A0A077ZM81_TRITR Loading...

Lethal protein 754

AlphaFold DB , UniProt , Accession A0A077ZM81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M94.7Very high96.6Very high75 Ų7515.4 Ų15.437%0.3699%0.09SC..  087.70-171.4-178.1-65.100109.1L3 Y24 I26 G80 F81 D108 I213M1-L3 HydrophobicContact CG-CD1 3.98Å; M1-L3 HydrophobicContact CG-CD2 4.28Å; M1-L3 HydrophobicContact CG-CG 3.94Å; M1-L3 HydrophobicContact SD-CD1 4.11Å; M1-Y24 HydrophobicContact CE-CD1 3.6Å; M1-Y24 HydrophobicContact CE-CE1 4.02Å; M1-Y24 HydrophobicContact CE-CG 4.14Å; M1-Y24 HydrophobicContact SD-CD1 3.87Å; M1-Y24 HydrophobicContact SD-CD2 4.4Å; M1-Y24 HydrophobicContact SD-CG 3.76Å; M1-I26 HydrophobicContact CG-CD1 4.4Å; M1-I26 HydrophobicContact SD-CD1 4.18Å; M1-G80 CarbonylContact O-C 3.45Å; M1-G80 WeakPolarHBondContact O-CA 3.43Å; M1-F81 PolarHBondContact O-N 3.13Å; M1-D108 VanDerWaalsContact C-OD2 3.29Å; M1-D108 WeakPolarHBondContact CA-OD2 3.35Å; M1-D108 PolarHBondContact N-OD2 2.83Å; M1-I213 HydrophobicContact CE-CG2 3.2Å; M1-I213 HydrophobicContact CG-CG2 4.43Å; M1-I213 HydrophobicContact SD-CG2 3.5Å; M1-I213 VanDerWaalsContact SD-CG2 3.5Å
2N98.1Very high96.4Very high15 Ų1516.1 Ų16.18%0.0810%0.103CC..EExtended strand (participates in β ladder)trans-118107.6-179.5-62.5-27.8000107.5G80 F81 K106 I107 D108N2-G80 WeakPolarHBondContact OD1-CA 3.3Å; N2-F81 WeakPolarHBondContact CA-O 3.44Å; N2-F81 HydrophobicContact CB-CD1 4.31Å; N2-F81 HydrophobicContact CB-CD2 4.48Å; N2-F81 HydrophobicContact CB-CE1 3.73Å; N2-F81 HydrophobicContact CB-CE2 3.92Å; N2-F81 HydrophobicContact CB-CZ 3.51Å; N2-F81 VanDerWaalsContact OD1-CD1 3.23Å; N2-F81 WeakPolarHBondContact OD1-CD1 3.44Å; N2-F81 WeakPolarHBondContact OD1-CE1 2.96Å; N2-K106 WeakPolarHBondContact CB-O 3.33Å; N2-K106 PolarHBondContact ND2-O 3.21Å; N2-I107 HydrophobicContact CB-CD1 4.36Å; N2-D108 PolarHBondContact N-OD2 3.31Å; N2-D108 PolarHBondContact O-N 3.32Å
3L98.6Very high96.3Very high3 Ų316.8 Ų16.82%0.01610%0.104CC..EExtended strand (participates in β ladder)trans-114.6148.5-169.4-59174.7000110.5M1 I20 I26 F81 L82 L83 A109 I213M1-L3 HydrophobicContact CG-CD1 3.98Å; M1-L3 HydrophobicContact CG-CD2 4.28Å; M1-L3 HydrophobicContact CG-CG 3.94Å; M1-L3 HydrophobicContact SD-CD1 4.11Å; L3-I20 HydrophobicContact CD1-CG2 4.06Å; L3-I26 HydrophobicContact CD1-CD1 4.2Å; L3-F81 PolarHBondContact N-O 3.49Å; L3-L82 HydrophobicContact CB-CD1 3.65Å; L3-L82 HydrophobicContact CD1-CD1 4.45Å; L3-L83 PolarHBondContact O-N 3.43Å; L3-A109 WeakPolarHBondContact CA-O 3.28Å; L3-A109 HydrophobicContact CD2-CB 3.76Å; L3-I213 HydrophobicContact CD1-CD1 3.63Å; L3-I213 HydrophobicContact CD1-CG1 3.84Å; L3-I213 HydrophobicContact CD2-CG1 4.37Å
4I98.6Very high96Very high1 Ų117.5 Ų17.51%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-114.9130.7165.7-56.1-178.4000108M6 L83 L96 I107 A109 V110 I111 Y187I4-M6 HydrophobicContact CG2-CG 3.75Å; I4-L83 HydrophobicContact CG1-CB 4.36Å; I4-L83 HydrophobicContact CG1-CD1 4.16Å; I4-L96 HydrophobicContact CD1-CD2 3.64Å; I4-L96 HydrophobicContact CG1-CD2 4.48Å; I4-I107 HydrophobicContact CD1-CD1 3.93Å; I4-I107 HydrophobicContact CD1-CG1 3.9Å; I4-I107 HydrophobicContact CD1-CG2 4.23Å; I4-I107 HydrophobicContact CG1-CD1 3.79Å; I4-I107 HydrophobicContact CG1-CG1 4.23Å; I4-I107 HydrophobicContact CG1-CG2 4.17Å; I4-A109 PolarHBondContact N-O 3.31Å; I4-V110 HydrophobicContact CB-CB 4.36Å; I4-V110 HydrophobicContact CB-CG1 4.11Å; I4-V110 HydrophobicContact CB-CG2 3.99Å; I4-V110 HydrophobicContact CD1-CG2 3.94Å; I4-V110 HydrophobicContact CG1-CG2 4.22Å; I4-V110 HydrophobicContact CG2-CG1 4.21Å; I4-V110 CarbonylContact O-C 3.58Å; I4-V110 WeakPolarHBondContact O-CA 3.12Å; I4-I111 PolarHBondContact O-N 3.25Å; I4-Y187 HydrophobicContact CD1-CE1 4.11Å; I4-Y187 HydrophobicContact CD1-CE2 3.99Å; I4-Y187 VanDerWaalsContact CD1-OH 3.27Å; I4-Y187 WeakPolarHBondContact CD1-OH 2.92Å
5L98.2Very high95.9Very high2 Ų218.3 Ų18.31%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-105.5112.3172.3-165.662.4000110.3K13 Q16 A17 L82 L83 I111 I113L5-K13 HydrophobicContact CD2-CB 3.9Å; L5-K13 HydrophobicContact CD2-CG 4.41Å; L5-K13 WeakPolarHBondContact CD2-O 3.46Å; L5-K13 HydrophobicContact CG-CB 4.21Å; L5-K13 HydrophobicContact CG-CD 4.49Å; L5-K13 HydrophobicContact CG-CG 4.19Å; L5-Q16 HydrophobicContact CD2-CB 4.39Å; L5-A17 HydrophobicContact CD2-CB 3.94Å; L5-L82 HydrophobicContact CB-CD1 4.07Å; L5-L83 PolarHBondContact N-O 3Å; L5-I111 HydrophobicContact CD1-CB 3.97Å; L5-I111 HydrophobicContact CD1-CG2 3.82Å; L5-I113 HydrophobicContact CD1-CD1 3.99Å; L5-I113 HydrophobicContact CD1-CG1 3.92Å
6M97.6Very high95.9Very high13 Ų1317.5 Ų17.56%0.06412%0.115CC..EExtended strand (participates in β ladder)trans-109.5169179.7-67.1-159.871.500111.7I4 V110 I111 E112 I113 I183 L184 Y187I4-M6 HydrophobicContact CG2-CG 3.75Å; M6-V110 HydrophobicContact CG-CG1 3.82Å; M6-V110 HydrophobicContact SD-CG1 3.71Å; M6-I111 PolarHBondContact N-O 2.85Å; M6-E112 HydrophobicContact CB-CB 4.37Å; M6-E112 HydrophobicContact CB-CG 4.46Å; M6-I113 PolarHBondContact O-N 3.49Å; M6-I183 HydrophobicContact CE-CB 3.95Å; M6-I183 HydrophobicContact CE-CD1 4.28Å; M6-I183 HydrophobicContact CE-CG2 3.49Å; M6-I183 VanDerWaalsContact CE-CG2 3.49Å; M6-I183 HydrophobicContact SD-CG2 3.7Å; M6-L184 HydrophobicContact CE-CD2 4.09Å; M6-L184 HydrophobicContact CE-CG 4.43Å; M6-L184 HydrophobicContact SD-CD2 3.92Å; M6-Y187 HydrophobicContact SD-CD2 4.35Å
7G96.5Very high95.9Very high11 Ų1116.5 Ų16.511%0.11311%0.108CC..  trans134.1157.7-177.200000111K13 I113G7-K13 WeakPolarHBondContact O-CE 3.12Å; G7-K13 PolarHBondContact O-NZ 2.94Å; G7-I113 WeakPolarHBondContact CA-O 3.29Å
8L95.7Very high95.8Very high28 Ų2818.9 Ų18.915%0.14712%0.118CC..  trans-67.3158.7-177.3-65.6177.1000112.2G10 A11 K13 E117 L120 L173 N176 V177L8-G10 PolarHBondContact O-N 2.74Å; L8-A11 WeakPolarHBondContact O-CB 3.29Å; L8-A11 PolarHBondContact O-N 2.99Å; L8-K13 PolarHBondContact O-NZ 2.77Å; L8-E117 HydrophobicContact CD1-CG 4Å; L8-L120 HydrophobicContact CB-CD1 3.4Å; L8-L120 HydrophobicContact CD1-CD1 3.53Å; L8-L120 HydrophobicContact CG-CD1 4.11Å; L8-L173 HydrophobicContact CB-CD2 4.45Å; L8-N176 HydrophobicContact CD2-CB 3.81Å; L8-V177 HydrophobicContact CD1-CG2 3.85Å; L8-V177 HydrophobicContact CD2-CG2 3.77Å; L8-V177 HydrophobicContact CG-CG2 4.5Å
9P94.4Very high95.8Very high6 Ų622.5 Ų22.54%0.03913%0.129CC..THydrogen-bonded Turntrans-50.4128.3168.6-26.233000111.2L120 L124 R172 L173 N176P9-L120 WeakPolarHBondContact O-CD2 3.41Å; P9-L124 HydrophobicContact CB-CD1 4Å; P9-L124 HydrophobicContact CB-CD2 4.19Å; P9-R172 HydrophobicContact CB-CG 4.32Å; P9-R172 HydrophobicContact CG-CG 3.9Å; P9-L173 HydrophobicContact CB-CD2 4.14Å; P9-L173 HydrophobicContact CG-CD2 4.28Å; P9-N176 HydrophobicContact CG-CB 4.12Å
10G94Very high95.8Very high13 Ų1321.4 Ų21.413%0.13412%0.122CC..THydrogen-bonded Turntrans91.7-9-177.300000114.8L8 G12 R123L8-G10 PolarHBondContact O-N 2.74Å; G10-G12 PolarHBondContact O-N 3.27Å; G10-R123 WeakPolarHBondContact O-CD 3.39Å
11A95.9Very high95.8Very high2 Ų222.2 Ų22.22%0.01713%0.128CC..SBendtrans-67.3-5.6-178.500000115.3L8 I113 V115 L120L8-A11 WeakPolarHBondContact O-CB 3.29Å; L8-A11 PolarHBondContact O-N 2.99Å; A11-I113 HydrophobicContact CB-CB 4.5Å; A11-I113 HydrophobicContact CB-CG2 4.32Å; A11-I113 WeakPolarHBondContact CB-O 3.31Å; A11-I113 WeakPolarHBondContact O-CG2 3.4Å; A11-V115 HydrophobicContact CB-CB 4.35Å; A11-V115 HydrophobicContact CB-CG2 3.96Å; A11-L120 HydrophobicContact CB-CD2 4.26Å
12G94.1Very high95.8Very high24 Ų2422.7 Ų22.725%0.24714%0.143CC..SBendtrans93.810.7-178.500000115.2G10 G14 T15 Q16G10-G12 PolarHBondContact O-N 3.27Å; G12-G14 PolarHBondContact O-N 2.7Å; G12-T15 WeakPolarHBondContact O-CB 3.32Å; G12-T15 PolarHBondContact O-N 3.24Å; G12-T15 VanDerWaalsContact O-N 3.14Å; G12-Q16 PolarHBondContact O-N 2.81Å; G12-Q16 VanDerWaalsContact O-N 3.08Å
13K95.2Very high95.7Very high25 Ų2525.3 Ų25.311%0.10916%0.16CC..Hα-helixtrans-49.1-52177.8-65.1-169.4-61.4-69.40113.8L5 G7 L8 T15 Q16 A17L5-K13 HydrophobicContact CD2-CB 3.9Å; L5-K13 HydrophobicContact CD2-CG 4.41Å; L5-K13 WeakPolarHBondContact CD2-O 3.46Å; L5-K13 HydrophobicContact CG-CB 4.21Å; L5-K13 HydrophobicContact CG-CD 4.49Å; L5-K13 HydrophobicContact CG-CG 4.19Å; G7-K13 WeakPolarHBondContact O-CE 3.12Å; G7-K13 PolarHBondContact O-NZ 2.94Å; L8-K13 PolarHBondContact O-NZ 2.77Å; K13-T15 VanDerWaalsContact C-N 3.3Å; K13-T15 PolarHBondContact O-N 3.36Å; K13-Q16 PolarHBondContact O-N 3.07Å; K13-Q16 VanDerWaalsContact O-N 3.16Å; K13-A17 VanDerWaalsContact O-CB 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.34Å; K13-A17 PolarHBondContact O-N 3.12Å
14G93Very high95.6Very high27 Ų2727.3 Ų27.328%0.27817%0.168SC..Hα-helixtrans-59.1-41.1-179.200000112.6G12 Q16 A17 E18G12-G14 PolarHBondContact O-N 2.7Å; G14-Q16 PolarHBondContact O-N 3.03Å; G14-A17 PolarHBondContact O-N 3.17Å; G14-E18 WeakPolarHBondContact O-CG 3.17Å; G14-E18 PolarHBondContact O-N 3.48Å
15T93.4Very high95.5Very high29 Ų2932.8 Ų32.818%0.17820%0.197CC..Hα-helixtrans-60.7-46.3175.9-52.40000111.7G12 K13 R19 I202G12-T15 WeakPolarHBondContact O-CB 3.32Å; G12-T15 PolarHBondContact O-N 3.24Å; G12-T15 VanDerWaalsContact O-N 3.14Å; K13-T15 VanDerWaalsContact C-N 3.3Å; K13-T15 PolarHBondContact O-N 3.36Å; T15-R19 PolarHBondContact O-N 2.99Å; T15-I202 HydrophobicContact CG2-CD1 3.91Å; T15-I202 HydrophobicContact CG2-CG1 4.08Å; T15-I202 HydrophobicContact CG2-CG2 3.64Å
16Q96.4Very high95.4Very high6 Ų633 Ų333%0.02820%0.198CC..Hα-helixtrans-72.1-36.5179.5-61.8-57.7-27.300111.9L5 G12 K13 G14 E18 R19 I20 I113 I202 V205 F206L5-Q16 HydrophobicContact CD2-CB 4.39Å; G12-Q16 PolarHBondContact O-N 2.81Å; G12-Q16 VanDerWaalsContact O-N 3.08Å; K13-Q16 PolarHBondContact O-N 3.07Å; K13-Q16 VanDerWaalsContact O-N 3.16Å; G14-Q16 PolarHBondContact O-N 3.03Å; Q16-E18 VanDerWaalsContact C-N 3.34Å; Q16-E18 PolarHBondContact O-N 3.27Å; Q16-R19 PolarHBondContact O-N 3.2Å; Q16-R19 VanDerWaalsContact O-N 3.16Å; Q16-I20 VanDerWaalsContact O-CG1 3.25Å; Q16-I20 WeakPolarHBondContact O-CG1 3.34Å; Q16-I20 PolarHBondContact O-N 2.8Å; Q16-I113 HydrophobicContact CB-CD1 3.79Å; Q16-I113 HydrophobicContact CG-CD1 3.44Å; Q16-I113 VanDerWaalsContact CG-CD1 3.44Å; Q16-I202 PolarHBondContact NE2-O 3.36Å; Q16-V205 HydrophobicContact CG-CG1 4.01Å; Q16-F206 VanDerWaalsContact OE1-CA 3.31Å; Q16-F206 VanDerWaalsContact OE1-CB 3.24Å
17A96.6Very high95.4Very high0 Ų033.2 Ų33.20%020%0.2CC..Hα-helixtrans-58.7-44.1175.600000112.2L5 K13 G14 R19 I20 V21 L82L5-A17 HydrophobicContact CD2-CB 3.94Å; K13-A17 VanDerWaalsContact O-CB 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.34Å; K13-A17 PolarHBondContact O-N 3.12Å; G14-A17 PolarHBondContact O-N 3.17Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.33Å; A17-I20 PolarHBondContact O-N 2.68Å; A17-V21 WeakPolarHBondContact O-CB 3.42Å; A17-V21 WeakPolarHBondContact O-CG2 3.15Å; A17-V21 PolarHBondContact O-N 2.92Å; A17-L82 HydrophobicContact CB-CD2 3.53Å
