3177.8-178.500112.5G314 K315 Q321 A322G314-E318 PolarHBondContact O-N 3.19Å; K315-E318 PolarHBondContact O-N 3.39Å; E318-Q321 PolarHBondContact O-N 2.98Å; E318-A322 WeakPolarHBondContact O-CB 3.33Å; E318-A322 PolarHBondContact O-N 2.82Å
319A89.3Confident82Confident49 Ų4963.3 Ų63.341%0.40533%0.331SS..Hα-helixtrans-63.2-43176.400000112.3K315 N316 L317 Q321 A322 N323K315-A319 PolarHBondContact O-N 2.95Å; K315-A319 VanDerWaalsContact O-N 3.09Å; N316-A319 PolarHBondContact O-N 3.35Å; L317-A319 VanDerWaalsContact C-N 3.3Å; L317-A319 PolarHBondContact O-N 2.76Å; A319-Q321 VanDerWaalsContact C-N 3.34Å; A319-A322 PolarHBondContact O-N 3.39Å; A319-N323 WeakPolarHBondContact O-CB 3.36Å; A319-N323 VanDerWaalsContact O-CG 3.25Å; A319-N323 PolarHBondContact O-N 2.91Å; A319-N323 PolarHBondContact O-ND2 2.92Å
320I90.7Very high83.9Confident45 Ų4563.9 Ų63.923%0.23133%0.327CS..Hα-helixtrans-63.9-41.1176.3-66.8165.5000110.8Y278 L298 N316 L317 N323 I324Y278-I320 HydrophobicContact CD2-CG2 4.02Å; Y278-I320 HydrophobicContact CE2-CG2 3.8Å; L298-I320 HydrophobicContact CD1-CG2 4.09Å; L298-I320 HydrophobicContact CD2-CB 4.45Å; L298-I320 HydrophobicContact CD2-CD1 3.56Å; L298-I320 HydrophobicContact CD2-CG2 4.01Å; L298-I320 HydrophobicContact CG-CG2 4.4Å; N316-I320 WeakPolarHBondContact O-CB 3.24Å; N316-I320 WeakPolarHBondContact O-CD1 3.07Å; N316-I320 WeakPolarHBondContact O-CG1 3.33Å; N316-I320 PolarHBondContact O-N 3.05Å; N316-I320 WeakPolarHBondContact OD1-CD1 3.29Å; L317-I320 PolarHBondContact O-N 2.98Å; L317-I320 VanDerWaalsContact O-N 3.12Å; I320-N323 PolarHBondContact O-N 3.36Å; I320-I324 PolarHBondContact O-N 3.3Å
321Q92.9Very high85.7Confident7 Ų758 Ų583%0.03330%0.297CS..Hα-helixtrans-64-43.6176.7-63.3-64.916.900111.7I277 Y278 L317 E318 A319 N323 I324 A325 A363I277-Q321 VanDerWaalsContact CB-OE1 3.26Å; Y278-Q321 PolarHBondContact O-NE2 2.8Å; L317-Q321 HydrophobicContact CD1-CG 4.1Å; L317-Q321 HydrophobicContact CG-CG 4.15Å; L317-Q321 WeakPolarHBondContact O-CG 3.04Å; L317-Q321 PolarHBondContact O-N 2.87Å; E318-Q321 PolarHBondContact O-N 2.98Å; A319-Q321 VanDerWaalsContact C-N 3.34Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 2.98Å; Q321-I324 WeakPolarHBondContact O-CG2 3.42Å; Q321-A325 VanDerWaalsContact O-CB 3.26Å; Q321-A325 WeakPolarHBondContact O-CB 3.28Å; Q321-A325 PolarHBondContact O-N 3.02Å; Q321-A363 HydrophobicContact CB-CB 4.07Å
322A93.5Very high87.5Confident11 Ų1151.8 Ų51.89%0.09126%0.264CS..Hα-helixtrans-63.1-39.4176.300000111.8E318 A319 R326 P366E318-A322 WeakPolarHBondContact O-CB 3.33Å; E318-A322 PolarHBondContact O-N 2.82Å; A319-A322 PolarHBondContact O-N 3.39Å; A322-R326 WeakPolarHBondContact O-CB 3.18Å; A322-R326 PolarHBondContact O-N 3.43Å; A322-P366 HydrophobicContact CB-CG 4.39Å
323N94.3Very high89.3Confident90 Ų9048.1 Ų48.148%0.48125%0.247SC..Hα-helixtrans-65.9-46.9178.1-73.5-18.5000112.5A319 I320 Q321 A325 R326 Q327A319-N323 WeakPolarHBondContact O-CB 3.36Å; A319-N323 VanDerWaalsContact O-CG 3.25Å; A319-N323 PolarHBondContact O-N 2.91Å; A319-N323 PolarHBondContact O-ND2 2.92Å; I320-N323 PolarHBondContact O-N 3.36Å; Q321-N323 VanDerWaalsContact C-N 3.32Å; Q321-N323 PolarHBondContact O-N 2.98Å; N323-A325 VanDerWaalsContact C-N 3.35Å; N323-R326 WeakPolarHBondContact O-CB 3.3Å; N323-R326 PolarHBondContact O-N 2.8Å; N323-R326 PolarHBondContact OD1-NH1 3.18Å; N323-Q327 PolarHBondContact O-N 2.9Å
324I94.2Very high90.9Very high5 Ų551.4 Ų51.43%0.02626%0.257CS..Hα-helixtrans-69.7-34.6179.7-161.161.1000111.9I243 Y278 I320 Q321 Q327 H328I243-I324 HydrophobicContact CD1-CG1 3.87Å; I243-I324 HydrophobicContact CG1-CG1 4.11Å; I243-I324 HydrophobicContact CG2-CB 4.46Å; I243-I324 HydrophobicContact CG2-CG1 3.64Å; I243-I324 HydrophobicContact CG2-CG2 3.92Å; Y278-I324 HydrophobicContact CD2-CB 4.36Å; Y278-I324 HydrophobicContact CD2-CG2 3.78Å; Y278-I324 HydrophobicContact CE2-CB 3.69Å; Y278-I324 HydrophobicContact CE2-CD1 4.49Å; Y278-I324 HydrophobicContact CE2-CG1 3.81Å; Y278-I324 HydrophobicContact CE2-CG2 3.64Å; I320-I324 PolarHBondContact O-N 3.3Å; Q321-I324 WeakPolarHBondContact O-CG2 3.42Å; I324-Q327 PolarHBondContact O-N 3.23Å; I324-H328 WeakPolarHBondContact O-CB 3.32Å; I324-H328 PolarHBondContact O-N 2.75Å
325A95.7Very high92.3Very high0 Ų054.5 Ų54.50%027%0.266CS..Hα-helixtrans-62.9-44.1172.500000111Q321 N323 Q327 H328 F329 A363Q321-A325 VanDerWaalsContact O-CB 3.26Å; Q321-A325 WeakPolarHBondContact O-CB 3.28Å; Q321-A325 PolarHBondContact O-N 3.02Å; N323-A325 VanDerWaalsContact C-N 3.35Å; A325-Q327 PolarHBondContact O-N 3.3Å; A325-H328 WeakPolarHBondContact O-CB 3.42Å; A325-H328 PolarHBondContact O-N 2.73Å; A325-F329 WeakPolarHBondContact O-CD2 3.42Å; A325-F329 PolarHBondContact O-N 3.16Å; A325-A363 HydrophobicContact CB-CB 4.06Å
326R96.6Very high93.6Very high106 Ų10650.2 Ų50.240%0.425%0.246SC..Hα-helixtrans-58.6-47.1174.9-171.7-177.9-60.3103.31.4111.9A322 N323 H328 F329 H330 L367A322-R326 WeakPolarHBondContact O-CB 3.18Å; A322-R326 PolarHBondContact O-N 3.43Å; N323-R326 WeakPolarHBondContact O-CB 3.3Å; N323-R326 PolarHBondContact O-N 2.8Å; N323-R326 PolarHBondContact OD1-NH1 3.18Å; R326-H328 PolarHBondContact O-N 2.72Å; R326-F329 PolarHBondContact O-N 2.85Å; R326-H330 VanDerWaalsContact O-CB 3.29Å; R326-H330 WeakPolarHBondContact O-CB 3.35Å; R326-H330 PolarHBondContact O-N 2.86Å; R326-L367 HydrophobicContact CB-CD2 3.72Å; R326-L367 HydrophobicContact CG-CD2 3.79Å
327Q96.4Very high94.2Very high84 Ų8449.2 Ų49.239%0.39325%0.252SS..Hα-helixtrans-59-46.7176.7-179.6179.3-18.600111.4E246 N323 I324 A325 F329 H330 S331E246-Q327 VanDerWaalsContact C-NE2 3.29Å; E246-Q327 PolarHBondContact O-NE2 3.49Å; E246-Q327 VanDerWaalsContact O-NE2 3.07Å; N323-Q327 PolarHBondContact O-N 2.9Å; I324-Q327 PolarHBondContact O-N 3.23Å; A325-Q327 PolarHBondContact O-N 3.3Å; Q327-F329 PolarHBondContact O-N 3.05Å; Q327-H330 PolarHBondContact O-N 2.49Å; Q327-S331 PolarHBondContact O-N 3.06Å; Q327-S331 PolarHBondContact O-OG 3.35Å
328H96.6Very high94.7Very high10 Ų1048.4 Ų48.45%0.04625%0.247CC..Hα-helixtrans-55.7-52.1177.2-177.763000112.5I243 G247 C249 P276 I324 A325 R326 S331 L332 R427I243-H328 HydrophobicContact CD1-CB 3.66Å; G247-H328 PolarHBondContact O-ND1 2.8Å; C249-H328 PolarHBondContact SG-CE1 2.9Å; P276-H328 HydrophobicContact CB-CB 4.2Å; P276-H328 WeakPolarHBondContact CB-CD2 3.44Å; I324-H328 WeakPolarHBondContact O-CB 3.32Å; I324-H328 PolarHBondContact O-N 2.75Å; A325-H328 WeakPolarHBondContact O-CB 3.42Å; A325-H328 PolarHBondContact O-N 2.73Å; R326-H328 PolarHBondContact O-N 2.72Å; H328-S331 PolarHBondContact O-N 3.1Å; H328-L332 WeakPolarHBondContact O-CG 3.27Å; H328-L332 PolarHBondContact O-N 2.71Å; H328-R427 PolarHBondContact NE2-NE 3.35Å; H328-R427 VanDerWaalsContact NE2-NE 3.11Å; H328-R427 PolarHBondContact NE2-NH2 3.26Å
329F97.7Very high95.1Very high2 Ų243.7 Ų43.71%0.00923%0.23CC..Hα-helixtrans-70.8-34.9-176.9-73.8-64.9000112.2P276 A325 R326 Q327 S331 L332 I333 Q341 I343 Y360 V364 L367 V372P276-F329 HydrophobicContact CG-CE2 3.93Å; P276-F329 HydrophobicContact CG-CZ 3.95Å; A325-F329 WeakPolarHBondContact O-CD2 3.42Å; A325-F329 PolarHBondContact O-N 3.16Å; R326-F329 PolarHBondContact O-N 2.85Å; Q327-F329 PolarHBondContact O-N 3.05Å; F329-S331 VanDerWaalsContact C-N 3.32Å; F329-S331 PolarHBondContact O-N 3.35Å; F329-L332 HydrophobicContact CD1-CD1 4.12Å; F329-L332 HydrophobicContact CE1-CD1 4.29Å; F329-L332 PolarHBondContact O-N 2.93Å; F329-I333 HydrophobicContact CB-CD1 4.42Å; F329-I333 WeakPolarHBondContact O-CB 3.48Å; F329-I333 WeakPolarHBondContact O-CD1 2.75Å; F329-I333 WeakPolarHBondContact O-CG1 3.37Å; F329-I333 PolarHBondContact O-N 3.23Å; F329-Q341 HydrophobicContact CD1-CB 4.05Å; F329-Q341 HydrophobicContact CD1-CG 4Å; F329-Q341 HydrophobicContact CE1-CB 4.24Å; F329-Q341 HydrophobicContact CE1-CG 4.5Å; F329-I343 HydrophobicContact CE1-CD1 3.85Å; F329-I343 HydrophobicContact CE1-CG1 3.85Å; F329-I343 HydrophobicContact CE2-CD1 3.87Å; F329-I343 HydrophobicContact CZ-CD1 3.3Å; F329-I343 HydrophobicContact CZ-CG1 3.71Å; F329-Y360 HydrophobicContact CE2-CE2 4.35Å; F329-Y360 HydrophobicContact CZ-CE2 4.43Å; F329-V364 HydrophobicContact CE2-CG2 3.97Å; F329-L367 HydrophobicContact CB-CD1 4.33Å; F329-L367 HydrophobicContact CD2-CD1 3.49Å; F329-L367 VanDerWaalsContact CD2-CD1 3.49Å; F329-L367 HydrophobicContact CE2-CD1 4.2Å; F329-L367 HydrophobicContact CG-CD1 4.18Å; F329-V372 HydrophobicContact CB-CG2 3.93Å; F329-V372 HydrophobicContact CD1-CG1 4.35Å; F329-V372 HydrophobicContact CD1-CG2 4.23Å; F329-V372 HydrophobicContact CD2-CG1 4.47Å; F329-V372 HydrophobicContact CE1-CG1 4.4Å; F329-V372 HydrophobicContact CG-CG1 4.41Å; F329-V372 HydrophobicContact CG-CG2 4.01Å
330H97.4Very high95.5Very high95 Ų9542.8 Ų42.844%0.4422%0.216SC..Hα-helixtrans-56-48.1170.9-177.9-78.3000110.9R326 Q327 L332 I333 Y334 D335R326-H330 VanDerWaalsContact O-CB 3.29Å; R326-H330 WeakPolarHBondContact O-CB 3.35Å; R326-H330 PolarHBondContact O-N 2.86Å; Q327-H330 PolarHBondContact O-N 2.49Å; H330-L332 PolarHBondContact O-N 3.04Å; H330-I333 PolarHBondContact O-N 3.27Å; H330-Y334 AromaticContact CD2-CD2 3.53Å; H330-Y334 AromaticContact CG-CD2 3.93Å; H330-Y334 AromaticContact NE2-CD2 3.69Å; H330-Y334 WeakPolarHBondContact O-CB 3.04Å; H330-Y334 PolarHBondContact O-N 2.72Å; H330-D335 IonicContact CE1-OD1 3.21Å; H330-D335 IonicContact ND1-OD1 2.68Å
331S96.8Very high95.9Very high19 Ų1940.7 Ų40.713%0.13321%0.205CC..Iπ-helixtrans-65.1-38178.1-64.90000113.4Q327 H328 F329 D335 Y336Q327-S331 PolarHBondContact O-N 3.06Å; Q327-S331 PolarHBondContact O-OG 3.35Å; H328-S331 PolarHBondContact O-N 3.1Å; F329-S331 VanDerWaalsContact C-N 3.32Å; F329-S331 PolarHBondContact O-N 3.35Å; S331-D335 WeakPolarHBondContact CA-OD2 3.23Å; S331-D335 VanDerWaalsContact CB-OD2 3.25Å; S331-D335 WeakPolarHBondContact CB-OD2 3.45Å; S331-D335 WeakPolarHBondContact O-CB 3.47Å; S331-D335 PolarHBondContact O-N 2.5Å; S331-D335 PolarHBondContact OG-OD2 3.5Å; S331-Y336 WeakPolarHBondContact O-CB 3.44Å; S331-Y336 VanDerWaalsContact O-CD2 3.23Å; S331-Y336 WeakPolarHBondContact O-CD2 3.02Å; S331-Y336 PolarHBondContact O-N 3.46Å
332L96.8Very high96.1Very high9 Ų940.3 Ų40.35%0.04720%0.203CC..Iπ-helixtrans-62.5-47.1173.6-67.4-174.5000112L271 H328 F329 H330 Y336 Y338 Q341L271-L332 HydrophobicContact CD1-CD1 4.15Å; L271-L332 HydrophobicContact CD1-CD2 3.99Å; H328-L332 WeakPolarHBondContact O-CG 3.27Å; H328-L332 PolarHBondContact O-N 2.71Å; F329-L332 HydrophobicContact CD1-CD1 4.12Å; F329-L332 HydrophobicContact CE1-CD1 4.29Å; F329-L332 PolarHBondContact O-N 2.93Å; H330-L332 PolarHBondContact O-N 3.04Å; L332-Y336 HydrophobicContact CD2-CD2 4.04Å; L332-Y338 HydrophobicContact CB-CD2 4.21Å; L332-Y338 HydrophobicContact CD2-CD2 3.94Å; L332-Y338 HydrophobicContact CD2-CE2 3.91Å; L332-Y338 WeakPolarHBondContact O-CB 3.41Å; L332-Y338 VanDerWaalsContact O-CD2 3.28Å; L332-Y338 WeakPolarHBondContact O-CD2 3.49Å; L332-Y338 PolarHBondContact O-N 3.36Å; L332-Q341 HydrophobicContact CB-CG 4.24Å; L332-Q341 HydrophobicContact CD1-CG 4.41Å
333I97.1Very high96.2Very high16 Ų1639.8 Ų39.88%0.08220%0.199CC..Iπ-helixtrans-70.8-53.4-174.1-65.2159.8000110.5F329 H330 G339 Q341 E371 V372F329-I333 HydrophobicContact CB-CD1 4.42Å; F329-I333 WeakPolarHBondContact O-CB 3.48Å; F329-I333 WeakPolarHBondContact O-CD1 2.75Å; F329-I333 WeakPolarHBondContact O-CG1 3.37Å; F329-I333 PolarHBondContact O-N 3.23Å; H330-I333 PolarHBondContact O-N 3.27Å; I333-G339 WeakPolarHBondContact CG1-O 3.36Å; I333-G339 PolarHBondContact O-N 2.96Å; I333-Q341 HydrophobicContact CG1-CG 3.94Å; I333-E371 HydrophobicContact CD1-CB 3.89Å; I333-V372 HydrophobicContact CD1-CG2 3.98Å
334Y96.2Very high96.3Very high126 Ų12635.6 Ų35.649%0.49418%0.176SC..Iπ-helixtrans-100.4-51.4-165.2-63.4-67.4000112.8H330 E371H330-Y334 AromaticContact CD2-CD2 3.53Å; H330-Y334 AromaticContact CG-CD2 3.93Å; H330-Y334 AromaticContact NE2-CD2 3.69Å; H330-Y334 WeakPolarHBondContact O-CB 3.04Å; H330-Y334 PolarHBondContact O-N 2.72Å; Y334-E371 PolarHBondContact OH-OE1 2.89Å
335D94.8Very high96.2Very high97 Ų9735.4 Ų35.452%0.51918%0.175SC..Iπ-helixtrans-71.5-38.3-173.9-53.7-21.8000111.4H330 S331H330-D335 IonicContact CE1-OD1 3.21Å; H330-D335 IonicContact ND1-OD1 2.68Å; S331-D335 WeakPolarHBondContact CA-OD2 3.23Å; S331-D335 VanDerWaalsContact CB-OD2 3.25Å; S331-D335 WeakPolarHBondContact CB-OD2 3.45Å; S331-D335 WeakPolarHBondContact O-CB 3.47Å; S331-D335 PolarHBondContact O-N 2.5Å; S331-D335 PolarHBondContact OG-OD2 3.5Å
336Y93.9Very high95.9Very high67 Ų6735.4 Ų35.426%0.26318%0.175SC..SBendtrans-102.3-4.7-176.9-56-34.8000114.6R141 R161 S331 L332 Y338R141-Y336 PolarHBondContact NE-O 3.37Å; R141-Y336 PolarHBondContact NH2-O 3.27Å; R161-Y336 VanDerWaalsContact NH1-CD1 3.3Å; S331-Y336 WeakPolarHBondContact O-CB 3.44Å; S331-Y336 VanDerWaalsContact O-CD2 3.23Å; S331-Y336 WeakPolarHBondContact O-CD2 3.02Å; S331-Y336 PolarHBondContact O-N 3.46Å; L332-Y336 HydrophobicContact CD2-CD2 4.04Å; Y336-Y338 VanDerWaalsContact C-N 3.33Å; Y336-Y338 HydrophobicContact CD2-CE2 4.12Å; Y336-Y338 HydrophobicContact CG-CE2 4.27Å; Y336-Y338 PolarHBondContact O-N 3.12Å
337G94Very high95.4Very high47 Ų4730.5 Ų30.549%0.48516%0.157SC..  trans64.429.4174.200000114.8G339G337-G339 PolarHBondContact O-N 2.75Å
338Y96.6Very high94.6Very high14 Ų1427.7 Ų27.76%0.05515%0.145CC..  trans-75.3-15.5173.4-65.5-68.7000112.7R141 R161 E254 V269 L271 L332 Y336 G424 T425R141-Y338 PolarHBondContact NH2-OH 3.22Å; R161-Y338 PolarHBondContact NH1-OH 3.44Å; E254-Y338 HydrophobicContact CG-CE1 4.28Å; E254-Y338 WeakPolarHBondContact OE2-CE1 3.18Å; E254-Y338 PolarHBondContact OE2-OH 3.26Å; V269-Y338 HydrophobicContact CG1-CD1 4.44Å; V269-Y338 HydrophobicContact CG1-CE1 4.11Å; L271-Y338 HydrophobicContact CD1-CD1 4.2Å; L271-Y338 HydrophobicContact CD1-CD2 3.83Å; L271-Y338 HydrophobicContact CD1-CE1 4.24Å; L271-Y338 HydrophobicContact CD1-CE2 3.9Å; L271-Y338 HydrophobicContact CD1-CG 3.99Å; L271-Y338 HydrophobicContact CD2-CD1 4.4Å; L271-Y338 HydrophobicContact CD2-CE1 3.74Å; L271-Y338 HydrophobicContact CD2-CE2 4.26Å; L271-Y338 HydrophobicContact CG-CE1 4.33Å; L332-Y338 HydrophobicContact CB-CD2 4.21Å; L332-Y338 HydrophobicContact CD2-CD2 3.94Å; L332-Y338 HydrophobicContact CD2-CE2 3.91Å; L332-Y338 WeakPolarHBondContact O-CB 3.41Å; L332-Y338 VanDerWaalsContact O-CD2 3.28Å; L332-Y338 WeakPolarHBondContact O-CD2 3.49Å; L332-Y338 PolarHBondContact O-N 3.36Å; Y336-Y338 VanDerWaalsContact C-N 3.33Å; Y336-Y338 HydrophobicContact CD2-CE2 4.12Å; Y336-Y338 HydrophobicContact CG-CE2 4.27Å; Y336-Y338 PolarHBondContact O-N 3.12Å; Y338-G424 WeakPolarHBondContact O-CA 3.32Å; Y338-T425 HydrophobicContact CD1-CG2 3.89Å; Y338-T425 HydrophobicContact CG-CG2 4.36Å
339G96.4Very high93.7Very high19 Ų1930.6 Ų30.620%0.19616%0.158CC..  trans67.1-152.5-17500000111.9I333 G337 Q341 T423I333-G339 WeakPolarHBondContact CG1-O 3.36Å; I333-G339 PolarHBondContact O-N 2.96Å; G337-G339 PolarHBondContact O-N 2.75Å; G339-Q341 PolarHBondContact O-NE2 3.39Å; G339-T423 WeakPolarHBondContact CA-O 3.37Å
340R97.5Very high92.7Very high30 Ų3038 Ų3811%0.11319%0.191CC..EExtended strand (participates in β ladder)trans-54138-173.3-175.8174.6-176.7-10510.5112.2E369 K370 E371 E401 T423 G424 T425R340-E369 PolarHBondContact NH2-O 2.92Å; R340-K370 WeakPolarHBondContact CD-O 3.32Å; R340-K370 WeakPolarHBondContact CG-O 3.46Å; R340-K370 PolarHBondContact NE-O 3.47Å; R340-E371 CarbonylContact C-O 3.56Å; R340-E371 WeakPolarHBondContact CA-O 3.38Å; R340-E371 VanDerWaalsContact CG-O 3.31Å; R340-E371 WeakPolarHBondContact CG-O 3.4Å; R340-E401 IonicContact CZ-OE2 2.89Å; R340-E401 IonicContact NH1-OE2 2.65Å; R340-E401 PolarHBondContact NH1-OE2 3.33Å; R340-E401 IonicContact NH2-OE2 3.18Å; R340-T423 PolarHBondContact N-O 3.36Å; R340-G424 CarbonylContact O-C 3.58Å; R340-G424 WeakPolarHBondContact O-CA 3.24Å; R340-T425 PolarHBondContact O-N 2.92Å
341Q97.9Very high91.8Very high0 Ų036.4 Ų36.40%020%0.2CC..EExtended strand (participates in β ladder)trans-107.2118.8-178.5-62.5-59.7-61.600111.4F329 L332 I333 G339 E371 V372 K373 T425F329-Q341 HydrophobicContact CD1-CB 4.05Å; F329-Q341 HydrophobicContact CD1-CG 4Å; F329-Q341 HydrophobicContact CE1-CB 4.24Å; F329-Q341 HydrophobicContact CE1-CG 4.5Å; L332-Q341 HydrophobicContact CB-CG 4.24Å; L332-Q341 HydrophobicContact CD1-CG 4.41Å; I333-Q341 HydrophobicContact CG1-CG 3.94Å; G339-Q341 PolarHBondContact O-NE2 3.39Å; Q341-E371 PolarHBondContact N-O 2.86Å; Q341-V372 HydrophobicContact CB-CG2 4.48Å; Q341-V372 CarbonylContact O-C 3.44Å; Q341-V372 VanDerWaalsContact O-CA 3.31Å; Q341-V372 WeakPolarHBondContact O-CA 3.3Å; Q341-K373 PolarHBondContact O-N 2.9Å; Q341-T425 PolarHBondContact NE2-OG1 3.4Å; Q341-T425 PolarHBondContact OE1-OG1 3.16Å
342T97.7Very high90.8Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-99.5102.6168.5-57.30000108.7L398 E401 T425 F426 R427T342-L398 HydrophobicContact CG2-CD2 4.17Å; T342-E401 HydrophobicContact CG2-CG 4.42Å; T342-T425 PolarHBondContact N-O 3.43Å; T342-F426 HydrophobicContact CG2-CD1 3.73Å; T342-F426 HydrophobicContact CG2-CE1 3.77Å; T342-F426 CarbonylContact O-C 3.56Å; T342-F426 WeakPolarHBondContact O-CA 3.48Å; T342-R427 PolarHBondContact O-N 3.09Å
343I96.7Very high90.1Very high0 Ų038.3 Ų38.30%021%0.207CC..EExtended strand (participates in β ladder)trans-75.5127.7178.3-59.7163.4000109F329 N345 Y360 V364 V372 K373 Y374 E375 R427F329-I343 HydrophobicContact CE1-CD1 3.85Å; F329-I343 HydrophobicContact CE1-CG1 3.85Å; F329-I343 HydrophobicContact CE2-CD1 3.87Å; F329-I343 HydrophobicContact CZ-CD1 3.3Å; F329-I343 HydrophobicContact CZ-CG1 3.71Å; I343-N345 HydrophobicContact CG2-CB 4.49Å; I343-Y360 HydrophobicContact CD1-CE2 4.49Å; I343-Y360 HydrophobicContact CG2-CE1 3.71Å; I343-Y360 VanDerWaalsContact CG2-OH 3.26Å; I343-Y360 WeakPolarHBondContact CG2-OH 3.19Å; I343-V364 HydrophobicContact CD1-CG1 3.84Å; I343-V364 HydrophobicContact CD1-CG2 3.93Å; I343-V372 HydrophobicContact CD1-CG1 3.39Å; I343-V372 HydrophobicContact CG1-CG1 4.08Å; I343-K373 WeakPolarHBondContact CB-O 3.36Å; I343-K373 PolarHBondContact N-O 3.3Å; I343-Y374 HydrophobicContact CB-CD2 4.21Å; I343-Y374 HydrophobicContact CD1-CD2 4.17Å; I343-Y374 HydrophobicContact CG2-CD2 3.86Å; I343-Y374 HydrophobicContact CG2-CE2 4.21Å; I343-E375 WeakPolarHBondContact O-CB 3.44Å; I343-E375 PolarHBondContact O-N 2.72Å; I343-R427 WeakPolarHBondContact CA-O 3.48Å
344I95Very high89.6Confident1 Ų145.1 Ų45.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-112.497171.5-50.4169000107.6L346 L394 L398 F426 R427 S428 N429 V440 L444I344-L346 HydrophobicContact CG2-CD2 3.63Å; I344-L346 HydrophobicContact CG2-CG 4.07Å; I344-L346 PolarHBondContact O-N 3.02Å; I344-L394 HydrophobicContact CG2-CD2 4.47Å; I344-L398 HydrophobicContact CD1-CD1 3.65Å; I344-L398 HydrophobicContact CD1-CD2 4.22Å; I344-L398 HydrophobicContact CG1-CD1 4.2Å; I344-L398 HydrophobicContact CG1-CD2 4.04Å; I344-F426 HydrophobicContact CD1-CB 4.04Å; I344-F426 HydrophobicContact CD1-CD1 3.85Å; I344-F426 HydrophobicContact CD1-CG 4.33Å; I344-F426 HydrophobicContact CG1-CD1 4.32Å; I344-R427 PolarHBondContact N-O 2.82Å; I344-S428 WeakPolarHBondContact O-CA 3.4Å; I344-N429 PolarHBondContact O-N 3.21Å; I344-V440 HydrophobicContact CD1-CG1 3.95Å; I344-V440 HydrophobicContact CG2-CG1 4.35Å; I344-L444 HydrophobicContact CD1-CD1 3.69Å
345N92.9Very high89.2Confident1 Ų144.1 Ų44.11%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-88.8107178.6-175.217.7000111I343 L347 Y360 Y374 E375 F377I343-N345 HydrophobicContact CG2-CB 4.49Å; N345-L347 WeakPolarHBondContact OD1-CB 3.21Å; N345-L347 WeakPolarHBondContact OD1-CD1 3.45Å; N345-L347 WeakPolarHBondContact OD1-CG 3.45Å; N345-L347 PolarHBondContact OD1-N 2.85Å; N345-Y360 HydrophobicContact CB-CD1 4.45Å; N345-Y360 HydrophobicContact CB-CE1 4.38Å; N345-Y374 HydrophobicContact CB-CE2 3.88Å; N345-Y374 PolarHBondContact ND2-OH 3.05Å; N345-E375 PolarHBondContact N-O 3.4Å; N345-F377 PolarHBondContact O-N 3.42Å
346L89.3Confident89Confident0 Ų039.5 Ų39.50%021%0.21CC..  trans-9715.9-178.1-54.8177.8000113.3I344 F377 F379 L394 N429 R436 T437 V440I344-L346 HydrophobicContact CG2-CD2 3.63Å; I344-L346 HydrophobicContact CG2-CG 4.07Å; I344-L346 PolarHBondContact O-N 3.02Å; L346-F377 HydrophobicContact CD2-CB 4.2Å; L346-F377 HydrophobicContact CD2-CD1 4.29Å; L346-F379 HydrophobicContact CD2-CD2 4.43Å; L346-L394 HydrophobicContact CD2-CD2 4.41Å; L346-N429 WeakPolarHBondContact CB-O 3.46Å; L346-N429 PolarHBondContact N-O 3.25Å; L346-R436 HydrophobicContact CD1-CB 4Å; L346-R436 PolarHBondContact O-NH1 3.25Å; L346-T437 HydrophobicContact CD1-CG2 4.23Å; L346-V440 HydrophobicContact CD1-CB 4.36Å; L346-V440 HydrophobicContact CD1-CG2 3.81Å; L346-V440 HydrophobicContact CD2-CG2 4.18Å
347L85.5Confident88.9Confident3 Ų336.9 Ų36.92%0.01620%0.203CC..  trans-65.3145.9177.3-72174.2000112V275 N345 Q349 E353 L356 I431V275-L347 HydrophobicContact CG2-CD1 4Å; N345-L347 WeakPolarHBondContact OD1-CB 3.21Å; N345-L347 WeakPolarHBondContact OD1-CD1 3.45Å; N345-L347 WeakPolarHBondContact OD1-CG 3.45Å; N345-L347 PolarHBondContact OD1-N 2.85Å; L347-Q349 PolarHBondContact O-N 3.27Å; L347-E353 HydrophobicContact CB-CB 4.4Å; L347-E353 HydrophobicContact CD2-CB 4.3Å; L347-E353 HydrophobicContact CD2-CG 4.2Å; L347-L356 HydrophobicContact CD1-CB 4.32Å; L347-L356 HydrophobicContact CD1-CD2 4.06Å; L347-L356 HydrophobicContact CD1-CG 3.96Å; L347-L356 HydrophobicContact CD2-CD2 4.26Å; L347-I431 HydrophobicContact CD2-CB 3.65Å; L347-I431 HydrophobicContact CD2-CG2 4.39Å
348D79.1Confident88.8Confident25 Ų2540.1 Ų40.113%0.13421%0.206CC..  trans-66.9133.7176.3-63.4-13.7000110.8K350 E353 R354 H380 R436D348-K350 PolarHBondContact O-N 3.22Å; D348-E353 HydrophobicContact CB-CB 4.04Å; D348-E353 PolarHBondContact N-OE2 2.67Å; D348-E353 CarbonylContact O-C 3.6Å; D348-E353 WeakPolarHBondContact O-CB 3.45Å; D348-R354 PolarHBondContact O-N 3.05Å; D348-H380 VanDerWaalsContact CG-ND1 3.31Å; D348-H380 IonicContact OD1-CE1 3.2Å; D348-H380 IonicContact OD1-CG 3.06Å; D348-H380 IonicContact OD1-ND1 2.89Å; D348-H380 PolarHBondContact OD1-ND1 2.76Å; D348-H380 IonicContact OD2-CE1 2.63Å; D348-H380 IonicContact OD2-CG 3.64Å; D348-H380 IonicContact OD2-ND1 3.5Å; D348-H380 PolarHBondContact OD2-ND1 2.97Å; D348-R436 IonicContact OD1-CZ 2.65Å; D348-R436 IonicContact OD1-NH1 3.89Å; D348-R436 PolarHBondContact OD1-NH1 2.82Å
349Q78.4Confident88.6Confident71 Ų7140.3 Ų40.333%0.33221%0.21SC..SBendtrans-78.8-0.7177.4-62.5-179.3-7.800112.6L347 R354 D378L347-Q349 PolarHBondContact O-N 3.27Å; Q349-R354 WeakPolarHBondContact O-CD 3.44Å; Q349-D378 HydrophobicContact CB-CB 4.38Å; Q349-D378 WeakPolarHBondContact CB-OD2 3.3Å; Q349-D378 HydrophobicContact CG-CB 3.8Å
350K77.2Confident88.5Confident158 Ų15839.4 Ų39.469%0.68720%0.201SC*.SBendtrans-121.3157177.1-64.8-174.2-178.4-178.30111D348D348-K350 PolarHBondContact O-N 3.22Å
351G78.6Confident88.3Confident61 Ų6139 Ų3963%0.62920%0.204SC*.THydrogen-bonded Turntrans68.8-149.4177.400000113.1E353 R354G351-E353 VanDerWaalsContact C-N 3.28Å; G351-E353 PolarHBondContact O-N 3.06Å; G351-R354 WeakPolarHBondContact O-CB 3.5Å; G351-R354 PolarHBondContact O-N 3.37Å
352M74.4Confident88.2Confident64 Ų6442.4 Ų42.432%0.31522%0.221SC..THydrogen-bonded Turntrans-71.6-19-169.4-57.1-151.1-58.200114.5K288 P289 A290 V291 R354K288-M352 HydrophobicContact CB-CE 4.08Å; K288-M352 HydrophobicContact CD-CE 4.09Å; K288-M352 HydrophobicContact CG-CE 3.67Å; K288-M352 WeakPolarHBondContact O-CE 3.37Å; P289-M352 WeakPolarHBondContact O-CE 3.36Å; A290-M352 HydrophobicContact CB-SD 4.3Å; V291-M352 HydrophobicContact CG2-CB 4.49Å; M352-R354 VanDerWaalsContact C-N 3.33Å
353E83.6Confident88Confident4 Ų442.5 Ų42.52%0.01922%0.221CC..Hα-helixtrans-76.8-22.5177.8-72.7171.1-135.300112.1K288 L347 D348 G351 N355 L356 G357 I431 R436K288-E353 IonicContact NZ-OE1 3.17Å; K288-E353 PolarHBondContact NZ-OE1 3.47Å; L347-E353 HydrophobicContact CB-CB 4.4Å; L347-E353 HydrophobicContact CD2-CB 4.3Å; L347-E353 HydrophobicContact CD2-CG 4.2Å; D348-E353 HydrophobicContact CB-CB 4.04Å; D348-E353 PolarHBondContact N-OE2 2.67Å; D348-E353 CarbonylContact O-C 3.6Å; D348-E353 WeakPolarHBondContact O-CB 3.45Å; G351-E353 VanDerWaalsContact C-N 3.28Å; G351-E353 PolarHBondContact O-N 3.06Å; E353-N355 PolarHBondContact O-N 3.11Å; E353-L356 WeakPolarHBondContact O-CB 3.48Å; E353-L356 PolarHBondContact O-N 3.05Å; E353-G357 PolarHBondContact O-N 3.43Å; E353-I431 HydrophobicContact CG-CB 4.18Å; E353-I431 HydrophobicContact CG-CD1 3.75Å; E353-I431 HydrophobicContact CG-CG2 3.86Å; E353-I431 VanDerWaalsContact OE1-CG2 3.3Å; E353-I431 WeakPolarHBondContact OE1-CG2 3.36Å; E353-R436 IonicContact OE2-CZ 3.99Å; E353-R436 IonicContact OE2-NH1 3.86Å; E353-R436 IonicContact OE2-NH2 3.74Å; E353-R436 PolarHBondContact OE2-NH2 2.73Å; E353-R436 VanDerWaalsContact OE2-NH2 3.17Å
354R86.6Confident88Confident159 Ų15942.8 Ų42.860%0.622%0.223SC*.Hα-helixtrans-58.6-46.8-178.7-179.1-177.7168.4143.3-4.3112.3D348 Q349 G351 M352 L356 G357 H358D348-R354 PolarHBondContact O-N 3.05Å; Q349-R354 WeakPolarHBondContact O-CD 3.44Å; G351-R354 WeakPolarHBondContact O-CB 3.5Å; G351-R354 PolarHBondContact O-N 3.37Å; M352-R354 VanDerWaalsContact C-N 3.33Å; R354-L356 VanDerWaalsContact C-N 3.3Å; R354-L356 PolarHBondContact O-N 3.17Å; R354-G357 PolarHBondContact O-N 3.21Å; R354-H358 WeakPolarHBondContact O-CB 3.33Å; R354-H358 PolarHBondContact O-N 2.98Å
355N88.1Confident88Confident106 Ų10649 Ų4957%0.56726%0.256SS*.Hα-helixtrans-65.4-38-178-68.3-0.3000111E353 A359E353-N355 PolarHBondContact O-N 3.11Å; N355-A359 WeakPolarHBondContact O-CB 3.31Å; N355-A359 PolarHBondContact O-N 3Å
356L90.5Very high88.1Confident0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-65.8-45.3174.6-177.163.9000111.7V275 I277 W279 V291 L293 L347 E353 R354 A359 Y360 I431V275-L356 HydrophobicContact CB-CD1 4.47Å; V275-L356 HydrophobicContact CG1-CD1 4.39Å; V275-L356 HydrophobicContact CG2-CD2 4.01Å; V275-L356 HydrophobicContact CG2-CG 4.26Å; I277-L356 HydrophobicContact CD1-CD1 3.86Å; I277-L356 HydrophobicContact CG1-CD1 4.19Å; W279-L356 HydrophobicContact CB-CD1 3.88Å; W279-L356 HydrophobicContact CD2-CD1 3.85Å; W279-L356 HydrophobicContact CD2-CD2 4.03Å; W279-L356 HydrophobicContact CE3-CD1 4.45Å; W279-L356 HydrophobicContact CE3-CD2 4.12Å; W279-L356 HydrophobicContact CG-CD1 3.57Å; W279-L356 HydrophobicContact CH2-CD2 4.03Å; W279-L356 HydrophobicContact CZ2-CD2 3.99Å; W279-L356 HydrophobicContact CZ3-CD2 4.11Å; V291-L356 HydrophobicContact CG1-CB 4.17Å; V291-L356 HydrophobicContact CG1-CD1 4.34Å; V291-L356 HydrophobicContact CG1-CD2 4.37Å; L293-L356 HydrophobicContact CD2-CD1 3.97Å; L347-L356 HydrophobicContact CD1-CB 4.32Å; L347-L356 HydrophobicContact CD1-CD2 4.06Å; L347-L356 HydrophobicContact CD1-CG 3.96Å; L347-L356 HydrophobicContact CD2-CD2 4.26Å; E353-L356 WeakPolarHBondContact O-CB 3.48Å; E353-L356 PolarHBondContact O-N 3.05Å; R354-L356 VanDerWaalsContact C-N 3.3Å; R354-L356 PolarHBondContact O-N 3.17Å; L356-A359 PolarHBondContact O-N 3.04Å; L356-Y360 WeakPolarHBondContact O-CB 2.97Å; L356-Y360 PolarHBondContact O-N 2.8Å; L356-I431 HydrophobicContact CD2-CD1 4.26Å; L356-I431 HydrophobicContact CD2-CG1 4.43Å
357G91.4Very high88.3Confident11 Ų1153.7 Ų53.711%0.11329%0.285CS..Hα-helixtrans-63.4-40.1177.300000112.6E353 R354 Y360 A361E353-G357 PolarHBondContact O-N 3.43Å; R354-G357 PolarHBondContact O-N 3.21Å; G357-Y360 PolarHBondContact O-N 3.38Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 2.97Å
358H91.8Very high88.8Confident115 Ų11557.4 Ų57.453%0.53231%0.305SS..Hα-helixtrans-65.5-49.2175.6-176.185.3000111.5R354 Y360 A361 M362R354-H358 WeakPolarHBondContact O-CB 3.33Å; R354-H358 PolarHBondContact O-N 2.98Å; H358-Y360 PolarHBondContact O-N 2.8Å; H358-A361 PolarHBondContact O-N 3.23Å; H358-M362 WeakPolarHBondContact O-CG 3.31Å; H358-M362 PolarHBondContact O-N 3.48Å
359A91.8Very high89.5Confident18 Ų1863 Ų6315%0.14933%0.33CS..Hα-helixtrans-59.4-37.917700000111.9I277 L293 N355 L356 M362 A363I277-A359 HydrophobicContact CD1-CB 3.8Å; L293-A359 HydrophobicContact CD1-CB 3.79Å; L293-A359 HydrophobicContact CD2-CB 3.81Å; L293-A359 HydrophobicContact CG-CB 4.47Å; N355-A359 WeakPolarHBondContact O-CB 3.31Å; N355-A359 PolarHBondContact O-N 3Å; L356-A359 PolarHBondContact O-N 3.04Å; A359-M362 PolarHBondContact O-N 2.95Å; A359-A363 WeakPolarHBondContact O-CB 3.45Å; A359-A363 PolarHBondContact O-N 3.26Å
360Y94.4Very high90.2Very high0 Ų067.1 Ų67.10%035%0.347CS..Hα-helixtrans-66.2-46.2175.7-175.3-154.9000112.2V275 P276 I277 F329 I343 N345 L356 G357 H358 M362 A363 V364 Y374 N429V275-Y360 HydrophobicContact CG1-CD1 3.63Å; V275-Y360 HydrophobicContact CG1-CD2 3.83Å; V275-Y360 HydrophobicContact CG1-CE1 4.14Å; V275-Y360 HydrophobicContact CG1-CE2 4.35Å; V275-Y360 HydrophobicContact CG1-CG 3.43Å; V275-Y360 VanDerWaalsContact CG1-CG 3.43Å; P276-Y360 VanDerWaalsContact CD-CE2 3.42Å; P276-Y360 VanDerWaalsContact CD-CZ 3.46Å; P276-Y360 WeakPolarHBondContact CD-OH 3.35Å; P276-Y360 HydrophobicContact CG-CD2 4.23Å; P276-Y360 HydrophobicContact CG-CE2 3.35Å; I277-Y360 HydrophobicContact CG2-CD2 4.11Å; F329-Y360 HydrophobicContact CE2-CE2 4.35Å; F329-Y360 HydrophobicContact CZ-CE2 4.43Å; I343-Y360 HydrophobicContact CD1-CE2 4.49Å; I343-Y360 HydrophobicContact CG2-CE1 3.71Å; I343-Y360 VanDerWaalsContact CG2-OH 3.26Å; I343-Y360 WeakPolarHBondContact CG2-OH 3.19Å; N345-Y360 HydrophobicContact CB-CD1 4.45Å; N345-Y360 HydrophobicContact CB-CE1 4.38Å; L356-Y360 WeakPolarHBondContact O-CB 2.97Å; L356-Y360 PolarHBondContact O-N 2.8Å; G357-Y360 PolarHBondContact O-N 3.38Å; H358-Y360 PolarHBondContact O-N 2.8Å; Y360-M362 VanDerWaalsContact C-N 3.29Å; Y360-M362 PolarHBondContact O-N 3.07Å; Y360-A363 PolarHBondContact O-N 3.09Å; Y360-V364 HydrophobicContact CD2-CG2 3.67Å; Y360-V364 HydrophobicContact CE2-CG2 3.36Å; Y360-V364 WeakPolarHBondContact O-CG2 3.5Å; Y360-V364 PolarHBondContact O-N 3.46Å; Y360-Y374 AromaticContact CD1-CE2 3.8Å; Y360-Y374 HydrophobicContact CD1-CE2 3.8Å; Y360-Y374 AromaticContact CE1-CE2 3.94Å; Y360-Y374 HydrophobicContact CE1-CE2 3.94Å; Y360-Y374 HydrophobicContact CG-CE2 4.31Å; Y360-N429 HydrophobicContact CE1-CB 4.43Å; Y360-N429 PolarHBondContact OH-OD1 2.81Å; Y360-N429 VanDerWaalsContact OH-OD1 3.07Å
361A94.2Very high91.1Very high22 Ų2262.6 Ų62.618%0.18233%0.328CS..Hα-helixtrans-58.1-43.7176.200000111.4G357 H358 V364 L365 Y374G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 2.97Å; H358-A361 PolarHBondContact O-N 3.23Å; A361-V364 PolarHBondContact O-N 2.82Å; A361-L365 WeakPolarHBondContact O-CB 3.5Å; A361-L365 PolarHBondContact O-N 2.95Å; A361-Y374 HydrophobicContact CB-CE1 3.98Å
362M94.4Very high92Very high71 Ų7160 Ų6035%0.3530%0.3SS..Hα-helixtrans-66.8-35.4177.2-65.4-58.495.200112.8H358 A359 Y360 V364 L365 P366H358-M362 WeakPolarHBondContact O-CG 3.31Å; H358-M362 PolarHBondContact O-N 3.48Å; A359-M362 PolarHBondContact O-N 2.95Å; Y360-M362 VanDerWaalsContact C-N 3.29Å; Y360-M362 PolarHBondContact O-N 3.07Å; M362-V364 VanDerWaalsContact C-N 3.32Å; M362-V364 PolarHBondContact O-N 3.05Å; M362-L365 HydrophobicContact CE-CD2 4.24Å; M362-L365 HydrophobicContact SD-CD2 4.47Å; M362-P366 WeakPolarHBondContact O-CD 3.48Å
363A94.6Very high93Very high2 Ų258.9 Ų58.92%0.01729%0.294CS..Hα-helixtrans-69.4-29.5176.800000113.1I277 Q321 A325 A359 Y360I277-A363 HydrophobicContact CG2-CB 3.83Å; Q321-A363 HydrophobicContact CB-CB 4.07Å; A325-A363 HydrophobicContact CB-CB 4.06Å; A359-A363 WeakPolarHBondContact O-CB 3.45Å; A359-A363 PolarHBondContact O-N 3.26Å; Y360-A363 PolarHBondContact O-N 3.09Å
364V95.7Very high93.6Very high7 Ų761.7 Ų61.74%0.04230%0.304CS..Hα-helixtrans-90.6-25.5-179.6173.10000112.5F329 I343 Y360 A361 M362 P366 L367 V372 Y374F329-V364 HydrophobicContact CE2-CG2 3.97Å; I343-V364 HydrophobicContact CD1-CG1 3.84Å; I343-V364 HydrophobicContact CD1-CG2 3.93Å; Y360-V364 HydrophobicContact CD2-CG2 3.67Å; Y360-V364 HydrophobicContact CE2-CG2 3.36Å; Y360-V364 WeakPolarHBondContact O-CG2 3.5Å; Y360-V364 PolarHBondContact O-N 3.46Å; A361-V364 PolarHBondContact O-N 2.82Å; M362-V364 VanDerWaalsContact C-N 3.32Å; M362-V364 PolarHBondContact O-N 3.05Å; V364-P366 VanDerWaalsContact C-N 3.27Å; V364-P366 VanDerWaalsContact O-N 3.12Å; V364-L367 HydrophobicContact CB-CD1 4.45Å; V364-L367 HydrophobicContact CG1-CD1 4.19Å; V364-L367 HydrophobicContact CG2-CD1 4.44Å; V364-L367 VanDerWaalsContact O-CB 3.29Å; V364-L367 WeakPolarHBondContact O-CB 3.37Å; V364-L367 WeakPolarHBondContact O-CG 3.48Å; V364-L367 PolarHBondContact O-N 3.15Å; V364-V372 HydrophobicContact CG1-CG1 3.9Å; V364-Y374 HydrophobicContact CG1-CD2 4.36Å
365L94.7Very high93.9Very high131 Ų13155.8 Ų55.869%0.68628%0.284SS*.THydrogen-bonded Turntrans-49.3-36.6-179.1-170.669000114.8A361 M362 L367A361-L365 WeakPolarHBondContact O-CB 3.5Å; A361-L365 PolarHBondContact O-N 2.95Å; M362-L365 HydrophobicContact CE-CD2 4.24Å; M362-L365 HydrophobicContact SD-CD2 4.47Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L365-L367 PolarHBondContact O-N 3.12Å
366P94.8Very high93.9Very high76 Ų7653 Ų5349%0.49427%0.272SS..THydrogen-bonded Turntrans-79.5-2.4178.4-15.732.7000115.1A322 M362 V364A322-P366 HydrophobicContact CB-CG 4.39Å; M362-P366 WeakPolarHBondContact O-CD 3.48Å; V364-P366 VanDerWaalsContact C-N 3.27Å; V364-P366 VanDerWaalsContact O-N 3.12Å
367L95.3Very high93.6Very high24 Ų2453.8 Ų53.813%0.12628%0.276CS..SBendtrans-82.1152.3179-54.9-178.7000110.5R326 F329 V364 L365 E369 V372R326-L367 HydrophobicContact CB-CD2 3.72Å; R326-L367 HydrophobicContact CG-CD2 3.79Å; F329-L367 HydrophobicContact CB-CD1 4.33Å; F329-L367 HydrophobicContact CD2-CD1 3.49Å; F329-L367 VanDerWaalsContact CD2-CD1 3.49Å; F329-L367 HydrophobicContact CE2-CD1 4.2Å; F329-L367 HydrophobicContact CG-CD1 4.18Å; V364-L367 HydrophobicContact CB-CD1 4.45Å; V364-L367 HydrophobicContact CG1-CD1 4.19Å; V364-L367 HydrophobicContact CG2-CD1 4.44Å; V364-L367 VanDerWaalsContact O-CB 3.29Å; V364-L367 WeakPolarHBondContact O-CB 3.37Å; V364-L367 WeakPolarHBondContact O-CG 3.48Å; V364-L367 PolarHBondContact O-N 3.15Å; L365-L367 VanDerWaalsContact C-N 3.29Å; L365-L367 PolarHBondContact O-N 3.12Å; L367-E369 PolarHBondContact O-N 3.36Å; L367-V372 HydrophobicContact CB-CB 4.2Å; L367-V372 HydrophobicContact CB-CG2 4.38Å; L367-V372 HydrophobicContact CD1-CB 4.3Å; L367-V372 HydrophobicContact CD1-CG1 4.2Å; L367-V372 HydrophobicContact CD1-CG2 4.11Å
368D95Very high93Very high81 Ų8153.6 Ų53.643%0.43327%0.272SS..  trans-66.7121.9177.2-174.4-11000110K370 E371 V372D368-K370 PolarHBondContact O-N 3.5Å; D368-K370 VanDerWaalsContact O-N 3.13Å; D368-K370 VanDerWaalsContact OD1-CB 3.32Å; D368-K370 WeakPolarHBondContact OD1-CB 3.47Å; D368-K370 WeakPolarHBondContact OD1-CG 3.04Å; D368-K370 PolarHBondContact OD1-N 2.83Å; D368-E371 HydrophobicContact CB-CB 4.35Å; D368-E371 HydrophobicContact CB-CG 4.21Å; D368-E371 CarbonylContact O-C 3.42Å; D368-E371 WeakPolarHBondContact O-CA 3.49Å; D368-E371 WeakPolarHBondContact O-CB 3.44Å; D368-E371 PolarHBondContact O-N 2.87Å; D368-V372 PolarHBondContact O-N 3.45Å
369E93.5Very high91.9Very high143 Ų14348.2 Ų48.267%0.66825%0.247SC*.THydrogen-bonded Turntrans-59.3-24.3177.8-168.4-178.3-179.900112.9R340 L367 E371 V372R340-E369 PolarHBondContact NH2-O 2.92Å; L367-E369 PolarHBondContact O-N 3.36Å; E369-E371 VanDerWaalsContact C-N 3.29Å; E369-V372 WeakPolarHBondContact CA-O 3.23Å
370K93.7Very high90.7Very high157 Ų15751.6 Ų51.668%0.68326%0.26SS*.THydrogen-bonded Turntrans-68.9-29.6173.2-64.2176.6-177171.70112.1R340 D368R340-K370 WeakPolarHBondContact CD-O 3.32Å; R340-K370 WeakPolarHBondContact CG-O 3.46Å; R340-K370 PolarHBondContact NE-O 3.47Å; D368-K370 PolarHBondContact O-N 3.5Å; D368-K370 VanDerWaalsContact O-N 3.13Å; D368-K370 VanDerWaalsContact OD1-CB 3.32Å; D368-K370 WeakPolarHBondContact OD1-CB 3.47Å; D368-K370 WeakPolarHBondContact OD1-CG 3.04Å; D368-K370 PolarHBondContact OD1-N 2.83Å
371E95.6Very high89.5Confident62 Ų6257.1 Ų57.129%0.2928%0.281SS..THydrogen-bonded Turntrans-95.4-39.3178.9-67.5-174.1161.800112.4I333 Y334 R340 Q341 D368 E369I333-E371 HydrophobicContact CD1-CB 3.89Å; Y334-E371 PolarHBondContact OH-OE1 2.89Å; R340-E371 CarbonylContact C-O 3.56Å; R340-E371 WeakPolarHBondContact CA-O 3.38Å; R340-E371 VanDerWaalsContact CG-O 3.31Å; R340-E371 WeakPolarHBondContact CG-O 3.4Å; Q341-E371 PolarHBondContact N-O 2.86Å; D368-E371 HydrophobicContact CB-CB 4.35Å; D368-E371 HydrophobicContact CB-CG 4.21Å; D368-E371 CarbonylContact O-C 3.42Å; D368-E371 WeakPolarHBondContact O-CA 3.49Å; D368-E371 WeakPolarHBondContact O-CB 3.44Å; D368-E371 PolarHBondContact O-N 2.87Å; E369-E371 VanDerWaalsContact C-N 3.29Å
372V97.1Very high88Confident7 Ų757.2 Ų57.24%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-134.7107.6-173.8-174.80000109.8F329 I333 Q341 I343 V364 L367 D368 E369F329-V372 HydrophobicContact CB-CG2 3.93Å; F329-V372 HydrophobicContact CD1-CG1 4.35Å; F329-V372 HydrophobicContact CD1-CG2 4.23Å; F329-V372 HydrophobicContact CD2-CG1 4.47Å; F329-V372 HydrophobicContact CE1-CG1 4.4Å; F329-V372 HydrophobicContact CG-CG1 4.41Å; F329-V372 HydrophobicContact CG-CG2 4.01Å; I333-V372 HydrophobicContact CD1-CG2 3.98Å; Q341-V372 HydrophobicContact CB-CG2 4.48Å; Q341-V372 CarbonylContact O-C 3.44Å; Q341-V372 VanDerWaalsContact O-CA 3.31Å; Q341-V372 WeakPolarHBondContact O-CA 3.3Å; I343-V372 HydrophobicContact CD1-CG1 3.39Å; I343-V372 HydrophobicContact CG1-CG1 4.08Å; V364-V372 HydrophobicContact CG1-CG1 3.9Å; L367-V372 HydrophobicContact CB-CB 4.2Å; L367-V372 HydrophobicContact CB-CG2 4.38Å; L367-V372 HydrophobicContact CD1-CB 4.3Å; L367-V372 HydrophobicContact CD1-CG1 4.2Å; L367-V372 HydrophobicContact CD1-CG2 4.11Å; D368-V372 PolarHBondContact O-N 3.45Å; E369-V372 WeakPolarHBondContact CA-O 3.23Å