18E93.3Very high95.4Very high61 Ų6135.4 Ų35.429%0.28521%0.208SC..Hα-helixtrans-60-40.9176.1-72.2179164.200112.1G14 Q16 A22 R152G14-E18 WeakPolarHBondContact O-CG 3.17Å; G14-E18 PolarHBondContact O-N 3.48Å; Q16-E18 VanDerWaalsContact C-N 3.34Å; Q16-E18 PolarHBondContact O-N 3.27Å; E18-A22 VanDerWaalsContact O-CB 3.28Å; E18-A22 WeakPolarHBondContact O-CB 3.23Å; E18-A22 PolarHBondContact O-N 3.42Å; E18-R152 IonicContact OE1-CZ 2.77Å; E18-R152 IonicContact OE1-NH1 2.79Å; E18-R152 PolarHBondContact OE1-NH1 3.45Å; E18-R152 IonicContact OE1-NH2 2.62Å; E18-R152 PolarHBondContact OE1-NH2 2.73Å; E18-R152 IonicContact OE2-CZ 3.92Å; E18-R152 IonicContact OE2-NH2 3Å; E18-R152 PolarHBondContact OE2-NH2 3.21Å
19R95.1Very high95.5Very high86 Ų8634.1 Ų34.133%0.32520%0.201SC..Hα-helixtrans-68.9-43.1177-67.9-170.2132.3-135.9-1.3112.6T15 Q16 A17 V21 A22 T23 D203 F206T15-R19 PolarHBondContact O-N 2.99Å; Q16-R19 PolarHBondContact O-N 3.2Å; Q16-R19 VanDerWaalsContact O-N 3.16Å; A17-R19 VanDerWaalsContact C-N 3.31Å; A17-R19 PolarHBondContact O-N 3.33Å; R19-V21 PolarHBondContact O-N 2.69Å; R19-A22 PolarHBondContact O-N 2.79Å; R19-T23 VanDerWaalsContact O-CB 3.3Å; R19-T23 WeakPolarHBondContact O-CB 3.47Å; R19-T23 PolarHBondContact O-N 3.24Å; R19-T23 PolarHBondContact O-OG1 3.34Å; R19-D203 IonicContact CZ-OD1 2.69Å; R19-D203 IonicContact NE-OD1 3.61Å; R19-D203 IonicContact NH1-OD1 3.63Å; R19-D203 PolarHBondContact NH1-OD1 3.07Å; R19-D203 VanDerWaalsContact NH1-OD1 3.16Å; R19-D203 IonicContact NH2-OD1 3.42Å; R19-D203 PolarHBondContact NH2-OD1 3.14Å; R19-F206 HydrophobicContact CB-CD1 4.42Å; R19-F206 HydrophobicContact CB-CD2 3.48Å; R19-F206 VanDerWaalsContact CB-CD2 3.48Å; R19-F206 HydrophobicContact CB-CE1 4.28Å; R19-F206 HydrophobicContact CB-CE2 3.36Å; R19-F206 HydrophobicContact CB-CG 4.04Å; R19-F206 HydrophobicContact CB-CZ 3.79Å; R19-F206 HydrophobicContact CG-CD2 4.38Å
20I97.3Very high95.6Very high0 Ų034.3 Ų34.30%020%0.202CC..Hα-helixtrans-58.5-49.9175.8-66.6164.4000109.7L3 Q16 A17 A22 T23 Y24 I26 L82 F206 V209 I213L3-I20 HydrophobicContact CD1-CG2 4.06Å; Q16-I20 VanDerWaalsContact O-CG1 3.25Å; Q16-I20 WeakPolarHBondContact O-CG1 3.34Å; Q16-I20 PolarHBondContact O-N 2.8Å; A17-I20 PolarHBondContact O-N 2.68Å; I20-A22 PolarHBondContact O-N 3.29Å; I20-T23 PolarHBondContact O-N 3.48Å; I20-Y24 HydrophobicContact CG2-CD2 4.03Å; I20-Y24 WeakPolarHBondContact O-CD2 3.46Å; I20-Y24 PolarHBondContact O-N 3.06Å; I20-I26 HydrophobicContact CG2-CD1 4.11Å; I20-L82 HydrophobicContact CB-CD2 4.17Å; I20-L82 HydrophobicContact CD1-CD1 4.24Å; I20-L82 HydrophobicContact CD1-CD2 4.15Å; I20-L82 HydrophobicContact CG2-CD1 4.5Å; I20-L82 HydrophobicContact CG2-CD2 4.12Å; I20-F206 HydrophobicContact CG1-CE2 3.99Å; I20-V209 HydrophobicContact CD1-CG1 3.82Å; I20-V209 HydrophobicContact CG1-CG1 3.85Å; I20-I213 HydrophobicContact CG1-CD1 4.19Å; I20-I213 HydrophobicContact CG2-CD1 4.22Å
21V95.4Very high95.7Very high40 Ų4033.9 Ų33.924%0.24220%0.197CC..Hα-helixtrans-64.7-41.6-177.1167.30000111.4A17 R19 T23 N25 I26 H28 L82A17-V21 WeakPolarHBondContact O-CB 3.42Å; A17-V21 WeakPolarHBondContact O-CG2 3.15Å; A17-V21 PolarHBondContact O-N 2.92Å; R19-V21 PolarHBondContact O-N 2.69Å; V21-T23 VanDerWaalsContact C-N 3.33Å; V21-T23 PolarHBondContact O-N 3.44Å; V21-N25 VanDerWaalsContact O-CA 3.29Å; V21-N25 WeakPolarHBondContact O-CA 3.3Å; V21-N25 PolarHBondContact O-N 3.1Å; V21-I26 WeakPolarHBondContact CG1-O 3.27Å; V21-H28 HydrophobicContact CG2-CB 3.63Å; V21-L82 HydrophobicContact CG2-CD2 4.03Å
22A93.8Very high95.6Very high84 Ų8434 Ų3469%0.69420%0.198SC*.Hα-helixtrans-64.6-37176.100000112.7E18 R19 I20E18-A22 VanDerWaalsContact O-CB 3.28Å; E18-A22 WeakPolarHBondContact O-CB 3.23Å; E18-A22 PolarHBondContact O-N 3.42Å; R19-A22 PolarHBondContact O-N 2.79Å; I20-A22 PolarHBondContact O-N 3.29Å
23T96.9Very high95.6Very high71 Ų7135.9 Ų35.944%0.43620%0.203SC..Hα-helixtrans-81-46.3-175-550000112.1R19 I20 V21 F206R19-T23 VanDerWaalsContact O-CB 3.3Å; R19-T23 WeakPolarHBondContact O-CB 3.47Å; R19-T23 PolarHBondContact O-N 3.24Å; R19-T23 PolarHBondContact O-OG1 3.34Å; I20-T23 PolarHBondContact O-N 3.48Å; V21-T23 VanDerWaalsContact C-N 3.33Å; V21-T23 PolarHBondContact O-N 3.44Å; T23-F206 HydrophobicContact CG2-CZ 4.41Å; T23-F206 WeakPolarHBondContact OG1-CZ 3.45Å
24Y96.8Very high95.6Very high45 Ų4537.2 Ų37.218%0.17621%0.21CC..Hα-helixtrans-99.9-2.9-173-60.6-77.2000113.8M1 I20 I26 I213 E214M1-Y24 HydrophobicContact CE-CD1 3.6Å; M1-Y24 HydrophobicContact CE-CE1 4.02Å; M1-Y24 HydrophobicContact CE-CG 4.14Å; M1-Y24 HydrophobicContact SD-CD1 3.87Å; M1-Y24 HydrophobicContact SD-CD2 4.4Å; M1-Y24 HydrophobicContact SD-CG 3.76Å; I20-Y24 HydrophobicContact CG2-CD2 4.03Å; I20-Y24 WeakPolarHBondContact O-CD2 3.46Å; I20-Y24 PolarHBondContact O-N 3.06Å; Y24-I26 VanDerWaalsContact C-N 3.29Å; Y24-I26 PolarHBondContact O-N 3.11Å; Y24-I213 HydrophobicContact CD1-CG2 4.11Å; Y24-I213 HydrophobicContact CD2-CD1 4.16Å; Y24-I213 HydrophobicContact CD2-CG2 4.37Å; Y24-I213 HydrophobicContact CE1-CG2 3.6Å; Y24-I213 HydrophobicContact CE2-CB 4.37Å; Y24-I213 HydrophobicContact CE2-CD1 3.66Å; Y24-I213 HydrophobicContact CE2-CG2 3.94Å; Y24-I213 HydrophobicContact CG-CG2 4.45Å; Y24-E214 HydrophobicContact CE1-CG 4.33Å; Y24-E214 WeakPolarHBondContact OH-CG 3.35Å; Y24-E214 PolarHBondContact OH-OE1 3.45Å
25N95.6Very high95.7Very high115 Ų11536.3 Ų36.362%0.61520%0.199SC*.  trans51.545.7177.7-173.523.4000112.8V21 K79V21-N25 VanDerWaalsContact O-CA 3.29Å; V21-N25 WeakPolarHBondContact O-CA 3.3Å; V21-N25 PolarHBondContact O-N 3.1Å; N25-K79 WeakPolarHBondContact O-CE 3.33Å; N25-K79 PolarHBondContact O-NZ 2.91Å; N25-K79 PolarHBondContact OD1-NZ 3.01Å
26I97.2Very high95.7Very high8 Ų837.1 Ų37.14%0.04120%0.198CC..  trans-109.4146.8174.256.8177.3000110.1M1 L3 I20 V21 Y24 H28 L82M1-I26 HydrophobicContact CG-CD1 4.4Å; M1-I26 HydrophobicContact SD-CD1 4.18Å; L3-I26 HydrophobicContact CD1-CD1 4.2Å; I20-I26 HydrophobicContact CG2-CD1 4.11Å; V21-I26 WeakPolarHBondContact CG1-O 3.27Å; Y24-I26 VanDerWaalsContact C-N 3.29Å; Y24-I26 PolarHBondContact O-N 3.11Å; I26-H28 PolarHBondContact O-N 2.83Å; I26-L82 HydrophobicContact CD1-CB 4.14Å
27P97.2Very high95.6Very high16 Ų1642.7 Ų42.710%0.10422%0.224CC..  trans-60.9136.1176.723.6-33.8000112.3R71 D76 T77 G80 F81 L82P27-R71 VanDerWaalsContact CB-NH2 3.32Å; P27-D76 WeakPolarHBondContact CB-OD2 3.09Å; P27-T77 HydrophobicContact CG-CG2 4.1Å; P27-G80 WeakPolarHBondContact CD-O 3.21Å; P27-G80 WeakPolarHBondContact CG-O 3.35Å; P27-F81 HydrophobicContact CG-CB 4.03Å; P27-L82 PolarHBondContact O-N 3.01Å
28H97.1Very high95.5Very high57 Ų5743.3 Ų43.326%0.26423%0.229SC..EExtended strand (participates in β ladder)trans-85.1120.3167.9-169.2-160.7000109.6V21 I26 D84V21-H28 HydrophobicContact CG2-CB 3.63Å; I26-H28 PolarHBondContact O-N 2.83Å; H28-D84 IonicContact CE1-OD2 3.77Å; H28-D84 VanDerWaalsContact NE2-CB 3.25Å; H28-D84 WeakPolarHBondContact NE2-CB 3.44Å; H28-D84 IonicContact NE2-OD2 2.72Å; H28-D84 PolarHBondContact NE2-OD2 3.48Å
29I97.8Very high95.6Very high2 Ų242.2 Ų42.21%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-112.490.9175.9-59.1171.3000107.2M34 R71 L72 T77 F81 L82 L83 D84I29-M34 HydrophobicContact CG2-SD 4.24Å; I29-R71 HydrophobicContact CB-CG 4.36Å; I29-R71 HydrophobicContact CD1-CG 3.77Å; I29-R71 HydrophobicContact CG1-CG 3.74Å; I29-R71 HydrophobicContact CG2-CB 4.48Å; I29-R71 HydrophobicContact CG2-CG 3.76Å; I29-L72 HydrophobicContact CD1-CD2 3.78Å; I29-T77 HydrophobicContact CD1-CG2 4Å; I29-F81 HydrophobicContact CD1-CB 3.82Å; I29-F81 HydrophobicContact CD1-CD2 4.48Å; I29-F81 HydrophobicContact CD1-CG 4.25Å; I29-L82 PolarHBondContact N-O 3.02Å; I29-L83 HydrophobicContact CB-CD2 3.93Å; I29-L83 HydrophobicContact CD1-CD2 4.19Å; I29-L83 HydrophobicContact CG2-CD2 3.77Å; I29-D84 PolarHBondContact O-N 3.05Å
30S96.3Very high95.5Very high9 Ų945.9 Ų45.96%0.06324%0.243CC..EExtended strand (participates in β ladder)trans-102.9106.5176.9-173.50000110.9G32 D33 M34 D84S30-G32 PolarHBondContact O-N 2.88Å; S30-D33 PolarHBondContact O-N 2.88Å; S30-D33 PolarHBondContact OG-OD2 2.98Å; S30-M34 VanDerWaalsContact O-CG 3.28Å; S30-M34 WeakPolarHBondContact O-CG 3.42Å; S30-M34 PolarHBondContact O-N 2.73Å; S30-D84 WeakPolarHBondContact CA-O 3.4Å; S30-D84 PolarHBondContact OG-OD2 2.78Å
31T95.6Very high95.4Very high5 Ų550.6 Ų50.63%0.03127%0.268CS..Hα-helixtrans-58.8-36.4179.453.90000111.7D33 M34 F35 T64 V68 D84 G85 F86T31-D33 PolarHBondContact O-N 2.8Å; T31-M34 PolarHBondContact O-N 3.46Å; T31-F35 WeakPolarHBondContact O-CD2 3.19Å; T31-F35 WeakPolarHBondContact O-CG 3.44Å; T31-F35 PolarHBondContact O-N 3.43Å; T31-T64 HydrophobicContact CG2-CG2 4Å; T31-V68 HydrophobicContact CG2-CG2 3.53Å; T31-D84 PolarHBondContact N-O 2.97Å; T31-G85 PolarHBondContact OG1-O 3.36Å; T31-F86 HydrophobicContact CG2-CB 3.68Å; T31-F86 HydrophobicContact CG2-CD2 4.29Å; T31-F86 HydrophobicContact CG2-CG 4.26Å
32G93.4Very high95.4Very high4 Ų456 Ų564%0.04129%0.291CS..Hα-helixtrans-61.7-41.7175.800000112.9S30 R36S30-G32 PolarHBondContact O-N 2.88Å; G32-R36 WeakPolarHBondContact O-CB 3.41Å; G32-R36 WeakPolarHBondContact O-CG 3.33Å; G32-R36 PolarHBondContact O-N 3.49Å; G32-R36 PolarHBondContact O-NE 3.47Å; G32-R36 PolarHBondContact O-NH1 2.92Å; G32-R36 PolarHBondContact O-NH2 3.19Å
33D93.5Very high95.5Very high63 Ų6354.6 Ų54.634%0.33727%0.274SS..Hα-helixtrans-72.4-39.4177.5-69.4-30.8000111.5S30 T31 F35 R36 E37 R161S30-D33 PolarHBondContact O-N 2.88Å; S30-D33 PolarHBondContact OG-OD2 2.98Å; T31-D33 PolarHBondContact O-N 2.8Å; D33-F35 VanDerWaalsContact C-N 3.33Å; D33-F35 PolarHBondContact O-N 3Å; D33-R36 PolarHBondContact O-N 3.03Å; D33-R36 IonicContact OD1-CZ 2.7Å; D33-R36 VanDerWaalsContact OD1-CZ 3.28Å; D33-R36 IonicContact OD1-NE 3.08Å; D33-R36 PolarHBondContact OD1-NE 3.23Å; D33-R36 IonicContact OD1-NH2 2.83Å; D33-R36 PolarHBondContact OD1-NH2 3.32Å; D33-E37 WeakPolarHBondContact O-CB 3.49Å; D33-E37 PolarHBondContact O-N 3.49Å; D33-R161 IonicContact OD1-NH2 3.87Å; D33-R161 PolarHBondContact OD1-NH2 2.94Å
34M95.4Very high95.4Very high53 Ų5356.2 Ų56.226%0.26128%0.284SS..Hα-helixtrans-57.9-44.9173.9-64.5173.482.800111.5I29 S30 T31 A38 I67 R71I29-M34 HydrophobicContact CG2-SD 4.24Å; S30-M34 VanDerWaalsContact O-CG 3.28Å; S30-M34 WeakPolarHBondContact O-CG 3.42Å; S30-M34 PolarHBondContact O-N 2.73Å; T31-M34 PolarHBondContact O-N 3.46Å; M34-A38 VanDerWaalsContact O-CB 3.27Å; M34-A38 WeakPolarHBondContact O-CB 3.41Å; M34-A38 PolarHBondContact O-N 3.1Å; M34-I67 HydrophobicContact CE-CG2 3.17Å; M34-I67 HydrophobicContact SD-CG2 3.94Å; M34-R71 HydrophobicContact CE-CB 4.13Å; M34-R71 HydrophobicContact CE-CG 4.26Å