373K96.4Very high86.4Confident40 Ų4054.3 Ų54.317%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-96.4133.7172.3176.2168.9173.5171.60110.1Q341 I343 E401Q341-K373 PolarHBondContact O-N 2.9Å; I343-K373 WeakPolarHBondContact CB-O 3.36Å; I343-K373 PolarHBondContact N-O 3.3Å; K373-E401 HydrophobicContact CD-CG 4.14Å; K373-E401 VanDerWaalsContact CD-OE1 3.27Å; K373-E401 WeakPolarHBondContact CD-OE1 3.25Å; K373-E401 IonicContact NZ-OE1 3.01Å; K373-E401 PolarHBondContact NZ-OE1 2.86Å
374Y95.3Very high84.5Confident63 Ų6355.7 Ų55.725%0.24728%0.278CS..EExtended strand (participates in β ladder)trans-109.7116.9179.1-179.7-92000111.7I343 N345 Y360 A361 V364I343-Y374 HydrophobicContact CB-CD2 4.21Å; I343-Y374 HydrophobicContact CD1-CD2 4.17Å; I343-Y374 HydrophobicContact CG2-CD2 3.86Å; I343-Y374 HydrophobicContact CG2-CE2 4.21Å; N345-Y374 HydrophobicContact CB-CE2 3.88Å; N345-Y374 PolarHBondContact ND2-OH 3.05Å; Y360-Y374 AromaticContact CD1-CE2 3.8Å; Y360-Y374 HydrophobicContact CD1-CE2 3.8Å; Y360-Y374 AromaticContact CE1-CE2 3.94Å; Y360-Y374 HydrophobicContact CE1-CE2 3.94Å; Y360-Y374 HydrophobicContact CG-CE2 4.31Å; A361-Y374 HydrophobicContact CB-CE1 3.98Å; V364-Y374 HydrophobicContact CG1-CD2 4.36Å
375E92.7Very high82.5Confident35 Ų3560.8 Ų60.816%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-115.6117.7175.4-165.771.7-16300109.5I343 N345 L394 H397 L398I343-E375 WeakPolarHBondContact O-CB 3.44Å; I343-E375 PolarHBondContact O-N 2.72Å; N345-E375 PolarHBondContact N-O 3.4Å; E375-L394 HydrophobicContact CG-CD1 4.2Å; E375-H397 IonicContact OE1-CE1 3.35Å; E375-H397 IonicContact OE1-CG 3.48Å; E375-H397 IonicContact OE1-ND1 2.75Å; E375-H397 PolarHBondContact OE1-ND1 3.44Å; E375-L398 HydrophobicContact CG-CD2 4.43Å
376S89.6Confident80.7Confident47 Ų4760.3 Ų60.333%0.32932%0.317SS..EExtended strand (participates in β ladder)trans-103127.3175.6-177.60000110.8
377F84.7Confident79Confident18 Ų1861.7 Ų61.78%0.07931%0.312CS..  trans-133.7116.9-179.2-173.2-96.4000111.2N345 L346 F379 E382 L391 L394N345-F377 PolarHBondContact O-N 3.42Å; L346-F377 HydrophobicContact CD2-CB 4.2Å; L346-F377 HydrophobicContact CD2-CD1 4.29Å; F377-F379 HydrophobicContact CD1-CB 4.48Å; F377-F379 HydrophobicContact CE1-CD2 4.48Å; F377-F379 PolarHBondContact O-N 2.79Å; F377-E382 HydrophobicContact CE1-CB 3.93Å; F377-E382 HydrophobicContact CE1-CG 4.23Å; F377-E382 HydrophobicContact CE2-CB 4.27Å; F377-E382 HydrophobicContact CE2-CG 3.95Å; F377-E382 HydrophobicContact CZ-CB 3.56Å; F377-E382 HydrophobicContact CZ-CG 3.74Å; F377-L391 HydrophobicContact CE1-CD2 3.89Å; F377-L391 HydrophobicContact CZ-CD2 4.33Å; F377-L394 HydrophobicContact CB-CD1 4.02Å; F377-L394 HydrophobicContact CB-CD2 4.4Å; F377-L394 HydrophobicContact CD1-CD2 4.02Å; F377-L394 HydrophobicContact CD2-CB 3.97Å; F377-L394 HydrophobicContact CD2-CD1 4.05Å; F377-L394 HydrophobicContact CD2-CD2 4.48Å; F377-L394 HydrophobicContact CD2-CG 4.38Å; F377-L394 HydrophobicContact CE1-CD2 4.4Å; F377-L394 HydrophobicContact CE2-CB 3.86Å; F377-L394 HydrophobicContact CG-CB 4.37Å; F377-L394 HydrophobicContact CG-CD1 4.07Å; F377-L394 HydrophobicContact CG-CD2 4.05Å; F377-L394 HydrophobicContact CG-CG 4.39Å; F377-L394 HydrophobicContact CZ-CB 4.18Å
378D76.7Confident77.5Confident7 Ų763.3 Ų63.34%0.03732%0.317CS..  trans-76.383.2-179.7-169.6-12.4000111.2Q349 H380 R381 E382Q349-D378 HydrophobicContact CB-CB 4.38Å; Q349-D378 WeakPolarHBondContact CB-OD2 3.3Å; Q349-D378 HydrophobicContact CG-CB 3.8Å; D378-H380 VanDerWaalsContact C-N 3.31Å; D378-H380 PolarHBondContact O-N 2.96Å; D378-R381 HydrophobicContact CB-CB 4.02Å; D378-R381 PolarHBondContact O-N 2.82Å; D378-R381 PolarHBondContact OD1-N 2.85Å; D378-R381 VanDerWaalsContact OD2-CB 3.29Å; D378-R381 WeakPolarHBondContact OD2-CB 3.2Å; D378-R381 IonicContact OD2-NE 3.48Å; D378-R381 IonicContact OD2-NH1 3.12Å; D378-E382 WeakPolarHBondContact O-CB 3.36Å; D378-E382 VanDerWaalsContact O-CG 3.3Å; D378-E382 WeakPolarHBondContact O-CG 3.43Å; D378-E382 PolarHBondContact O-N 2.6Å
379F68.9Low76.2Confident1 Ų164.9 Ų64.90%0.00433%0.325CS..Hα-helixtrans-56.8-40.2-172.7-165.1-79.7000113.3L346 F377 C383 W388 L391 R436 V440L346-F379 HydrophobicContact CD2-CD2 4.43Å; F377-F379 HydrophobicContact CD1-CB 4.48Å; F377-F379 HydrophobicContact CE1-CD2 4.48Å; F377-F379 PolarHBondContact O-N 2.79Å; F379-C383 HydrophobicContact CD1-CB 4.11Å; F379-C383 HydrophobicContact CE1-CB 3.98Å; F379-C383 WeakPolarHBondContact O-CA 3.47Å; F379-C383 WeakPolarHBondContact O-CB 3.05Å; F379-C383 PolarHBondContact O-N 2.84Å; F379-W388 HydrophobicContact CE1-CH2 4.37Å; F379-W388 HydrophobicContact CE1-CZ3 4.03Å; F379-W388 HydrophobicContact CZ-CH2 4.4Å; F379-W388 AromaticContact CZ-CZ3 3.75Å; F379-W388 HydrophobicContact CZ-CZ3 3.75Å; F379-L391 HydrophobicContact CD2-CD2 4.18Å; F379-L391 HydrophobicContact CE2-CD2 3.8Å; F379-R436 HydrophobicContact CB-CG 4.39Å; F379-R436 HydrophobicContact CD1-CG 3.57Å; F379-R436 HydrophobicContact CD2-CB 4.29Å; F379-R436 HydrophobicContact CD2-CG 4.16Å; F379-R436 HydrophobicContact CE1-CG 3.74Å; F379-R436 HydrophobicContact CE2-CB 4.33Å; F379-R436 HydrophobicContact CE2-CG 4.29Å; F379-R436 HydrophobicContact CG-CB 4.36Å; F379-R436 HydrophobicContact CG-CG 3.78Å; F379-R436 HydrophobicContact CZ-CB 4.46Å; F379-R436 HydrophobicContact CZ-CG 4.07Å; F379-V440 HydrophobicContact CE2-CG2 4.3Å
380H68.5Low75.3Confident89 Ų8961.3 Ų61.341%0.41231%0.305SS..Hα-helixtrans-71.7-38.2-178.4-81.290.5000112.7D348 D378 G384 R436D348-H380 VanDerWaalsContact CG-ND1 3.31Å; D348-H380 IonicContact OD1-CE1 3.2Å; D348-H380 IonicContact OD1-CG 3.06Å; D348-H380 IonicContact OD1-ND1 2.89Å; D348-H380 PolarHBondContact OD1-ND1 2.76Å; D348-H380 IonicContact OD2-CE1 2.63Å; D348-H380 IonicContact OD2-CG 3.64Å; D348-H380 IonicContact OD2-ND1 3.5Å; D348-H380 PolarHBondContact OD2-ND1 2.97Å; D378-H380 VanDerWaalsContact C-N 3.31Å; D378-H380 PolarHBondContact O-N 2.96Å; H380-G384 PolarHBondContact O-N 2.88Å; H380-R436 PolarHBondContact ND1-NH1 2.87Å; H380-R436 VanDerWaalsContact ND1-NH1 3.2Å
381R67.6Low74.7Confident117 Ų11753.9 Ų53.944%0.44227%0.273SS..Hα-helixtrans-68-44.4176.9-174.2-177.476.9-156.57.6111.5D378 R387D378-R381 HydrophobicContact CB-CB 4.02Å; D378-R381 PolarHBondContact O-N 2.82Å; D378-R381 PolarHBondContact OD1-N 2.85Å; D378-R381 VanDerWaalsContact OD2-CB 3.29Å; D378-R381 WeakPolarHBondContact OD2-CB 3.2Å; D378-R381 IonicContact OD2-NE 3.48Å; D378-R381 IonicContact OD2-NH1 3.12Å; R381-R387 PolarHBondContact O-NH2 2.81Å
382E63.5Low74.1Confident24 Ų2451.3 Ų51.311%0.11226%0.263CS..Hα-helixtrans-76.5-41.2-174.7-59.1-54.3145.300111.3F377 D378 R390F377-E382 HydrophobicContact CE1-CB 3.93Å; F377-E382 HydrophobicContact CE1-CG 4.23Å; F377-E382 HydrophobicContact CE2-CB 4.27Å; F377-E382 HydrophobicContact CE2-CG 3.95Å; F377-E382 HydrophobicContact CZ-CB 3.56Å; F377-E382 HydrophobicContact CZ-CG 3.74Å; D378-E382 WeakPolarHBondContact O-CB 3.36Å; D378-E382 VanDerWaalsContact O-CG 3.3Å; D378-E382 WeakPolarHBondContact O-CG 3.43Å; D378-E382 PolarHBondContact O-N 2.6Å; E382-R390 HydrophobicContact CB-CB 4.1Å; E382-R390 WeakPolarHBondContact O-CD 3.49Å; E382-R390 IonicContact OE1-NH1 3.86Å; E382-R390 WeakPolarHBondContact OE2-CD 3.45Å; E382-R390 IonicContact OE2-CZ 3.65Å; E382-R390 IonicContact OE2-NE 3.63Å; E382-R390 IonicContact OE2-NH1 3.98Å; E382-R390 PolarHBondContact OE2-NH1 2.76Å
383C61.5Low73.6Confident10 Ų1054.8 Ų54.87%0.06828%0.281CS..SBendtrans-101.517.9-174.6-53.40000114.7F379 S385 W388 L391F379-C383 HydrophobicContact CD1-CB 4.11Å; F379-C383 HydrophobicContact CE1-CB 3.98Å; F379-C383 WeakPolarHBondContact O-CA 3.47Å; F379-C383 WeakPolarHBondContact O-CB 3.05Å; F379-C383 PolarHBondContact O-N 2.84Å; C383-S385 PolarHBondContact O-N 2.88Å; C383-W388 HydrophobicContact CB-CE3 4.14Å; C383-W388 HydrophobicContact CB-CZ3 4.12Å; C383-L391 VanDerWaalsContact SG-CD2 3.55Å
384G53Low73.2Confident30 Ų3053 Ų5331%0.30927%0.274SS..G310 helixtrans-59.3127.1177.200000112.7H380 T386H380-G384 PolarHBondContact O-N 2.88Å; G384-T386 PolarHBondContact O-N 2.81Å
385S55.2Low73Confident115 Ų11550.2 Ų50.280%0.80426%0.263SS*.G310 helixtrans26.873.817968.30000115.3C383C383-S385 PolarHBondContact O-N 2.88Å
386T55.3Low72.9Confident120 Ų12053.5 Ų53.574%0.73628%0.278SS*.G310 helixtrans97.7-4.8168.3790000119.4G384 W388G384-T386 PolarHBondContact O-N 2.81Å; T386-W388 VanDerWaalsContact C-N 3.27Å; T386-W388 PolarHBondContact O-N 3.38Å
387R60.8Low73Confident106 Ų10655.6 Ų55.640%0.428%0.282SS..  trans-83.361.5176.5-67.4-165.3-55.5-156.2-2114.7R381 D389 R390R381-R387 PolarHBondContact O-NH2 2.81Å; R387-D389 VanDerWaalsContact C-N 3.27Å; R387-D389 WeakPolarHBondContact CA-OD1 3.35Å; R387-D389 WeakPolarHBondContact CB-OD1 3.23Å; R387-R390 HydrophobicContact CB-CG 4.4Å
388W63Low73.5Confident57 Ų5754.8 Ų54.822%0.21628%0.279CS..THydrogen-bonded Turntrans-76.3-16.6178-59.8105.3000113.2F379 C383 T386 R390 L391 F511F379-W388 HydrophobicContact CE1-CH2 4.37Å; F379-W388 HydrophobicContact CE1-CZ3 4.03Å; F379-W388 HydrophobicContact CZ-CH2 4.4Å; F379-W388 AromaticContact CZ-CZ3 3.75Å; F379-W388 HydrophobicContact CZ-CZ3 3.75Å; C383-W388 HydrophobicContact CB-CE3 4.14Å; C383-W388 HydrophobicContact CB-CZ3 4.12Å; T386-W388 VanDerWaalsContact C-N 3.27Å; T386-W388 PolarHBondContact O-N 3.38Å; W388-R390 PolarHBondContact O-N 2.96Å; W388-L391 HydrophobicContact CE3-CD1 3.61Å; W388-L391 HydrophobicContact CE3-CG 4.43Å; W388-L391 HydrophobicContact CZ3-CD1 4.08Å; W388-L391 WeakPolarHBondContact O-CB 3.42Å; W388-L391 PolarHBondContact O-N 2.82Å; W388-F511 HydrophobicContact CB-CZ 4.32Å; W388-F511 AromaticContact CD1-CE2 3.69Å; W388-F511 HydrophobicContact CD2-CD2 4.34Å; W388-F511 HydrophobicContact CD2-CE1 4.41Å; W388-F511 AromaticContact CD2-CE2 3.55Å; W388-F511 HydrophobicContact CD2-CE2 3.55Å; W388-F511 AromaticContact CD2-CZ 3.58Å; W388-F511 HydrophobicContact CD2-CZ 3.58Å; W388-F511 AromaticContact CE2-CD2 3.77Å; W388-F511 AromaticContact CE2-CE2 3.35Å; W388-F511 AromaticContact CE2-CZ 3.88Å; W388-F511 HydrophobicContact CE3-CE1 4.27Å; W388-F511 HydrophobicContact CE3-CE2 4.19Å; W388-F511 AromaticContact CE3-CZ 3.85Å; W388-F511 HydrophobicContact CE3-CZ 3.85Å; W388-F511 AromaticContact CG-CE2 3.74Å; W388-F511 HydrophobicContact CG-CE2 3.74Å; W388-F511 AromaticContact CG-CZ 3.8Å; W388-F511 HydrophobicContact CG-CZ 3.8Å; W388-F511 HydrophobicContact CH2-CD2 4.33Å; W388-F511 HydrophobicContact CH2-CE2 4.41Å; W388-F511 HydrophobicContact CH2-CG 4.42Å; W388-F511 AromaticContact CZ2-CD2 3.77Å; W388-F511 HydrophobicContact CZ2-CD2 3.77Å; W388-F511 AromaticContact CZ2-CE2 3.83Å; W388-F511 HydrophobicContact CZ2-CE2 3.83Å; W388-F511 HydrophobicContact CZ2-CG 4.27Å; W388-F511 HydrophobicContact CZ2-CZ 4.37Å; W388-F511 HydrophobicContact CZ3-CE1 4.39Å; W388-F511 HydrophobicContact CZ3-CZ 4.33Å; W388-F511 AromaticContact NE1-CD2 3.99Å; W388-F511 AromaticContact NE1-CE2 3.44Å
389D68.8Low74.4Confident114 Ų11454.9 Ų54.961%0.6128%0.279SS*.THydrogen-bonded Turntrans-51.9-33.7169.561.3-49.4000112R387 L391 G392R387-D389 VanDerWaalsContact C-N 3.27Å; R387-D389 WeakPolarHBondContact CA-OD1 3.35Å; R387-D389 WeakPolarHBondContact CB-OD1 3.23Å; D389-L391 PolarHBondContact O-N 2.88Å; D389-G392 WeakPolarHBondContact O-CA 3.39Å; D389-G392 PolarHBondContact O-N 3.13Å
390R74.2Confident75.7Confident68 Ų6858.2 Ų58.226%0.25730%0.301SS..Hα-helixtrans-68.5-17.7178.5-60.7-154.1179.7-177.2-9.8114.6E382 R387 W388 G392 I393E382-R390 HydrophobicContact CB-CB 4.1Å; E382-R390 WeakPolarHBondContact O-CD 3.49Å; E382-R390 IonicContact OE1-NH1 3.86Å; E382-R390 WeakPolarHBondContact OE2-CD 3.45Å; E382-R390 IonicContact OE2-CZ 3.65Å; E382-R390 IonicContact OE2-NE 3.63Å; E382-R390 IonicContact OE2-NH1 3.98Å; E382-R390 PolarHBondContact OE2-NH1 2.76Å; R387-R390 HydrophobicContact CB-CG 4.4Å; W388-R390 PolarHBondContact O-N 2.96Å; R390-G392 PolarHBondContact O-N 2.81Å; R390-I393 HydrophobicContact CB-CD1 4.23Å; R390-I393 HydrophobicContact CG-CD1 4.28Å; R390-I393 WeakPolarHBondContact O-CB 3.24Å; R390-I393 PolarHBondContact O-N 2.93Å; R390-I393 VanDerWaalsContact O-N 3.16Å
391L80.7Confident77Confident1 Ų154.9 Ų54.91%0.00529%0.286CS..Hα-helixtrans-68.2-20.4168.9-65176000111.7F377 F379 C383 W388 D389 I393 L394 L395 V439 M443 A467F377-L391 HydrophobicContact CE1-CD2 3.89Å; F377-L391 HydrophobicContact CZ-CD2 4.33Å; F379-L391 HydrophobicContact CD2-CD2 4.18Å; F379-L391 HydrophobicContact CE2-CD2 3.8Å; C383-L391 VanDerWaalsContact SG-CD2 3.55Å; W388-L391 HydrophobicContact CE3-CD1 3.61Å; W388-L391 HydrophobicContact CE3-CG 4.43Å; W388-L391 HydrophobicContact CZ3-CD1 4.08Å; W388-L391 WeakPolarHBondContact O-CB 3.42Å; W388-L391 PolarHBondContact O-N 2.82Å; D389-L391 PolarHBondContact O-N 2.88Å; L391-I393 VanDerWaalsContact C-N 3.3Å; L391-L394 PolarHBondContact O-N 2.92Å; L391-L395 PolarHBondContact O-N 3.47Å; L391-V439 HydrophobicContact CD1-CG1 3.8Å; L391-M443 HydrophobicContact CB-CE 3.57Å; L391-M443 HydrophobicContact CB-SD 3.98Å; L391-M443 HydrophobicContact CD1-CE 4.37Å; L391-M443 HydrophobicContact CD1-SD 3.65Å; L391-M443 HydrophobicContact CG-SD 4.37Å; L391-A467 HydrophobicContact CB-CB 4.11Å; L391-A467 HydrophobicContact CD1-CB 4.39Å
392G83.1Confident78.4Confident8 Ų849.5 Ų49.58%0.08227%0.266CS..Hα-helixtrans-62.1-37.616900000112.4D389 R390 L394 L395 E396 R465D389-G392 WeakPolarHBondContact O-CA 3.39Å; D389-G392 PolarHBondContact O-N 3.13Å; R390-G392 PolarHBondContact O-N 2.81Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 2.59Å; G392-L395 CarbonylContact O-C 3.59Å; G392-L395 WeakPolarHBondContact O-CB 3.22Å; G392-L395 PolarHBondContact O-N 2.87Å; G392-L395 VanDerWaalsContact O-N 3.11Å; G392-E396 WeakPolarHBondContact O-CG 3.33Å; G392-E396 PolarHBondContact O-N 2.9Å; G392-R465 WeakPolarHBondContact CA-O 3.32Å
393I85.6Confident80Confident80 Ų8052 Ų5241%0.4128%0.28SS..Hα-helixtrans-61.5-44175.3-54.7170.1000110.3R390 L391 L395 E396 H397R390-I393 HydrophobicContact CB-CD1 4.23Å; R390-I393 HydrophobicContact CG-CD1 4.28Å; R390-I393 WeakPolarHBondContact O-CB 3.24Å; R390-I393 PolarHBondContact O-N 2.93Å; R390-I393 VanDerWaalsContact O-N 3.16Å; L391-I393 VanDerWaalsContact C-N 3.3Å; I393-L395 VanDerWaalsContact C-N 3.33Å; I393-L395 PolarHBondContact O-N 2.96Å; I393-E396 WeakPolarHBondContact O-CB 3.32Å; I393-E396 PolarHBondContact O-N 3.3Å; I393-H397 PolarHBondContact O-N 2.85Å
394L89.5Confident81.6Confident4 Ų458.8 Ų58.82%0.02130%0.304CS..Hα-helixtrans-61.6-43.4174.6-179.960.3000110.9I344 L346 E375 F377 L391 G392 E396 H397 L398 V440I344-L394 HydrophobicContact CG2-CD2 4.47Å; L346-L394 HydrophobicContact CD2-CD2 4.41Å; E375-L394 HydrophobicContact CG-CD1 4.2Å; F377-L394 HydrophobicContact CB-CD1 4.02Å; F377-L394 HydrophobicContact CB-CD2 4.4Å; F377-L394 HydrophobicContact CD1-CD2 4.02Å; F377-L394 HydrophobicContact CD2-CB 3.97Å; F377-L394 HydrophobicContact CD2-CD1 4.05Å; F377-L394 HydrophobicContact CD2-CD2 4.48Å; F377-L394 HydrophobicContact CD2-CG 4.38Å; F377-L394 HydrophobicContact CE1-CD2 4.4Å; F377-L394 HydrophobicContact CE2-CB 3.86Å; F377-L394 HydrophobicContact CG-CB 4.37Å; F377-L394 HydrophobicContact CG-CD1 4.07Å; F377-L394 HydrophobicContact CG-CD2 4.05Å; F377-L394 HydrophobicContact CG-CG 4.39Å; F377-L394 HydrophobicContact CZ-CB 4.18Å; L391-L394 PolarHBondContact O-N 2.92Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 2.59Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-E396 PolarHBondContact O-N 2.77Å; L394-H397 PolarHBondContact O-N 2.91Å; L394-L398 HydrophobicContact CD1-CD1 3.82Å; L394-L398 HydrophobicContact CD1-CD2 4.47Å; L394-L398 HydrophobicContact CD1-CG 4Å; L394-L398 HydrophobicContact CD2-CD1 4.21Å; L394-L398 HydrophobicContact CG-CD1 3.66Å; L394-L398 HydrophobicContact CG-CG 4.2Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.3Å; L394-L398 PolarHBondContact O-N 2.91Å; L394-L398 VanDerWaalsContact O-N 3.08Å; L394-V440 HydrophobicContact CD2-CG1 4.11Å; L394-V440 HydrophobicContact CD2-CG2 3.97Å
395L90.4Very high83.7Confident3 Ų357.4 Ų57.42%0.01629%0.29CS..Hα-helixtrans-61.9-35.8176.5-73.8-178.5000113L391 G392 I393 H397 L398 I399 M443 L444L391-L395 PolarHBondContact O-N 3.47Å; G392-L395 CarbonylContact O-C 3.59Å; G392-L395 WeakPolarHBondContact O-CB 3.22Å; G392-L395 PolarHBondContact O-N 2.87Å; G392-L395 VanDerWaalsContact O-N 3.11Å; I393-L395 VanDerWaalsContact C-N 3.33Å; I393-L395 PolarHBondContact O-N 2.96Å; L395-H397 PolarHBondContact O-N 3.24Å; L395-L398 PolarHBondContact O-N 2.88Å; L395-L398 VanDerWaalsContact O-N 3.15Å; L395-I399 HydrophobicContact CB-CD1 4Å; L395-I399 HydrophobicContact CB-CG1 4.4Å; L395-I399 VanDerWaalsContact O-CB 3.31Å; L395-I399 WeakPolarHBondContact O-CB 3.17Å; L395-I399 WeakPolarHBondContact O-CG1 3.27Å; L395-I399 PolarHBondContact O-N 2.79Å; L395-M443 HydrophobicContact CD1-CE 3.34Å; L395-M443 HydrophobicContact CD2-CB 4.19Å; L395-M443 HydrophobicContact CD2-CE 4.1Å; L395-M443 HydrophobicContact CG-CE 3.59Å; L395-L444 HydrophobicContact CD2-CD2 4.21Å
396E91Very high85.7Confident105 Ų10556.9 Ų56.949%0.49127%0.273SS..Hα-helixtrans-58.3-34.4176.3-74.6177.117700112.3G392 I393 L394 P400G392-E396 WeakPolarHBondContact O-CG 3.33Å; G392-E396 PolarHBondContact O-N 2.9Å; I393-E396 WeakPolarHBondContact O-CB 3.32Å; I393-E396 PolarHBondContact O-N 3.3Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-E396 PolarHBondContact O-N 2.77Å; E396-P400 WeakPolarHBondContact O-CD 3.22Å; E396-P400 WeakPolarHBondContact O-CG 3.38Å
397H92Very high87.7Confident91 Ų9151.5 Ų51.542%0.42124%0.239SC..Hα-helixtrans-81.7-32.8176-65-176.2000113.1E375 I393 L394 L395E375-H397 IonicContact OE1-CE1 3.35Å; E375-H397 IonicContact OE1-CG 3.48Å; E375-H397 IonicContact OE1-ND1 2.75Å; E375-H397 PolarHBondContact OE1-ND1 3.44Å; I393-H397 PolarHBondContact O-N 2.85Å; L394-H397 PolarHBondContact O-N 2.91Å; L395-H397 PolarHBondContact O-N 3.24Å
398L95Very high89.5Confident1 Ų146.4 Ų46.41%0.00522%0.22CC..Hα-helixtrans-87.8-30.4-174.5-61.3-179.7000113.9T342 I344 E375 L394 L395 E401 L402 F426 V440 L444T342-L398 HydrophobicContact CG2-CD2 4.17Å; I344-L398 HydrophobicContact CD1-CD1 3.65Å; I344-L398 HydrophobicContact CD1-CD2 4.22Å; I344-L398 HydrophobicContact CG1-CD1 4.2Å; I344-L398 HydrophobicContact CG1-CD2 4.04Å; E375-L398 HydrophobicContact CG-CD2 4.43Å; L394-L398 HydrophobicContact CD1-CD1 3.82Å; L394-L398 HydrophobicContact CD1-CD2 4.47Å; L394-L398 HydrophobicContact CD1-CG 4Å; L394-L398 HydrophobicContact CD2-CD1 4.21Å; L394-L398 HydrophobicContact CG-CD1 3.66Å; L394-L398 HydrophobicContact CG-CG 4.2Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.3Å; L394-L398 PolarHBondContact O-N 2.91Å; L394-L398 VanDerWaalsContact O-N 3.08Å; L395-L398 PolarHBondContact O-N 2.88Å; L395-L398 VanDerWaalsContact O-N 3.15Å; L398-E401 WeakPolarHBondContact O-CB 3.31Å; L398-E401 PolarHBondContact O-N 3.19Å; L398-E401 VanDerWaalsContact O-N 3.1Å; L398-L402 PolarHBondContact O-N 3.06Å; L398-F426 HydrophobicContact CB-CE1 4.14Å; L398-F426 HydrophobicContact CD2-CD1 4.33Å; L398-F426 HydrophobicContact CD2-CE1 4.02Å; L398-V440 HydrophobicContact CD1-CG1 4.3Å; L398-L444 HydrophobicContact CB-CD2 3.81Å; L398-L444 HydrophobicContact CD1-CD1 4.19Å; L398-L444 HydrophobicContact CD1-CD2 4.07Å; L398-L444 HydrophobicContact CD1-CG 4.43Å
399I95.5Very high91.1Very high8 Ų844.1 Ų44.14%0.04121%0.212CC..Hα-helixtrans-59.6-45.1179.9-74.4167.9000112L395 E401 L402 L403 R465L395-I399 HydrophobicContact CB-CD1 4Å; L395-I399 HydrophobicContact CB-CG1 4.4Å; L395-I399 VanDerWaalsContact O-CB 3.31Å; L395-I399 WeakPolarHBondContact O-CB 3.17Å; L395-I399 WeakPolarHBondContact O-CG1 3.27Å; L395-I399 PolarHBondContact O-N 2.79Å; I399-E401 PolarHBondContact O-N 2.86Å; I399-L402 WeakPolarHBondContact O-CB 3.43Å; I399-L402 PolarHBondContact O-N 3.2Å; I399-L403 HydrophobicContact CG2-CD1 4.12Å; I399-L403 HydrophobicContact CG2-CG 4.28Å; I399-L403 WeakPolarHBondContact O-CG 3.38Å; I399-L403 PolarHBondContact O-N 2.7Å; I399-R465 HydrophobicContact CD1-CB 4.17Å; I399-R465 HydrophobicContact CD1-CG 3.66Å
400P96.1Very high92.5Very high72 Ų7239.1 Ų39.147%0.46819%0.185SC..Hα-helixtrans-56-38.4174-26.935.5000112.9E396 R404E396-P400 WeakPolarHBondContact O-CD 3.22Å; E396-P400 WeakPolarHBondContact O-CG 3.38Å; P400-R404 VanDerWaalsContact O-CB 3.32Å; P400-R404 WeakPolarHBondContact O-CB 3.5Å; P400-R404 PolarHBondContact O-N 2.77Å
401E96.2Very high93.5Very high18 Ų1837.2 Ų37.28%0.08418%0.18CC..Hα-helixtrans-71-32.9176.8-57.8-57.9166.400112.5R340 T342 K373 L398 I399 R404 S405 F426R340-E401 IonicContact CZ-OE2 2.89Å; R340-E401 IonicContact NH1-OE2 2.65Å; R340-E401 PolarHBondContact NH1-OE2 3.33Å; R340-E401 IonicContact NH2-OE2 3.18Å; T342-E401 HydrophobicContact CG2-CG 4.42Å; K373-E401 HydrophobicContact CD-CG 4.14Å; K373-E401 VanDerWaalsContact CD-OE1 3.27Å; K373-E401 WeakPolarHBondContact CD-OE1 3.25Å; K373-E401 IonicContact NZ-OE1 3.01Å; K373-E401 PolarHBondContact NZ-OE1 2.86Å; L398-E401 WeakPolarHBondContact O-CB 3.31Å; L398-E401 PolarHBondContact O-N 3.19Å; L398-E401 VanDerWaalsContact O-N 3.1Å; I399-E401 PolarHBondContact O-N 2.86Å; E401-R404 PolarHBondContact O-N 3.43Å; E401-S405 WeakPolarHBondContact O-CB 3.2Å; E401-S405 PolarHBondContact O-N 2.96Å; E401-S405 PolarHBondContact O-OG 3.24Å; E401-F426 HydrophobicContact CB-CE1 4Å; E401-F426 HydrophobicContact CB-CZ 3.96Å
402L96.5Very high94.2Very high5 Ų540.1 Ų40.13%0.02619%0.194CC..Hα-helixtrans-66.4-48.1175.7-179.3153.1000110F268 L398 I399 R404 S405 K406 F426 L444 C447 A448F268-L402 HydrophobicContact CZ-CD1 4.17Å; L398-L402 PolarHBondContact O-N 3.06Å; I399-L402 WeakPolarHBondContact O-CB 3.43Å; I399-L402 PolarHBondContact O-N 3.2Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 2.67Å; L402-S405 PolarHBondContact O-N 3.03Å; L402-K406 PolarHBondContact O-N 3.11Å; L402-F426 HydrophobicContact CB-CE2 3.95Å; L402-F426 HydrophobicContact CB-CZ 3.82Å; L402-F426 HydrophobicContact CG-CE2 4.42Å; L402-L444 HydrophobicContact CD1-CD2 4.21Å; L402-L444 WeakPolarHBondContact CD1-O 3.44Å; L402-C447 HydrophobicContact CD1-CB 3.86Å; L402-A448 HydrophobicContact CD1-CB 4.22Å
403L96.6Very high94.6Very high77 Ų7745.1 Ų45.140%0.40322%0.219SC..Hα-helixtrans-62.8-38.2177.2-62.7178.6000111.7I399 Q451I399-L403 HydrophobicContact CG2-CD1 4.12Å; I399-L403 HydrophobicContact CG2-CG 4.28Å; I399-L403 WeakPolarHBondContact O-CG 3.38Å; I399-L403 PolarHBondContact O-N 2.7Å; L403-Q451 HydrophobicContact CD2-CG 3.92Å; L403-Q451 VanDerWaalsContact CD2-OE1 3.3Å
404R96.1Very high94.7Very high151 Ų15145.9 Ų45.957%0.5722%0.224SC*.Hα-helixtrans-67.2-44.9175.7-179.1179.1178.2157.60.5112.5P400 E401 L402 K406P400-R404 VanDerWaalsContact O-CB 3.32Å; P400-R404 WeakPolarHBondContact O-CB 3.5Å; P400-R404 PolarHBondContact O-N 2.77Å; E401-R404 PolarHBondContact O-N 3.43Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 2.67Å; R404-K406 VanDerWaalsContact C-N 3.25Å; R404-K406 PolarHBondContact O-N 2.8Å
405S95.8Very high94.7Very high2 Ų251.1 Ų51.11%0.01426%0.261CS..Hα-helixtrans-75.6-18.3-177.2-54.40000112.4E401 L402 Q422 T423 G424E401-S405 WeakPolarHBondContact O-CB 3.2Å; E401-S405 PolarHBondContact O-N 2.96Å; E401-S405 PolarHBondContact O-OG 3.24Å; L402-S405 PolarHBondContact O-N 3.03Å; S405-Q422 CarbonylContact O-C 3.6Å; S405-Q422 WeakPolarHBondContact O-CA 3.32Å; S405-T423 PolarHBondContact O-N 3.43Å; S405-T423 PolarHBondContact O-OG1 3.47Å; S405-G424 WeakPolarHBondContact CB-O 3.33Å
406K96.7Very high94.7Very high104 Ų10453.2 Ų53.245%0.45228%0.279SS..  trans56.6-167.7-178.5-54.5-178.6-179.4-176.30111.5L402 R404 T420L402-K406 PolarHBondContact O-N 3.11Å; R404-K406 VanDerWaalsContact C-N 3.25Å; R404-K406 PolarHBondContact O-N 2.8Å; K406-T420 HydrophobicContact CD-CG2 4.27Å
407Q97.4Very high95Very high6 Ų651.2 Ų51.23%0.02827%0.274CS..  trans-136.4169.9168.760.6-168.3-22.600107.9F266 S267 F268 T420 R421 A448F266-Q407 HydrophobicContact CD1-CG 4.06Å; S267-Q407 WeakPolarHBondContact O-CB 3.43Å; F268-Q407 HydrophobicContact CB-CB 4.23Å; F268-Q407 HydrophobicContact CD2-CB 4.25Å; Q407-T420 PolarHBondContact O-OG1 3.24Å; Q407-R421 CarbonylContact O-C 3.5Å; Q407-A448 PolarHBondContact NE2-O 2.88Å; Q407-A448 VanDerWaalsContact NE2-O 3.13Å; Q407-A448 PolarHBondContact OE1-O 3.21Å
408L98.3Very high95.2Very high0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-72.2131.3169.2179.575.5000108.7L139 Q140 F266 S267 I410 I418 T420 R421L139-L408 HydrophobicContact CB-CD2 4Å; L139-L408 HydrophobicContact CD2-CD2 3.9Å; L139-L408 HydrophobicContact CG-CD2 3.64Å; Q140-L408 HydrophobicContact CB-CB 4.37Å; Q140-L408 HydrophobicContact CB-CD1 4.23Å; Q140-L408 HydrophobicContact CB-CD2 3.91Å; Q140-L408 HydrophobicContact CB-CG 4.4Å; Q140-L408 HydrophobicContact CG-CD1 4.11Å; F266-L408 CarbonylContact C-O 3.16Å; F266-L408 WeakPolarHBondContact CA-O 3.35Å; S267-L408 PolarHBondContact N-O 2.98Å; S267-L408 PolarHBondContact O-N 2.94Å; L408-I410 HydrophobicContact CD1-CG1 4.34Å; L408-I410 HydrophobicContact CD2-CD1 3.97Å; L408-I410 HydrophobicContact CD2-CG1 4.22Å; L408-I410 HydrophobicContact CG-CD1 4.38Å; L408-I410 HydrophobicContact CG-CG1 4.08Å; L408-I418 HydrophobicContact CD1-CG2 4.16Å; L408-T420 WeakPolarHBondContact CA-O 3.13Å; L408-R421 HydrophobicContact CD1-CG 4.28Å
409H98Very high95.2Very high9 Ų953.3 Ų53.34%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-129.4122.8171.5179.9-162.9000109.7H264 R265 F266 I419 T420H264-H409 AromaticContact CG-NE2 3.65Å; H264-H409 AromaticContact ND1-CE1 3.96Å; H264-H409 AromaticContact ND1-NE2 3.15Å; H264-H409 PolarHBondContact ND1-NE2 3.22Å; H264-H409 VanDerWaalsContact ND1-NE2 3.15Å; R265-H409 WeakPolarHBondContact O-CA 3.45Å; F266-H409 HydrophobicContact CD1-CB 3.87Å; F266-H409 AromaticContact CD1-CD2 3.91Å; F266-H409 AromaticContact CD1-CG 3.97Å; F266-H409 HydrophobicContact CE1-CB 3.68Å; F266-H409 AromaticContact CE1-CD2 3.32Å; F266-H409 WeakPolarHBondContact CE1-CD2 3.37Å; F266-H409 AromaticContact CE1-CE1 3.96Å; F266-H409 AromaticContact CE1-CG 3.34Å; F266-H409 AromaticContact CE1-ND1 3.8Å; F266-H409 AromaticContact CE1-NE2 3.73Å; F266-H409 AromaticContact CE2-CD2 3.94Å; F266-H409 AromaticContact CE2-NE2 4Å; F266-H409 AromaticContact CZ-CD2 3.34Å; F266-H409 WeakPolarHBondContact CZ-CD2 3.08Å; F266-H409 AromaticContact CZ-CE1 3.77Å; F266-H409 AromaticContact CZ-CG 3.8Å; F266-H409 AromaticContact CZ-NE2 3.32Å; F266-H409 VanDerWaalsContact CZ-NE2 3.32Å; F266-H409 WeakPolarHBondContact CZ-NE2 3.37Å; H409-I419 HydrophobicContact CB-CB 4.29Å; H409-I419 WeakPolarHBondContact CE1-CD1 3Å; H409-I419 PolarHBondContact O-N 3.44Å; H409-T420 WeakPolarHBondContact CB-OG1 3.32Å; H409-T420 PolarHBondContact N-O 2.92Å; H409-T420 PolarHBondContact O-N 2.92Å
410I97.6Very high95.3Very high9 Ų954.2 Ų54.25%0.04629%0.292CS..EExtended strand (participates in β ladder)trans-118.9128.2176.2-48.7178.3000108.4L139 S143 H264 R265 L408 M412 A416 T417 I418L139-I410 HydrophobicContact CD2-CD1 4.26Å; L139-I410 HydrophobicContact CG-CD1 4.29Å; S143-I410 VanDerWaalsContact OG-CD1 3.25Å; S143-I410 WeakPolarHBondContact OG-CD1 3.49Å; H264-I410 WeakPolarHBondContact CA-O 3.44Å; R265-I410 HydrophobicContact CB-CB 4.37Å; R265-I410 PolarHBondContact N-O 3.28Å; R265-I410 PolarHBondContact O-N 3.09Å; L408-I410 HydrophobicContact CD1-CG1 4.34Å; L408-I410 HydrophobicContact CD2-CD1 3.97Å; L408-I410 HydrophobicContact CD2-CG1 4.22Å; L408-I410 HydrophobicContact CG-CD1 4.38Å; L408-I410 HydrophobicContact CG-CG1 4.08Å; I410-M412 HydrophobicContact CG2-SD 3.85Å; I410-A416 HydrophobicContact CG2-CB 4.21Å; I410-T417 WeakPolarHBondContact CA-O 3.13Å; I410-I418 HydrophobicContact CG1-CG1 4.34Å
411D96Very high95.4Very high27 Ų2756.1 Ų56.114%0.14429%0.29CS..EExtended strand (participates in β ladder)trans-93.6104.7170.1-178.63.9000110.1H264 N413 N414 A416 T417 I419H264-D411 IonicContact CE1-OD1 2.72Å; H264-D411 IonicContact CE1-OD2 2.73Å; H264-D411 IonicContact ND1-OD1 3.69Å; D411-N413 VanDerWaalsContact C-N 3.29Å; D411-N413 WeakPolarHBondContact OD1-CA 3.49Å; D411-N413 VanDerWaalsContact OD1-CB 3.24Å; D411-N413 WeakPolarHBondContact OD1-CB 3.24Å; D411-N413 PolarHBondContact OD1-N 3.41Å; D411-N414 PolarHBondContact O-N 2.95Å; D411-N414 PolarHBondContact OD1-N 2.85Å; D411-N414 WeakPolarHBondContact OD2-CB 3.43Å; D411-A416 CarbonylContact O-C 3.58Å; D411-A416 WeakPolarHBondContact O-CA 3.34Å; D411-A416 PolarHBondContact O-N 3.29Å; D411-A416 VanDerWaalsContact O-N 3.15Å; D411-T417 PolarHBondContact N-O 2.93Å; D411-T417 PolarHBondContact O-N 2.96Å; D411-I419 HydrophobicContact CB-CD1 3.66Å; D411-I419 HydrophobicContact CB-CG1 4.21Å
412M94.2Very high95.5Very high62 Ų6255.7 Ų55.731%0.30529%0.288SS..THydrogen-bonded Turntrans-74.8-20.2177.6-56.2-62.4-55.600112.4G263 R265 I410 N414 A416G263-M412 WeakPolarHBondContact O-CA 3.31Å; G263-M412 WeakPolarHBondContact O-CB 3.26Å; G263-M412 PolarHBondContact O-N 3.39Å; R265-M412 HydrophobicContact CG-CG 3.87Å; R265-M412 HydrophobicContact CG-SD 4.41Å; I410-M412 HydrophobicContact CG2-SD 3.85Å; M412-N414 VanDerWaalsContact C-N 3.28Å; M412-A416 HydrophobicContact CE-CB 3.86Å; M412-A416 HydrophobicContact SD-CB 3.78Å
413N91.7Very high95.5Very high114 Ų11459.2 Ų59.261%0.6131%0.31SS*.THydrogen-bonded Turntrans-71.5-28.9176.5-57.2-47.6000111.1S262 D411S262-N413 PolarHBondContact O-ND2 3.23Å; D411-N413 VanDerWaalsContact C-N 3.29Å; D411-N413 WeakPolarHBondContact OD1-CA 3.49Å; D411-N413 VanDerWaalsContact OD1-CB 3.24Å; D411-N413 WeakPolarHBondContact OD1-CB 3.24Å; D411-N413 PolarHBondContact OD1-N 3.41Å
414N88.7Confident95.6Very high95 Ų9555.6 Ų55.651%0.50829%0.291SS..THydrogen-bonded Turntrans-106.764.6177.6-167.916.6000111.9D411 M412 A416 T417D411-N414 PolarHBondContact O-N 2.95Å; D411-N414 PolarHBondContact OD1-N 2.85Å; D411-N414 WeakPolarHBondContact OD2-CB 3.43Å; M412-N414 VanDerWaalsContact C-N 3.28Å; N414-A416 VanDerWaalsContact C-N 3.25Å; N414-A416 PolarHBondContact O-N 3.27Å; N414-A416 VanDerWaalsContact O-N 3.15Å; N414-T417 WeakPolarHBondContact O-CB 3.35Å; N414-T417 PolarHBondContact O-N 3.46Å; N414-T417 VanDerWaalsContact O-N 3.09Å; N414-T417 PolarHBondContact O-OG1 3.33Å
415S88.8Confident95.7Very high115 Ų11548.5 Ų48.580%0.80427%0.265SS*.THydrogen-bonded Turntrans54.534.1175.8-54.60000115T417S415-T417 VanDerWaalsContact C-N 3.35Å; S415-T417 PolarHBondContact O-N 2.83Å
416A91.5Very high95.8Very high47 Ų4748.5 Ų48.539%0.38826%0.264SS..THydrogen-bonded Turntrans57.941.6-176.200000113.7I410 D411 M412 N414I410-A416 HydrophobicContact CG2-CB 4.21Å; D411-A416 CarbonylContact O-C 3.58Å; D411-A416 WeakPolarHBondContact O-CA 3.34Å; D411-A416 PolarHBondContact O-N 3.29Å; D411-A416 VanDerWaalsContact O-N 3.15Å; M412-A416 HydrophobicContact CE-CB 3.86Å; M412-A416 HydrophobicContact SD-CB 3.78Å; N414-A416 VanDerWaalsContact C-N 3.25Å; N414-A416 PolarHBondContact O-N 3.27Å; N414-A416 VanDerWaalsContact O-N 3.15Å
417T95.3Very high95.8Very high63 Ų6343.7 Ų43.739%0.38724%0.243SC..EExtended strand (participates in β ladder)trans-69.9132.3178.1-62.30000110.9I410 D411 N414 S415 I419I410-T417 WeakPolarHBondContact CA-O 3.13Å; D411-T417 PolarHBondContact N-O 2.93Å; D411-T417 PolarHBondContact O-N 2.96Å; N414-T417 WeakPolarHBondContact O-CB 3.35Å; N414-T417 PolarHBondContact O-N 3.46Å; N414-T417 VanDerWaalsContact O-N 3.09Å; N414-T417 PolarHBondContact O-OG1 3.33Å; S415-T417 VanDerWaalsContact C-N 3.35Å; S415-T417 PolarHBondContact O-N 2.83Å; T417-I419 PolarHBondContact O-N 3.25Å
418I96.3Very high95.6Very high46 Ų4643.5 Ų43.524%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-81115.2174.4-60.3169.3000108.8L408 I410 R421L408-I418 HydrophobicContact CD1-CG2 4.16Å; I410-I418 HydrophobicContact CG1-CG1 4.34Å; I418-R421 VanDerWaalsContact CD1-NH2 3.31Å; I418-R421 HydrophobicContact CG2-CG 3.93Å
419I96.9Very high95.2Very high89 Ų8943.5 Ų43.546%0.45624%0.243SC..EExtended strand (participates in β ladder)trans-85.3-50.2179.2-61.1175.8000110H409 D411 T417H409-I419 HydrophobicContact CB-CB 4.29Å; H409-I419 WeakPolarHBondContact CE1-CD1 3Å; H409-I419 PolarHBondContact O-N 3.44Å; D411-I419 HydrophobicContact CB-CD1 3.66Å; D411-I419 HydrophobicContact CB-CG1 4.21Å; T417-I419 PolarHBondContact O-N 3.25Å
420T97.5Very high94.2Very high27 Ų2743.8 Ų43.817%0.16625%0.246CC..EExtended strand (participates in β ladder)trans-136.1155.1178.2590000111K406 Q407 L408 H409K406-T420 HydrophobicContact CD-CG2 4.27Å; Q407-T420 PolarHBondContact O-OG1 3.24Å; L408-T420 WeakPolarHBondContact CA-O 3.13Å; H409-T420 WeakPolarHBondContact CB-OG1 3.32Å; H409-T420 PolarHBondContact N-O 2.92Å; H409-T420 PolarHBondContact O-N 2.92Å
421R97.7Very high93.2Very high113 Ų11343.7 Ų43.743%0.42625%0.245SC..  trans-118.5146.2171-71.2-178171.580.3-2.7109D144 Q407 L408 I418 T423D144-R421 IonicContact OD1-CZ 3.33Å; D144-R421 VanDerWaalsContact OD1-CZ 3.22Å; D144-R421 IonicContact OD1-NE 3.69Å; D144-R421 PolarHBondContact OD1-NE 3.47Å; D144-R421 IonicContact OD1-NH2 3.89Å; D144-R421 PolarHBondContact OD1-NH2 3.5Å; D144-R421 IonicContact OD2-NE 3.58Å; Q407-R421 CarbonylContact O-C 3.5Å; L408-R421 HydrophobicContact CD1-CG 4.28Å; I418-R421 VanDerWaalsContact CD1-NH2 3.31Å; I418-R421 HydrophobicContact CG2-CG 3.93Å; R421-T423 PolarHBondContact O-N 3.45Å
422Q98Very high91.6Very high9 Ų943.9 Ų43.94%0.04225%0.246CC..  trans-71.4120.8168-170.9168.62.100109.3Q140 V269 S405 G424Q140-Q422 PolarHBondContact NE2-O 3.11Å; V269-Q422 PolarHBondContact O-NE2 2.94Å; S405-Q422 CarbonylContact O-C 3.6Å; S405-Q422 WeakPolarHBondContact O-CA 3.32Å; Q422-G424 WeakPolarHBondContact CG-O 3.29Å; Q422-G424 PolarHBondContact NE2-O 2.91Å
423T97.4Very high89.9Confident79 Ų7942.3 Ų42.349%0.48524%0.241SC..  trans-106.5-0.9-176.657.40000113.4G339 R340 S405 R421G339-T423 WeakPolarHBondContact CA-O 3.37Å; R340-T423 PolarHBondContact N-O 3.36Å; S405-T423 PolarHBondContact O-N 3.43Å; S405-T423 PolarHBondContact O-OG1 3.47Å; R421-T423 PolarHBondContact O-N 3.45Å
424G97.4Very high88.7Confident0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-160.6157.6174.600000112.9Y338 R340 S405 Q422Y338-G424 WeakPolarHBondContact O-CA 3.32Å; R340-G424 CarbonylContact O-C 3.58Å; R340-G424 WeakPolarHBondContact O-CA 3.24Å; S405-G424 WeakPolarHBondContact CB-O 3.33Å; Q422-G424 WeakPolarHBondContact CG-O 3.29Å; Q422-G424 PolarHBondContact NE2-O 2.91Å
425T98Very high87.9Confident3 Ų333.3 Ų33.32%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-126.5153.9178.562.40000111.9V269 Y338 R340 Q341 T342V269-T425 HydrophobicContact CB-CG2 4.41Å; V269-T425 HydrophobicContact CG1-CG2 4.46Å; V269-T425 WeakPolarHBondContact O-CG2 2.95Å; Y338-T425 HydrophobicContact CD1-CG2 3.89Å; Y338-T425 HydrophobicContact CG-CG2 4.36Å; R340-T425 PolarHBondContact O-N 2.92Å; Q341-T425 PolarHBondContact NE2-OG1 3.4Å; Q341-T425 PolarHBondContact OE1-OG1 3.16Å; T342-T425 PolarHBondContact N-O 3.43Å
426F98Very high87.6Confident1 Ų128 Ų280%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-88.8127.9171.1-64.9-89.2000109.4F268 L271 T342 I344 L398 E401 L402 L444F268-F426 HydrophobicContact CE2-CD2 4.38Å; F268-F426 HydrophobicContact CE2-CE2 4.36Å; F268-F426 AromaticContact CZ-CD2 3.94Å; F268-F426 HydrophobicContact CZ-CD2 3.94Å; F268-F426 HydrophobicContact CZ-CE2 4.1Å; L271-F426 PolarHBondContact N-O 2.92Å; T342-F426 HydrophobicContact CG2-CD1 3.73Å; T342-F426 HydrophobicContact CG2-CE1 3.77Å; T342-F426 CarbonylContact O-C 3.56Å; T342-F426 WeakPolarHBondContact O-CA 3.48Å; I344-F426 HydrophobicContact CD1-CB 4.04Å; I344-F426 HydrophobicContact CD1-CD1 3.85Å; I344-F426 HydrophobicContact CD1-CG 4.33Å; I344-F426 HydrophobicContact CG1-CD1 4.32Å; L398-F426 HydrophobicContact CB-CE1 4.14Å; L398-F426 HydrophobicContact CD2-CD1 4.33Å; L398-F426 HydrophobicContact CD2-CE1 4.02Å; E401-F426 HydrophobicContact CB-CE1 4Å; E401-F426 HydrophobicContact CB-CZ 3.96Å; L402-F426 HydrophobicContact CB-CE2 3.95Å; L402-F426 HydrophobicContact CB-CZ 3.82Å; L402-F426 HydrophobicContact CG-CE2 4.42Å; F426-L444 HydrophobicContact CB-CD1 4.08Å; F426-L444 HydrophobicContact CD1-CD1 3.98Å; F426-L444 HydrophobicContact CD2-CD1 4.16Å; F426-L444 HydrophobicContact CE1-CD1 4.44Å; F426-L444 HydrophobicContact CE1-CD2 4.45Å; F426-L444 HydrophobicContact CG-CD1 3.8Å; F426-L444 HydrophobicContact CZ-CD2 4.33Å
427R96.6Very high87.4Confident4 Ų426.1 Ų26.12%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-111.4106.6175.3-177.3-178.2-175.1-32.29.5109.7C249 L271 G273 S274 H328 T342 I343 I344 N429C249-R427 PolarHBondContact SG-NH2 2.87Å; C249-R427 VanDerWaalsContact SG-NH2 3.4Å; L271-R427 HydrophobicContact CB-CB 4.26Å; L271-R427 HydrophobicContact CB-CG 4.24Å; L271-R427 WeakPolarHBondContact O-CA 3.19Å; G273-R427 PolarHBondContact O-NH1 3.47Å; S274-R427 PolarHBondContact O-NH2 3.02Å; H328-R427 PolarHBondContact NE2-NE 3.35Å; H328-R427 VanDerWaalsContact NE2-NE 3.11Å; H328-R427 PolarHBondContact NE2-NH2 3.26Å; T342-R427 PolarHBondContact O-N 3.09Å; I343-R427 WeakPolarHBondContact CA-O 3.48Å; I344-R427 PolarHBondContact N-O 2.82Å; R427-N429 VanDerWaalsContact NH1-CG 3.3Å; R427-N429 PolarHBondContact NH1-ND2 3.29Å; R427-N429 PolarHBondContact NH1-OD1 2.79Å
428S94Very high87.2Confident2 Ų223.2 Ų23.21%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-90138.5178.764.60000112.2L271 R272 G273 I344L271-S428 PolarHBondContact O-N 3.07Å; L271-S428 PolarHBondContact O-OG 2.7Å; R272-S428 WeakPolarHBondContact CA-O 3.4Å; R272-S428 WeakPolarHBondContact CB-OG 3.39Å; G273-S428 PolarHBondContact N-O 3.01Å; I344-S428 WeakPolarHBondContact O-CA 3.4Å