35F96.1Very high95.2Very high9 Ų956.8 Ų56.84%0.03929%0.29CS..Hα-helixtrans-67.1-41.5175.3-68.7-54000112.6T31 D33 E37 A38 I39 L45 A49 M53 V59 V63 T64 I67T31-F35 WeakPolarHBondContact O-CD2 3.19Å; T31-F35 WeakPolarHBondContact O-CG 3.44Å; T31-F35 PolarHBondContact O-N 3.43Å; D33-F35 VanDerWaalsContact C-N 3.33Å; D33-F35 PolarHBondContact O-N 3Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 2.92Å; F35-A38 PolarHBondContact O-N 2.87Å; F35-I39 WeakPolarHBondContact O-CB 3.47Å; F35-I39 WeakPolarHBondContact O-CD1 3.38Å; F35-I39 WeakPolarHBondContact O-CG1 3.46Å; F35-I39 PolarHBondContact O-N 3.46Å; F35-L45 HydrophobicContact CE1-CD1 4.15Å; F35-A49 HydrophobicContact CB-CB 4.24Å; F35-A49 HydrophobicContact CD1-CB 3.64Å; F35-A49 HydrophobicContact CE1-CB 4.23Å; F35-A49 HydrophobicContact CG-CB 4.08Å; F35-M53 HydrophobicContact CB-CE 4.33Å; F35-M53 HydrophobicContact CB-SD 3.44Å; F35-M53 WeakPolarHBondContact CB-SD 3.4Å; F35-M53 HydrophobicContact CG-SD 4.25Å; F35-V59 HydrophobicContact CD1-CG2 4.47Å; F35-V59 HydrophobicContact CD2-CG2 3.96Å; F35-V59 HydrophobicContact CE1-CB 4.33Å; F35-V59 HydrophobicContact CE1-CG1 3.8Å; F35-V59 HydrophobicContact CE1-CG2 4.33Å; F35-V59 HydrophobicContact CE2-CB 3.86Å; F35-V59 HydrophobicContact CE2-CG1 4.21Å; F35-V59 HydrophobicContact CE2-CG2 3.82Å; F35-V59 HydrophobicContact CG-CG2 4.31Å; F35-V59 HydrophobicContact CZ-CB 3.76Å; F35-V59 HydrophobicContact CZ-CG1 3.59Å; F35-V59 HydrophobicContact CZ-CG2 4.02Å; F35-V63 HydrophobicContact CE1-CG1 4.22Å; F35-T64 HydrophobicContact CE2-CG2 4.28Å; F35-T64 HydrophobicContact CZ-CG2 4.27Å; F35-I67 HydrophobicContact CD1-CD1 4.2Å; F35-I67 HydrophobicContact CE1-CD1 3.35Å; F35-I67 HydrophobicContact CZ-CD1 3.83Å
36R93.8Very high95.1Very high45 Ų4551.3 Ų51.317%0.1726%0.26CS..Hα-helixtrans-61.8-40.8176.5-80-178.9-75.9-85.51.6112.2G32 D33 I39 K40 M53 R161G32-R36 WeakPolarHBondContact O-CB 3.41Å; G32-R36 WeakPolarHBondContact O-CG 3.33Å; G32-R36 PolarHBondContact O-N 3.49Å; G32-R36 PolarHBondContact O-NE 3.47Å; G32-R36 PolarHBondContact O-NH1 2.92Å; G32-R36 PolarHBondContact O-NH2 3.19Å; D33-R36 PolarHBondContact O-N 3.03Å; D33-R36 IonicContact OD1-CZ 2.7Å; D33-R36 VanDerWaalsContact OD1-CZ 3.28Å; D33-R36 IonicContact OD1-NE 3.08Å; D33-R36 PolarHBondContact OD1-NE 3.23Å; D33-R36 IonicContact OD1-NH2 2.83Å; D33-R36 PolarHBondContact OD1-NH2 3.32Å; R36-I39 PolarHBondContact O-N 3.31Å; R36-K40 WeakPolarHBondContact O-CB 3.3Å; R36-K40 PolarHBondContact O-N 2.91Å; R36-M53 HydrophobicContact CG-CE 3.93Å; R36-R161 VanDerWaalsContact CZ-CZ 3.42Å
37E93.8Very high94.9Very high124 Ų12456 Ų5658%0.57929%0.285SS*.Hα-helixtrans-65.1-45.6174.3-176.9174.7-164.700111.2D33 F35 I39 K40 N41D33-E37 WeakPolarHBondContact O-CB 3.49Å; D33-E37 PolarHBondContact O-N 3.49Å; F35-E37 VanDerWaalsContact C-N 3.33Å; F35-E37 PolarHBondContact O-N 2.92Å; E37-I39 VanDerWaalsContact C-N 3.29Å; E37-I39 PolarHBondContact O-N 3.28Å; E37-K40 PolarHBondContact O-N 2.93Å; E37-N41 WeakPolarHBondContact O-CB 3.11Å; E37-N41 PolarHBondContact O-N 3.42Å; E37-N41 PolarHBondContact O-ND2 3.37Å
38A95.4Very high94.7Very high12 Ų1261.5 Ų61.510%0.09931%0.307CS..Hα-helixtrans-59.6-37.7175.800000112.7M34 F35 E42 T43 L45 G46M34-A38 VanDerWaalsContact O-CB 3.27Å; M34-A38 WeakPolarHBondContact O-CB 3.41Å; M34-A38 PolarHBondContact O-N 3.1Å; F35-A38 PolarHBondContact O-N 2.87Å; A38-E42 PolarHBondContact O-N 3.41Å; A38-T43 WeakPolarHBondContact CB-OG1 3.45Å; A38-T43 PolarHBondContact O-N 2.97Å; A38-T43 PolarHBondContact O-OG1 3.41Å; A38-L45 HydrophobicContact CB-CD2 4.32Å; A38-L45 HydrophobicContact CB-CG 4.43Å; A38-G46 VanDerWaalsContact C-CA 3.48Å; A38-G46 WeakPolarHBondContact O-CA 3.14Å
39I95Very high94.6Very high39 Ų3958.8 Ų58.820%0.230%0.295CS..Hα-helixtrans-66.4-48.2173.9-71.1162.8000110.5F35 R36 E37 N41 E42 G46 K50 M53F35-I39 WeakPolarHBondContact O-CB 3.47Å; F35-I39 WeakPolarHBondContact O-CD1 3.38Å; F35-I39 WeakPolarHBondContact O-CG1 3.46Å; F35-I39 PolarHBondContact O-N 3.46Å; R36-I39 PolarHBondContact O-N 3.31Å; E37-I39 VanDerWaalsContact C-N 3.29Å; E37-I39 PolarHBondContact O-N 3.28Å; I39-N41 PolarHBondContact O-N 3.48Å; I39-E42 PolarHBondContact O-N 3.45Å; I39-G46 WeakPolarHBondContact CG1-O 3.28Å; I39-K50 HydrophobicContact CD1-CB 4.14Å; I39-K50 HydrophobicContact CD1-CG 4.45Å; I39-K50 HydrophobicContact CG1-CB 4.09Å; I39-K50 HydrophobicContact CG2-CD 4.32Å; I39-K50 HydrophobicContact CG2-CG 4.33Å; I39-M53 HydrophobicContact CD1-SD 3.65Å
40K92.6Very high94.5Very high162 Ų16263 Ų6370%0.70431%0.313SS*.Hα-helixtrans-58.4-37.7179-179.6-175.3174.9-173.90111.9R36 E37 E42R36-K40 WeakPolarHBondContact O-CB 3.3Å; R36-K40 PolarHBondContact O-N 2.91Å; E37-K40 PolarHBondContact O-N 2.93Å; K40-E42 VanDerWaalsContact C-N 3.28Å
41N95.3Very high94.4Very high99 Ų9966 Ų6653%0.52933%0.334SS..THydrogen-bonded Turntrans-87.98.9179.1-64.8-23.8000113.2E37 I39 T43E37-N41 WeakPolarHBondContact O-CB 3.11Å; E37-N41 PolarHBondContact O-N 3.42Å; E37-N41 PolarHBondContact O-ND2 3.37Å; I39-N41 PolarHBondContact O-N 3.48Å; N41-T43 HydrophobicContact CB-CG2 4Å; N41-T43 PolarHBondContact O-N 3.21Å
42E95.3Very high94.5Very high154 Ų15470.2 Ų70.272%0.7235%0.35SS*.THydrogen-bonded Turntrans51.630.8177.3-57.6-173.5151.700114.3A38 I39 K40A38-E42 PolarHBondContact O-N 3.41Å; I39-E42 PolarHBondContact O-N 3.45Å; K40-E42 VanDerWaalsContact C-N 3.28Å
43T95.8Very high94.5Very high54 Ų5471.1 Ų71.133%0.33135%0.354SS..  trans-68.3156.3179.665.30000110.5A38 N41 L45 G46 L47A38-T43 WeakPolarHBondContact CB-OG1 3.45Å; A38-T43 PolarHBondContact O-N 2.97Å; A38-T43 PolarHBondContact O-OG1 3.41Å; N41-T43 HydrophobicContact CB-CG2 4Å; N41-T43 PolarHBondContact O-N 3.21Å; T43-L45 PolarHBondContact O-N 3.06Å; T43-L45 VanDerWaalsContact O-N 3.16Å; T43-G46 WeakPolarHBondContact O-CA 3.34Å; T43-G46 PolarHBondContact O-N 2.77Å; T43-G46 PolarHBondContact OG1-N 3.35Å; T43-L47 WeakPolarHBondContact O-CG 3.47Å; T43-L47 PolarHBondContact O-N 3.38Å
44T93.9Very high94.5Very high106 Ų10670.7 Ų70.765%0.6535%0.352SS*.Hα-helixtrans-53.9-37.9174.3-52.60000112.2K48T44-K48 WeakPolarHBondContact O-CG 3.49Å; T44-K48 PolarHBondContact O-N 2.92Å
45L92.8Very high94.4Very high56 Ų5670.3 Ų70.329%0.29336%0.356SS..Hα-helixtrans-65.4-47.8175.1173.863.7000111.8F35 A38 T43 K48 A49 V63 I67F35-L45 HydrophobicContact CE1-CD1 4.15Å; A38-L45 HydrophobicContact CB-CD2 4.32Å; A38-L45 HydrophobicContact CB-CG 4.43Å; T43-L45 PolarHBondContact O-N 3.06Å; T43-L45 VanDerWaalsContact O-N 3.16Å; L45-K48 PolarHBondContact O-N 3.33Å; L45-A49 WeakPolarHBondContact O-CB 3.25Å; L45-A49 PolarHBondContact O-N 3.02Å; L45-V63 HydrophobicContact CD1-CG1 3.25Å; L45-I67 HydrophobicContact CD1-CD1 3.73Å; L45-I67 HydrophobicContact CD2-CD1 3.37Å; L45-I67 HydrophobicContact CD2-CG1 3.87Å; L45-I67 HydrophobicContact CG-CD1 4.08Å
46G93.9Very high94.2Very high0 Ų070.1 Ų70.10%036%0.357CS..Hα-helixtrans-59.1-47.6178.500000112.4A38 I39 T43 K48 A49 K50A38-G46 VanDerWaalsContact C-CA 3.48Å; A38-G46 WeakPolarHBondContact O-CA 3.14Å; I39-G46 WeakPolarHBondContact CG1-O 3.28Å; T43-G46 WeakPolarHBondContact O-CA 3.34Å; T43-G46 PolarHBondContact O-N 2.77Å; T43-G46 PolarHBondContact OG1-N 3.35Å; G46-K48 VanDerWaalsContact C-N 3.28Å; G46-K48 PolarHBondContact O-N 3.24Å; G46-A49 PolarHBondContact O-N 3.27Å; G46-A49 VanDerWaalsContact O-N 3.13Å; G46-K50 WeakPolarHBondContact O-CB 3.25Å; G46-K50 PolarHBondContact O-N 3.25Å
47L93.9Very high94.3Very high106 Ų10671 Ų7156%0.55537%0.365SS*.Hα-helixtrans-60-38.1178.3-65.4176.4000112.3T43T43-L47 WeakPolarHBondContact O-CG 3.47Å; T43-L47 PolarHBondContact O-N 3.38Å
48K92.7Very high94.4Very high132 Ų13266.6 Ų66.657%0.57435%0.345SS*.Hα-helixtrans-68.1-42.4173.9-73.7178.9-179.5-175.40112.3T44 L45 G46 K50 Y52T44-K48 WeakPolarHBondContact O-CG 3.49Å; T44-K48 PolarHBondContact O-N 2.92Å; L45-K48 PolarHBondContact O-N 3.33Å; G46-K48 VanDerWaalsContact C-N 3.28Å; G46-K48 PolarHBondContact O-N 3.24Å; K48-K50 VanDerWaalsContact C-N 3.35Å; K48-Y52 WeakPolarHBondContact O-CD2 3.44Å; K48-Y52 WeakPolarHBondContact O-CE2 3.43Å
49A95.2Very high94.5Very high0 Ų066.5 Ų66.50%034%0.344CS..Hα-helixtrans-70-31.8-179.300000112.7F35 L45 G46 S51 Y52 M53 V59F35-A49 HydrophobicContact CB-CB 4.24Å; F35-A49 HydrophobicContact CD1-CB 3.64Å; F35-A49 HydrophobicContact CE1-CB 4.23Å; F35-A49 HydrophobicContact CG-CB 4.08Å; L45-A49 WeakPolarHBondContact O-CB 3.25Å; L45-A49 PolarHBondContact O-N 3.02Å; G46-A49 PolarHBondContact O-N 3.27Å; G46-A49 VanDerWaalsContact O-N 3.13Å; A49-S51 PolarHBondContact O-N 3.33Å; A49-Y52 PolarHBondContact O-N 3.42Å; A49-M53 WeakPolarHBondContact O-CG 3.32Å; A49-M53 PolarHBondContact O-N 3.41Å; A49-V59 HydrophobicContact CB-CG1 4.3Å; A49-V59 HydrophobicContact CB-CG2 3.84Å
50K95.6Very high94.5Very high90 Ų9067 Ų6739%0.39135%0.35SS..Hα-helixtrans-51.9-49.7-173.1-170179.9-176.1-59.30113.2I39 G46 K48 Y52 M53 D54I39-K50 HydrophobicContact CD1-CB 4.14Å; I39-K50 HydrophobicContact CD1-CG 4.45Å; I39-K50 HydrophobicContact CG1-CB 4.09Å; I39-K50 HydrophobicContact CG2-CD 4.32Å; I39-K50 HydrophobicContact CG2-CG 4.33Å; G46-K50 WeakPolarHBondContact O-CB 3.25Å; G46-K50 PolarHBondContact O-N 3.25Å; K48-K50 VanDerWaalsContact C-N 3.35Å; K50-Y52 VanDerWaalsContact C-N 3.33Å; K50-Y52 PolarHBondContact O-N 3.28Å; K50-M53 PolarHBondContact O-N 2.97Å; K50-D54 WeakPolarHBondContact CG-OD2 3.47Å; K50-D54 IonicContact NZ-OD2 2.63Å; K50-D54 PolarHBondContact NZ-OD2 3.12Å; K50-D54 WeakPolarHBondContact O-CB 3.46Å; K50-D54 PolarHBondContact O-N 3.07Å
51S94.5Very high94.8Very high74 Ų7461.2 Ų61.252%0.51733%0.326SS..Hα-helixtrans-63.7-37.3-176.658.50000113A49 A55A49-S51 PolarHBondContact O-N 3.33Å; S51-A55 WeakPolarHBondContact O-CB 3.34Å; S51-A55 PolarHBondContact O-N 3.46Å
52Y96.4Very high94.8Very high93 Ų9364.6 Ų64.637%0.36534%0.339SS..Hα-helixtrans-69.3-46176.9-61.8-83.3000110.5K48 A49 K50 A55 G56 D57 P60K48-Y52 WeakPolarHBondContact O-CD2 3.44Å; K48-Y52 WeakPolarHBondContact O-CE2 3.43Å; A49-Y52 PolarHBondContact O-N 3.42Å; K50-Y52 VanDerWaalsContact C-N 3.33Å; K50-Y52 PolarHBondContact O-N 3.28Å; Y52-A55 PolarHBondContact O-N 2.83Å; Y52-G56 PolarHBondContact O-N 2.79Å; Y52-G56 VanDerWaalsContact O-N 3.09Å; Y52-D57 HydrophobicContact CD1-CB 4.33Å; Y52-D57 PolarHBondContact O-N 2.62Å; Y52-P60 HydrophobicContact CE1-CG 4.17Å; Y52-P60 HydrophobicContact CE2-CG 4.1Å
53M94.4Very high94.7Very high23 Ų2359.3 Ų59.311%0.11332%0.317CS..Hα-helixtrans-64.5-43.7-179-67.1-171.969.800112.5F35 R36 I39 A49 K50 A55 G56 V59F35-M53 HydrophobicContact CB-CE 4.33Å; F35-M53 HydrophobicContact CB-SD 3.44Å; F35-M53 WeakPolarHBondContact CB-SD 3.4Å; F35-M53 HydrophobicContact CG-SD 4.25Å; R36-M53 HydrophobicContact CG-CE 3.93Å; I39-M53 HydrophobicContact CD1-SD 3.65Å; A49-M53 WeakPolarHBondContact O-CG 3.32Å; A49-M53 PolarHBondContact O-N 3.41Å; K50-M53 PolarHBondContact O-N 2.97Å; M53-A55 PolarHBondContact O-N 2.85Å; M53-G56 PolarHBondContact O-N 3Å; M53-V59 HydrophobicContact CG-CG2 4.12Å
54D92.9Very high94.8Very high54 Ų5457 Ų5729%0.28930%0.303SS..Hα-helixtrans-64.3-31.6178.5-68.1-9.9000111.8K50 G56 T168K50-D54 WeakPolarHBondContact CG-OD2 3.47Å; K50-D54 IonicContact NZ-OD2 2.63Å; K50-D54 PolarHBondContact NZ-OD2 3.12Å; K50-D54 WeakPolarHBondContact O-CB 3.46Å; K50-D54 PolarHBondContact O-N 3.07Å; D54-G56 VanDerWaalsContact C-N 3.32Å; D54-T168 VanDerWaalsContact O-CG2 3.31Å; D54-T168 WeakPolarHBondContact O-CG2 3.5Å; D54-T168 PolarHBondContact O-OG1 2.99Å