429N89.3Confident86.8Confident0 Ų021.2 Ų21.20%011%0.11CC..EExtended strand (participates in β ladder)trans-125.4139.3179.5-71.8102.3000110.9G273 S274 V275 I344 L346 Y360 R427G273-N429 PolarHBondContact O-ND2 2.96Å; S274-N429 PolarHBondContact O-ND2 3.13Å; S274-N429 VanDerWaalsContact O-ND2 3.1Å; V275-N429 WeakPolarHBondContact CA-ND2 3.3Å; V275-N429 HydrophobicContact CG2-CB 4.49Å; I344-N429 PolarHBondContact O-N 3.21Å; L346-N429 WeakPolarHBondContact CB-O 3.46Å; L346-N429 PolarHBondContact N-O 3.25Å; Y360-N429 HydrophobicContact CE1-CB 4.43Å; Y360-N429 PolarHBondContact OH-OD1 2.81Å; Y360-N429 VanDerWaalsContact OH-OD1 3.07Å; R427-N429 VanDerWaalsContact NH1-CG 3.3Å; R427-N429 PolarHBondContact NH1-ND2 3.29Å; R427-N429 PolarHBondContact NH1-OD1 2.79Å
430C78.6Confident86.6Confident15 Ų1517.1 Ų17.110%0.1019%0.09CC..  trans-150155.5168.8-1750000109.2R436 T437C430-R436 PolarHBondContact SG-NE 3.05Å; C430-R436 PolarHBondContact SG-NH2 3.45Å; C430-T437 HydrophobicContact CB-CG2 3.75Å
431I74.8Confident86.4Confident6 Ų615.9 Ų15.93%0.0318%0.082CC..SBendtrans-69.2-44177.6-163165.5000111.8R241 W279 V291 L347 E353 L356R241-I431 PolarHBondContact NH1-O 2.84Å; W279-I431 HydrophobicContact CH2-CD1 4.34Å; W279-I431 HydrophobicContact CH2-CG1 3.65Å; W279-I431 HydrophobicContact CZ3-CD1 4.19Å; W279-I431 HydrophobicContact CZ3-CG1 3.98Å; V291-I431 HydrophobicContact CG2-CD1 3.62Å; L347-I431 HydrophobicContact CD2-CB 3.65Å; L347-I431 HydrophobicContact CD2-CG2 4.39Å; E353-I431 HydrophobicContact CG-CB 4.18Å; E353-I431 HydrophobicContact CG-CD1 3.75Å; E353-I431 HydrophobicContact CG-CG2 3.86Å; E353-I431 VanDerWaalsContact OE1-CG2 3.3Å; E353-I431 WeakPolarHBondContact OE1-CG2 3.36Å; L356-I431 HydrophobicContact CD2-CD1 4.26Å; L356-I431 HydrophobicContact CD2-CG1 4.43Å
432D62.4Low86.3Confident32 Ų3211.1 Ų11.117%0.1717%0.066CC..SBendtrans-137.8-48-162.5-84.6-31.8000114.4R237 R241 L434R237-D432 IonicContact CZ-OD1 2.79Å; R237-D432 IonicContact NE-OD1 3.92Å; R237-D432 PolarHBondContact NE-OD1 3.25Å; R237-D432 IonicContact NH2-OD1 2.77Å; R237-D432 PolarHBondContact NH2-OD1 2.77Å; R237-D432 VanDerWaalsContact NH2-OD1 3.12Å; R237-D432 IonicContact NH2-OD2 3.73Å; R237-D432 PolarHBondContact NH2-OD2 3.49Å; R241-D432 IonicContact CZ-OD1 3.54Å; R241-D432 IonicContact NH1-OD1 3.22Å; R241-D432 PolarHBondContact NH1-OD1 2.63Å; R241-D432 IonicContact NH2-OD1 3.37Å; R241-D432 PolarHBondContact NH2-OD1 2.75Å; D432-L434 PolarHBondContact O-N 2.86Å
433C60Low86.1Confident28 Ų2811.5 Ų11.519%0.1897%0.068CC..  trans-100.3103.2-165.252.40000110.7D435 R436C433-D435 HydrophobicContact CB-CB 4.2Å; C433-D435 PolarHBondContact O-N 2.84Å; C433-R436 PolarHBondContact O-N 2.86Å; C433-R436 VanDerWaalsContact SG-CG 3.59Å; C433-R436 PolarHBondContact SG-NE 2.65Å
434L66.8Low86Confident11 Ų117.7 Ų7.76%0.0585%0.045CC..Hα-helixtrans-43.6-30.5165.1-104.790.6000112.6D432 R436 T437 N438 C497 Y501D432-L434 PolarHBondContact O-N 2.86Å; L434-R436 PolarHBondContact O-N 2.9Å; L434-T437 WeakPolarHBondContact CA-OG1 3.35Å; L434-T437 PolarHBondContact O-N 3.48Å; L434-T437 PolarHBondContact O-OG1 3.01Å; L434-N438 WeakPolarHBondContact O-CB 3.39Å; L434-N438 PolarHBondContact O-N 2.7Å; L434-C497 HydrophobicContact CD2-CB 3.21Å; L434-Y501 HydrophobicContact CD1-CD1 4.14Å
435D70.5Confident86Confident10 Ų107.7 Ų7.75%0.0535%0.045CC..Hα-helixtrans-48.2-54.1173.8-66.4-38.3000113.5C433 T437 N438 V439 A506 L507 K508C433-D435 HydrophobicContact CB-CB 4.2Å; C433-D435 PolarHBondContact O-N 2.84Å; D435-T437 PolarHBondContact O-N 2.92Å; D435-N438 PolarHBondContact O-N 3.02Å; D435-V439 WeakPolarHBondContact O-CG2 3.36Å; D435-V439 PolarHBondContact O-N 2.86Å; D435-A506 WeakPolarHBondContact OD1-CB 3.2Å; D435-L507 PolarHBondContact OD1-N 2.94Å; D435-L507 PolarHBondContact OD2-N 3.14Å; D435-K508 HydrophobicContact CB-CB 3.77Å; D435-K508 HydrophobicContact CB-CD 4.04Å; D435-K508 HydrophobicContact CB-CG 3.92Å; D435-K508 PolarHBondContact OD1-N 3.41Å; D435-K508 PolarHBondContact OD2-N 2.79Å; D435-K508 VanDerWaalsContact OD2-N 3.11Å
436R82.4Confident85.9Confident3 Ų37.9 Ų7.91%0.0115%0.045CC..Hα-helixtrans-62-47.3-176.2-74.3-169.3-80.2-171.7-14.7110.8L346 D348 E353 F379 H380 C430 C433 L434 V440L346-R436 HydrophobicContact CD1-CB 4Å; L346-R436 PolarHBondContact O-NH1 3.25Å; D348-R436 IonicContact OD1-CZ 2.65Å; D348-R436 IonicContact OD1-NH1 3.89Å; D348-R436 PolarHBondContact OD1-NH1 2.82Å; E353-R436 IonicContact OE2-CZ 3.99Å; E353-R436 IonicContact OE2-NH1 3.86Å; E353-R436 IonicContact OE2-NH2 3.74Å; E353-R436 PolarHBondContact OE2-NH2 2.73Å; E353-R436 VanDerWaalsContact OE2-NH2 3.17Å; F379-R436 HydrophobicContact CB-CG 4.39Å; F379-R436 HydrophobicContact CD1-CG 3.57Å; F379-R436 HydrophobicContact CD2-CB 4.29Å; F379-R436 HydrophobicContact CD2-CG 4.16Å; F379-R436 HydrophobicContact CE1-CG 3.74Å; F379-R436 HydrophobicContact CE2-CB 4.33Å; F379-R436 HydrophobicContact CE2-CG 4.29Å; F379-R436 HydrophobicContact CG-CB 4.36Å; F379-R436 HydrophobicContact CG-CG 3.78Å; F379-R436 HydrophobicContact CZ-CB 4.46Å; F379-R436 HydrophobicContact CZ-CG 4.07Å; H380-R436 PolarHBondContact ND1-NH1 2.87Å; H380-R436 VanDerWaalsContact ND1-NH1 3.2Å; C430-R436 PolarHBondContact SG-NE 3.05Å; C430-R436 PolarHBondContact SG-NH2 3.45Å; C433-R436 PolarHBondContact O-N 2.86Å; C433-R436 VanDerWaalsContact SG-CG 3.59Å; C433-R436 PolarHBondContact SG-NE 2.65Å; L434-R436 PolarHBondContact O-N 2.9Å; R436-V440 PolarHBondContact O-N 3.15Å
437T88.4Confident85.8Confident7 Ų77.9 Ų7.94%0.0435%0.046CC..Hα-helixtrans-64.4-41.2178.548.80000111.5L346 C430 L434 D435 V440 Q441L346-T437 HydrophobicContact CD1-CG2 4.23Å; C430-T437 HydrophobicContact CB-CG2 3.75Å; L434-T437 WeakPolarHBondContact CA-OG1 3.35Å; L434-T437 PolarHBondContact O-N 3.48Å; L434-T437 PolarHBondContact O-OG1 3.01Å; D435-T437 PolarHBondContact O-N 2.92Å; T437-V440 PolarHBondContact O-N 2.64Å; T437-Q441 VanDerWaalsContact O-CB 3.3Å; T437-Q441 WeakPolarHBondContact O-CB 3.28Å; T437-Q441 WeakPolarHBondContact O-CG 3.49Å; T437-Q441 PolarHBondContact O-N 3.41Å
438N90.9Very high85.9Confident2 Ų27.8 Ų7.81%0.0115%0.045CC..Hα-helixtrans-68.9-37.4-177.8-16985.5000112L434 D435 S442 W490 N493 A494L434-N438 WeakPolarHBondContact O-CB 3.39Å; L434-N438 PolarHBondContact O-N 2.7Å; D435-N438 PolarHBondContact O-N 3.02Å; N438-S442 VanDerWaalsContact O-CB 3.23Å; N438-S442 WeakPolarHBondContact O-CB 2.96Å; N438-S442 PolarHBondContact O-N 2.97Å; N438-S442 PolarHBondContact O-OG 2.85Å; N438-W490 PolarHBondContact ND2-O 2.84Å; N438-W490 PolarHBondContact OD1-O 3.41Å; N438-N493 PolarHBondContact OD1-ND2 3.46Å; N438-A494 HydrophobicContact CB-CB 4.01Å
439V88Confident86Confident4 Ų47.7 Ų7.72%0.0245%0.045CC..Hα-helixtrans-59.3-54.2173.5169.70000110.2L391 D435 Q441 S442 M443 F511L391-V439 HydrophobicContact CD1-CG1 3.8Å; D435-V439 WeakPolarHBondContact O-CG2 3.36Å; D435-V439 PolarHBondContact O-N 2.86Å; V439-Q441 PolarHBondContact O-N 3.03Å; V439-S442 PolarHBondContact O-N 3.09Å; V439-S442 PolarHBondContact O-OG 3.46Å; V439-M443 HydrophobicContact CG1-SD 3.97Å; V439-M443 WeakPolarHBondContact O-CG 3.24Å; V439-M443 PolarHBondContact O-N 3.15Å; V439-F511 HydrophobicContact CG1-CE1 4.46Å; V439-F511 HydrophobicContact CG2-CD1 4.23Å
440V91.1Very high86.3Confident3 Ų37.7 Ų7.72%0.0185%0.045CC..Hα-helixtrans-62.9-43.4-179.11780000111.7I344 L346 F379 L394 L398 R436 T437 S442 M443 L444I344-V440 HydrophobicContact CD1-CG1 3.95Å; I344-V440 HydrophobicContact CG2-CG1 4.35Å; L346-V440 HydrophobicContact CD1-CB 4.36Å; L346-V440 HydrophobicContact CD1-CG2 3.81Å; L346-V440 HydrophobicContact CD2-CG2 4.18Å; F379-V440 HydrophobicContact CE2-CG2 4.3Å; L394-V440 HydrophobicContact CD2-CG1 4.11Å; L394-V440 HydrophobicContact CD2-CG2 3.97Å; L398-V440 HydrophobicContact CD1-CG1 4.3Å; R436-V440 PolarHBondContact O-N 3.15Å; T437-V440 PolarHBondContact O-N 2.64Å; V440-S442 VanDerWaalsContact C-N 3.32Å; V440-S442 PolarHBondContact O-N 2.9Å; V440-M443 PolarHBondContact O-N 3.17Å; V440-L444 HydrophobicContact CG1-CD1 4.21Å; V440-L444 PolarHBondContact O-N 3.2Å
441Q94.9Very high87.2Confident1 Ų18.7 Ų8.71%0.0055%0.048CC..Hα-helixtrans-60.4-41.8175.9-74-177.8-47.700111.7Q270 L271 T437 V439 M443 L444 S445 W490Q270-Q441 PolarHBondContact NE2-O 3.23Å; L271-Q441 PolarHBondContact O-NE2 3.33Å; T437-Q441 VanDerWaalsContact O-CB 3.3Å; T437-Q441 WeakPolarHBondContact O-CB 3.28Å; T437-Q441 WeakPolarHBondContact O-CG 3.49Å; T437-Q441 PolarHBondContact O-N 3.41Å; V439-Q441 PolarHBondContact O-N 3.03Å; Q441-M443 VanDerWaalsContact C-N 3.34Å; Q441-M443 PolarHBondContact O-N 2.92Å; Q441-L444 PolarHBondContact O-N 2.89Å; Q441-S445 VanDerWaalsContact O-CB 3.24Å; Q441-S445 WeakPolarHBondContact O-CB 3.47Å; Q441-S445 PolarHBondContact O-N 2.91Å; Q441-S445 PolarHBondContact O-OG 3.33Å; Q441-W490 HydrophobicContact CB-CH2 3.84Å; Q441-W490 HydrophobicContact CB-CZ3 3.61Å
442S94.9Very high88.2Confident14 Ų148.4 Ų8.410%0.0985%0.046CC..Hα-helixtrans-64.5-37.617874.40000112.6N438 V439 V440 S445 W446 F486N438-S442 VanDerWaalsContact O-CB 3.23Å; N438-S442 WeakPolarHBondContact O-CB 2.96Å; N438-S442 PolarHBondContact O-N 2.97Å; N438-S442 PolarHBondContact O-OG 2.85Å; V439-S442 PolarHBondContact O-N 3.09Å; V439-S442 PolarHBondContact O-OG 3.46Å; V440-S442 VanDerWaalsContact C-N 3.32Å; V440-S442 PolarHBondContact O-N 2.9Å; S442-S445 PolarHBondContact O-N 3.31Å; S442-W446 PolarHBondContact O-N 3.37Å; S442-F486 WeakPolarHBondContact O-CZ 3.43Å
443M93.6Very high89.7Confident16 Ų166.9 Ų6.98%0.0794%0.038CC..Hα-helixtrans-67.4-47.5177.2-68.4172.356.900111.4L391 L395 V439 V440 Q441 S445 W446 C447 A467L391-M443 HydrophobicContact CB-CE 3.57Å; L391-M443 HydrophobicContact CB-SD 3.98Å; L391-M443 HydrophobicContact CD1-CE 4.37Å; L391-M443 HydrophobicContact CD1-SD 3.65Å; L391-M443 HydrophobicContact CG-SD 4.37Å; L395-M443 HydrophobicContact CD1-CE 3.34Å; L395-M443 HydrophobicContact CD2-CB 4.19Å; L395-M443 HydrophobicContact CD2-CE 4.1Å; L395-M443 HydrophobicContact CG-CE 3.59Å; V439-M443 HydrophobicContact CG1-SD 3.97Å; V439-M443 WeakPolarHBondContact O-CG 3.24Å; V439-M443 PolarHBondContact O-N 3.15Å; V440-M443 PolarHBondContact O-N 3.17Å; Q441-M443 VanDerWaalsContact C-N 3.34Å; Q441-M443 PolarHBondContact O-N 2.92Å; M443-S445 VanDerWaalsContact C-N 3.26Å; M443-S445 PolarHBondContact O-N 3.33Å; M443-W446 WeakPolarHBondContact O-CB 3.29Å; M443-W446 PolarHBondContact O-N 2.72Å; M443-W446 VanDerWaalsContact O-N 3.16Å; M443-C447 PolarHBondContact O-N 2.91Å; M443-C447 PolarHBondContact O-SG 2.73Å; M443-C447 VanDerWaalsContact O-SG 3.34Å; M443-A467 HydrophobicContact CE-CB 3.73Å; M443-A467 HydrophobicContact SD-CB 4.1Å
444L95.9Very high91.4Very high0 Ų07.3 Ų7.30%04%0.038CC..Hα-helixtrans-60.3-38.6174.5-72.5171.8000112.1F268 I344 L395 L398 L402 F426 V440 Q441 C447 A448F268-L444 HydrophobicContact CE1-CB 4.37Å; I344-L444 HydrophobicContact CD1-CD1 3.69Å; L395-L444 HydrophobicContact CD2-CD2 4.21Å; L398-L444 HydrophobicContact CB-CD2 3.81Å; L398-L444 HydrophobicContact CD1-CD1 4.19Å; L398-L444 HydrophobicContact CD1-CD2 4.07Å; L398-L444 HydrophobicContact CD1-CG 4.43Å; L402-L444 HydrophobicContact CD1-CD2 4.21Å; L402-L444 WeakPolarHBondContact CD1-O 3.44Å; F426-L444 HydrophobicContact CB-CD1 4.08Å; F426-L444 HydrophobicContact CD1-CD1 3.98Å; F426-L444 HydrophobicContact CD2-CD1 4.16Å; F426-L444 HydrophobicContact CE1-CD1 4.44Å; F426-L444 HydrophobicContact CE1-CD2 4.45Å; F426-L444 HydrophobicContact CG-CD1 3.8Å; F426-L444 HydrophobicContact CZ-CD2 4.33Å; V440-L444 HydrophobicContact CG1-CD1 4.21Å; V440-L444 PolarHBondContact O-N 3.2Å; Q441-L444 PolarHBondContact O-N 2.89Å; L444-C447 WeakPolarHBondContact O-CB 3.49Å; L444-C447 PolarHBondContact O-N 2.92Å; L444-A448 WeakPolarHBondContact O-CB 3.43Å; L444-A448 PolarHBondContact O-N 3.4Å
445S97Very high92.7Very high0 Ų010.2 Ų10.20%05%0.052CC..Hα-helixtrans-64.9-37.9175.7-95.50000113Q257 Q270 Q441 S442 M443 A448 L449 W490Q257-S445 PolarHBondContact NE2-O 3.49Å; Q257-S445 PolarHBondContact OE1-O 2.79Å; Q257-S445 PolarHBondContact OE1-OG 2.93Å; Q270-S445 PolarHBondContact NE2-OG 3.33Å; Q441-S445 VanDerWaalsContact O-CB 3.24Å; Q441-S445 WeakPolarHBondContact O-CB 3.47Å; Q441-S445 PolarHBondContact O-N 2.91Å; Q441-S445 PolarHBondContact O-OG 3.33Å; S442-S445 PolarHBondContact O-N 3.31Å; M443-S445 VanDerWaalsContact C-N 3.26Å; M443-S445 PolarHBondContact O-N 3.33Å; S445-A448 PolarHBondContact O-N 2.98Å; S445-L449 WeakPolarHBondContact O-CB 3.41Å; S445-L449 PolarHBondContact O-N 3.41Å; S445-W490 VanDerWaalsContact CB-CZ2 3.4Å; S445-W490 WeakPolarHBondContact OG-CZ2 3.47Å
446W96.3Very high93.7Very high6 Ų611.5 Ų11.52%0.0236%0.058CC..Hα-helixtrans-64.9-44.1171.4-171.7-90.6000111.5S442 M443 A448 L449 E450 S470 S473 L475 F482 F486S442-W446 PolarHBondContact O-N 3.37Å; M443-W446 WeakPolarHBondContact O-CB 3.29Å; M443-W446 PolarHBondContact O-N 2.72Å; M443-W446 VanDerWaalsContact O-N 3.16Å; W446-A448 VanDerWaalsContact C-N 3.33Å; W446-A448 PolarHBondContact O-N 3.39Å; W446-L449 HydrophobicContact CE3-CD2 4.33Å; W446-L449 HydrophobicContact CZ3-CD2 4.32Å; W446-L449 WeakPolarHBondContact O-CB 3.5Å; W446-L449 PolarHBondContact O-N 3.32Å; W446-L449 VanDerWaalsContact O-N 3.14Å; W446-E450 VanDerWaalsContact NE1-CD 3.35Å; W446-E450 PolarHBondContact NE1-OE1 3.38Å; W446-E450 PolarHBondContact O-N 3.22Å; W446-S470 VanDerWaalsContact CE2-CA 3.44Å; W446-S470 VanDerWaalsContact CZ2-CA 3.49Å; W446-S473 PolarHBondContact NE1-OG 3.37Å; W446-L475 HydrophobicContact CH2-CD2 4.2Å; W446-L475 HydrophobicContact CH2-CG 4.42Å; W446-L475 HydrophobicContact CZ2-CB 4.03Å; W446-L475 HydrophobicContact CZ2-CD2 3.79Å; W446-L475 HydrophobicContact CZ2-CG 4.03Å; W446-F482 HydrophobicContact CH2-CD1 4.01Å; W446-F482 HydrophobicContact CH2-CE1 4.22Å; W446-F482 AromaticContact CZ3-CD1 3.95Å; W446-F482 HydrophobicContact CZ3-CD1 3.95Å; W446-F482 AromaticContact CZ3-CE1 3.8Å; W446-F482 HydrophobicContact CZ3-CE1 3.8Å; W446-F486 HydrophobicContact CB-CE1 4.26Å; W446-F486 HydrophobicContact CB-CZ 4.03Å; W446-F486 HydrophobicContact CE3-CB 4.44Å; W446-F486 AromaticContact CE3-CD1 3.67Å; W446-F486 HydrophobicContact CE3-CD1 3.67Å; W446-F486 AromaticContact CE3-CD2 3.89Å; W446-F486 HydrophobicContact CE3-CD2 3.89Å; W446-F486 AromaticContact CE3-CE1 3.78Å; W446-F486 HydrophobicContact CE3-CE1 3.78Å; W446-F486 AromaticContact CE3-CE2 3.96Å; W446-F486 HydrophobicContact CE3-CE2 3.96Å; W446-F486 AromaticContact CE3-CG 3.74Å; W446-F486 HydrophobicContact CE3-CG 3.74Å; W446-F486 AromaticContact CE3-CZ 3.92Å; W446-F486 HydrophobicContact CE3-CZ 3.92Å; W446-F486 HydrophobicContact CZ3-CB 4.01Å; W446-F486 HydrophobicContact CZ3-CD1 4.06Å; W446-F486 HydrophobicContact CZ3-CD2 4.11Å; W446-F486 AromaticContact CZ3-CG 3.81Å; W446-F486 HydrophobicContact CZ3-CG 3.81Å
447C96.5Very high94.2Very high2 Ų214.2 Ų14.21%0.0149%0.087CC..Hα-helixtrans-58.4-43174.8-69.10000112.5L402 M443 L444 L449 E450 Q451 V463L402-C447 HydrophobicContact CD1-CB 3.86Å; M443-C447 PolarHBondContact O-N 2.91Å; M443-C447 PolarHBondContact O-SG 2.73Å; M443-C447 VanDerWaalsContact O-SG 3.34Å; L444-C447 WeakPolarHBondContact O-CB 3.49Å; L444-C447 PolarHBondContact O-N 2.92Å; C447-L449 VanDerWaalsContact C-N 3.33Å; C447-L449 PolarHBondContact O-N 3.39Å; C447-E450 PolarHBondContact O-N 2.65Å; C447-Q451 WeakPolarHBondContact O-CB 3.16Å; C447-Q451 PolarHBondContact O-N 2.69Å; C447-V463 VanDerWaalsContact CA-CG1 3.44Å; C447-V463 HydrophobicContact CB-CG1 3.47Å; C447-V463 VanDerWaalsContact CB-CG1 3.47Å; C447-V463 WeakPolarHBondContact O-CG1 3.46Å
448A97.4Very high94.2Very high1 Ų115.6 Ų15.61%0.0089%0.093CC..Hα-helixtrans-64.9-36.4175.800000112.4F268 L402 Q407 L444 S445 W446 Q451 A452F268-A448 HydrophobicContact CB-CB 4.12Å; F268-A448 HydrophobicContact CD1-CB 3.59Å; F268-A448 HydrophobicContact CD2-CB 4.05Å; F268-A448 HydrophobicContact CE1-CB 3.9Å; F268-A448 HydrophobicContact CE2-CB 4.35Å; F268-A448 HydrophobicContact CG-CB 3.65Å; F268-A448 HydrophobicContact CZ-CB 4.28Å; L402-A448 HydrophobicContact CD1-CB 4.22Å; Q407-A448 PolarHBondContact NE2-O 2.88Å; Q407-A448 VanDerWaalsContact NE2-O 3.13Å; Q407-A448 PolarHBondContact OE1-O 3.21Å; L444-A448 WeakPolarHBondContact O-CB 3.43Å; L444-A448 PolarHBondContact O-N 3.4Å; S445-A448 PolarHBondContact O-N 2.98Å; W446-A448 VanDerWaalsContact C-N 3.33Å; W446-A448 PolarHBondContact O-N 3.39Å; A448-Q451 PolarHBondContact O-N 3.2Å; A448-A452 PolarHBondContact O-N 3.35Å
449L96.8Very high94.2Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-65.8-45.4175.1178.465000111.5V259 S445 W446 C447 Q451 A452 M453 L475 W479 F482V259-L449 HydrophobicContact CB-CD1 4.47Å; V259-L449 HydrophobicContact CG1-CD1 4.04Å; V259-L449 HydrophobicContact CG2-CD1 3.58Å; S445-L449 WeakPolarHBondContact O-CB 3.41Å; S445-L449 PolarHBondContact O-N 3.41Å; W446-L449 HydrophobicContact CE3-CD2 4.33Å; W446-L449 HydrophobicContact CZ3-CD2 4.32Å; W446-L449 WeakPolarHBondContact O-CB 3.5Å; W446-L449 PolarHBondContact O-N 3.32Å; W446-L449 VanDerWaalsContact O-N 3.14Å; C447-L449 VanDerWaalsContact C-N 3.33Å; C447-L449 PolarHBondContact O-N 3.39Å; L449-Q451 VanDerWaalsContact C-N 3.32Å; L449-Q451 PolarHBondContact O-N 3.2Å; L449-A452 WeakPolarHBondContact O-CB 3.43Å; L449-A452 PolarHBondContact O-N 2.89Å; L449-M453 HydrophobicContact CD1-CE 4.1Å; L449-M453 WeakPolarHBondContact O-CG 3.42Å; L449-M453 PolarHBondContact O-N 3.05Å; L449-M453 VanDerWaalsContact O-N 3.08Å; L449-L475 HydrophobicContact CD2-CD2 3.77Å; L449-L475 HydrophobicContact CG-CD2 3.74Å; L449-W479 HydrophobicContact CD2-CZ3 4.39Å; L449-F482 HydrophobicContact CD2-CE1 3.57Å; L449-F482 HydrophobicContact CD2-CZ 3.99Å
450E96Very high94.2Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-61.7-42.7174.9-73.2-175.5162.600111.6W446 C447 A452 M453 I454 L459 V463 S464 S473 L475W446-E450 VanDerWaalsContact NE1-CD 3.35Å; W446-E450 PolarHBondContact NE1-OE1 3.38Å; W446-E450 PolarHBondContact O-N 3.22Å; C447-E450 PolarHBondContact O-N 2.65Å; E450-A452 VanDerWaalsContact C-N 3.32Å; E450-A452 PolarHBondContact O-N 3.03Å; E450-M453 PolarHBondContact O-N 3.19Å; E450-M453 VanDerWaalsContact O-N 3.13Å; E450-I454 WeakPolarHBondContact O-CG1 3.48Å; E450-I454 PolarHBondContact O-N 3.43Å; E450-L459 HydrophobicContact CB-CD2 4.09Å; E450-L459 HydrophobicContact CG-CD2 4.2Å; E450-V463 HydrophobicContact CB-CG1 4.28Å; E450-S464 VanDerWaalsContact CD-OG 3.31Å; E450-S464 PolarHBondContact OE1-OG 3.32Å; E450-S464 WeakPolarHBondContact OE2-CB 3.32Å; E450-S464 PolarHBondContact OE2-N 3.44Å; E450-S464 PolarHBondContact OE2-OG 2.94Å; E450-S473 WeakPolarHBondContact OE1-CB 3.47Å; E450-S473 PolarHBondContact OE1-OG 3.01Å; E450-L475 HydrophobicContact CG-CB 4.04Å; E450-L475 HydrophobicContact CG-CD2 3.66Å; E450-L475 HydrophobicContact CG-CG 4.48Å
451Q96.9Very high94.2Very high36 Ų3627.4 Ų27.417%0.16816%0.164CC..Hα-helixtrans-60-41.8175.3-178.456.528.300111.8L403 C447 A448 L449 M453 I454 E455 V463L403-Q451 HydrophobicContact CD2-CG 3.92Å; L403-Q451 VanDerWaalsContact CD2-OE1 3.3Å; C447-Q451 WeakPolarHBondContact O-CB 3.16Å; C447-Q451 PolarHBondContact O-N 2.69Å; A448-Q451 PolarHBondContact O-N 3.2Å; L449-Q451 VanDerWaalsContact C-N 3.32Å; L449-Q451 PolarHBondContact O-N 3.2Å; Q451-M453 VanDerWaalsContact C-N 3.3Å; Q451-M453 PolarHBondContact O-N 2.93Å; Q451-I454 PolarHBondContact O-N 2.96Å; Q451-E455 WeakPolarHBondContact CG-OE1 3.41Å; Q451-E455 PolarHBondContact NE2-OE1 2.99Å; Q451-E455 WeakPolarHBondContact O-CG 3.32Å; Q451-E455 PolarHBondContact O-N 3.4Å; Q451-V463 HydrophobicContact CB-CG2 3.84Å