55A93.1Very high95Very high44 Ų4453.3 Ų53.336%0.36428%0.279SS..Hα-helixtrans-79.8-10.217400000113.5S51 Y52 M53 D57 N171S51-A55 WeakPolarHBondContact O-CB 3.34Å; S51-A55 PolarHBondContact O-N 3.46Å; Y52-A55 PolarHBondContact O-N 2.83Å; M53-A55 PolarHBondContact O-N 2.85Å; A55-D57 VanDerWaalsContact C-N 3.31Å; A55-N171 PolarHBondContact O-ND2 3.01Å
56G93.1Very high95.1Very high5 Ų552.6 Ų52.65%0.05229%0.285CS..THydrogen-bonded Turntrans79.312.5-174.500000114.1Y52 M53 D54 R172Y52-G56 PolarHBondContact O-N 2.79Å; Y52-G56 VanDerWaalsContact O-N 3.09Å; M53-G56 PolarHBondContact O-N 3Å; D54-G56 VanDerWaalsContact C-N 3.32Å; G56-R172 WeakPolarHBondContact O-CA 3.49Å
57D95.7Very high95.2Very high65 Ų6553.8 Ų53.835%0.34829%0.291SS..PPolyproline II helixtrans-86.4167179.1-66.7-31.8000112.3Y52 A55 N171Y52-D57 HydrophobicContact CD1-CB 4.33Å; Y52-D57 PolarHBondContact O-N 2.62Å; A55-D57 VanDerWaalsContact C-N 3.31Å; D57-N171 PolarHBondContact OD1-ND2 3.3Å
58L95.5Very high95.4Very high30 Ų3048.7 Ų48.716%0.15727%0.265CS..PPolyproline II helixtrans-79136.1172.1-57.3-176.1000110.1R88 T89 V175L58-R88 HydrophobicContact CD1-CB 3.98Å; L58-R88 WeakPolarHBondContact CD1-O 3.49Å; L58-R88 HydrophobicContact CD2-CB 3.95Å; L58-R88 VanDerWaalsContact CD2-CD 3.46Å; L58-R88 HydrophobicContact CD2-CG 4.38Å; L58-T89 HydrophobicContact CD1-CG2 3.65Å; L58-V175 HydrophobicContact CD1-CG1 4.24Å; L58-V175 HydrophobicContact CD2-CG1 4.11Å; L58-V175 HydrophobicContact CG-CG1 3.71Å
59V96.3Very high95.6Very high11 Ų1147.5 Ų47.57%0.06726%0.259CS..PPolyproline II helixtrans-64.6136.6165.6-177.80000107.8F35 A49 M53 V63 T64F35-V59 HydrophobicContact CD1-CG2 4.47Å; F35-V59 HydrophobicContact CD2-CG2 3.96Å; F35-V59 HydrophobicContact CE1-CB 4.33Å; F35-V59 HydrophobicContact CE1-CG1 3.8Å; F35-V59 HydrophobicContact CE1-CG2 4.33Å; F35-V59 HydrophobicContact CE2-CB 3.86Å; F35-V59 HydrophobicContact CE2-CG1 4.21Å; F35-V59 HydrophobicContact CE2-CG2 3.82Å; F35-V59 HydrophobicContact CG-CG2 4.31Å; F35-V59 HydrophobicContact CZ-CB 3.76Å; F35-V59 HydrophobicContact CZ-CG1 3.59Å; F35-V59 HydrophobicContact CZ-CG2 4.02Å; A49-V59 HydrophobicContact CB-CG1 4.3Å; A49-V59 HydrophobicContact CB-CG2 3.84Å; M53-V59 HydrophobicContact CG-CG2 4.12Å; V59-V63 HydrophobicContact CG1-CB 4.11Å; V59-V63 HydrophobicContact CG1-CG1 3.95Å; V59-T64 PolarHBondContact O-OG1 3.09Å
60P96.7Very high95.6Very high50 Ų5054 Ų5433%0.32529%0.29SS..PPolyproline II helixtrans-50.1143.3-175.3-30.836000114.4Y52 E62 V63 T64Y52-P60 HydrophobicContact CE1-CG 4.17Å; Y52-P60 HydrophobicContact CE2-CG 4.1Å; P60-E62 VanDerWaalsContact C-N 3.33Å; P60-E62 PolarHBondContact O-N 3.33Å; P60-V63 HydrophobicContact CB-CG2 4.41Å; P60-V63 WeakPolarHBondContact O-CB 3.5Å; P60-V63 PolarHBondContact O-N 3.16Å; P60-V63 VanDerWaalsContact O-N 3.09Å; P60-T64 PolarHBondContact O-N 3.41Å; P60-T64 PolarHBondContact O-OG1 3.41Å
61D97.1Very high95.7Very high39 Ų3952 Ų5221%0.20928%0.28CS..Hα-helixtrans-58.6-41.5-173.8-72.8-3.6000112.8V63 T64 N65 T89 Q92D61-V63 VanDerWaalsContact C-N 3.28Å; D61-V63 PolarHBondContact O-N 3.16Å; D61-T64 PolarHBondContact O-N 2.9Å; D61-N65 WeakPolarHBondContact O-CB 3.46Å; D61-N65 PolarHBondContact O-N 3.45Å; D61-N65 PolarHBondContact O-ND2 2.8Å; D61-T89 VanDerWaalsContact CG-OG1 3.31Å; D61-T89 WeakPolarHBondContact OD1-CG2 3.19Å; D61-T89 PolarHBondContact OD1-OG1 3.12Å; D61-T89 PolarHBondContact OD2-OG1 3.08Å; D61-Q92 HydrophobicContact CB-CG 4.2Å; D61-Q92 WeakPolarHBondContact OD1-CG 3.42Å; D61-Q92 PolarHBondContact OD1-NE2 2.97Å
62E95.4Very high95.9Very high171 Ų17148.5 Ų48.580%0.79926%0.255SS*.Hα-helixtrans-54.8-45.5176.6-175.3-173.8176.100112P60 G66P60-E62 VanDerWaalsContact C-N 3.33Å; P60-E62 PolarHBondContact O-N 3.33Å; E62-G66 PolarHBondContact O-N 3.34Å; E62-G66 VanDerWaalsContact O-N 3.1Å
63V94.8Very high95.8Very high43 Ų4346.9 Ų46.926%0.26126%0.261SS..Hα-helixtrans-68.4-46.7-179.2178.70000110.3F35 L45 V59 P60 D61 G66 I67F35-V63 HydrophobicContact CE1-CG1 4.22Å; L45-V63 HydrophobicContact CD1-CG1 3.25Å; V59-V63 HydrophobicContact CG1-CB 4.11Å; V59-V63 HydrophobicContact CG1-CG1 3.95Å; P60-V63 HydrophobicContact CB-CG2 4.41Å; P60-V63 WeakPolarHBondContact O-CB 3.5Å; P60-V63 PolarHBondContact O-N 3.16Å; P60-V63 VanDerWaalsContact O-N 3.09Å; D61-V63 VanDerWaalsContact C-N 3.28Å; D61-V63 PolarHBondContact O-N 3.16Å; V63-G66 PolarHBondContact O-N 2.86Å; V63-I67 HydrophobicContact CG1-CD1 4.19Å; V63-I67 WeakPolarHBondContact O-CD1 3.14Å; V63-I67 WeakPolarHBondContact O-CG1 3.28Å; V63-I67 PolarHBondContact O-N 3.44Å
64T97.3Very high96Very high6 Ų650.3 Ų50.34%0.03728%0.277CS..Hα-helixtrans-67.2-45.1-177.9-52.10000111.5T31 F35 V59 P60 D61 G66 I67 V68 F86T31-T64 HydrophobicContact CG2-CG2 4Å; F35-T64 HydrophobicContact CE2-CG2 4.28Å; F35-T64 HydrophobicContact CZ-CG2 4.27Å; V59-T64 PolarHBondContact O-OG1 3.09Å; P60-T64 PolarHBondContact O-N 3.41Å; P60-T64 PolarHBondContact O-OG1 3.41Å; D61-T64 PolarHBondContact O-N 2.9Å; T64-G66 VanDerWaalsContact C-N 3.34Å; T64-G66 PolarHBondContact O-N 2.84Å; T64-I67 PolarHBondContact O-N 2.84Å; T64-V68 WeakPolarHBondContact O-CG2 3.34Å; T64-V68 PolarHBondContact O-N 3.14Å; T64-F86 HydrophobicContact CG2-CD2 3.58Å; T64-F86 HydrophobicContact CG2-CE2 3.86Å
65N97.9Very high96.2Very high27 Ų2756.3 Ų56.314%0.14430%0.301CS..Hα-helixtrans-60.3-42.6177.3-73.2-15.5000111.6D61 I67 V68 K69 F86 Q92 A95 M99D61-N65 WeakPolarHBondContact O-CB 3.46Å; D61-N65 PolarHBondContact O-N 3.45Å; D61-N65 PolarHBondContact O-ND2 2.8Å; N65-I67 PolarHBondContact O-N 3.4Å; N65-V68 PolarHBondContact O-N 3.07Å; N65-K69 VanDerWaalsContact O-CB 3.28Å; N65-K69 WeakPolarHBondContact O-CB 3.44Å; N65-K69 PolarHBondContact O-N 2.89Å; N65-F86 VanDerWaalsContact OD1-CE2 3.28Å; N65-F86 WeakPolarHBondContact OD1-CE2 3.28Å; N65-F86 VanDerWaalsContact OD1-CZ 3.31Å; N65-F86 WeakPolarHBondContact OD1-CZ 3.46Å; N65-Q92 WeakPolarHBondContact OD1-CG 3.5Å; N65-A95 WeakPolarHBondContact ND2-CB 3.37Å; N65-M99 HydrophobicContact CB-CE 3.62Å; N65-M99 WeakPolarHBondContact O-CE 3.44Å
66G95.1Very high96.4Very high41 Ų4157.4 Ų57.442%0.42330%0.301SS..Hα-helixtrans-58.7-47178.100000112.7E62 V63 T64 K69 E70E62-G66 PolarHBondContact O-N 3.34Å; E62-G66 VanDerWaalsContact O-N 3.1Å; V63-G66 PolarHBondContact O-N 2.86Å; T64-G66 VanDerWaalsContact C-N 3.34Å; T64-G66 PolarHBondContact O-N 2.84Å; G66-K69 PolarHBondContact O-N 3.43Å; G66-E70 PolarHBondContact O-N 3.47Å
67I95.7Very high96.6Very high25 Ų2557.2 Ų57.213%0.12830%0.298CS..Hα-helixtrans-66.1-44179.8-65.4158.5000111.5M34 F35 L45 V63 T64 N65 K69 E70 R71M34-I67 HydrophobicContact CE-CG2 3.17Å; M34-I67 HydrophobicContact SD-CG2 3.94Å; F35-I67 HydrophobicContact CD1-CD1 4.2Å; F35-I67 HydrophobicContact CE1-CD1 3.35Å; F35-I67 HydrophobicContact CZ-CD1 3.83Å; L45-I67 HydrophobicContact CD1-CD1 3.73Å; L45-I67 HydrophobicContact CD2-CD1 3.37Å; L45-I67 HydrophobicContact CD2-CG1 3.87Å; L45-I67 HydrophobicContact CG-CD1 4.08Å; V63-I67 HydrophobicContact CG1-CD1 4.19Å; V63-I67 WeakPolarHBondContact O-CD1 3.14Å; V63-I67 WeakPolarHBondContact O-CG1 3.28Å; V63-I67 PolarHBondContact O-N 3.44Å; T64-I67 PolarHBondContact O-N 2.84Å; N65-I67 PolarHBondContact O-N 3.4Å; I67-K69 VanDerWaalsContact C-N 3.35Å; I67-E70 PolarHBondContact O-N 3.42Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 PolarHBondContact O-N 3.47Å
68V97.7Very high96.6Very high0 Ų059.3 Ų59.30%031%0.309CS..Hα-helixtrans-65-42179.1172.80000110.5T31 T64 N65 E70 R71 L72 L83 F86 M99T31-V68 HydrophobicContact CG2-CG2 3.53Å; T64-V68 WeakPolarHBondContact O-CG2 3.34Å; T64-V68 PolarHBondContact O-N 3.14Å; N65-V68 PolarHBondContact O-N 3.07Å; V68-E70 PolarHBondContact O-N 2.89Å; V68-R71 PolarHBondContact O-N 2.83Å; V68-L72 HydrophobicContact CG1-CD1 3.64Å; V68-L72 HydrophobicContact CG1-CG 4.07Å; V68-L72 WeakPolarHBondContact O-CB 3.46Å; V68-L72 WeakPolarHBondContact O-CG 3.42Å; V68-L72 PolarHBondContact O-N 3.1Å; V68-L83 HydrophobicContact CG1-CD2 4.3Å; V68-F86 HydrophobicContact CB-CD1 4.46Å; V68-F86 HydrophobicContact CB-CE1 4.23Å; V68-F86 HydrophobicContact CB-CE2 4.43Å; V68-F86 HydrophobicContact CB-CZ 4.22Å; V68-F86 HydrophobicContact CG1-CD1 3.91Å; V68-F86 HydrophobicContact CG1-CE1 3.69Å; V68-F86 HydrophobicContact CG1-CZ 4.15Å; V68-F86 HydrophobicContact CG2-CB 4.39Å; V68-F86 HydrophobicContact CG2-CD1 4.05Å; V68-F86 HydrophobicContact CG2-CD2 3.83Å; V68-F86 HydrophobicContact CG2-CE1 4.23Å; V68-F86 HydrophobicContact CG2-CE2 4.01Å; V68-F86 HydrophobicContact CG2-CG 3.83Å; V68-F86 HydrophobicContact CG2-CZ 4.22Å; V68-M99 HydrophobicContact CG1-SD 4.4Å
69K97.1Very high96.5Very high106 Ų10663.4 Ų63.446%0.46133%0.326SS..Hα-helixtrans-58-48175.8-173.2170-174.3161.70111.7N65 G66 I67 R71 L72 A73 M99 D102N65-K69 VanDerWaalsContact O-CB 3.28Å; N65-K69 WeakPolarHBondContact O-CB 3.44Å; N65-K69 PolarHBondContact O-N 2.89Å; G66-K69 PolarHBondContact O-N 3.43Å; I67-K69 VanDerWaalsContact C-N 3.35Å; K69-R71 VanDerWaalsContact C-N 3.32Å; K69-R71 PolarHBondContact O-N 3.21Å; K69-L72 PolarHBondContact O-N 3.49Å; K69-A73 PolarHBondContact O-N 3.19Å; K69-M99 HydrophobicContact CB-CE 4.2Å; K69-M99 HydrophobicContact CB-CG 4.19Å; K69-M99 HydrophobicContact CB-SD 3.75Å; K69-M99 HydrophobicContact CD-CG 4.25Å; K69-M99 HydrophobicContact CG-CG 4.11Å; K69-M99 HydrophobicContact CG-SD 4.34Å; K69-D102 IonicContact NZ-OD2 2.83Å
70E95.9Very high96.6Very high136 Ų13662.9 Ų62.964%0.63632%0.323SS*.Hα-helixtrans-61.8-40.8177.3-175.1179.2162.700111.9G66 I67 V68 A73 Q74G66-E70 PolarHBondContact O-N 3.47Å; I67-E70 PolarHBondContact O-N 3.42Å; V68-E70 PolarHBondContact O-N 2.89Å; E70-A73 PolarHBondContact O-N 2.66Å; E70-Q74 PolarHBondContact O-NE2 2.78Å
71R97.3Very high96.7Very high49 Ų4960.5 Ų60.519%0.18531%0.307CS..Hα-helixtrans-69.7-38.9-179.1-178.561-171.196-9112.9P27 I29 M34 I67 V68 K69 A73 Q74 D76 T77P27-R71 VanDerWaalsContact CB-NH2 3.32Å; I29-R71 HydrophobicContact CB-CG 4.36Å; I29-R71 HydrophobicContact CD1-CG 3.77Å; I29-R71 HydrophobicContact CG1-CG 3.74Å; I29-R71 HydrophobicContact CG2-CB 4.48Å; I29-R71 HydrophobicContact CG2-CG 3.76Å; M34-R71 HydrophobicContact CE-CB 4.13Å; M34-R71 HydrophobicContact CE-CG 4.26Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 PolarHBondContact O-N 3.47Å; V68-R71 PolarHBondContact O-N 2.83Å; K69-R71 VanDerWaalsContact C-N 3.32Å; K69-R71 PolarHBondContact O-N 3.21Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.47Å; R71-Q74 WeakPolarHBondContact O-CB 3.49Å; R71-Q74 WeakPolarHBondContact O-CG 3.44Å; R71-Q74 PolarHBondContact O-N 3.33Å; R71-D76 IonicContact CZ-OD1 2.73Å; R71-D76 IonicContact CZ-OD2 3.69Å; R71-D76 IonicContact NH1-OD1 3.28Å; R71-D76 PolarHBondContact NH1-OD1 2.78Å; R71-D76 IonicContact NH1-OD2 2.71Å; R71-D76 PolarHBondContact NH1-OD2 2.97Å; R71-D76 IonicContact NH2-OD1 3.07Å; R71-D76 IonicContact NH2-OD2 3.21Å; R71-D76 PolarHBondContact NH2-OD2 3.42Å; R71-T77 WeakPolarHBondContact O-CG2 3.27Å
72L97.8Very high96.7Very high0 Ų058.6 Ų58.60%030%0.297CS..Hα-helixtrans-71.7-19.5177.5-73175.5000113.3I29 V68 K69 Q74 T77 F81 L83 L96 L100 L103I29-L72 HydrophobicContact CD1-CD2 3.78Å; V68-L72 HydrophobicContact CG1-CD1 3.64Å; V68-L72 HydrophobicContact CG1-CG 4.07Å; V68-L72 WeakPolarHBondContact O-CB 3.46Å; V68-L72 WeakPolarHBondContact O-CG 3.42Å; V68-L72 PolarHBondContact O-N 3.1Å; K69-L72 PolarHBondContact O-N 3.49Å; L72-Q74 VanDerWaalsContact C-N 3.28Å; L72-T77 PolarHBondContact O-OG1 2.86Å; L72-F81 HydrophobicContact CD2-CD1 3.78Å; L72-F81 HydrophobicContact CD2-CD2 3.89Å; L72-F81 HydrophobicContact CD2-CE1 3.7Å; L72-F81 HydrophobicContact CD2-CE2 3.84Å; L72-F81 HydrophobicContact CD2-CG 3.87Å; L72-F81 HydrophobicContact CD2-CZ 3.74Å; L72-L83 HydrophobicContact CD2-CD2 4.32Å; L72-L96 HydrophobicContact CD1-CD1 3.71Å; L72-L100 HydrophobicContact CD1-CD2 4.16Å; L72-L103 HydrophobicContact CB-CD1 3.74Å
73A96Very high96.9Very high60 Ų6050.5 Ų50.550%0.49626%0.259SS..THydrogen-bonded Turntrans-78.7-9.3173.900000113.4K69 E70 R71 L103K69-A73 PolarHBondContact O-N 3.19Å; E70-A73 PolarHBondContact O-N 2.66Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.47Å; A73-L103 HydrophobicContact CB-CD2 4.49Å
74Q97.5Very high97Very high95 Ų9549 Ų4944%0.44425%0.25SC..SBendtrans-75.4140.2178.7-57.6-57.1-43.300111.5E70 R71 L72 D76 T77E70-Q74 PolarHBondContact O-NE2 2.78Å; R71-Q74 WeakPolarHBondContact O-CB 3.49Å; R71-Q74 WeakPolarHBondContact O-CG 3.44Å; R71-Q74 PolarHBondContact O-N 3.33Å; L72-Q74 VanDerWaalsContact C-N 3.28Å; Q74-D76 VanDerWaalsContact CB-OD1 3.3Å; Q74-D76 WeakPolarHBondContact CB-OD1 3.47Å; Q74-D76 PolarHBondContact O-N 2.78Å; Q74-D76 VanDerWaalsContact O-N 3.14Å; Q74-T77 WeakPolarHBondContact O-CB 3.25Å; Q74-T77 PolarHBondContact O-N 3.25Å; Q74-T77 PolarHBondContact O-OG1 3.47Å
75K96.8Very high96.8Very high179 Ų17949.1 Ų49.178%0.77825%0.252SS*.G310 helixtrans-59.1-28.4-173.9-67.2-172.9176.5-176.60114.7T77 D78K75-T77 PolarHBondContact O-N 3.43Å; K75-D78 WeakPolarHBondContact O-CB 3.42Å; K75-D78 PolarHBondContact O-N 2.88Å; K75-D78 VanDerWaalsContact O-N 3.13Å
76D97Very high96.8Very high68 Ų6848 Ų4836%0.36425%0.246SC..G310 helixtrans-66.7-17.7-179.971.8-40.3000112.9P27 R71 Q74 D78 K79P27-D76 WeakPolarHBondContact CB-OD2 3.09Å; R71-D76 IonicContact CZ-OD1 2.73Å; R71-D76 IonicContact CZ-OD2 3.69Å; R71-D76 IonicContact NH1-OD1 3.28Å; R71-D76 PolarHBondContact NH1-OD1 2.78Å; R71-D76 IonicContact NH1-OD2 2.71Å; R71-D76 PolarHBondContact NH1-OD2 2.97Å; R71-D76 IonicContact NH2-OD1 3.07Å; R71-D76 IonicContact NH2-OD2 3.21Å; R71-D76 PolarHBondContact NH2-OD2 3.42Å; Q74-D76 VanDerWaalsContact CB-OD1 3.3Å; Q74-D76 WeakPolarHBondContact CB-OD1 3.47Å; Q74-D76 PolarHBondContact O-N 2.78Å; Q74-D76 VanDerWaalsContact O-N 3.14Å; D76-D78 VanDerWaalsContact C-N 3.33Å; D76-K79 WeakPolarHBondContact O-CG 3.46Å
77T97.6Very high96.9Very high0 Ų046.3 Ų46.30%023%0.227CC..G310 helixtrans-84.1-3.3175.370.80000113.7P27 I29 R71 L72 Q74 K75 K79 G80 F81 K105P27-T77 HydrophobicContact CG-CG2 4.1Å; I29-T77 HydrophobicContact CD1-CG2 4Å; R71-T77 WeakPolarHBondContact O-CG2 3.27Å; L72-T77 PolarHBondContact O-OG1 2.86Å; Q74-T77 WeakPolarHBondContact O-CB 3.25Å; Q74-T77 PolarHBondContact O-N 3.25Å; Q74-T77 PolarHBondContact O-OG1 3.47Å; K75-T77 PolarHBondContact O-N 3.43Å; T77-K79 VanDerWaalsContact C-N 3.32Å; T77-G80 CarbonylContact C-O 3.52Å; T77-G80 WeakPolarHBondContact CA-O 3.26Å; T77-G80 PolarHBondContact O-N 3.08Å; T77-F81 HydrophobicContact CG2-CB 4.45Å; T77-K105 PolarHBondContact O-NZ 3.47Å; T77-K105 PolarHBondContact OG1-NZ 3.44Å
78D95.4Very high97Very high109 Ų10948.1 Ų48.158%0.58323%0.233SC*.THydrogen-bonded Turntrans-71.9-29.4-178-66.8-17.3000112.2K75 D76 G80 K105K75-D78 WeakPolarHBondContact O-CB 3.42Å; K75-D78 PolarHBondContact O-N 2.88Å; K75-D78 VanDerWaalsContact O-N 3.13Å; D76-D78 VanDerWaalsContact C-N 3.33Å; D78-G80 VanDerWaalsContact C-N 3.27Å; D78-K105 WeakPolarHBondContact OD1-CE 3.49Å; D78-K105 IonicContact OD1-NZ 3.68Å; D78-K105 PolarHBondContact OD1-NZ 2.92Å
79K94.6Very high97Very high116 Ų11648.9 Ų48.950%0.50424%0.237SC..THydrogen-bonded Turntrans-77.5-12.4173.260.4173.8175.6171.20113.5N25 D76 T77N25-K79 WeakPolarHBondContact O-CE 3.33Å; N25-K79 PolarHBondContact O-NZ 2.91Å; N25-K79 PolarHBondContact OD1-NZ 3.01Å; D76-K79 WeakPolarHBondContact O-CG 3.46Å; T77-K79 VanDerWaalsContact C-N 3.32Å
80G97.4Very high97Very high0 Ų046.4 Ų46.40%023%0.229CC..  trans138.3170.9-170.700000112.5M1 N2 P27 T77 D78M1-G80 CarbonylContact O-C 3.45Å; M1-G80 WeakPolarHBondContact O-CA 3.43Å; N2-G80 WeakPolarHBondContact OD1-CA 3.3Å; P27-G80 WeakPolarHBondContact CD-O 3.21Å; P27-G80 WeakPolarHBondContact CG-O 3.35Å; T77-G80 CarbonylContact C-O 3.52Å; T77-G80 WeakPolarHBondContact CA-O 3.26Å; T77-G80 PolarHBondContact O-N 3.08Å; D78-G80 VanDerWaalsContact C-N 3.27Å
81F98.4Very high97.1Very high0 Ų044.7 Ų44.70%022%0.224CC..EExtended strand (participates in β ladder)trans-162.5159173.256.8-97.3000111M1 N2 L3 P27 I29 L72 T77 L83 L100 K105 I107M1-F81 PolarHBondContact O-N 3.13Å; N2-F81 WeakPolarHBondContact CA-O 3.44Å; N2-F81 HydrophobicContact CB-CD1 4.31Å; N2-F81 HydrophobicContact CB-CD2 4.48Å; N2-F81 HydrophobicContact CB-CE1 3.73Å; N2-F81 HydrophobicContact CB-CE2 3.92Å; N2-F81 HydrophobicContact CB-CZ 3.51Å; N2-F81 VanDerWaalsContact OD1-CD1 3.23Å; N2-F81 WeakPolarHBondContact OD1-CD1 3.44Å; N2-F81 WeakPolarHBondContact OD1-CE1 2.96Å; L3-F81 PolarHBondContact N-O 3.49Å; P27-F81 HydrophobicContact CG-CB 4.03Å; I29-F81 HydrophobicContact CD1-CB 3.82Å; I29-F81 HydrophobicContact CD1-CD2 4.48Å; I29-F81 HydrophobicContact CD1-CG 4.25Å; L72-F81 HydrophobicContact CD2-CD1 3.78Å; L72-F81 HydrophobicContact CD2-CD2 3.89Å; L72-F81 HydrophobicContact CD2-CE1 3.7Å; L72-F81 HydrophobicContact CD2-CE2 3.84Å; L72-F81 HydrophobicContact CD2-CG 3.87Å; L72-F81 HydrophobicContact CD2-CZ 3.74Å; T77-F81 HydrophobicContact CG2-CB 4.45Å; F81-L83 HydrophobicContact CD2-CD1 4.32Å; F81-L83 HydrophobicContact CD2-CD2 4.22Å; F81-L83 HydrophobicContact CD2-CG 3.76Å; F81-L83 HydrophobicContact CE2-CD1 3.74Å; F81-L83 HydrophobicContact CE2-CD2 4.36Å; F81-L83 HydrophobicContact CE2-CG 3.71Å; F81-L100 HydrophobicContact CE1-CD2 4.06Å; F81-L100 HydrophobicContact CZ-CD2 3.6Å; F81-K105 HydrophobicContact CE1-CD 4.14Å; F81-I107 HydrophobicContact CE2-CD1 4.02Å; F81-I107 HydrophobicContact CZ-CD1 4.14Å
82L98.6Very high97.2Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-116.4114.7170.2178.368.1000109.4L3 L5 A17 I20 V21 I26 P27 I29L3-L82 HydrophobicContact CB-CD1 3.65Å; L3-L82 HydrophobicContact CD1-CD1 4.45Å; L5-L82 HydrophobicContact CB-CD1 4.07Å; A17-L82 HydrophobicContact CB-CD2 3.53Å; I20-L82 HydrophobicContact CB-CD2 4.17Å; I20-L82 HydrophobicContact CD1-CD1 4.24Å; I20-L82 HydrophobicContact CD1-CD2 4.15Å; I20-L82 HydrophobicContact CG2-CD1 4.5Å; I20-L82 HydrophobicContact CG2-CD2 4.12Å; V21-L82 HydrophobicContact CG2-CD2 4.03Å; I26-L82 HydrophobicContact CD1-CB 4.14Å; P27-L82 PolarHBondContact O-N 3.01Å; I29-L82 PolarHBondContact N-O 3.02Å
83L98.6Very high97.2Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-84.3125.7169.9-64.3172.7000109.6L3 I4 L5 I29 V68 L72 F81 F86 L96 I107L3-L83 PolarHBondContact O-N 3.43Å; I4-L83 HydrophobicContact CG1-CB 4.36Å; I4-L83 HydrophobicContact CG1-CD1 4.16Å; L5-L83 PolarHBondContact N-O 3Å; I29-L83 HydrophobicContact CB-CD2 3.93Å; I29-L83 HydrophobicContact CD1-CD2 4.19Å; I29-L83 HydrophobicContact CG2-CD2 3.77Å; V68-L83 HydrophobicContact CG1-CD2 4.3Å; L72-L83 HydrophobicContact CD2-CD2 4.32Å; F81-L83 HydrophobicContact CD2-CD1 4.32Å; F81-L83 HydrophobicContact CD2-CD2 4.22Å; F81-L83 HydrophobicContact CD2-CG 3.76Å; F81-L83 HydrophobicContact CE2-CD1 3.74Å; F81-L83 HydrophobicContact CE2-CD2 4.36Å; F81-L83 HydrophobicContact CE2-CG 3.71Å; L83-F86 HydrophobicContact CD1-CD1 4.3Å; L83-L96 HydrophobicContact CD1-CD1 3.79Å; L83-L96 HydrophobicContact CD1-CD2 3.5Å; L83-L96 VanDerWaalsContact CD1-CD2 3.5Å; L83-L96 HydrophobicContact CD1-CG 4.31Å; L83-I107 HydrophobicContact CD1-CD1 4.45Å
84D96.8Very high97.3Very high12 Ų1244.3 Ų44.36%0.06421%0.213CC..EExtended strand (participates in β ladder)trans-126126.5175.1171.526.9000110H28 I29 S30 T31 F86H28-D84 IonicContact CE1-OD2 3.77Å; H28-D84 VanDerWaalsContact NE2-CB 3.25Å; H28-D84 WeakPolarHBondContact NE2-CB 3.44Å; H28-D84 IonicContact NE2-OD2 2.72Å; H28-D84 PolarHBondContact NE2-OD2 3.48Å; I29-D84 PolarHBondContact O-N 3.05Å; S30-D84 WeakPolarHBondContact CA-O 3.4Å; S30-D84 PolarHBondContact OG-OD2 2.78Å; T31-D84 PolarHBondContact N-O 2.97Å; D84-F86 VanDerWaalsContact C-N 3.26Å; D84-F86 PolarHBondContact O-N 3.44Å
85G93.2Very high97.4Very high8 Ų840.5 Ų40.58%0.08220%0.197CC..SBendtrans72.818.7-176.400000114T31 R88T31-G85 PolarHBondContact OG1-O 3.36Å; G85-R88 VanDerWaalsContact O-CG 3.28Å; G85-R88 WeakPolarHBondContact O-CG 3.4Å; G85-R88 PolarHBondContact O-NE 3.02Å
86F97.9Very high97.4Very high3 Ų332 Ų321%0.01316%0.161CC..  trans-149.7134.7169.9-176.6-91.1000109.9T31 T64 N65 V68 L83 D84 Q92 L96T31-F86 HydrophobicContact CG2-CB 3.68Å; T31-F86 HydrophobicContact CG2-CD2 4.29Å; T31-F86 HydrophobicContact CG2-CG 4.26Å; T64-F86 HydrophobicContact CG2-CD2 3.58Å; T64-F86 HydrophobicContact CG2-CE2 3.86Å; N65-F86 VanDerWaalsContact OD1-CE2 3.28Å; N65-F86 WeakPolarHBondContact OD1-CE2 3.28Å; N65-F86 VanDerWaalsContact OD1-CZ 3.31Å; N65-F86 WeakPolarHBondContact OD1-CZ 3.46Å; V68-F86 HydrophobicContact CB-CD1 4.46Å; V68-F86 HydrophobicContact CB-CE1 4.23Å; V68-F86 HydrophobicContact CB-CE2 4.43Å; V68-F86 HydrophobicContact CB-CZ 4.22Å; V68-F86 HydrophobicContact CG1-CD1 3.91Å; V68-F86 HydrophobicContact CG1-CE1 3.69Å; V68-F86 HydrophobicContact CG1-CZ 4.15Å; V68-F86 HydrophobicContact CG2-CB 4.39Å; V68-F86 HydrophobicContact CG2-CD1 4.05Å; V68-F86 HydrophobicContact CG2-CD2 3.83Å; V68-F86 HydrophobicContact CG2-CE1 4.23Å; V68-F86 HydrophobicContact CG2-CE2 4.01Å; V68-F86 HydrophobicContact CG2-CG 3.83Å; V68-F86 HydrophobicContact CG2-CZ 4.22Å; L83-F86 HydrophobicContact CD1-CD1 4.3Å; D84-F86 VanDerWaalsContact C-N 3.26Å; D84-F86 PolarHBondContact O-N 3.44Å; F86-Q92 HydrophobicContact CD2-CB 4.26Å; F86-Q92 HydrophobicContact CD2-CG 4.28Å; F86-Q92 VanDerWaalsContact CD2-OE1 3.22Å; F86-Q92 HydrophobicContact CE2-CB 3.62Å; F86-Q92 HydrophobicContact CE2-CG 3.63Å; F86-Q92 HydrophobicContact CZ-CB 3.89Å; F86-Q92 HydrophobicContact CZ-CG 4.32Å; F86-L96 HydrophobicContact CD1-CD2 4.27Å; F86-L96 HydrophobicContact CE1-CB 3.86Å; F86-L96 HydrophobicContact CE1-CD1 4.06Å; F86-L96 HydrophobicContact CE1-CD2 4.06Å; F86-L96 HydrophobicContact CE1-CG 4.2Å
87P98.2Very high97.5Very high6 Ų630.5 Ų30.54%0.03916%0.157CC..  cis-74.9157.8-1.631.8-36000113.2Q92 A93 I183 Y187P87-Q92 HydrophobicContact CB-CB 3.58Å; P87-A93 HydrophobicContact CB-CB 3.95Å; P87-A93 HydrophobicContact CG-CB 3.78Å; P87-I183 HydrophobicContact CG-CG2 3.89Å; P87-Y187 HydrophobicContact CG-CE2 3.85Å