452A96Very high94Very high0 Ų032.7 Ų32.70%020%0.197CC..Hα-helixtrans-58.6-43.6174.600000111.4F266 A448 L449 E450 I454 E455 I456F266-A452 HydrophobicContact CD1-CB 3.74Å; F266-A452 HydrophobicContact CD2-CB 3.85Å; F266-A452 HydrophobicContact CE1-CB 3.76Å; F266-A452 HydrophobicContact CE2-CB 3.89Å; F266-A452 HydrophobicContact CG-CB 3.76Å; F266-A452 HydrophobicContact CZ-CB 3.83Å; A448-A452 PolarHBondContact O-N 3.35Å; L449-A452 WeakPolarHBondContact O-CB 3.43Å; L449-A452 PolarHBondContact O-N 2.89Å; E450-A452 VanDerWaalsContact C-N 3.32Å; E450-A452 PolarHBondContact O-N 3.03Å; A452-I454 VanDerWaalsContact C-N 3.35Å; A452-E455 PolarHBondContact O-N 3.11Å; A452-I456 WeakPolarHBondContact O-CG1 3.48Å; A452-I456 PolarHBondContact O-N 3.23Å
453M94.4Very high93.9Very high0 Ų032.3 Ų32.30%019%0.194CC..Hα-helixtrans-68.8-33.6179.4-64.3-47.6102.300112.8V259 I261 L449 E450 Q451 I456 G457 I458 L459 L475 W479V259-M453 HydrophobicContact CG1-CE 4.09Å; I261-M453 HydrophobicContact CD1-SD 4.01Å; I261-M453 HydrophobicContact CG2-CE 3.98Å; L449-M453 HydrophobicContact CD1-CE 4.1Å; L449-M453 WeakPolarHBondContact O-CG 3.42Å; L449-M453 PolarHBondContact O-N 3.05Å; L449-M453 VanDerWaalsContact O-N 3.08Å; E450-M453 PolarHBondContact O-N 3.19Å; E450-M453 VanDerWaalsContact O-N 3.13Å; Q451-M453 VanDerWaalsContact C-N 3.3Å; Q451-M453 PolarHBondContact O-N 2.93Å; M453-I456 HydrophobicContact CE-CD1 4.1Å; M453-I456 HydrophobicContact SD-CD1 4.14Å; M453-G457 PolarHBondContact O-N 3.38Å; M453-I458 HydrophobicContact CB-CB 4.25Å; M453-I458 HydrophobicContact CB-CG2 4.39Å; M453-I458 PolarHBondContact O-N 3.4Å; M453-I458 HydrophobicContact SD-CB 4.42Å; M453-I458 HydrophobicContact SD-CD1 3.78Å; M453-I458 HydrophobicContact SD-CG2 4.37Å; M453-L459 HydrophobicContact CB-CB 3.77Å; M453-L459 PolarHBondContact O-N 3.08Å; M453-L459 VanDerWaalsContact O-N 3.09Å; M453-L475 HydrophobicContact CB-CD1 4.45Å; M453-L475 HydrophobicContact CG-CD1 3.75Å; M453-W479 HydrophobicContact CE-CH2 4.34Å; M453-W479 HydrophobicContact CG-CH2 3.83Å; M453-W479 HydrophobicContact CG-CZ2 4.46Å; M453-W479 HydrophobicContact SD-CH2 3.4Å; M453-W479 WeakPolarHBondContact SD-CH2 3.28Å; M453-W479 HydrophobicContact SD-CZ2 3.85Å; M453-W479 HydrophobicContact SD-CZ3 4.49Å
454I94.7Very high93.9Very high37 Ų3732.6 Ų32.619%0.1920%0.198CC..Hα-helixtrans-65.9-43.9173.2-67.2161.7000110.2E450 Q451 A452 I456 G457 L459 V463E450-I454 WeakPolarHBondContact O-CG1 3.48Å; E450-I454 PolarHBondContact O-N 3.43Å; Q451-I454 PolarHBondContact O-N 2.96Å; A452-I454 VanDerWaalsContact C-N 3.35Å; I454-I456 VanDerWaalsContact C-N 3.28Å; I454-I456 PolarHBondContact O-N 2.77Å; I454-G457 PolarHBondContact O-N 3.47Å; I454-L459 WeakPolarHBondContact CA-O 3.38Å; I454-L459 HydrophobicContact CD1-CD2 4.27Å; I454-L459 HydrophobicContact CG1-CB 3.96Å; I454-L459 HydrophobicContact CG1-CD2 3.98Å; I454-L459 HydrophobicContact CG1-CG 3.93Å; I454-V463 HydrophobicContact CD1-CG2 4.16Å
455E94.2Very high93.5Very high73 Ų7338.7 Ų38.734%0.34122%0.22SC..Hα-helixtrans-60.8-34.3-179-77.5171.1-168.600113.4Q451 A452Q451-E455 WeakPolarHBondContact CG-OE1 3.41Å; Q451-E455 PolarHBondContact NE2-OE1 2.99Å; Q451-E455 WeakPolarHBondContact O-CG 3.32Å; Q451-E455 PolarHBondContact O-N 3.4Å; A452-E455 PolarHBondContact O-N 3.11Å
456I92.7Very high93Very high37 Ų3742 Ų4219%0.1924%0.241CC..THydrogen-bonded Turntrans-95.87.2177.163-175.4000113.5I261 H264 F266 A452 M453 I454 I458I261-I456 HydrophobicContact CG2-CD1 3.72Å; H264-I456 HydrophobicContact CB-CG2 4.2Å; F266-I456 HydrophobicContact CE2-CD1 4.23Å; F266-I456 HydrophobicContact CE2-CG2 4.22Å; F266-I456 HydrophobicContact CZ-CG2 3.78Å; A452-I456 WeakPolarHBondContact O-CG1 3.48Å; A452-I456 PolarHBondContact O-N 3.23Å; M453-I456 HydrophobicContact CE-CD1 4.1Å; M453-I456 HydrophobicContact SD-CD1 4.14Å; I454-I456 VanDerWaalsContact C-N 3.28Å; I454-I456 PolarHBondContact O-N 2.77Å; I456-I458 VanDerWaalsContact C-N 3.31Å; I456-I458 HydrophobicContact CD1-CD1 3.33Å; I456-I458 HydrophobicContact CD1-CG1 4.19Å; I456-I458 HydrophobicContact CG1-CB 4.41Å; I456-I458 HydrophobicContact CG1-CD1 3.65Å; I456-I458 HydrophobicContact CG1-CG1 3.95Å; I456-I458 PolarHBondContact O-N 3.19Å
457G90.9Very high92.2Very high59 Ų5942.8 Ų42.861%0.60825%0.248SC*.THydrogen-bonded Turntrans7512.5174.100000115.6M453 I454M453-G457 PolarHBondContact O-N 3.38Å; I454-G457 PolarHBondContact O-N 3.47Å
458I89.9Confident91.6Very high36 Ų3646.3 Ų46.319%0.18527%0.267CS..SBendtrans-74.4-39.8174.4-70.9167.6000110.7L217 I261 M453 I456 L478L217-I458 HydrophobicContact CD2-CD1 3.41Å; L217-I458 VanDerWaalsContact CD2-CD1 3.41Å; L217-I458 HydrophobicContact CD2-CG1 3.71Å; L217-I458 HydrophobicContact CD2-CG2 4.03Å; I261-I458 HydrophobicContact CD1-CD1 3.66Å; I261-I458 HydrophobicContact CG1-CD1 4.33Å; M453-I458 HydrophobicContact CB-CB 4.25Å; M453-I458 HydrophobicContact CB-CG2 4.39Å; M453-I458 PolarHBondContact O-N 3.4Å; M453-I458 HydrophobicContact SD-CB 4.42Å; M453-I458 HydrophobicContact SD-CD1 3.78Å; M453-I458 HydrophobicContact SD-CG2 4.37Å; I456-I458 VanDerWaalsContact C-N 3.31Å; I456-I458 HydrophobicContact CD1-CD1 3.33Å; I456-I458 HydrophobicContact CD1-CG1 4.19Å; I456-I458 HydrophobicContact CG1-CB 4.41Å; I456-I458 HydrophobicContact CG1-CD1 3.65Å; I456-I458 HydrophobicContact CG1-CG1 3.95Å; I456-I458 PolarHBondContact O-N 3.19Å; I458-L478 HydrophobicContact CG2-CD2 3.36Å
459L90.7Very high91Very high19 Ų1946.4 Ų46.410%0.09927%0.268CS..SBendtrans-110.6143.5177.5-178.162.8000109.7E450 M453 I454 P474 L475E450-L459 HydrophobicContact CB-CD2 4.09Å; E450-L459 HydrophobicContact CG-CD2 4.2Å; M453-L459 HydrophobicContact CB-CB 3.77Å; M453-L459 PolarHBondContact O-N 3.08Å; M453-L459 VanDerWaalsContact O-N 3.09Å; I454-L459 WeakPolarHBondContact CA-O 3.38Å; I454-L459 HydrophobicContact CD1-CD2 4.27Å; I454-L459 HydrophobicContact CG1-CB 3.96Å; I454-L459 HydrophobicContact CG1-CD2 3.98Å; I454-L459 HydrophobicContact CG1-CG 3.93Å; L459-P474 HydrophobicContact CD1-CB 3.7Å; L459-L475 HydrophobicContact CD2-CB 4.48Å
460Q88.5Confident90.5Very high181 Ų18147 Ų4785%0.84627%0.272SS*.  trans-107.7152.4173.4-64.7-175.4000110.8
461G90.4Very high90Very high58 Ų5849.4 Ų49.460%0.59829%0.287SS*.SBendtrans97.4-146.6175.600000113.3
462T91.4Very high89.6Confident111 Ų11150.8 Ų50.868%0.68130%0.298SS*.  trans-117.1156.5-178.260.70000111.2
463V92.8Very high89.3Confident6 Ų651 Ų514%0.03630%0.299CS..  trans-53.4138.9174.3-175.80000112.1C447 E450 Q451 I454C447-V463 VanDerWaalsContact CA-CG1 3.44Å; C447-V463 HydrophobicContact CB-CG1 3.47Å; C447-V463 VanDerWaalsContact CB-CG1 3.47Å; C447-V463 WeakPolarHBondContact O-CG1 3.46Å; E450-V463 HydrophobicContact CB-CG1 4.28Å; Q451-V463 HydrophobicContact CB-CG2 3.84Å; I454-V463 HydrophobicContact CD1-CG2 4.16Å
464S91.6Very high89Confident23 Ų2354.7 Ų54.716%0.16132%0.323CS..  trans-66.3141.8178.3-53.60000111.3E450 S473E450-S464 VanDerWaalsContact CD-OG 3.31Å; E450-S464 PolarHBondContact OE1-OG 3.32Å; E450-S464 WeakPolarHBondContact OE2-CB 3.32Å; E450-S464 PolarHBondContact OE2-N 3.44Å; E450-S464 PolarHBondContact OE2-OG 2.94Å; S464-S473 VanDerWaalsContact OG-CB 3.27Å; S464-S473 WeakPolarHBondContact OG-CB 3.34Å
465R88.6Confident88.8Confident127 Ų12752.9 Ų52.948%0.47931%0.314SS..  trans-110.213.7-178.8-47.5-164.9-175.6128.53.9113.7G392 I399G392-R465 WeakPolarHBondContact CA-O 3.32Å; I399-R465 HydrophobicContact CD1-CB 4.17Å; I399-R465 HydrophobicContact CD1-CG 3.66Å
466T85.5Confident88.5Confident71 Ų7150 Ų5044%0.43630%0.301SS..SBendtrans-105.7149.4-178.168.50000111.5D468 A469T466-D468 WeakPolarHBondContact CB-OD1 3.48Å; T466-D468 PolarHBondContact O-N 3.03Å; T466-D468 PolarHBondContact OG1-OD1 3.1Å; T466-A469 WeakPolarHBondContact O-CB 3.27Å; T466-A469 PolarHBondContact O-N 3.41Å; T466-A469 PolarHBondContact OG1-N 3.15Å
467A80Confident88.2Confident21 Ų2154.5 Ų54.517%0.17432%0.322CS..THydrogen-bonded Turntrans-68.7-24.3-179.100000113.6L391 M443L391-A467 HydrophobicContact CB-CB 4.11Å; L391-A467 HydrophobicContact CD1-CB 4.39Å; M443-A467 HydrophobicContact CE-CB 3.73Å; M443-A467 HydrophobicContact SD-CB 4.1Å
468D84Confident88Confident77 Ų7753.2 Ų53.241%0.41230%0.301SS..THydrogen-bonded Turntrans-95.56.4-178.965.8-14.7000113.6T466 S470 T471 T472T466-D468 WeakPolarHBondContact CB-OD1 3.48Å; T466-D468 PolarHBondContact O-N 3.03Å; T466-D468 PolarHBondContact OG1-OD1 3.1Å; D468-S470 PolarHBondContact O-N 3.5Å; D468-T471 PolarHBondContact O-N 3.5Å; D468-T471 PolarHBondContact O-OG1 3.34Å; D468-T472 HydrophobicContact CB-CG2 4.34Å; D468-T472 PolarHBondContact O-N 2.81Å; D468-T472 PolarHBondContact O-OG1 2.81Å; D468-T472 VanDerWaalsContact O-OG1 3.1Å; D468-T472 PolarHBondContact OD1-OG1 2.91Å; D468-T472 WeakPolarHBondContact OD2-CG2 3.2Å
469A85.8Confident87.9Confident3 Ų351.5 Ų51.53%0.02529%0.292CS..Hα-helixtrans-50.2-33.5-176.800000113.4T466 T471 T472 S473T466-A469 WeakPolarHBondContact O-CB 3.27Å; T466-A469 PolarHBondContact O-N 3.41Å; T466-A469 PolarHBondContact OG1-N 3.15Å; A469-T471 PolarHBondContact O-N 3.27Å; A469-T472 PolarHBondContact O-N 2.96Å; A469-S473 WeakPolarHBondContact O-CB 3.35Å; A469-S473 PolarHBondContact O-N 3.16Å; A469-S473 PolarHBondContact O-OG 3.37Å; A469-S473 VanDerWaalsContact O-OG 3.04Å
470S85.5Confident87.7Confident12 Ų1254.6 Ų54.68%0.08431%0.313CS..Hα-helixtrans-58.6-13.3174.151.10000115.2W446 D468 S476 G483 K487W446-S470 VanDerWaalsContact CE2-CA 3.44Å; W446-S470 VanDerWaalsContact CZ2-CA 3.49Å; D468-S470 PolarHBondContact O-N 3.5Å; S470-S476 WeakPolarHBondContact O-CB 3.36Å; S470-G483 WeakPolarHBondContact O-CA 3.42Å; S470-K487 WeakPolarHBondContact OG-CE 3.17Å
471T86.5Confident87.6Confident50 Ų5047.6 Ų47.631%0.30729%0.29SS..Hα-helixtrans-126.7-10.2176.9370000114.4D468 A469 S476 L484 K487D468-T471 PolarHBondContact O-N 3.5Å; D468-T471 PolarHBondContact O-OG1 3.34Å; A469-T471 PolarHBondContact O-N 3.27Å; T471-S476 PolarHBondContact O-OG 2.87Å; T471-L484 HydrophobicContact CG2-CD2 4.21Å; T471-K487 HydrophobicContact CG2-CD 4.36Å; T471-K487 VanDerWaalsContact CG2-NZ 3.26Å; T471-K487 PolarHBondContact OG1-NZ 3.46Å
472T87.4Confident87.7Confident65 Ų6544.9 Ų44.940%0.39926%0.261SS..Hα-helixtrans-123.2-14.3-174.556.90000113.8D468 A469 S476 H477D468-T472 HydrophobicContact CB-CG2 4.34Å; D468-T472 PolarHBondContact O-N 2.81Å; D468-T472 PolarHBondContact O-OG1 2.81Å; D468-T472 VanDerWaalsContact O-OG1 3.1Å; D468-T472 PolarHBondContact OD1-OG1 2.91Å; D468-T472 WeakPolarHBondContact OD2-CG2 3.2Å; A469-T472 PolarHBondContact O-N 2.96Å; T472-S476 PolarHBondContact N-OG 2.92Å; T472-H477 PolarHBondContact O-NE2 3.42Å
473S90.4Very high87.8Confident4 Ų439.8 Ų39.83%0.02823%0.231CC..SBendtrans-77.1161.3-175.9840000112.3W446 E450 S464 A469 L475 S476 H477W446-S473 PolarHBondContact NE1-OG 3.37Å; E450-S473 WeakPolarHBondContact OE1-CB 3.47Å; E450-S473 PolarHBondContact OE1-OG 3.01Å; S464-S473 VanDerWaalsContact OG-CB 3.27Å; S464-S473 WeakPolarHBondContact OG-CB 3.34Å; A469-S473 WeakPolarHBondContact O-CB 3.35Å; A469-S473 PolarHBondContact O-N 3.16Å; A469-S473 PolarHBondContact O-OG 3.37Å; A469-S473 VanDerWaalsContact O-OG 3.04Å; S473-L475 PolarHBondContact O-N 3.44Å; S473-L475 VanDerWaalsContact O-N 3.14Å; S473-L475 PolarHBondContact OG-N 2.75Å; S473-S476 PolarHBondContact N-OG 3.31Å; S473-S476 WeakPolarHBondContact O-CA 3.12Å; S473-S476 WeakPolarHBondContact O-CB 3.24Å; S473-S476 PolarHBondContact O-N 3Å; S473-S476 PolarHBondContact O-OG 3.41Å; S473-S476 PolarHBondContact OG-N 2.87Å; S473-H477 PolarHBondContact O-CD2 3.5Å; S473-H477 VanDerWaalsContact O-CD2 3.27Å; S473-H477 PolarHBondContact O-N 3.23Å
474P88.4Confident87.7Confident78 Ų7844.2 Ų44.251%0.50625%0.254SS..Hα-helixtrans-54.8-32.7174.1-25.534.7000113L459 S476 H477 L478L459-P474 HydrophobicContact CD1-CB 3.7Å; P474-S476 VanDerWaalsContact C-N 3.34Å; P474-S476 PolarHBondContact O-N 2.94Å; P474-H477 PolarHBondContact O-N 3.05Å; P474-L478 WeakPolarHBondContact O-CB 3.46Å; P474-L478 PolarHBondContact O-N 2.92Å
475L89.8Confident87.8Confident0 Ų047.8 Ų47.80%026%0.264CS..Hα-helixtrans-63.9-40174.8-175.463.9000112.1W446 L449 E450 M453 L459 S473 H477 L478 W479W446-L475 HydrophobicContact CH2-CD2 4.2Å; W446-L475 HydrophobicContact CH2-CG 4.42Å; W446-L475 HydrophobicContact CZ2-CB 4.03Å; W446-L475 HydrophobicContact CZ2-CD2 3.79Å; W446-L475 HydrophobicContact CZ2-CG 4.03Å; L449-L475 HydrophobicContact CD2-CD2 3.77Å; L449-L475 HydrophobicContact CG-CD2 3.74Å; E450-L475 HydrophobicContact CG-CB 4.04Å; E450-L475 HydrophobicContact CG-CD2 3.66Å; E450-L475 HydrophobicContact CG-CG 4.48Å; M453-L475 HydrophobicContact CB-CD1 4.45Å; M453-L475 HydrophobicContact CG-CD1 3.75Å; L459-L475 HydrophobicContact CD2-CB 4.48Å; S473-L475 PolarHBondContact O-N 3.44Å; S473-L475 VanDerWaalsContact O-N 3.14Å; S473-L475 PolarHBondContact OG-N 2.75Å; L475-H477 VanDerWaalsContact C-N 3.27Å; L475-H477 PolarHBondContact O-N 2.88Å; L475-L478 HydrophobicContact CD1-CD2 4.26Å; L475-L478 WeakPolarHBondContact O-CB 3.45Å; L475-L478 PolarHBondContact O-N 3.26Å; L475-W479 HydrophobicContact CD1-CD2 4.11Å; L475-W479 HydrophobicContact CD1-CE3 3.61Å; L475-W479 HydrophobicContact CD1-CH2 3.74Å; L475-W479 HydrophobicContact CD1-CZ2 4.16Å; L475-W479 HydrophobicContact CD1-CZ3 3.43Å; L475-W479 VanDerWaalsContact CD1-CZ3 3.43Å; L475-W479 HydrophobicContact CD2-CZ3 4.13Å; L475-W479 HydrophobicContact CG-CE3 4Å; L475-W479 HydrophobicContact CG-CZ3 3.99Å; L475-W479 PolarHBondContact O-N 3.13Å; L475-W479 VanDerWaalsContact O-N 3.1Å
476S88.4Confident88.1Confident11 Ų1141.9 Ų41.98%0.07724%0.241CC..Hα-helixtrans-66-31.7176.978.70000112.5S470 T471 T472 S473 P474 W479S470-S476 WeakPolarHBondContact O-CB 3.36Å; T471-S476 PolarHBondContact O-OG 2.87Å; T472-S476 PolarHBondContact N-OG 2.92Å; S473-S476 PolarHBondContact N-OG 3.31Å; S473-S476 WeakPolarHBondContact O-CA 3.12Å; S473-S476 WeakPolarHBondContact O-CB 3.24Å; S473-S476 PolarHBondContact O-N 3Å; S473-S476 PolarHBondContact O-OG 3.41Å; S473-S476 PolarHBondContact OG-N 2.87Å; P474-S476 VanDerWaalsContact C-N 3.34Å; P474-S476 PolarHBondContact O-N 2.94Å; S476-W479 CarbonylContact O-C 3.59Å
477H86.5Confident88.4Confident133 Ų13339.8 Ų39.862%0.61623%0.226SC*.Hα-helixtrans-75.7-34.6173.7-66.2-56.2000112.4T472 S473 P474 L475 W479T472-H477 PolarHBondContact O-NE2 3.42Å; S473-H477 PolarHBondContact O-CD2 3.5Å; S473-H477 VanDerWaalsContact O-CD2 3.27Å; S473-H477 PolarHBondContact O-N 3.23Å; P474-H477 PolarHBondContact O-N 3.05Å; L475-H477 VanDerWaalsContact C-N 3.27Å; L475-H477 PolarHBondContact O-N 2.88Å; H477-W479 VanDerWaalsContact C-N 3.29Å; H477-W479 PolarHBondContact O-N 3.45Å
478L84.9Confident89.1Confident32 Ų3240.8 Ų40.817%0.16823%0.232CC..Hα-helixtrans-63.3-36.7174.9-173.969.3000111.7I216 I458 P474 L475 P480I216-L478 HydrophobicContact CB-CD1 4.32Å; I216-L478 HydrophobicContact CD1-CD1 3.44Å; I216-L478 VanDerWaalsContact CD1-CD1 3.44Å; I216-L478 HydrophobicContact CG1-CD1 4.43Å; I458-L478 HydrophobicContact CG2-CD2 3.36Å; P474-L478 WeakPolarHBondContact O-CB 3.46Å; P474-L478 PolarHBondContact O-N 2.92Å; L475-L478 HydrophobicContact CD1-CD2 4.26Å; L475-L478 WeakPolarHBondContact O-CB 3.45Å; L475-L478 PolarHBondContact O-N 3.26Å; L478-P480 WeakPolarHBondContact O-CD 3.35Å
479W87.9Confident89.7Confident0 Ų037.8 Ų37.80%022%0.216CC..SBendtrans-122.380.8178.5-57.3-34.5000112.4Y209 L217 L221 I261 L449 M453 L475 S476 H477 G481 F482Y209-W479 HydrophobicContact CD2-CB 4.45Å; Y209-W479 HydrophobicContact CE1-CB 4.42Å; Y209-W479 HydrophobicContact CE1-CG 4.42Å; Y209-W479 HydrophobicContact CE2-CB 3.93Å; L217-W479 HydrophobicContact CD1-CZ2 3.82Å; L221-W479 HydrophobicContact CD1-CH2 4.14Å; L221-W479 HydrophobicContact CD1-CZ3 4.48Å; L221-W479 HydrophobicContact CD2-CD2 3.81Å; L221-W479 HydrophobicContact CD2-CE3 3.53Å; L221-W479 HydrophobicContact CD2-CH2 3.55Å; L221-W479 HydrophobicContact CD2-CZ2 3.89Å; L221-W479 HydrophobicContact CD2-CZ3 3.37Å; L221-W479 HydrophobicContact CG-CH2 4.4Å; I261-W479 HydrophobicContact CD1-CH2 4.1Å; I261-W479 HydrophobicContact CD1-CZ2 3.67Å; L449-W479 HydrophobicContact CD2-CZ3 4.39Å; M453-W479 HydrophobicContact CE-CH2 4.34Å; M453-W479 HydrophobicContact CG-CH2 3.83Å; M453-W479 HydrophobicContact CG-CZ2 4.46Å; M453-W479 HydrophobicContact SD-CH2 3.4Å; M453-W479 WeakPolarHBondContact SD-CH2 3.28Å; M453-W479 HydrophobicContact SD-CZ2 3.85Å; M453-W479 HydrophobicContact SD-CZ3 4.49Å; L475-W479 HydrophobicContact CD1-CD2 4.11Å; L475-W479 HydrophobicContact CD1-CE3 3.61Å; L475-W479 HydrophobicContact CD1-CH2 3.74Å; L475-W479 HydrophobicContact CD1-CZ2 4.16Å; L475-W479 HydrophobicContact CD1-CZ3 3.43Å; L475-W479 VanDerWaalsContact CD1-CZ3 3.43Å; L475-W479 HydrophobicContact CD2-CZ3 4.13Å; L475-W479 HydrophobicContact CG-CE3 4Å; L475-W479 HydrophobicContact CG-CZ3 3.99Å; L475-W479 PolarHBondContact O-N 3.13Å; L475-W479 VanDerWaalsContact O-N 3.1Å; S476-W479 CarbonylContact O-C 3.59Å; H477-W479 VanDerWaalsContact C-N 3.29Å; H477-W479 PolarHBondContact O-N 3.45Å; W479-G481 PolarHBondContact O-N 2.9Å; W479-F482 HydrophobicContact CB-CB 3.55Å; W479-F482 HydrophobicContact CB-CG 4.26Å; W479-F482 AromaticContact CE3-CD1 3.86Å; W479-F482 HydrophobicContact CE3-CD1 3.86Å; W479-F482 HydrophobicContact CE3-CE1 4.19Å; W479-F482 HydrophobicContact CE3-CG 4.1Å; W479-F482 HydrophobicContact CZ3-CD1 4.47Å; W479-F482 HydrophobicContact CZ3-CE1 4.35Å; W479-F482 VanDerWaalsContact O-CB 3.24Å; W479-F482 WeakPolarHBondContact O-CB 3.42Å; W479-F482 PolarHBondContact O-N 2.85Å
480P86.6Confident90.1Very high84 Ų8437.6 Ų37.655%0.54522%0.215SC..THydrogen-bonded Turntrans-49.9127.1179.3-2935.9000112.9Y209 L478 F482Y209-P480 WeakPolarHBondContact OH-CD 3.48Å; L478-P480 WeakPolarHBondContact O-CD 3.35Å; P480-F482 PolarHBondContact O-N 2.84Å; P480-F482 VanDerWaalsContact O-N 3.15Å
481G88.3Confident90.4Very high34 Ų3437 Ų3735%0.35121%0.211SC..THydrogen-bonded Turntrans74.9-9.8179.900000115.8W479 G483 L484 R485W479-G481 PolarHBondContact O-N 2.9Å; G481-G483 VanDerWaalsContact C-N 3.31Å; G481-G483 PolarHBondContact O-N 3.15Å; G481-L484 PolarHBondContact O-N 2.87Å; G481-R485 PolarHBondContact O-N 3.5Å