88R97.2Very high97.5Very high63 Ų6336.8 Ų36.824%0.23819%0.187CC..  trans-124.30.1172.3-65.9-169.7-177.5-164.60.4113.8L58 G85 N179L58-R88 HydrophobicContact CD1-CB 3.98Å; L58-R88 WeakPolarHBondContact CD1-O 3.49Å; L58-R88 HydrophobicContact CD2-CB 3.95Å; L58-R88 VanDerWaalsContact CD2-CD 3.46Å; L58-R88 HydrophobicContact CD2-CG 4.38Å; G85-R88 VanDerWaalsContact O-CG 3.28Å; G85-R88 WeakPolarHBondContact O-CG 3.4Å; G85-R88 PolarHBondContact O-NE 3.02Å; R88-N179 WeakPolarHBondContact O-CB 3.41Å
89T97.8Very high97.6Very high16 Ų1632.1 Ų32.110%0.09816%0.162CC..SBendtrans-137.1160.7168.569.80000108.6L58 D61 D91 Q92 A93L58-T89 HydrophobicContact CD1-CG2 3.65Å; D61-T89 VanDerWaalsContact CG-OG1 3.31Å; D61-T89 WeakPolarHBondContact OD1-CG2 3.19Å; D61-T89 PolarHBondContact OD1-OG1 3.12Å; D61-T89 PolarHBondContact OD2-OG1 3.08Å; T89-D91 PolarHBondContact O-N 3.3Å; T89-D91 PolarHBondContact OG1-N 3.16Å; T89-Q92 PolarHBondContact O-N 3.14Å; T89-Q92 VanDerWaalsContact OG1-CG 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.44Å; T89-Q92 PolarHBondContact OG1-N 3.33Å; T89-A93 PolarHBondContact O-N 3.46Å; T89-A93 VanDerWaalsContact O-N 3.1Å
90L97.7Very high97.7Very high54 Ų5426.9 Ų26.928%0.28314%0.139SC..Hα-helixtrans-62-34.1173.4-179.360.2000111.7A93 K94 P182 Y186L90-A93 WeakPolarHBondContact O-CB 3.33Å; L90-A93 PolarHBondContact O-N 3.5Å; L90-A93 VanDerWaalsContact O-N 3.17Å; L90-K94 HydrophobicContact CG-CD 4.48Å; L90-K94 WeakPolarHBondContact O-CG 3.4Å; L90-K94 PolarHBondContact O-N 3.33Å; L90-P182 HydrophobicContact CB-CB 4.39Å; L90-Y186 HydrophobicContact CD1-CD2 4.36Å; L90-Y186 HydrophobicContact CD1-CG 4.03Å
91D98.2Very high97.7Very high101 Ų10132 Ų3254%0.5417%0.171SC..Hα-helixtrans-68.4-37178.1-68.4-19.8000111.5T89 A93 K94 A95T89-D91 PolarHBondContact O-N 3.3Å; T89-D91 PolarHBondContact OG1-N 3.16Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-K94 PolarHBondContact O-N 3.39Å; D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.15Å; D91-A95 PolarHBondContact O-N 2.78Å
92Q98.5Very high97.6Very high3 Ų337.8 Ų37.81%0.01420%0.201CC..Hα-helixtrans-62.3-39.5168.9-71.3-179.911.200112D61 N65 F86 P87 T89 A95 L96D61-Q92 HydrophobicContact CB-CG 4.2Å; D61-Q92 WeakPolarHBondContact OD1-CG 3.42Å; D61-Q92 PolarHBondContact OD1-NE2 2.97Å; N65-Q92 WeakPolarHBondContact OD1-CG 3.5Å; F86-Q92 HydrophobicContact CD2-CB 4.26Å; F86-Q92 HydrophobicContact CD2-CG 4.28Å; F86-Q92 VanDerWaalsContact CD2-OE1 3.22Å; F86-Q92 HydrophobicContact CE2-CB 3.62Å; F86-Q92 HydrophobicContact CE2-CG 3.63Å; F86-Q92 HydrophobicContact CZ-CB 3.89Å; F86-Q92 HydrophobicContact CZ-CG 4.32Å; P87-Q92 HydrophobicContact CB-CB 3.58Å; T89-Q92 PolarHBondContact O-N 3.14Å; T89-Q92 VanDerWaalsContact OG1-CG 3.28Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.44Å; T89-Q92 PolarHBondContact OG1-N 3.33Å; Q92-A95 PolarHBondContact O-N 3.25Å; Q92-L96 WeakPolarHBondContact O-CB 3.45Å; Q92-L96 PolarHBondContact O-N 3.22Å
93A98.3Very high97.5Very high0 Ų040.6 Ų40.60%022%0.216CC..Hα-helixtrans-65.2-42178.700000111.9P87 T89 L90 D91 L96 A97 I183 Y186 Y187P87-A93 HydrophobicContact CB-CB 3.95Å; P87-A93 HydrophobicContact CG-CB 3.78Å; T89-A93 PolarHBondContact O-N 3.46Å; T89-A93 VanDerWaalsContact O-N 3.1Å; L90-A93 WeakPolarHBondContact O-CB 3.33Å; L90-A93 PolarHBondContact O-N 3.5Å; L90-A93 VanDerWaalsContact O-N 3.17Å; D91-A93 VanDerWaalsContact C-N 3.34Å; A93-L96 WeakPolarHBondContact O-CB 3.46Å; A93-L96 PolarHBondContact O-N 3.17Å; A93-A97 PolarHBondContact O-N 3.45Å; A93-A97 VanDerWaalsContact O-N 3.14Å; A93-I183 HydrophobicContact CB-CG2 4.4Å; A93-Y186 HydrophobicContact CB-CD1 3.99Å; A93-Y186 HydrophobicContact CB-CE1 4.12Å; A93-Y187 HydrophobicContact CB-CE2 4.26Å
94K98Very high97.3Very high97 Ų9748 Ų4842%0.42226%0.256SS..Hα-helixtrans-66-45.7174.1-69.5172.5-179.3170.20111.9L90 D91 L96 A97 E98L90-K94 HydrophobicContact CG-CD 4.48Å; L90-K94 WeakPolarHBondContact O-CG 3.4Å; L90-K94 PolarHBondContact O-N 3.33Å; D91-K94 PolarHBondContact O-N 3.39Å; K94-L96 VanDerWaalsContact C-N 3.25Å; K94-L96 PolarHBondContact O-N 2.91Å; K94-A97 WeakPolarHBondContact O-CB 3.38Å; K94-A97 PolarHBondContact O-N 2.99Å; K94-A97 VanDerWaalsContact O-N 3.09Å; K94-E98 PolarHBondContact O-N 3.1Å; K94-E98 VanDerWaalsContact O-N 3.1Å
95A98.2Very high97.4Very high15 Ų1549.2 Ų49.212%0.12426%0.261CS..Hα-helixtrans-60.7-37.1176.600000111.5N65 D91 Q92 E98 M99N65-A95 WeakPolarHBondContact ND2-CB 3.37Å; D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.15Å; D91-A95 PolarHBondContact O-N 2.78Å; Q92-A95 PolarHBondContact O-N 3.25Å; A95-E98 PolarHBondContact O-N 3.02Å; A95-M99 HydrophobicContact CB-CE 3.94Å; A95-M99 WeakPolarHBondContact O-CG 3.44Å; A95-M99 PolarHBondContact O-N 3.1Å
96L98.5Very high97.5Very high1 Ų155.7 Ų55.71%0.00529%0.286CS..Hα-helixtrans-61.9-44.1173.5-178.655.8000111.9I4 L72 L83 F86 Q92 A93 K94 E98 M99 L100 I107I4-L96 HydrophobicContact CD1-CD2 3.64Å; I4-L96 HydrophobicContact CG1-CD2 4.48Å; L72-L96 HydrophobicContact CD1-CD1 3.71Å; L83-L96 HydrophobicContact CD1-CD1 3.79Å; L83-L96 HydrophobicContact CD1-CD2 3.5Å; L83-L96 VanDerWaalsContact CD1-CD2 3.5Å; L83-L96 HydrophobicContact CD1-CG 4.31Å; F86-L96 HydrophobicContact CD1-CD2 4.27Å; F86-L96 HydrophobicContact CE1-CB 3.86Å; F86-L96 HydrophobicContact CE1-CD1 4.06Å; F86-L96 HydrophobicContact CE1-CD2 4.06Å; F86-L96 HydrophobicContact CE1-CG 4.2Å; Q92-L96 WeakPolarHBondContact O-CB 3.45Å; Q92-L96 PolarHBondContact O-N 3.22Å; A93-L96 WeakPolarHBondContact O-CB 3.46Å; A93-L96 PolarHBondContact O-N 3.17Å; K94-L96 VanDerWaalsContact C-N 3.25Å; K94-L96 PolarHBondContact O-N 2.91Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.29Å; L96-M99 PolarHBondContact O-N 2.92Å; L96-L100 HydrophobicContact CD1-CD1 3.84Å; L96-L100 HydrophobicContact CD1-CD2 4.29Å; L96-L100 HydrophobicContact CD1-CG 3.84Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.29Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.45Å; L96-L100 PolarHBondContact O-N 2.92Å; L96-I107 HydrophobicContact CD2-CD1 4.38Å
97A97.6Very high97.5Very high36 Ų3656.3 Ų56.330%0.29829%0.29SS..Hα-helixtrans-59.8-42177.500000111.8A93 K94 T101A93-A97 PolarHBondContact O-N 3.45Å; A93-A97 VanDerWaalsContact O-N 3.14Å; K94-A97 WeakPolarHBondContact O-CB 3.38Å; K94-A97 PolarHBondContact O-N 2.99Å; K94-A97 VanDerWaalsContact O-N 3.09Å; A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 PolarHBondContact O-N 2.85Å; A97-T101 PolarHBondContact O-OG1 2.73Å
98E97.8Very high97.5Very high133 Ų13359 Ų5962%0.62130%0.304SS*.Hα-helixtrans-63-49.2174-66.9176-173.900111.8K94 A95 L96 L100 T101 D102K94-E98 PolarHBondContact O-N 3.1Å; K94-E98 VanDerWaalsContact O-N 3.1Å; A95-E98 PolarHBondContact O-N 3.02Å; L96-E98 VanDerWaalsContact C-N 3.3Å; L96-E98 PolarHBondContact O-N 3.29Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 3.16Å; E98-T101 WeakPolarHBondContact O-CB 3.31Å; E98-T101 PolarHBondContact O-N 2.71Å; E98-D102 PolarHBondContact O-N 3.34Å
99M97.5Very high97.6Very high11 Ų1156.2 Ų56.25%0.05429%0.294CS..Hα-helixtrans-57.1-42.8177.9-70.4171.1-152.600112.3N65 V68 K69 A95 L96 D102 L103N65-M99 HydrophobicContact CB-CE 3.62Å; N65-M99 WeakPolarHBondContact O-CE 3.44Å; V68-M99 HydrophobicContact CG1-SD 4.4Å; K69-M99 HydrophobicContact CB-CE 4.2Å; K69-M99 HydrophobicContact CB-CG 4.19Å; K69-M99 HydrophobicContact CB-SD 3.75Å; K69-M99 HydrophobicContact CD-CG 4.25Å; K69-M99 HydrophobicContact CG-CG 4.11Å; K69-M99 HydrophobicContact CG-SD 4.34Å; A95-M99 HydrophobicContact CB-CE 3.94Å; A95-M99 WeakPolarHBondContact O-CG 3.44Å; A95-M99 PolarHBondContact O-N 3.1Å; L96-M99 PolarHBondContact O-N 2.92Å; M99-D102 PolarHBondContact O-N 3.44Å; M99-L103 WeakPolarHBondContact O-CB 3.26Å; M99-L103 WeakPolarHBondContact O-CD1 3.28Å; M99-L103 VanDerWaalsContact O-CG 3.25Å; M99-L103 WeakPolarHBondContact O-CG 3.25Å; M99-L103 PolarHBondContact O-N 3.25Å; M99-L103 VanDerWaalsContact O-N 3.12Å
100L97.4Very high97.6Very high6 Ų655.4 Ų55.43%0.03129%0.29CS..Hα-helixtrans-71.1-36.6-179.3-66.9176.1000111.5L72 F81 L96 E98 L103 N104 K105 I107L72-L100 HydrophobicContact CD1-CD2 4.16Å; F81-L100 HydrophobicContact CE1-CD2 4.06Å; F81-L100 HydrophobicContact CZ-CD2 3.6Å; L96-L100 HydrophobicContact CD1-CD1 3.84Å; L96-L100 HydrophobicContact CD1-CD2 4.29Å; L96-L100 HydrophobicContact CD1-CG 3.84Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.29Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.45Å; L96-L100 PolarHBondContact O-N 2.92Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 3.16Å; L100-L103 CarbonylContact O-C 3.59Å; L100-L103 PolarHBondContact O-N 3.24Å; L100-N104 PolarHBondContact O-N 3.06Å; L100-K105 CarbonylContact C-O 3.37Å; L100-K105 HydrophobicContact CB-CB 4.34Å; L100-K105 WeakPolarHBondContact CB-O 3.48Å; L100-K105 HydrophobicContact CD2-CB 3.83Å; L100-K105 PolarHBondContact O-N 3.05Å; L100-K105 VanDerWaalsContact O-O 3.05Å; L100-I107 HydrophobicContact CD1-CD1 3.5Å; L100-I107 HydrophobicContact CD1-CG1 3.53Å
101T96.9Very high97.6Very high108 Ų10852.9 Ų52.966%0.66328%0.276SS*.Hα-helixtrans-59.4-48.3172.7-58.30000110.9A97 E98 L103 N104A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 PolarHBondContact O-N 2.85Å; A97-T101 PolarHBondContact O-OG1 2.73Å; E98-T101 WeakPolarHBondContact O-CB 3.31Å; E98-T101 PolarHBondContact O-N 2.71Å; T101-L103 PolarHBondContact O-N 2.96Å; T101-N104 PolarHBondContact O-N 2.76Å; T101-N104 VanDerWaalsContact O-N 3.07Å
102D96.6Very high97.6Very high120 Ų12049.4 Ų49.464%0.64226%0.257SS*.Hα-helixtrans-58.9-34.3176.6-74.7-12.9000112.6K69 E98 M99 N104K69-D102 IonicContact NZ-OD2 2.83Å; E98-D102 PolarHBondContact O-N 3.34Å; M99-D102 PolarHBondContact O-N 3.44Å; D102-N104 VanDerWaalsContact C-N 3.35Å
103L96.1Very high97.6Very high59 Ų5949.3 Ų49.331%0.30926%0.256SS..THydrogen-bonded Turntrans-88.51.2-179.6-67.3170.8000113.5L72 A73 M99 L100 T101 K105L72-L103 HydrophobicContact CB-CD1 3.74Å; A73-L103 HydrophobicContact CB-CD2 4.49Å; M99-L103 WeakPolarHBondContact O-CB 3.26Å; M99-L103 WeakPolarHBondContact O-CD1 3.28Å; M99-L103 VanDerWaalsContact O-CG 3.25Å; M99-L103 WeakPolarHBondContact O-CG 3.25Å; M99-L103 PolarHBondContact O-N 3.25Å; M99-L103 VanDerWaalsContact O-N 3.12Å; L100-L103 CarbonylContact O-C 3.59Å; L100-L103 PolarHBondContact O-N 3.24Å; T101-L103 PolarHBondContact O-N 2.96Å; L103-K105 HydrophobicContact CB-CB 4.5Å; L103-K105 HydrophobicContact CB-CD 4.17Å; L103-K105 HydrophobicContact CB-CG 4.14Å; L103-K105 PolarHBondContact O-N 3.34Å
104N95.9Very high97.6Very high157 Ų15753.5 Ų53.584%0.8428%0.276SS*.THydrogen-bonded Turntrans52.242.8-171.7-168.745.9000112.7L100 T101 D102L100-N104 PolarHBondContact O-N 3.06Å; T101-N104 PolarHBondContact O-N 2.76Å; T101-N104 VanDerWaalsContact O-N 3.07Å; D102-N104 VanDerWaalsContact C-N 3.35Å
105K96.9Very high97.4Very high36 Ų3649.8 Ų49.816%0.15726%0.261CS..  trans-119.8164.7176.7-64.4-178.6-173.6-172.30109.2T77 D78 F81 L100 L103T77-K105 PolarHBondContact O-NZ 3.47Å; T77-K105 PolarHBondContact OG1-NZ 3.44Å; D78-K105 WeakPolarHBondContact OD1-CE 3.49Å; D78-K105 IonicContact OD1-NZ 3.68Å; D78-K105 PolarHBondContact OD1-NZ 2.92Å; F81-K105 HydrophobicContact CE1-CD 4.14Å; L100-K105 CarbonylContact C-O 3.37Å; L100-K105 HydrophobicContact CB-CB 4.34Å; L100-K105 WeakPolarHBondContact CB-O 3.48Å; L100-K105 HydrophobicContact CD2-CB 3.83Å; L100-K105 PolarHBondContact O-N 3.05Å; L100-K105 VanDerWaalsContact O-O 3.05Å; L103-K105 HydrophobicContact CB-CB 4.5Å; L103-K105 HydrophobicContact CB-CD 4.17Å; L103-K105 HydrophobicContact CB-CG 4.14Å; L103-K105 PolarHBondContact O-N 3.34Å
106K96.6Very high97.2Very high144 Ų14451.3 Ų51.363%0.62627%0.274SS*.  trans-142.7158.2173.264.5176.1-175.3171.40110.1N2 D108N2-K106 WeakPolarHBondContact CB-O 3.33Å; N2-K106 PolarHBondContact ND2-O 3.21Å; K106-D108 WeakPolarHBondContact CE-OD1 3.28Å
107I98.2Very high96.7Very high17 Ų1755.9 Ų55.99%0.08730%0.296CS..  trans-77.7134166.8-63.2-56.3000108.9N2 I4 F81 L83 L96 L100 V110 L192N2-I107 HydrophobicContact CB-CD1 4.36Å; I4-I107 HydrophobicContact CD1-CD1 3.93Å; I4-I107 HydrophobicContact CD1-CG1 3.9Å; I4-I107 HydrophobicContact CD1-CG2 4.23Å; I4-I107 HydrophobicContact CG1-CD1 3.79Å; I4-I107 HydrophobicContact CG1-CG1 4.23Å; I4-I107 HydrophobicContact CG1-CG2 4.17Å; F81-I107 HydrophobicContact CE2-CD1 4.02Å; F81-I107 HydrophobicContact CZ-CD1 4.14Å; L83-I107 HydrophobicContact CD1-CD1 4.45Å; L96-I107 HydrophobicContact CD2-CD1 4.38Å; L100-I107 HydrophobicContact CD1-CD1 3.5Å; L100-I107 HydrophobicContact CD1-CG1 3.53Å; I107-V110 HydrophobicContact CG2-CG2 3.85Å; I107-L192 HydrophobicContact CB-CD1 4.32Å; I107-L192 HydrophobicContact CG2-CD1 4.35Å
108D97.8Very high96.2Very high61 Ų6161.5 Ų61.533%0.32632%0.316SS..  trans-93.7-36.3178-62.9-49000111.3M1 N2 K106M1-D108 VanDerWaalsContact C-OD2 3.29Å; M1-D108 WeakPolarHBondContact CA-OD2 3.35Å; M1-D108 PolarHBondContact N-OD2 2.83Å; N2-D108 PolarHBondContact N-OD2 3.31Å; N2-D108 PolarHBondContact O-N 3.32Å; K106-D108 WeakPolarHBondContact CE-OD1 3.28Å
109A98.2Very high95.9Very high5 Ų556.7 Ų56.74%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-156.3147.7175.300000112.4L3 I4 Y194 I212L3-A109 WeakPolarHBondContact CA-O 3.28Å; L3-A109 HydrophobicContact CD2-CB 3.76Å; I4-A109 PolarHBondContact N-O 3.31Å; A109-Y194 HydrophobicContact CB-CD2 3.87Å; A109-Y194 HydrophobicContact CB-CE2 3.86Å; A109-I212 HydrophobicContact CB-CG2 4.14Å
110V98.6Very high95.7Very high0 Ų056.2 Ų56.20%029%0.293CS..EExtended strand (participates in β ladder)trans-113.4109.9168.9-177.90000108.1I4 M6 I107 Y187 L192 L193 Y194I4-V110 HydrophobicContact CB-CB 4.36Å; I4-V110 HydrophobicContact CB-CG1 4.11Å; I4-V110 HydrophobicContact CB-CG2 3.99Å; I4-V110 HydrophobicContact CD1-CG2 3.94Å; I4-V110 HydrophobicContact CG1-CG2 4.22Å; I4-V110 HydrophobicContact CG2-CG1 4.21Å; I4-V110 CarbonylContact O-C 3.58Å; I4-V110 WeakPolarHBondContact O-CA 3.12Å; M6-V110 HydrophobicContact CG-CG1 3.82Å; M6-V110 HydrophobicContact SD-CG1 3.71Å; I107-V110 HydrophobicContact CG2-CG2 3.85Å; V110-Y187 HydrophobicContact CB-CD2 4.46Å; V110-Y187 HydrophobicContact CB-CG 4.25Å; V110-Y187 HydrophobicContact CG1-CD2 4.04Å; V110-Y187 HydrophobicContact CG1-CG 4.3Å; V110-Y187 HydrophobicContact CG2-CD1 3.6Å; V110-Y187 HydrophobicContact CG2-CD2 3.92Å; V110-Y187 HydrophobicContact CG2-CE1 3.98Å; V110-Y187 HydrophobicContact CG2-CE2 4.26Å; V110-Y187 HydrophobicContact CG2-CG 3.58Å; V110-L192 HydrophobicContact CG2-CB 4.22Å; V110-L192 PolarHBondContact N-O 3.03Å; V110-L193 HydrophobicContact CB-CD1 4.38Å; V110-L193 HydrophobicContact CG1-CD1 3.99Å; V110-L193 CarbonylContact O-C 3.54Å; V110-L193 WeakPolarHBondContact O-CA 3.38Å; V110-Y194 PolarHBondContact O-N 3.11Å
111I98.6Very high95.5Very high0 Ų059.3 Ų59.30%031%0.312CS..EExtended strand (participates in β ladder)trans-97.7116.1-177.5-63.8153.5000107.9I4 L5 M6 I113 Y194 V196 V209 I212 I213I4-I111 PolarHBondContact O-N 3.25Å; L5-I111 HydrophobicContact CD1-CB 3.97Å; L5-I111 HydrophobicContact CD1-CG2 3.82Å; M6-I111 PolarHBondContact N-O 2.85Å; I111-I113 HydrophobicContact CG2-CG1 4.38Å; I111-Y194 WeakPolarHBondContact CA-O 3.31Å; I111-V196 HydrophobicContact CG2-CG2 4.03Å; I111-V209 HydrophobicContact CD1-CG1 4.05Å; I111-V209 HydrophobicContact CG2-CG2 4.04Å; I111-I212 HydrophobicContact CG1-CD1 4.49Å; I111-I212 HydrophobicContact CG1-CG2 4.09Å; I111-I213 HydrophobicContact CD1-CD1 4.33Å; I111-I213 HydrophobicContact CD1-CG1 4.16Å
112E98.4Very high95.2Very high29 Ų2959.1 Ų59.114%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-99.4116.2176.1-176.2-163.5-167.400110.1M6 Q114 L184 L193 Y194 P195 V196M6-E112 HydrophobicContact CB-CB 4.37Å; M6-E112 HydrophobicContact CB-CG 4.46Å; E112-Q114 HydrophobicContact CG-CG 4.01Å; E112-Q114 PolarHBondContact O-N 3.11Å; E112-Q114 PolarHBondContact OE2-NE2 3.31Å; E112-L184 HydrophobicContact CB-CD2 4.09Å; E112-L184 HydrophobicContact CG-CD2 3.84Å; E112-L184 WeakPolarHBondContact OE1-CD1 3.32Å; E112-L193 HydrophobicContact CB-CD1 3.97Å; E112-Y194 PolarHBondContact N-O 3.46Å; E112-P195 CarbonylContact O-C 3Å; E112-V196 PolarHBondContact O-N 3.07Å
113I97.9Very high95.1Very high1 Ų155 Ų551%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-89109.8173.6-53.3-152.9000109.7L5 M6 G7 A11 Q16 I111 V205L5-I113 HydrophobicContact CD1-CD1 3.99Å; L5-I113 HydrophobicContact CD1-CG1 3.92Å; M6-I113 PolarHBondContact O-N 3.49Å; G7-I113 WeakPolarHBondContact CA-O 3.29Å; A11-I113 HydrophobicContact CB-CB 4.5Å; A11-I113 HydrophobicContact CB-CG2 4.32Å; A11-I113 WeakPolarHBondContact CB-O 3.31Å; A11-I113 WeakPolarHBondContact O-CG2 3.4Å; Q16-I113 HydrophobicContact CB-CD1 3.79Å; Q16-I113 HydrophobicContact CG-CD1 3.44Å; Q16-I113 VanDerWaalsContact CG-CD1 3.44Å; I111-I113 HydrophobicContact CG2-CG1 4.38Å; I113-V205 HydrophobicContact CD1-CG1 4.11Å
114Q97.3Very high94.9Very high88 Ų8852.2 Ų52.241%0.41126%0.264SS..EExtended strand (participates in β ladder)trans-94.5127.6-175.1-63.8-175.3-25.700110.6E112 V196 G198E112-Q114 HydrophobicContact CG-CG 4.01Å; E112-Q114 PolarHBondContact O-N 3.11Å; E112-Q114 PolarHBondContact OE2-NE2 3.31Å; Q114-V196 PolarHBondContact N-O 3.35Å; Q114-G198 WeakPolarHBondContact O-CA 3.43Å; Q114-G198 PolarHBondContact O-N 3.02Å
115V95.5Very high94.7Very high18 Ų1846.5 Ų46.511%0.10924%0.239CC..  trans-144.1137.1176.2178.40000107.1A11 V119 L120A11-V115 HydrophobicContact CB-CB 4.35Å; A11-V115 HydrophobicContact CB-CG2 3.96Å; V115-V119 HydrophobicContact CG1-CB 4.01Å; V115-V119 HydrophobicContact CG1-CG1 4.22Å; V115-L120 HydrophobicContact CB-CD2 3.78Å; V115-L120 HydrophobicContact CG1-CD2 3.73Å; V115-L120 HydrophobicContact CG1-CG 4.33Å
116A92.5Very high94.6Very high48 Ų4845.2 Ų45.240%0.39724%0.236SC..  trans-59.6138.4179.300000111.3E118 V119 L120A116-E118 WeakPolarHBondContact CB-OE2 3.4Å; A116-E118 PolarHBondContact O-N 3.42Å; A116-V119 HydrophobicContact CB-CG2 4.32Å; A116-V119 PolarHBondContact O-N 3.49Å; A116-L120 PolarHBondContact O-N 3.48Å
117E89Confident94.6Very high97 Ų9739.9 Ų39.945%0.45321%0.212SC..Hα-helixtrans-58.8-33.4-172.9-72.1-170.9-15900113.1L8 V119 L120 V177L8-E117 HydrophobicContact CD1-CG 4Å; E117-V119 PolarHBondContact O-N 3.25Å; E117-L120 HydrophobicContact CG-CD1 4.48Å; E117-L120 WeakPolarHBondContact O-CB 3.37Å; E117-L120 PolarHBondContact O-N 3.41Å; E117-L120 VanDerWaalsContact O-N 3.11Å; E117-V177 VanDerWaalsContact OE1-CG2 3.31Å; E117-V177 WeakPolarHBondContact OE1-CG2 2.99Å
118E87.1Confident94.4Very high154 Ų15440.9 Ų40.972%0.7222%0.216SC*.Hα-helixtrans-62.5-33.3-179.5-56.576.3-165.400111.6A116A116-E118 WeakPolarHBondContact CB-OE2 3.4Å; A116-E118 PolarHBondContact O-N 3.42Å
119V91Very high94.3Very high32 Ų3238 Ų3819%0.19420%0.2CC..Hα-helixtrans-79.5-28179.1-173.10000110.9V115 A116 E117 V121 E122 R123V115-V119 HydrophobicContact CG1-CB 4.01Å; V115-V119 HydrophobicContact CG1-CG1 4.22Å; A116-V119 HydrophobicContact CB-CG2 4.32Å; A116-V119 PolarHBondContact O-N 3.49Å; E117-V119 PolarHBondContact O-N 3.25Å; V119-V121 PolarHBondContact O-N 2.89Å; V119-E122 PolarHBondContact O-N 2.92Å; V119-R123 HydrophobicContact CG1-CG 4.06Å; V119-R123 VanDerWaalsContact CG1-NE 3.32Å; V119-R123 WeakPolarHBondContact O-CB 3.48Å; V119-R123 WeakPolarHBondContact O-CG 3.27Å; V119-R123 PolarHBondContact O-N 3.07Å
120L93.8Very high94.2Very high0 Ų037.8 Ų37.80%020%0.198CC..Hα-helixtrans-65.1-38.6-175-64.7179.1000113.2L8 P9 A11 V115 A116 E117 R123 L124 L173L8-L120 HydrophobicContact CB-CD1 3.4Å; L8-L120 HydrophobicContact CD1-CD1 3.53Å; L8-L120 HydrophobicContact CG-CD1 4.11Å; P9-L120 WeakPolarHBondContact O-CD2 3.41Å; A11-L120 HydrophobicContact CB-CD2 4.26Å; V115-L120 HydrophobicContact CB-CD2 3.78Å; V115-L120 HydrophobicContact CG1-CD2 3.73Å; V115-L120 HydrophobicContact CG1-CG 4.33Å; A116-L120 PolarHBondContact O-N 3.48Å; E117-L120 HydrophobicContact CG-CD1 4.48Å; E117-L120 WeakPolarHBondContact O-CB 3.37Å; E117-L120 PolarHBondContact O-N 3.41Å; E117-L120 VanDerWaalsContact O-N 3.11Å; L120-R123 PolarHBondContact O-N 3.38Å; L120-L124 WeakPolarHBondContact O-CB 3.31Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.19Å; L120-L173 HydrophobicContact CB-CD1 4.25Å; L120-L173 HydrophobicContact CB-CD2 4.07Å; L120-L173 HydrophobicContact CD1-CD2 3.71Å
121V91.7Very high94Very high72 Ų7244.2 Ų44.244%0.43622%0.222SC..Hα-helixtrans-62.7-46.4-179.6178.70000110.5V119 L124 A125 V169 L173V119-V121 PolarHBondContact O-N 2.89Å; V121-L124 PolarHBondContact O-N 2.83Å; V121-A125 WeakPolarHBondContact O-CB 3.36Å; V121-A125 PolarHBondContact O-N 3.04Å; V121-V169 HydrophobicContact CG1-CG1 4.33Å; V121-V169 HydrophobicContact CG2-CG1 4.22Å; V121-L173 HydrophobicContact CG2-CD1 3.69Å
122E91.2Very high93.8Very high103 Ų10349.9 Ų49.948%0.48125%0.253SS..Hα-helixtrans-62.7-46.3176.3-174.9177.9-17800111.1V119 L124 A125 G126 H138V119-E122 PolarHBondContact O-N 2.92Å; E122-L124 VanDerWaalsContact C-N 3.26Å; E122-L124 PolarHBondContact O-N 3.47Å; E122-A125 PolarHBondContact O-N 3.09Å; E122-G126 PolarHBondContact O-N 3.47Å; E122-H138 PolarHBondContact O-NE2 3.17Å
123R94.3Very high93.6Very high34 Ų3450.7 Ų50.713%0.12826%0.261CS..Hα-helixtrans-59.4-34.4177.4-75.2-178.8-179-156.85.3113G10 V119 L120 H138 F141 G198 D199G10-R123 WeakPolarHBondContact O-CD 3.39Å; V119-R123 HydrophobicContact CG1-CG 4.06Å; V119-R123 VanDerWaalsContact CG1-NE 3.32Å; V119-R123 WeakPolarHBondContact O-CB 3.48Å; V119-R123 WeakPolarHBondContact O-CG 3.27Å; V119-R123 PolarHBondContact O-N 3.07Å; L120-R123 PolarHBondContact O-N 3.38Å; R123-H138 PolarHBondContact O-CD2 3.29Å; R123-H138 PolarHBondContact O-NE2 3.13Å; R123-F141 HydrophobicContact CG-CD2 3.78Å; R123-F141 HydrophobicContact CG-CE2 3.68Å; R123-G198 PolarHBondContact NH1-O 3.26Å; R123-G198 PolarHBondContact NH2-O 2.99Å; R123-D199 IonicContact CZ-OD1 3.15Å; R123-D199 IonicContact NH2-OD1 2.76Å; R123-D199 PolarHBondContact NH2-OD1 3.29Å