482F91.8Very high90.7Very high0 Ų037 Ų370%021%0.208CC..Hα-helixtrans-60.6-43.9172.6176.2-95.3000111I207 Y209 L221 Y223 W446 L449 W479 P480 L484 R485 F486I207-F482 HydrophobicContact CB-CE2 4.38Å; I207-F482 HydrophobicContact CD1-CD2 4.48Å; I207-F482 HydrophobicContact CD1-CE2 4Å; I207-F482 HydrophobicContact CG2-CD2 4.19Å; I207-F482 HydrophobicContact CG2-CE2 4.21Å; Y209-F482 HydrophobicContact CD2-CB 3.99Å; Y209-F482 HydrophobicContact CD2-CD2 4.19Å; Y209-F482 HydrophobicContact CE2-CB 4.05Å; L221-F482 HydrophobicContact CD2-CD2 3.96Å; L221-F482 HydrophobicContact CD2-CE2 3.74Å; L221-F482 HydrophobicContact CD2-CZ 4.21Å; Y223-F482 AromaticContact CD2-CZ 3.93Å; Y223-F482 HydrophobicContact CD2-CZ 3.93Å; Y223-F482 HydrophobicContact CG-CE2 4.29Å; Y223-F482 AromaticContact CG-CZ 3.93Å; Y223-F482 HydrophobicContact CG-CZ 3.93Å; W446-F482 HydrophobicContact CH2-CD1 4.01Å; W446-F482 HydrophobicContact CH2-CE1 4.22Å; W446-F482 AromaticContact CZ3-CD1 3.95Å; W446-F482 HydrophobicContact CZ3-CD1 3.95Å; W446-F482 AromaticContact CZ3-CE1 3.8Å; W446-F482 HydrophobicContact CZ3-CE1 3.8Å; L449-F482 HydrophobicContact CD2-CE1 3.57Å; L449-F482 HydrophobicContact CD2-CZ 3.99Å; W479-F482 HydrophobicContact CB-CB 3.55Å; W479-F482 HydrophobicContact CB-CG 4.26Å; W479-F482 AromaticContact CE3-CD1 3.86Å; W479-F482 HydrophobicContact CE3-CD1 3.86Å; W479-F482 HydrophobicContact CE3-CE1 4.19Å; W479-F482 HydrophobicContact CE3-CG 4.1Å; W479-F482 HydrophobicContact CZ3-CD1 4.47Å; W479-F482 HydrophobicContact CZ3-CE1 4.35Å; W479-F482 VanDerWaalsContact O-CB 3.24Å; W479-F482 WeakPolarHBondContact O-CB 3.42Å; W479-F482 PolarHBondContact O-N 2.85Å; P480-F482 PolarHBondContact O-N 2.84Å; P480-F482 VanDerWaalsContact O-N 3.15Å; F482-L484 VanDerWaalsContact C-N 3.29Å; F482-L484 PolarHBondContact O-N 2.76Å; F482-R485 CarbonylContact O-C 3.37Å; F482-R485 PolarHBondContact O-N 2.98Å; F482-F486 HydrophobicContact CE1-CB 4.2Å; F482-F486 HydrophobicContact CE1-CD2 4.35Å; F482-F486 WeakPolarHBondContact O-CB 3.44Å; F482-F486 PolarHBondContact O-N 2.87Å
483G92.6Very high91.1Very high4 Ų433.9 Ų33.94%0.04119%0.189CC..Hα-helixtrans-50.3-44.5175.500000114.5S470 G481 F486 K487S470-G483 WeakPolarHBondContact O-CA 3.42Å; G481-G483 VanDerWaalsContact C-N 3.31Å; G481-G483 PolarHBondContact O-N 3.15Å; G483-F486 PolarHBondContact O-N 2.86Å; G483-K487 VanDerWaalsContact O-CB 3.28Å; G483-K487 WeakPolarHBondContact O-CB 3.36Å; G483-K487 PolarHBondContact O-N 3.35Å
484L91.4Very high91.1Very high99 Ų9933.7 Ų33.752%0.51819%0.188SC..Hα-helixtrans-68.2-39177.2-66.8173.6000112.2T471 G481 F482 K487 S488T471-L484 HydrophobicContact CG2-CD2 4.21Å; G481-L484 PolarHBondContact O-N 2.87Å; F482-L484 VanDerWaalsContact C-N 3.29Å; F482-L484 PolarHBondContact O-N 2.76Å; L484-K487 WeakPolarHBondContact O-CB 3.41Å; L484-K487 PolarHBondContact O-N 3.39Å; L484-S488 WeakPolarHBondContact O-CB 3.14Å; L484-S488 PolarHBondContact O-N 2.9Å
485R93.7Very high91.2Very high98 Ų9831.6 Ų31.637%0.3717%0.173SC..Hα-helixtrans-68.6-40.5175.7-70.1-172.2-71.4-100.1-8.1112.1I207 G481 F482 K487 S488 I489I207-R485 HydrophobicContact CD1-CB 3.73Å; I207-R485 HydrophobicContact CG1-CB 4.35Å; I207-R485 HydrophobicContact CG2-CB 4.34Å; G481-R485 PolarHBondContact O-N 3.5Å; F482-R485 CarbonylContact O-C 3.37Å; F482-R485 PolarHBondContact O-N 2.98Å; R485-K487 VanDerWaalsContact C-N 3.34Å; R485-K487 PolarHBondContact O-N 3.31Å; R485-S488 WeakPolarHBondContact O-CB 3.2Å; R485-S488 PolarHBondContact O-N 2.89Å; R485-I489 PolarHBondContact O-N 3.47Å
486F95.3Very high91.2Very high3 Ų333.5 Ų33.51%0.01318%0.18CC..Hα-helixtrans-56-51.1173.1174.6-85.4000110.5Y223 S442 W446 F482 G483 S488 I489 W490Y223-F486 HydrophobicContact CE1-CD2 4.1Å; Y223-F486 HydrophobicContact CE1-CE2 4.42Å; Y223-F486 AromaticContact CE2-CD2 3.8Å; Y223-F486 HydrophobicContact CE2-CD2 3.8Å; Y223-F486 AromaticContact CE2-CE2 3.72Å; Y223-F486 HydrophobicContact CE2-CE2 3.72Å; Y223-F486 AromaticContact CZ-CD2 3.59Å; Y223-F486 AromaticContact CZ-CE2 3.52Å; Y223-F486 WeakPolarHBondContact OH-CE2 3.38Å; S442-F486 WeakPolarHBondContact O-CZ 3.43Å; W446-F486 HydrophobicContact CB-CE1 4.26Å; W446-F486 HydrophobicContact CB-CZ 4.03Å; W446-F486 HydrophobicContact CE3-CB 4.44Å; W446-F486 AromaticContact CE3-CD1 3.67Å; W446-F486 HydrophobicContact CE3-CD1 3.67Å; W446-F486 AromaticContact CE3-CD2 3.89Å; W446-F486 HydrophobicContact CE3-CD2 3.89Å; W446-F486 AromaticContact CE3-CE1 3.78Å; W446-F486 HydrophobicContact CE3-CE1 3.78Å; W446-F486 AromaticContact CE3-CE2 3.96Å; W446-F486 HydrophobicContact CE3-CE2 3.96Å; W446-F486 AromaticContact CE3-CG 3.74Å; W446-F486 HydrophobicContact CE3-CG 3.74Å; W446-F486 AromaticContact CE3-CZ 3.92Å; W446-F486 HydrophobicContact CE3-CZ 3.92Å; W446-F486 HydrophobicContact CZ3-CB 4.01Å; W446-F486 HydrophobicContact CZ3-CD1 4.06Å; W446-F486 HydrophobicContact CZ3-CD2 4.11Å; W446-F486 AromaticContact CZ3-CG 3.81Å; W446-F486 HydrophobicContact CZ3-CG 3.81Å; F482-F486 HydrophobicContact CE1-CB 4.2Å; F482-F486 HydrophobicContact CE1-CD2 4.35Å; F482-F486 WeakPolarHBondContact O-CB 3.44Å; F482-F486 PolarHBondContact O-N 2.87Å; G483-F486 PolarHBondContact O-N 2.86Å; F486-S488 VanDerWaalsContact C-N 3.34Å; F486-S488 PolarHBondContact O-N 2.87Å; F486-I489 PolarHBondContact O-N 3.3Å; F486-W490 AromaticContact CD1-CD1 3.85Å; F486-W490 AromaticContact CE1-CD1 3.47Å; F486-W490 VanDerWaalsContact CE1-CD1 3.47Å; F486-W490 HydrophobicContact CE1-CG 4.35Å; F486-W490 AromaticContact CE1-NE1 3.76Å; F486-W490 AromaticContact CE2-CD1 3.82Å; F486-W490 AromaticContact CE2-NE1 3.47Å; F486-W490 AromaticContact CZ-CD1 3.46Å; F486-W490 VanDerWaalsContact CZ-CD1 3.46Å; F486-W490 AromaticContact CZ-NE1 3.23Å; F486-W490 PolarHBondContact O-N 3.02Å
487K92.2Very high91.3Very high27 Ų2733 Ų3312%0.11718%0.177CC..Hα-helixtrans-52.8-47.5173.9-98.2-172.2-160.9-175.10112.8S470 T471 G483 L484 R485 W490 A491 T512S470-K487 WeakPolarHBondContact OG-CE 3.17Å; T471-K487 HydrophobicContact CG2-CD 4.36Å; T471-K487 VanDerWaalsContact CG2-NZ 3.26Å; T471-K487 PolarHBondContact OG1-NZ 3.46Å; G483-K487 VanDerWaalsContact O-CB 3.28Å; G483-K487 WeakPolarHBondContact O-CB 3.36Å; G483-K487 PolarHBondContact O-N 3.35Å; L484-K487 WeakPolarHBondContact O-CB 3.41Å; L484-K487 PolarHBondContact O-N 3.39Å; R485-K487 VanDerWaalsContact C-N 3.34Å; R485-K487 PolarHBondContact O-N 3.31Å; K487-W490 PolarHBondContact O-N 2.91Å; K487-A491 WeakPolarHBondContact O-CB 3.49Å; K487-A491 PolarHBondContact O-N 3.43Å; K487-T512 CarbonylContact C-O 3.5Å; K487-T512 WeakPolarHBondContact CB-O 3.49Å; K487-T512 VanDerWaalsContact CG-O 3.24Å; K487-T512 WeakPolarHBondContact CG-O 3.42Å
488S93.9Very high91.2Very high43 Ų4327.3 Ų27.330%0.30115%0.152SC..Hα-helixtrans-62.7-43176.6-175.80000113.2L484 R485 F486 W490 A491 N492L484-S488 WeakPolarHBondContact O-CB 3.14Å; L484-S488 PolarHBondContact O-N 2.9Å; R485-S488 WeakPolarHBondContact O-CB 3.2Å; R485-S488 PolarHBondContact O-N 2.89Å; F486-S488 VanDerWaalsContact C-N 3.34Å; F486-S488 PolarHBondContact O-N 2.87Å; S488-W490 PolarHBondContact O-N 3.41Å; S488-A491 WeakPolarHBondContact O-CB 2.93Å; S488-A491 PolarHBondContact O-N 2.85Å; S488-N492 VanDerWaalsContact O-CG 3.26Å; S488-N492 PolarHBondContact O-N 2.77Å; S488-N492 PolarHBondContact O-ND2 2.9Å; S488-N492 VanDerWaalsContact O-ND2 3.11Å
489I95.8Very high91.3Very high13 Ų1328.9 Ų28.97%0.06716%0.16CC..Hα-helixtrans-62-44.6176-77.5-164.1000111.6Y203 I207 Y223 L225 R485 F486 A491 N492 N493Y203-I489 HydrophobicContact CE1-CG2 3.93Å; Y203-I489 WeakPolarHBondContact CE1-O 3.41Å; I207-I489 HydrophobicContact CD1-CD1 3.66Å; I207-I489 HydrophobicContact CD1-CG1 4.21Å; I207-I489 HydrophobicContact CG1-CD1 3.2Å; I207-I489 HydrophobicContact CG1-CG1 4.12Å; Y223-I489 HydrophobicContact CE1-CG2 4.34Å; L225-I489 HydrophobicContact CB-CG2 3.75Å; L225-I489 HydrophobicContact CD2-CG2 3.75Å; L225-I489 HydrophobicContact CG-CG2 4.41Å; R485-I489 PolarHBondContact O-N 3.47Å; F486-I489 PolarHBondContact O-N 3.3Å; I489-A491 VanDerWaalsContact C-N 3.32Å; I489-A491 PolarHBondContact O-N 2.82Å; I489-N492 PolarHBondContact O-N 3.49Å; I489-N493 WeakPolarHBondContact O-CB 3.4Å; I489-N493 PolarHBondContact O-N 3.49Å
490W94.9Very high91Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-67.2-32.4176.4-83.794000112.8Y223 L225 T255 N438 Q441 S445 F486 K487 S488 N493 A494Y223-W490 PolarHBondContact OH-NE1 2.82Å; L225-W490 HydrophobicContact CD1-CH2 3.95Å; L225-W490 HydrophobicContact CD1-CZ2 3.39Å; L225-W490 HydrophobicContact CD2-CD2 3.86Å; L225-W490 HydrophobicContact CD2-CE3 4.25Å; L225-W490 HydrophobicContact CD2-CG 4.26Å; L225-W490 HydrophobicContact CD2-CH2 4.42Å; L225-W490 HydrophobicContact CD2-CZ2 4.02Å; L225-W490 HydrophobicContact CG-CZ2 4.38Å; T255-W490 HydrophobicContact CG2-CH2 3.71Å; T255-W490 HydrophobicContact CG2-CZ2 4.41Å; T255-W490 HydrophobicContact CG2-CZ3 4.26Å; N438-W490 PolarHBondContact ND2-O 2.84Å; N438-W490 PolarHBondContact OD1-O 3.41Å; Q441-W490 HydrophobicContact CB-CH2 3.84Å; Q441-W490 HydrophobicContact CB-CZ3 3.61Å; S445-W490 VanDerWaalsContact CB-CZ2 3.4Å; S445-W490 WeakPolarHBondContact OG-CZ2 3.47Å; F486-W490 AromaticContact CD1-CD1 3.85Å; F486-W490 AromaticContact CE1-CD1 3.47Å; F486-W490 VanDerWaalsContact CE1-CD1 3.47Å; F486-W490 HydrophobicContact CE1-CG 4.35Å; F486-W490 AromaticContact CE1-NE1 3.76Å; F486-W490 AromaticContact CE2-CD1 3.82Å; F486-W490 AromaticContact CE2-NE1 3.47Å; F486-W490 AromaticContact CZ-CD1 3.46Å; F486-W490 VanDerWaalsContact CZ-CD1 3.46Å; F486-W490 AromaticContact CZ-NE1 3.23Å; F486-W490 PolarHBondContact O-N 3.02Å; K487-W490 PolarHBondContact O-N 2.91Å; S488-W490 PolarHBondContact O-N 3.41Å; W490-N493 PolarHBondContact O-N 3.16Å; W490-A494 PolarHBondContact O-N 3.15Å; W490-A494 VanDerWaalsContact O-N 3.15Å
491A91.5Very high90.7Very high0 Ų026.8 Ų26.80%014%0.143CC..Hα-helixtrans-61.9-51.4170.900000111.2K487 S488 I489 N493 A494 D495 T512 R513K487-A491 WeakPolarHBondContact O-CB 3.49Å; K487-A491 PolarHBondContact O-N 3.43Å; S488-A491 WeakPolarHBondContact O-CB 2.93Å; S488-A491 PolarHBondContact O-N 2.85Å; I489-A491 VanDerWaalsContact C-N 3.32Å; I489-A491 PolarHBondContact O-N 2.82Å; A491-N493 VanDerWaalsContact C-N 3.3Å; A491-N493 PolarHBondContact O-N 3.45Å; A491-A494 WeakPolarHBondContact O-CB 3.35Å; A491-A494 PolarHBondContact O-N 3.05Å; A491-A494 VanDerWaalsContact O-N 3.09Å; A491-D495 PolarHBondContact O-N 2.87Å; A491-T512 WeakPolarHBondContact CA-OG1 3.24Å; A491-T512 WeakPolarHBondContact CB-OG1 3.43Å; A491-R513 HydrophobicContact CB-CB 4.26Å; A491-R513 HydrophobicContact CB-CG 4.19Å
492N93.6Very high90.1Very high48 Ų4826.7 Ų26.726%0.25714%0.139SC..Hα-helixtrans-59.4-43.4177.5-65.6-36000110.8Y203 S488 I489 A494 D495 Y496Y203-N492 HydrophobicContact CE1-CB 4.42Å; Y203-N492 HydrophobicContact CE2-CB 3.67Å; Y203-N492 WeakPolarHBondContact OH-CB 3.35Å; S488-N492 VanDerWaalsContact O-CG 3.26Å; S488-N492 PolarHBondContact O-N 2.77Å; S488-N492 PolarHBondContact O-ND2 2.9Å; S488-N492 VanDerWaalsContact O-ND2 3.11Å; I489-N492 PolarHBondContact O-N 3.49Å; N492-A494 VanDerWaalsContact C-N 3.27Å; N492-A494 PolarHBondContact O-N 3.36Å; N492-D495 PolarHBondContact O-N 2.65Å; N492-D495 VanDerWaalsContact O-N 3.07Å; N492-Y496 VanDerWaalsContact O-CD2 3.24Å; N492-Y496 WeakPolarHBondContact O-CD2 3.37Å; N492-Y496 PolarHBondContact O-N 3.16Å
493N94.7Very high89.3Confident0 Ų029.3 Ų29.30%017%0.166CC..Hα-helixtrans-53.8-43.4175.4-177.761.8000112.7Y203 L225 S227 N438 I489 W490 A491 C497Y203-N493 HydrophobicContact CD1-CB 3.57Å; Y203-N493 HydrophobicContact CE1-CB 3.96Å; Y203-N493 HydrophobicContact CG-CB 4.23Å; L225-N493 HydrophobicContact CD2-CB 3.82Å; S227-N493 WeakPolarHBondContact CB-OD1 3.13Å; S227-N493 PolarHBondContact OG-OD1 3.41Å; N438-N493 PolarHBondContact OD1-ND2 3.46Å; I489-N493 WeakPolarHBondContact O-CB 3.4Å; I489-N493 PolarHBondContact O-N 3.49Å; W490-N493 PolarHBondContact O-N 3.16Å; A491-N493 VanDerWaalsContact C-N 3.3Å; A491-N493 PolarHBondContact O-N 3.45Å; N493-C497 WeakPolarHBondContact O-CB 3.46Å; N493-C497 PolarHBondContact O-N 3.37Å; N493-C497 PolarHBondContact O-SG 3.2Å
494A90.8Very high87.9Confident1 Ų132.6 Ų32.61%0.00819%0.185CC..Hα-helixtrans-62.9-46.7175.600000111.7N438 W490 A491 N492 C497 S498 A506 T509N438-A494 HydrophobicContact CB-CB 4.01Å; W490-A494 PolarHBondContact O-N 3.15Å; W490-A494 VanDerWaalsContact O-N 3.15Å; A491-A494 WeakPolarHBondContact O-CB 3.35Å; A491-A494 PolarHBondContact O-N 3.05Å; A491-A494 VanDerWaalsContact O-N 3.09Å; N492-A494 VanDerWaalsContact C-N 3.27Å; N492-A494 PolarHBondContact O-N 3.36Å; A494-C497 PolarHBondContact O-N 3.2Å; A494-S498 WeakPolarHBondContact O-CB 3.49Å; A494-S498 PolarHBondContact O-N 3.26Å; A494-A506 HydrophobicContact CB-CB 3.92Å; A494-T509 HydrophobicContact CB-CG2 3.91Å
495D89.6Confident86.3Confident34 Ų3431.8 Ų31.818%0.18219%0.186CC..Hα-helixtrans-60.3-51.2-178.7-77.8-34000112.2A491 N492 C497 S498 L499 A506 T509A491-D495 PolarHBondContact O-N 2.87Å; N492-D495 PolarHBondContact O-N 2.65Å; N492-D495 VanDerWaalsContact O-N 3.07Å; D495-C497 VanDerWaalsContact C-N 3.33Å; D495-C497 PolarHBondContact O-N 2.97Å; D495-S498 PolarHBondContact O-N 3.34Å; D495-L499 WeakPolarHBondContact O-CB 3.43Å; D495-L499 PolarHBondContact O-N 3.36Å; D495-A506 PolarHBondContact OD1-N 3.47Å; D495-T509 VanDerWaalsContact CG-CG2 3.42Å; D495-T509 WeakPolarHBondContact OD1-CG2 3.46Å
496Y91.3Very high84.7Confident39 Ų3927.5 Ų27.515%0.15317%0.171CC..Hα-helixtrans-59.6-47-179.3-86.1-99.4000111.3K87 E125 Y203 N492 S498 L499 Q500K87-Y496 PolarHBondContact NZ-OH 2.74Å; E125-Y496 HydrophobicContact CB-CD1 4.22Å; E125-Y496 HydrophobicContact CB-CE1 3.84Å; E125-Y496 WeakPolarHBondContact OE2-CE1 2.87Å; E125-Y496 PolarHBondContact OE2-OH 3.22Å; Y203-Y496 HydrophobicContact CD2-CD1 4.36Å; Y203-Y496 AromaticContact CD2-CD2 3.53Å; Y203-Y496 HydrophobicContact CD2-CD2 3.53Å; Y203-Y496 AromaticContact CD2-CE2 3.88Å; Y203-Y496 HydrophobicContact CD2-CE2 3.88Å; Y203-Y496 AromaticContact CD2-CG 3.78Å; Y203-Y496 HydrophobicContact CD2-CG 3.78Å; Y203-Y496 AromaticContact CE2-CD2 3.94Å; Y203-Y496 HydrophobicContact CE2-CD2 3.94Å; Y203-Y496 AromaticContact CE2-CE2 3.93Å; Y203-Y496 HydrophobicContact CE2-CE2 3.93Å; N492-Y496 VanDerWaalsContact O-CD2 3.24Å; N492-Y496 WeakPolarHBondContact O-CD2 3.37Å; N492-Y496 PolarHBondContact O-N 3.16Å; Y496-S498 VanDerWaalsContact C-N 3.3Å; Y496-S498 PolarHBondContact O-N 3.03Å; Y496-L499 PolarHBondContact O-N 2.98Å; Y496-Q500 WeakPolarHBondContact O-CB 3.17Å; Y496-Q500 VanDerWaalsContact O-CD 3.27Å; Y496-Q500 WeakPolarHBondContact O-CG 3.33Å; Y496-Q500 PolarHBondContact O-N 3.49Å
497C89.4Confident82.8Confident2 Ų234.6 Ų34.61%0.01421%0.209CC..Hα-helixtrans-73.6-26.3-177.1-60.50000112.6R272 L434 N493 A494 D495 Y501R272-C497 PolarHBondContact NH2-SG 2.9Å; L434-C497 HydrophobicContact CD2-CB 3.21Å; N493-C497 WeakPolarHBondContact O-CB 3.46Å; N493-C497 PolarHBondContact O-N 3.37Å; N493-C497 PolarHBondContact O-SG 3.2Å; A494-C497 PolarHBondContact O-N 3.2Å; D495-C497 VanDerWaalsContact C-N 3.33Å; D495-C497 PolarHBondContact O-N 2.97Å; C497-Y501 PolarHBondContact O-N 3.26Å
498S85.9Confident81.1Confident13 Ų1336.6 Ų36.69%0.09122%0.217CC..Hα-helixtrans-72.2-45.4174.4-176.80000109.9A494 D495 Y496 Q500 Y501 A502 T504A494-S498 WeakPolarHBondContact O-CB 3.49Å; A494-S498 PolarHBondContact O-N 3.26Å; D495-S498 PolarHBondContact O-N 3.34Å; Y496-S498 VanDerWaalsContact C-N 3.3Å; Y496-S498 PolarHBondContact O-N 3.03Å; S498-Q500 VanDerWaalsContact C-N 3.27Å; S498-Q500 PolarHBondContact O-N 3.27Å; S498-Y501 PolarHBondContact O-N 3.34Å; S498-Y501 VanDerWaalsContact O-N 3.15Å; S498-A502 PolarHBondContact O-N 3.02Å; S498-T504 CarbonylContact C-O 3.54Å; S498-T504 WeakPolarHBondContact CB-O 3.48Å; S498-T504 PolarHBondContact OG-O 2.96Å
499L85.5Confident79Confident64 Ų6435.4 Ų35.434%0.33521%0.208SC..Hα-helixtrans-56.6-44.2176.3-17471.1000111E125 D495 Y496 Y501 G503 T504E125-L499 HydrophobicContact CB-CD2 4.26Å; D495-L499 WeakPolarHBondContact O-CB 3.43Å; D495-L499 PolarHBondContact O-N 3.36Å; Y496-L499 PolarHBondContact O-N 2.98Å; L499-Y501 VanDerWaalsContact C-N 3.3Å; L499-Y501 PolarHBondContact O-N 3.47Å; L499-G503 WeakPolarHBondContact O-CA 3.12Å; L499-G503 PolarHBondContact O-N 3.15Å; L499-T504 PolarHBondContact N-O 3.25Å
500Q82.7Confident76.8Confident25 Ų2538 Ų3812%0.11722%0.222CC..Hα-helixtrans-67.4-25.2-179.3-72.4163.15.800114.4E125 Q201 G202 R229 Y496 S498E125-Q500 PolarHBondContact O-NE2 3.45Å; E125-Q500 VanDerWaalsContact O-NE2 3.1Å; Q201-Q500 HydrophobicContact CG-CG 4.26Å; G202-Q500 PolarHBondContact O-NE2 3.38Å; R229-Q500 PolarHBondContact NH1-O 2.88Å; R229-Q500 PolarHBondContact NH2-O 3.49Å; Y496-Q500 WeakPolarHBondContact O-CB 3.17Å; Y496-Q500 VanDerWaalsContact O-CD 3.27Å; Y496-Q500 WeakPolarHBondContact O-CG 3.33Å; Y496-Q500 PolarHBondContact O-N 3.49Å; S498-Q500 VanDerWaalsContact C-N 3.27Å; S498-Q500 PolarHBondContact O-N 3.27Å
501Y80.2Confident74.7Confident15 Ų1541.6 Ų41.66%0.05924%0.238CC..Hα-helixtrans-102.8-43.4-177.2176.5-121.4000113.4R237 N251 L434 C497 S498 L499R237-Y501 HydrophobicContact CB-CE1 4.19Å; R237-Y501 HydrophobicContact CG-CE1 4.12Å; R237-Y501 PolarHBondContact N-O 2.85Å; R237-Y501 VanDerWaalsContact N-O 3.15Å; N251-Y501 HydrophobicContact CB-CD2 3.77Å; N251-Y501 HydrophobicContact CB-CE2 3.81Å; N251-Y501 HydrophobicContact CB-CG 4.25Å; N251-Y501 WeakPolarHBondContact ND2-CD1 2.99Å; L434-Y501 HydrophobicContact CD1-CD1 4.14Å; C497-Y501 PolarHBondContact O-N 3.26Å; S498-Y501 PolarHBondContact O-N 3.34Å; S498-Y501 VanDerWaalsContact O-N 3.15Å; L499-Y501 VanDerWaalsContact C-N 3.3Å; L499-Y501 PolarHBondContact O-N 3.47Å
502A74.5Confident73Confident33 Ų3342.1 Ų42.127%0.27324%0.241SC..Hα-helixtrans-107.6-11.9-173.900000113.7R237 S498 T504R237-A502 HydrophobicContact CB-CB 4.48Å; S498-A502 PolarHBondContact O-N 3.02Å; A502-T504 PolarHBondContact O-N 3.24Å
503G75.3Confident70.9Confident55 Ų5546.4 Ų46.457%0.56725%0.254SS*.SBendtrans76.93.6-17400000114.1L499L499-G503 WeakPolarHBondContact O-CA 3.12Å; L499-G503 PolarHBondContact O-N 3.15Å
504T64.2Low68.5Low73 Ų7349.9 Ų49.945%0.44828%0.275SS..SBendtrans-130.6146.7179.162.50000111S498 L499 A502S498-T504 CarbonylContact C-O 3.54Å; S498-T504 WeakPolarHBondContact CB-O 3.48Å; S498-T504 PolarHBondContact OG-O 2.96Å; L499-T504 PolarHBondContact N-O 3.25Å; A502-T504 PolarHBondContact O-N 3.24Å
505P57.5Low66.2Low82 Ų8253 Ų5353%0.53230%0.301SS..  trans-55.2163.8168.6-23.233.8000112.5
506A59.6Low63.8Low8 Ų858.1 Ų58.17%0.06632%0.324CS..  trans-77.6143-175.500000110.6D435 A494 D495 T509D435-A506 WeakPolarHBondContact OD1-CB 3.2Å; A494-A506 HydrophobicContact CB-CB 3.92Å; D495-A506 PolarHBondContact OD1-N 3.47Å; A506-T509 HydrophobicContact CB-CG2 3.56Å; A506-T509 PolarHBondContact O-OG1 2.84Å
507L54.8Low61.4Low152 Ų15266.4 Ų66.480%0.79636%0.355SS*.THydrogen-bonded Turntrans-79.6-21.5-169.8-73.9165000112.9D435D435-L507 PolarHBondContact OD1-N 2.94Å; D435-L507 PolarHBondContact OD2-N 3.14Å
508K57.9Low59.5Low69 Ų6971.1 Ų71.130%0.338%0.383SS..THydrogen-bonded Turntrans-113.220.7-177.8-55.4-173.2176.7-178.20113.9D435 D510 F511D435-K508 HydrophobicContact CB-CB 3.77Å; D435-K508 HydrophobicContact CB-CD 4.04Å; D435-K508 HydrophobicContact CB-CG 3.92Å; D435-K508 PolarHBondContact OD1-N 3.41Å; D435-K508 PolarHBondContact OD2-N 2.79Å; D435-K508 VanDerWaalsContact OD2-N 3.11Å; K508-D510 PolarHBondContact O-N 3.49Å; K508-F511 WeakPolarHBondContact O-CB 3.31Å; K508-F511 PolarHBondContact O-N 2.95Å; K508-F511 VanDerWaalsContact O-N 3.09Å
509T50.3Low57.8Low17 Ų1778 Ų7810%0.10441%0.414CS..Hα-helixtrans-63.6-22.217652.80000113.4A494 D495 A506 F511 T512 R513A494-T509 HydrophobicContact CB-CG2 3.91Å; D495-T509 VanDerWaalsContact CG-CG2 3.42Å; D495-T509 WeakPolarHBondContact OD1-CG2 3.46Å; A506-T509 HydrophobicContact CB-CG2 3.56Å; A506-T509 PolarHBondContact O-OG1 2.84Å; T509-F511 PolarHBondContact O-N 2.92Å; T509-T512 PolarHBondContact O-N 3.13Å; T509-T512 PolarHBondContact O-OG1 3.43Å; T509-R513 WeakPolarHBondContact O-CB 3.42Å; T509-R513 PolarHBondContact O-N 3.08Å
510D48.2Very low56.3Low68 Ų6880.7 Ų80.736%0.36442%0.423SS..Hα-helixtrans-56-33.9172.3-69.5-28000112.4K508 R513 T514 K520K508-D510 PolarHBondContact O-N 3.49Å; D510-R513 PolarHBondContact O-N 3.25Å; D510-T514 PolarHBondContact O-N 3.4Å; D510-T514 PolarHBondContact O-OG1 2.99Å; D510-K520 IonicContact OD1-NZ 3.48Å; D510-K520 PolarHBondContact OD1-NZ 2.95Å; D510-K520 IonicContact OD2-NZ 2.86Å; D510-K520 PolarHBondContact OD2-NZ 3.41Å
511F52.2Low55.2Low76 Ų7680.8 Ų80.833%0.33343%0.428SS..Hα-helixtrans-71.7-41.5179.7-176-98.1000112.2W388 V439 K508 T509 R513W388-F511 HydrophobicContact CB-CZ 4.32Å; W388-F511 AromaticContact CD1-CE2 3.69Å; W388-F511 HydrophobicContact CD2-CD2 4.34Å; W388-F511 HydrophobicContact CD2-CE1 4.41Å; W388-F511 AromaticContact CD2-CE2 3.55Å; W388-F511 HydrophobicContact CD2-CE2 3.55Å; W388-F511 AromaticContact CD2-CZ 3.58Å; W388-F511 HydrophobicContact CD2-CZ 3.58Å; W388-F511 AromaticContact CE2-CD2 3.77Å; W388-F511 AromaticContact CE2-CE2 3.35Å; W388-F511 AromaticContact CE2-CZ 3.88Å; W388-F511 HydrophobicContact CE3-CE1 4.27Å; W388-F511 HydrophobicContact CE3-CE2 4.19Å; W388-F511 AromaticContact CE3-CZ 3.85Å; W388-F511 HydrophobicContact CE3-CZ 3.85Å; W388-F511 AromaticContact CG-CE2 3.74Å; W388-F511 HydrophobicContact CG-CE2 3.74Å; W388-F511 AromaticContact CG-CZ 3.8Å; W388-F511 HydrophobicContact CG-CZ 3.8Å; W388-F511 HydrophobicContact CH2-CD2 4.33Å; W388-F511 HydrophobicContact CH2-CE2 4.41Å; W388-F511 HydrophobicContact CH2-CG 4.42Å; W388-F511 AromaticContact CZ2-CD2 3.77Å; W388-F511 HydrophobicContact CZ2-CD2 3.77Å; W388-F511 AromaticContact CZ2-CE2 3.83Å; W388-F511 HydrophobicContact CZ2-CE2 3.83Å; W388-F511 HydrophobicContact CZ2-CG 4.27Å; W388-F511 HydrophobicContact CZ2-CZ 4.37Å; W388-F511 HydrophobicContact CZ3-CE1 4.39Å; W388-F511 HydrophobicContact CZ3-CZ 4.33Å; W388-F511 AromaticContact NE1-CD2 3.99Å; W388-F511 AromaticContact NE1-CE2 3.44Å; V439-F511 HydrophobicContact CG1-CE1 4.46Å; V439-F511 HydrophobicContact CG2-CD1 4.23Å; K508-F511 WeakPolarHBondContact O-CB 3.31Å; K508-F511 PolarHBondContact O-N 2.95Å; K508-F511 VanDerWaalsContact O-N 3.09Å; T509-F511 PolarHBondContact O-N 2.92Å; F511-R513 VanDerWaalsContact C-N 3.33Å
512T53.8Low54.6Low10 Ų1084.1 Ų84.16%0.06145%0.45CS..Hα-helixtrans-70.3-32.6173.341.60000110.8K487 A491 T509K487-T512 CarbonylContact C-O 3.5Å; K487-T512 WeakPolarHBondContact CB-O 3.49Å; K487-T512 VanDerWaalsContact CG-O 3.24Å; K487-T512 WeakPolarHBondContact CG-O 3.42Å; A491-T512 WeakPolarHBondContact CA-OG1 3.24Å; A491-T512 WeakPolarHBondContact CB-OG1 3.43Å; T509-T512 PolarHBondContact O-N 3.13Å; T509-T512 PolarHBondContact O-OG1 3.43Å
513R49.6Very low54.5Low138 Ų13890 Ų9052%0.52147%0.466SS..Hα-helixtrans-84-29-173.5-133.2172.678.4157.25115.5A491 T509 D510 F511A491-R513 HydrophobicContact CB-CB 4.26Å; A491-R513 HydrophobicContact CB-CG 4.19Å; T509-R513 WeakPolarHBondContact O-CB 3.42Å; T509-R513 PolarHBondContact O-N 3.08Å; D510-R513 PolarHBondContact O-N 3.25Å; F511-R513 VanDerWaalsContact C-N 3.33Å
514T44.4Very low54.6Low74 Ų7492.4 Ų92.445%0.45447%0.47SS..  trans-154.3121.2-166.610.40000113.5D510D510-T514 PolarHBondContact O-N 3.4Å; D510-T514 PolarHBondContact O-OG1 2.99Å
515A43.5Very low55.3Low67 Ų6795 Ų9555%0.55448%0.48SS*.SBendtrans-79.8-0.9162.200000112.9
516H38Very low56.6Low141 Ų14197.7 Ų97.765%0.65348%0.484SS*.  trans-125.8118.2-179.6-80.3-81.6000111.5T518H516-T518 PolarHBondContact O-N 2.92Å
517W42Very low57.8Low213 Ų213103.9 Ų103.981%0.80751%0.505SS*.  trans-6913.6-177-9082.4000115.6E519 A521W517-E519 PolarHBondContact O-N 2.93Å; W517-A521 HydrophobicContact CB-CB 4.36Å; W517-A521 HydrophobicContact CE3-CB 4.33Å; W517-A521 WeakPolarHBondContact O-CB 3.32Å; W517-A521 PolarHBondContact O-N 3.32Å; W517-A521 VanDerWaalsContact O-N 3.15Å
518T50Low59.3Low100 Ų10098.3 Ų98.361%0.61349%0.485SS*.Hα-helixtrans-69-39.5-155.743.70000115.1H516 T522H516-T518 PolarHBondContact O-N 2.92Å; T518-T522 WeakPolarHBondContact O-CB 3.4Å; T518-T522 PolarHBondContact O-N 2.67Å; T518-T522 PolarHBondContact O-OG1 2.79Å
519E49Very low60.7Low157 Ų15796.6 Ų96.673%0.73449%0.487SS*.Hα-helixtrans-87.9-44-169.8-139.8178-163.700114W517 T522 Y523W517-E519 PolarHBondContact O-N 2.93Å; E519-T522 WeakPolarHBondContact CA-OG1 3.39Å; E519-T522 PolarHBondContact O-N 3.02Å; E519-T522 PolarHBondContact O-OG1 2.99Å; E519-Y523 PolarHBondContact O-N 3.23Å; E519-Y523 VanDerWaalsContact O-N 3.16Å
520K54.2Low62.5Low122 Ų12297.3 Ų97.353%0.5350%0.495SS..Hα-helixtrans-70.4-34.1173.2-73.4-172.3-177.1175.10111.8D510 Y523 V524D510-K520 IonicContact OD1-NZ 3.48Å; D510-K520 PolarHBondContact OD1-NZ 2.95Å; D510-K520 IonicContact OD2-NZ 2.86Å; D510-K520 PolarHBondContact OD2-NZ 3.41Å; K520-Y523 PolarHBondContact O-N 3.25Å; K520-V524 WeakPolarHBondContact O-CG2 3.46Å; K520-V524 PolarHBondContact O-N 2.91Å
521A59.3Low64.4Low26 Ų2697.6 Ų97.622%0.21550%0.502CS..Hα-helixtrans-67.1-37.8175.100000111.6W517 Y523 V524 L525W517-A521 HydrophobicContact CB-CB 4.36Å; W517-A521 HydrophobicContact CE3-CB 4.33Å; W517-A521 WeakPolarHBondContact O-CB 3.32Å; W517-A521 PolarHBondContact O-N 3.32Å; W517-A521 VanDerWaalsContact O-N 3.15Å; A521-Y523 VanDerWaalsContact C-N 3.32Å; A521-Y523 PolarHBondContact O-N 3.28Å; A521-V524 PolarHBondContact O-N 3.34Å; A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 WeakPolarHBondContact O-CD1 3.4Å; A521-L525 WeakPolarHBondContact O-CG 3.42Å; A521-L525 PolarHBondContact O-N 3.2Å
522T68.5Low66.2Low85 Ų8598.3 Ų98.352%0.52151%0.512SS..Hα-helixtrans-63.8-39.7173.930.50000111.4T518 E519 L525 F526T518-T522 WeakPolarHBondContact O-CB 3.4Å; T518-T522 PolarHBondContact O-N 2.67Å; T518-T522 PolarHBondContact O-OG1 2.79Å; E519-T522 WeakPolarHBondContact CA-OG1 3.39Å; E519-T522 PolarHBondContact O-N 3.02Å; E519-T522 PolarHBondContact O-OG1 2.99Å; T522-L525 PolarHBondContact O-N 2.8Å; T522-F526 WeakPolarHBondContact O-CB 3.48Å; T522-F526 PolarHBondContact O-N 3Å
523Y72.7Confident67.9Low156 Ų156103.7 Ų103.761%0.61254%0.54SS*.Hα-helixtrans-63.9-45.2175.3-142.4-95.4000112.4E519 K520 A521 F526 W527E519-Y523 PolarHBondContact O-N 3.23Å; E519-Y523 VanDerWaalsContact O-N 3.16Å; K520-Y523 PolarHBondContact O-N 3.25Å; A521-Y523 VanDerWaalsContact C-N 3.32Å; A521-Y523 PolarHBondContact O-N 3.28Å; Y523-F526 PolarHBondContact O-N 2.75Å; Y523-W527 AromaticContact CD1-CD1 3.35Å; Y523-W527 AromaticContact CD1-NE1 3.6Å; Y523-W527 AromaticContact CE1-CD1 3.28Å; Y523-W527 AromaticContact CE1-NE1 3.01Å; Y523-W527 AromaticContact CZ-CD1 4Å; Y523-W527 AromaticContact CZ-NE1 3.32Å; Y523-W527 VanDerWaalsContact CZ-NE1 3.32Å; Y523-W527 VanDerWaalsContact O-CD1 3.29Å; Y523-W527 PolarHBondContact O-N 3.1Å
524V76.8Confident69.6Low107 Ų107100.3 Ų100.365%0.64854%0.537SS*.Hα-helixtrans-67.4-40.7177.6172.60000111.5K520 A521 G528K520-V524 WeakPolarHBondContact O-CG2 3.46Å; K520-V524 PolarHBondContact O-N 2.91Å; A521-V524 PolarHBondContact O-N 3.34Å; V524-G528 WeakPolarHBondContact O-CA 3.48Å; V524-G528 PolarHBondContact O-N 3.21Å
525L79.1Confident71.5Confident128 Ų12899 Ų9967%0.6753%0.534SS*.Hα-helixtrans-66-39.3175.1-77.2166000111.5A521 T522 G529A521-L525 WeakPolarHBondContact O-CB 3.36Å; A521-L525 WeakPolarHBondContact O-CD1 3.4Å; A521-L525 WeakPolarHBondContact O-CG 3.42Å; A521-L525 PolarHBondContact O-N 3.2Å; T522-L525 PolarHBondContact O-N 2.8Å; L525-G529 WeakPolarHBondContact O-CA 3.33Å; L525-G529 PolarHBondContact O-N 3.27Å
526F85.5Confident73.7Confident138 Ų138101 Ų10161%0.60554%0.535SS*.Hα-helixtrans-65.4-54.1178.1-178.8-95.4000111.3T522 Y523 G529 A530T522-F526 WeakPolarHBondContact O-CB 3.48Å; T522-F526 PolarHBondContact O-N 3Å; Y523-F526 PolarHBondContact O-N 2.75Å; F526-G529 PolarHBondContact O-N 2.67Å; F526-A530 WeakPolarHBondContact O-CB 3.48Å; F526-A530 PolarHBondContact O-N 2.88Å
527W84.9Confident75.9Confident137 Ų13796.2 Ų96.252%0.51952%0.52SS..Hα-helixtrans-73.1-34.9-179.4-73.9107000113.2Y523 A530 S531Y523-W527 AromaticContact CD1-CD1 3.35Å; Y523-W527 AromaticContact CD1-NE1 3.6Å; Y523-W527 AromaticContact CE1-CD1 3.28Å; Y523-W527 AromaticContact CE1-NE1 3.01Å; Y523-W527 AromaticContact CZ-CD1 4Å; Y523-W527 AromaticContact CZ-NE1 3.32Å; Y523-W527 VanDerWaalsContact CZ-NE1 3.32Å; Y523-W527 VanDerWaalsContact O-CD1 3.29Å; Y523-W527 PolarHBondContact O-N 3.1Å; W527-A530 PolarHBondContact O-N 3.49Å; W527-S531 WeakPolarHBondContact O-CB 3.36Å; W527-S531 PolarHBondContact O-N 2.96Å; W527-S531 PolarHBondContact O-OG 2.99Å
528G85.1Confident77.9Confident35 Ų3591.5 Ų91.536%0.36151%0.509SS..Hα-helixtrans-62.1-46.5171.200000111.3V524 S531 V532V524-G528 WeakPolarHBondContact O-CA 3.48Å; V524-G528 PolarHBondContact O-N 3.21Å; G528-S531 PolarHBondContact O-N 3.04Å; G528-V532 WeakPolarHBondContact O-CG2 3.18Å; G528-V532 PolarHBondContact O-N 2.76Å
529G87.9Confident79.4Confident33 Ų3395.8 Ų95.834%0.3452%0.52SS..Hα-helixtrans-61.2-46.6174.500000112.6L525 F526 S531 V532 L533L525-G529 WeakPolarHBondContact O-CA 3.33Å; L525-G529 PolarHBondContact O-N 3.27Å; F526-G529 PolarHBondContact O-N 2.67Å; G529-S531 VanDerWaalsContact C-N 3.31Å; G529-S531 PolarHBondContact O-N 3.23Å; G529-V532 PolarHBondContact O-N 3.32Å; G529-L533 WeakPolarHBondContact O-CB 3.11Å; G529-L533 PolarHBondContact O-N 2.58Å
530A88.2Confident81.1Confident33 Ų3391.8 Ų91.827%0.27351%0.514SS..Hα-helixtrans-61.2-38.4176.800000112.4F526 W527 S534F526-A530 WeakPolarHBondContact O-CB 3.48Å; F526-A530 PolarHBondContact O-N 2.88Å; W527-A530 PolarHBondContact O-N 3.49Å; A530-S534 WeakPolarHBondContact O-CB 3.47Å; A530-S534 PolarHBondContact O-N 3.26Å; A530-S534 PolarHBondContact O-OG 3.1Å
531S87.7Confident82.4Confident74 Ų7492.3 Ų92.352%0.51751%0.513SS..Hα-helixtrans-67.9-42.6177.5-57.90000111.8W527 G528 G529 S534 A535W527-S531 WeakPolarHBondContact O-CB 3.36Å; W527-S531 PolarHBondContact O-N 2.96Å; W527-S531 PolarHBondContact O-OG 2.99Å; G528-S531 PolarHBondContact O-N 3.04Å; G529-S531 VanDerWaalsContact C-N 3.31Å; G529-S531 PolarHBondContact O-N 3.23Å; S531-S534 PolarHBondContact O-N 2.89Å; S531-A535 WeakPolarHBondContact O-CB 3.41Å; S531-A535 PolarHBondContact O-N 3.47Å
532V90.6Very high82.9Confident90 Ų9091.8 Ų91.855%0.54551%0.511SS..Hα-helixtrans-65.5-43.4176.3172.30000111G528 G529 S534 A535 L536G528-V532 WeakPolarHBondContact O-CG2 3.18Å; G528-V532 PolarHBondContact O-N 2.76Å; G529-V532 PolarHBondContact O-N 3.32Å; V532-S534 VanDerWaalsContact C-N 3.33Å; V532-S534 PolarHBondContact O-N 3.14Å; V532-A535 PolarHBondContact O-N 3.49Å; V532-L536 HydrophobicContact CG1-CD1 4Å; V532-L536 WeakPolarHBondContact O-CB 3.49Å; V532-L536 WeakPolarHBondContact O-CG 3.27Å; V532-L536 PolarHBondContact O-N 2.92Å
533L89.1Confident83Confident123 Ų12394.4 Ų94.464%0.64452%0.521SS*.Hα-helixtrans-60.6-42.5174.6-107.5152.2000111.9G529 L536 A537G529-L533 WeakPolarHBondContact O-CB 3.11Å; G529-L533 PolarHBondContact O-N 2.58Å; L533-L536 PolarHBondContact O-N 3.26Å; L533-A537 WeakPolarHBondContact O-CB 3.16Å; L533-A537 PolarHBondContact O-N 3.42Å
534S85.3Confident82.9Confident67 Ų6793.4 Ų93.447%0.46953%0.527SS..Hα-helixtrans-64.6-43.6176.7-57.70000111.3A530 S531 V532 A537 I538A530-S534 WeakPolarHBondContact O-CB 3.47Å; A530-S534 PolarHBondContact O-N 3.26Å; A530-S534 PolarHBondContact O-OG 3.1Å; S531-S534 PolarHBondContact O-N 2.89Å; V532-S534 VanDerWaalsContact C-N 3.33Å; V532-S534 PolarHBondContact O-N 3.14Å; S534-A537 PolarHBondContact O-N 3.46Å; S534-I538 WeakPolarHBondContact O-CD1 3.47Å; S534-I538 VanDerWaalsContact O-CG1 3.24Å; S534-I538 WeakPolarHBondContact O-CG1 2.97Å; S534-I538 PolarHBondContact O-N 2.82Å
535A85.3Confident82.1Confident46 Ų4695.9 Ų95.938%0.3853%0.529SS..Hα-helixtrans-63.4-42.7176.200000111.9S531 V532 I538 F539S531-A535 WeakPolarHBondContact O-CB 3.41Å; S531-A535 PolarHBondContact O-N 3.47Å; V532-A535 PolarHBondContact O-N 3.49Å; A535-I538 PolarHBondContact O-N 3.5Å; A535-F539 WeakPolarHBondContact O-CD2 3.47Å; A535-F539 PolarHBondContact O-N 2.87Å
536L88.2Confident80.9Confident111 Ų11194 Ų9458%0.58152%0.523SS*.Hα-helixtrans-63.5-40.9175.3-78.1168.6000112V532 L533 F539 A540V532-L536 HydrophobicContact CG1-CD1 4Å; V532-L536 WeakPolarHBondContact O-CB 3.49Å; V532-L536 WeakPolarHBondContact O-CG 3.27Å; V532-L536 PolarHBondContact O-N 2.92Å; L533-L536 PolarHBondContact O-N 3.26Å; L536-F539 PolarHBondContact O-N 2.94Å; L536-A540 VanDerWaalsContact O-CB 3.28Å; L536-A540 WeakPolarHBondContact O-CB 3.4Å; L536-A540 PolarHBondContact O-N 3.2Å
537A85Confident79.3Confident40 Ų4095.1 Ų95.133%0.33154%0.535SS..Hα-helixtrans-64.3-42.2175.200000111.6L533 S534 F539 A540 Y541L533-A537 WeakPolarHBondContact O-CB 3.16Å; L533-A537 PolarHBondContact O-N 3.42Å; S534-A537 PolarHBondContact O-N 3.46Å; A537-F539 VanDerWaalsContact C-N 3.32Å; A537-F539 PolarHBondContact O-N 3.12Å; A537-A540 PolarHBondContact O-N 3.09Å; A537-Y541 HydrophobicContact CB-CD2 4.44Å; A537-Y541 WeakPolarHBondContact O-CB 3.47Å; A537-Y541 WeakPolarHBondContact O-CD2 3.3Å; A537-Y541 PolarHBondContact O-N 2.92Å
538I83.6Confident77.8Confident114 Ų11495.3 Ų95.359%0.58554%0.541SS*.Hα-helixtrans-62.9-39.4174.9-68.5163.7000111S534 A535 G542S534-I538 WeakPolarHBondContact O-CD1 3.47Å; S534-I538 VanDerWaalsContact O-CG1 3.24Å; S534-I538 WeakPolarHBondContact O-CG1 2.97Å; S534-I538 PolarHBondContact O-N 2.82Å; A535-I538 PolarHBondContact O-N 3.5Å; I538-G542 WeakPolarHBondContact O-CA 3.4Å; I538-G542 PolarHBondContact O-N 3.39Å
539F82.1Confident76Confident189 Ų18997.5 Ų97.583%0.82955%0.549SS*.Hα-helixtrans-71.8-35.4177-96.2-77.2000113.3A535 L536 A537A535-F539 WeakPolarHBondContact O-CD2 3.47Å; A535-F539 PolarHBondContact O-N 2.87Å; L536-F539 PolarHBondContact O-N 2.94Å; A537-F539 VanDerWaalsContact C-N 3.32Å; A537-F539 PolarHBondContact O-N 3.12Å
540A84.2Confident74.2Confident74 Ų74107.8 Ų107.861%0.61258%0.578SS**Hα-helixtrans-80.2-34.6-177.800000113.2L536 A537L536-A540 VanDerWaalsContact O-CB 3.28Å; L536-A540 WeakPolarHBondContact O-CB 3.4Å; L536-A540 PolarHBondContact O-N 3.2Å; A537-A540 PolarHBondContact O-N 3.09Å
541Y82.7Confident72.4Confident132 Ų132114.7 Ų114.752%0.51860%0.602SS.*Hα-helixtrans-116.211.6-175.6-58.3-75.7000112.5A537 D543 D544 F545A537-Y541 HydrophobicContact CB-CD2 4.44Å; A537-Y541 WeakPolarHBondContact O-CB 3.47Å; A537-Y541 WeakPolarHBondContact O-CD2 3.3Å; A537-Y541 PolarHBondContact O-N 2.92Å; Y541-D543 PolarHBondContact O-N 3.26Å; Y541-D543 VanDerWaalsContact O-N 3.17Å; Y541-D544 WeakPolarHBondContact O-CB 3.47Å; Y541-D544 PolarHBondContact O-N 2.83Å; Y541-F545 WeakPolarHBondContact O-CD2 3.47Å; Y541-F545 PolarHBondContact O-N 3.43Å
542G69.4Low70.3Confident16 Ų16116.5 Ų116.517%0.16561%0.613CS.*Hα-helixtrans-55.2-36.3-176.100000112.9I538 D544 F545 V546I538-G542 WeakPolarHBondContact O-CA 3.4Å; I538-G542 PolarHBondContact O-N 3.39Å; G542-D544 VanDerWaalsContact C-N 3.29Å; G542-D544 PolarHBondContact O-N 3.06Å; G542-F545 PolarHBondContact O-N 3.31Å; G542-V546 WeakPolarHBondContact O-CG2 3.27Å; G542-V546 PolarHBondContact O-N 3.27Å
543D69Low68.7Low139 Ų139118.2 Ų118.274%0.74363%0.626SS**Hα-helixtrans-67.7-26.8177.4-66.4-23.8000112.9Y541Y541-D543 PolarHBondContact O-N 3.26Å; Y541-D543 VanDerWaalsContact O-N 3.17Å
544D70.6Confident66.8Low135 Ų135123.9 Ų123.972%0.72266%0.657SS**Hα-helixtrans-80.3-26.1174.5-69.3-31.6000112.3Y541 G542Y541-D544 WeakPolarHBondContact O-CB 3.47Å; Y541-D544 PolarHBondContact O-N 2.83Å; G542-D544 VanDerWaalsContact C-N 3.29Å; G542-D544 PolarHBondContact O-N 3.06Å
545F61.6Low65.9Low160 Ų160126.8 Ų126.870%0.70267%0.667SS**Hα-helixtrans-92.8-23.4-177.1-71.6-65.2000113.8Y541 G542 N547Y541-F545 WeakPolarHBondContact O-CD2 3.47Å; Y541-F545 PolarHBondContact O-N 3.43Å; G542-F545 PolarHBondContact O-N 3.31Å; F545-N547 PolarHBondContact O-N 3.19Å
546V53.4Low64.9Low89 Ų89131 Ų13154%0.53968%0.682SS.*SBendtrans-94.196.2177.2-177.30000108.4G542 H548G542-V546 WeakPolarHBondContact O-CG2 3.27Å; G542-V546 PolarHBondContact O-N 3.27Å; V546-H548 PolarHBondContact O-N 2.87Å
547N52.5Low63.6Low161 Ų161132.1 Ų132.186%0.86169%0.688SS**  trans-53.8105.1163.4-107.9-35.9000108F545 P549F545-N547 PolarHBondContact O-N 3.19Å; N547-P549 WeakPolarHBondContact O-CD 3.46Å; N547-P549 VanDerWaalsContact O-N 3.16Å
548H52Low62.3Low140 Ų140137.5 Ų137.565%0.64871%0.709SS**  trans-53.9124.1175-79.9-65.8000108.4V546 R550V546-H548 PolarHBondContact O-N 2.87Å; H548-R550 PolarHBondContact O-N 3.25Å
549P48.9Very low61Low82 Ų82139 Ų13953%0.53272%0.716SS.*  trans-62.2113.2175.824.5-31.8000107.9N547 F551N547-P549 WeakPolarHBondContact O-CD 3.46Å; N547-P549 VanDerWaalsContact O-N 3.16Å; P549-F551 HydrophobicContact CB-CD2 3.82Å; P549-F551 HydrophobicContact CB-CE2 3.4Å; P549-F551 VanDerWaalsContact CB-CE2 3.4Å; P549-F551 HydrophobicContact CB-CZ 3.86Å; P549-F551 HydrophobicContact CG-CD2 3.87Å; P549-F551 HydrophobicContact CG-CE2 3.36Å; P549-F551 HydrophobicContact CG-CZ 4.18Å; P549-F551 WeakPolarHBondContact O-CD2 3.4Å; P549-F551 PolarHBondContact O-N 3.06Å
550R49.9Very low59.6Low249 Ų249135.7 Ų135.794%0.9471%0.709SS**  trans-67.986173-68.1-175-177.5-171.90.2108.1H548 C552H548-R550 PolarHBondContact O-N 3.25Å; R550-C552 PolarHBondContact O-N 3.48Å
551F49.8Very low57.8Low178 Ų178140.1 Ų140.178%0.78172%0.716SS**  trans-81.3100170.6-70.9-67.8000108.5P549P549-F551 HydrophobicContact CB-CD2 3.82Å; P549-F551 HydrophobicContact CB-CE2 3.4Å; P549-F551 VanDerWaalsContact CB-CE2 3.4Å; P549-F551 HydrophobicContact CB-CZ 3.86Å; P549-F551 HydrophobicContact CG-CD2 3.87Å; P549-F551 HydrophobicContact CG-CE2 3.36Å; P549-F551 HydrophobicContact CG-CZ 4.18Å; P549-F551 WeakPolarHBondContact O-CD2 3.4Å; P549-F551 PolarHBondContact O-N 3.06Å
552C43.5Very low55.9Low112 Ų112140.7 Ų140.776%0.75773%0.731SS**  trans73.1127.6-179.8-73.60000117.3R550R550-C552 PolarHBondContact O-N 3.48Å
553P56.2Low54.8Low126 Ų126151.1 Ų151.182%0.81878%0.778SS**  trans-78.4132.8158.928.1-19.3000109.6
554D50.5Low53.5Low242 Ų242152.2 Ų152.2100%1.29478%0.781SS**  trans-61.80165.6-71.7-36.2000112.2

Retrieved 554 of 554 residues in 195.3 ms (Link to these results)

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