124L93.5Very high93.3Very high0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-76.5-44.6177.1-72.3165.5000111.5P9 L120 V121 E122 G126 R127 D164 V169 L173P9-L124 HydrophobicContact CB-CD1 4Å; P9-L124 HydrophobicContact CB-CD2 4.19Å; L120-L124 WeakPolarHBondContact O-CB 3.31Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.19Å; V121-L124 PolarHBondContact O-N 2.83Å; E122-L124 VanDerWaalsContact C-N 3.26Å; E122-L124 PolarHBondContact O-N 3.47Å; L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.33Å; L124-R127 VanDerWaalsContact O-CB 3.24Å; L124-R127 WeakPolarHBondContact O-CB 3.21Å; L124-R127 PolarHBondContact O-N 3.35Å; L124-R127 VanDerWaalsContact O-N 3.09Å; L124-D164 WeakPolarHBondContact CD2-OD1 3.42Å; L124-V169 HydrophobicContact CB-CG1 4.36Å; L124-V169 HydrophobicContact CB-CG2 3.87Å; L124-V169 HydrophobicContact CD1-CB 4.41Å; L124-V169 HydrophobicContact CD1-CG1 3.62Å; L124-V169 HydrophobicContact CD1-CG2 4.04Å; L124-L173 HydrophobicContact CD1-CD2 4.22Å; L124-L173 HydrophobicContact CD1-CG 4.35Å
125A91.7Very high93Very high38 Ų3848.1 Ų48.131%0.31426%0.258SS..Hα-helixtrans-64.1-32.1-178.800000113V121 E122 Q160V121-A125 WeakPolarHBondContact O-CB 3.36Å; V121-A125 PolarHBondContact O-N 3.04Å; E122-A125 PolarHBondContact O-N 3.09Å; A125-Q160 PolarHBondContact O-NE2 3Å
126G93.6Very high92.9Very high8 Ų848.3 Ų48.38%0.08226%0.259CS..THydrogen-bonded Turntrans-87.20.1175.700000114.8E122 L124 H138 K139E122-G126 PolarHBondContact O-N 3.47Å; L124-G126 VanDerWaalsContact C-N 3.28Å; L124-G126 PolarHBondContact O-N 3.33Å; G126-H138 WeakPolarHBondContact CA-NE2 3.32Å; G126-H138 WeakPolarHBondContact O-CA 3.2Å; G126-H138 PolarHBondContact O-CD2 3.33Å; G126-K139 PolarHBondContact O-N 2.79Å
127R95.8Very high93Very high32 Ų3246.6 Ų46.612%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-78.4136-176.2-154.2177.361.6-178.31.6112L124 M129 T136 Y137 R161 D164L124-R127 VanDerWaalsContact O-CB 3.24Å; L124-R127 WeakPolarHBondContact O-CB 3.21Å; L124-R127 PolarHBondContact O-N 3.35Å; L124-R127 VanDerWaalsContact O-N 3.09Å; R127-M129 HydrophobicContact CB-CE 3.95Å; R127-M129 HydrophobicContact CG-CE 3.42Å; R127-M129 VanDerWaalsContact CG-CE 3.42Å; R127-T136 HydrophobicContact CG-CG2 3.83Å; R127-Y137 WeakPolarHBondContact CA-O 3.15Å; R127-R161 VanDerWaalsContact NH2-CD 3.29Å; R127-R161 VanDerWaalsContact NH2-NH1 3.1Å; R127-D164 IonicContact CZ-OD1 3.72Å; R127-D164 IonicContact CZ-OD2 2.56Å; R127-D164 IonicContact NE-OD1 3.11Å; R127-D164 IonicContact NE-OD2 2.8Å; R127-D164 PolarHBondContact NE-OD2 3.45Å; R127-D164 IonicContact NH2-OD1 3.71Å; R127-D164 PolarHBondContact NH2-OD1 3.04Å; R127-D164 IonicContact NH2-OD2 3.5Å; R127-D164 PolarHBondContact NH2-OD2 2.85Å
128F96Very high93.4Very high39 Ų3942.6 Ų42.617%0.17122%0.224CC..EExtended strand (participates in β ladder)trans-146.9154.2173.262.4-85.5000111.2Y137 K139 T144 F158 Y159F128-Y137 HydrophobicContact CD2-CD2 4.47Å; F128-Y137 VanDerWaalsContact CE2-CB 3.42Å; F128-Y137 HydrophobicContact CE2-CD2 4.1Å; F128-Y137 AromaticContact CE2-CG 3.96Å; F128-Y137 HydrophobicContact CE2-CG 3.96Å; F128-Y137 HydrophobicContact CZ-CG 4.21Å; F128-Y137 PolarHBondContact N-O 3.13Å; F128-Y137 PolarHBondContact O-N 3.3Å; F128-K139 HydrophobicContact CD1-CG 4.16Å; F128-K139 HydrophobicContact CE1-CG 3.98Å; F128-T144 HydrophobicContact CE2-CG2 4.26Å; F128-T144 HydrophobicContact CZ-CG2 4.46Å; F128-F158 HydrophobicContact CD2-CB 4.03Å; F128-F158 AromaticContact CD2-CD1 3.53Å; F128-F158 HydrophobicContact CD2-CD1 3.53Å; F128-F158 HydrophobicContact CD2-CE1 4.21Å; F128-F158 AromaticContact CD2-CG 3.95Å; F128-F158 HydrophobicContact CD2-CG 3.95Å; F128-F158 AromaticContact CE2-CD1 3.72Å; F128-F158 HydrophobicContact CE2-CD1 3.72Å; F128-F158 AromaticContact CE2-CE1 3.95Å; F128-F158 HydrophobicContact CE2-CE1 3.95Å; F128-F158 HydrophobicContact CE2-CG 4.24Å; F128-Y159 CarbonylContact C-O 3.55Å; F128-Y159 WeakPolarHBondContact CA-O 3.47Å
129M94.7Very high93.7Very high0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-123.3146.2-175.5-52.784.1-127.700110.7R127 R131 A135 T136 F158 Y159 R161R127-M129 HydrophobicContact CB-CE 3.95Å; R127-M129 HydrophobicContact CG-CE 3.42Å; R127-M129 VanDerWaalsContact CG-CE 3.42Å; M129-R131 PolarHBondContact O-N 3.27Å; M129-A135 CarbonylContact C-O 3.58Å; M129-A135 VanDerWaalsContact CA-O 3.25Å; M129-A135 WeakPolarHBondContact CA-O 3.49Å; M129-T136 HydrophobicContact CE-CG2 4.49Å; M129-F158 CarbonylContact O-C 3.6Å; M129-F158 WeakPolarHBondContact O-CA 3.39Å; M129-Y159 HydrophobicContact CB-CD1 4.22Å; M129-Y159 HydrophobicContact CB-CE1 3.7Å; M129-Y159 PolarHBondContact N-O 2.94Å; M129-Y159 WeakPolarHBondContact O-CD1 3.13Å; M129-Y159 PolarHBondContact O-N 3.35Å; M129-Y159 HydrophobicContact SD-CE2 4.47Å; M129-R161 HydrophobicContact CE-CG 4.41Å; M129-R161 HydrophobicContact SD-CG 3.62Å
130C96.1Very high93.8Very high0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-66.3125.5169.1178.70000109.6N132 G134 A135 Y137 C150 F158C130-N132 PolarHBondContact O-N 2.96Å; C130-N132 PolarHBondContact SG-N 3.19Å; C130-G134 VanDerWaalsContact O-CA 3.31Å; C130-G134 WeakPolarHBondContact O-CA 3.29Å; C130-G134 PolarHBondContact O-N 3.46Å; C130-A135 HydrophobicContact CB-CB 4.2Å; C130-A135 PolarHBondContact N-O 2.88Å; C130-Y137 HydrophobicContact CB-CE2 4.42Å; C130-C150 HydrophobicContact CB-CB 3.97Å; C130-C150 VanDerWaalsContact SG-CB 3.57Å; C130-C150 VanDerWaalsContact SG-SG 3.63Å; C130-F158 HydrophobicContact CB-CD1 4.22Å; C130-F158 HydrophobicContact CB-CE1 4.06Å
131R95.1Very high93.6Very high136 Ų13650.1 Ų50.151%0.51326%0.256SS..THydrogen-bonded Turntrans-65.4-26.2179.6-171.3171.8-73.2-83.85.1113M129 E157 Y159M129-R131 PolarHBondContact O-N 3.27Å; R131-E157 HydrophobicContact CB-CB 3.92Å; R131-E157 WeakPolarHBondContact CB-O 3.44Å; R131-E157 WeakPolarHBondContact CD-OE2 3.49Å; R131-E157 PolarHBondContact N-O 2.83Å; R131-Y159 HydrophobicContact CB-CD1 4.07Å; R131-Y159 HydrophobicContact CG-CD1 4.49Å; R131-Y159 VanDerWaalsContact NH2-CB 3.31Å
132N94.6Very high93.7Very high119 Ų11949 Ų4964%0.63625%0.248SC*.THydrogen-bonded Turntrans-81.7-50-178.1-172.942.1000113C130 C153C130-N132 PolarHBondContact O-N 2.96Å; C130-N132 PolarHBondContact SG-N 3.19Å; N132-C153 PolarHBondContact ND2-SG 3.21Å
133C93.1Very high93.9Very high45 Ų4547.4 Ų47.430%0.30425%0.246SC..THydrogen-bonded Turntrans-117.1-2.3-172.7700000115.4A135 C150 C153C133-A135 PolarHBondContact O-N 3.02Å; C133-A135 VanDerWaalsContact SG-CB 3.54Å; C133-C150 PolarHBondContact SG-SG 3.37Å; C133-C153 HydrophobicContact CB-CB 3.95Å; C133-C153 PolarHBondContact SG-SG 3.44Å
134G90.8Very high94Very high35 Ų3546.8 Ų46.836%0.36125%0.246SC..  trans76.6-1.9179.800000115.7C130 T136C130-G134 VanDerWaalsContact O-CA 3.31Å; C130-G134 WeakPolarHBondContact O-CA 3.29Å; C130-G134 PolarHBondContact O-N 3.46Å; G134-T136 PolarHBondContact O-N 3.16Å
135A92.5Very high94.2Very high0 Ų055.6 Ų55.60%028%0.284CS..  trans-49.8131.2176.100000111.6M129 C130 C133 Y137 R152M129-A135 CarbonylContact C-O 3.58Å; M129-A135 VanDerWaalsContact CA-O 3.25Å; M129-A135 WeakPolarHBondContact CA-O 3.49Å; C130-A135 HydrophobicContact CB-CB 4.2Å; C130-A135 PolarHBondContact N-O 2.88Å; C133-A135 PolarHBondContact O-N 3.02Å; C133-A135 VanDerWaalsContact SG-CB 3.54Å; A135-Y137 HydrophobicContact CB-CE2 3.62Å; A135-Y137 WeakPolarHBondContact O-CD2 3.47Å; A135-R152 HydrophobicContact CB-CB 4.2Å; A135-R152 VanDerWaalsContact CB-NH2 3.28Å
136T93.2Very high94.5Very high22 Ų2258.1 Ų58.114%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-98.9131.9-175-61.20000111.3R127 M129 G134 N142R127-T136 HydrophobicContact CG-CG2 3.83Å; M129-T136 HydrophobicContact CE-CG2 4.49Å; G134-T136 PolarHBondContact O-N 3.16Å; T136-N142 PolarHBondContact O-ND2 3.04Å
137Y95.3Very high94.6Very high12 Ų1266.6 Ų66.65%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-129.4167.6179.7-61.5-84.2000110.6R127 F128 C130 A135 N142 T144 C150 D151 F158R127-Y137 WeakPolarHBondContact CA-O 3.15Å; F128-Y137 HydrophobicContact CD2-CD2 4.47Å; F128-Y137 VanDerWaalsContact CE2-CB 3.42Å; F128-Y137 HydrophobicContact CE2-CD2 4.1Å; F128-Y137 AromaticContact CE2-CG 3.96Å; F128-Y137 HydrophobicContact CE2-CG 3.96Å; F128-Y137 HydrophobicContact CZ-CG 4.21Å; F128-Y137 PolarHBondContact N-O 3.13Å; F128-Y137 PolarHBondContact O-N 3.3Å; C130-Y137 HydrophobicContact CB-CE2 4.42Å; A135-Y137 HydrophobicContact CB-CE2 3.62Å; A135-Y137 WeakPolarHBondContact O-CD2 3.47Å; Y137-N142 WeakPolarHBondContact CA-O 3.44Å; Y137-N142 WeakPolarHBondContact CB-O 3.45Å; Y137-T144 HydrophobicContact CD1-CG2 3.69Å; Y137-T144 HydrophobicContact CD2-CG2 4.22Å; Y137-T144 HydrophobicContact CE1-CG2 3.76Å; Y137-T144 HydrophobicContact CE2-CG2 4.27Å; Y137-T144 HydrophobicContact CG-CG2 3.94Å; Y137-C150 PolarHBondContact OH-SG 2.91Å; Y137-D151 HydrophobicContact CE1-CB 4.35Å; Y137-D151 WeakPolarHBondContact CE1-OD2 3.33Å; Y137-D151 PolarHBondContact OH-N 2.84Å; Y137-F158 HydrophobicContact CD2-CD1 4.43Å; Y137-F158 AromaticContact CD2-CE1 3.93Å; Y137-F158 HydrophobicContact CD2-CE1 3.93Å; Y137-F158 AromaticContact CE2-CE1 3.94Å; Y137-F158 HydrophobicContact CE2-CE1 3.94Å
138H95.5Very high94.5Very high13 Ų1366.7 Ų66.76%0.0634%0.344CS..EExtended strand (participates in β ladder)trans-139.2140.6173.3-176.2-83.1000110.1E122 R123 G126 I140 F141 N142 P143E122-H138 PolarHBondContact O-NE2 3.17Å; R123-H138 PolarHBondContact O-CD2 3.29Å; R123-H138 PolarHBondContact O-NE2 3.13Å; G126-H138 WeakPolarHBondContact CA-NE2 3.32Å; G126-H138 WeakPolarHBondContact O-CA 3.2Å; G126-H138 PolarHBondContact O-CD2 3.33Å; H138-I140 PolarHBondContact ND1-N 2.91Å; H138-I140 PolarHBondContact O-N 2.87Å; H138-I140 VanDerWaalsContact O-N 3.09Å; H138-F141 HydrophobicContact CB-CB 4.44Å; H138-F141 AromaticContact CE1-CD2 3.16Å; H138-F141 WeakPolarHBondContact CE1-CD2 3.28Å; H138-F141 AromaticContact CE1-CE2 3.49Å; H138-F141 VanDerWaalsContact CE1-CE2 3.49Å; H138-F141 WeakPolarHBondContact CE1-CE2 3.44Å; H138-F141 AromaticContact CG-CD2 3.84Å; H138-F141 AromaticContact ND1-CD2 3.24Å; H138-F141 WeakPolarHBondContact ND1-CD2 3.4Å; H138-F141 AromaticContact ND1-CG 3.87Å; H138-F141 PolarHBondContact ND1-N 2.95Å; H138-F141 AromaticContact NE2-CD2 3.71Å; H138-F141 AromaticContact NE2-CE2 3.98Å; H138-N142 HydrophobicContact CB-CB 4.26Å; H138-N142 PolarHBondContact N-O 3.28Å; H138-N142 CarbonylContact O-C 3.54Å; H138-N142 PolarHBondContact O-N 3.35Å; H138-N142 VanDerWaalsContact O-O 3.05Å; H138-P143 VanDerWaalsContact O-CA 3.28Å; H138-P143 WeakPolarHBondContact O-CA 3.47Å
139K94.4Very high94.6Very high143 Ų14366.4 Ų66.462%0.62235%0.345SS*.THydrogen-bonded Turntrans-55.2-33.6-174.8-69173.9-176.4172.60114.3G126 F128G126-K139 PolarHBondContact O-N 2.79Å; F128-K139 HydrophobicContact CD1-CG 4.16Å; F128-K139 HydrophobicContact CE1-CG 3.98Å
140I92.4Very high94.8Very high111 Ų11166.5 Ų66.557%0.56935%0.346SS*.THydrogen-bonded Turntrans-113.2-60.9-176.3-56174.7000112.1H138 N142 P143H138-I140 PolarHBondContact ND1-N 2.91Å; H138-I140 PolarHBondContact O-N 2.87Å; H138-I140 VanDerWaalsContact O-N 3.09Å; I140-N142 PolarHBondContact O-N 2.92Å; I140-P143 WeakPolarHBondContact O-CD 3.28Å
141F91Very high94.8Very high91 Ų9169.7 Ų69.740%0.39936%0.363SS..THydrogen-bonded Turntrans-73.5-17.8-174-50.9-66000116.8R123 H138R123-F141 HydrophobicContact CG-CD2 3.78Å; R123-F141 HydrophobicContact CG-CE2 3.68Å; H138-F141 HydrophobicContact CB-CB 4.44Å; H138-F141 AromaticContact CE1-CD2 3.16Å; H138-F141 WeakPolarHBondContact CE1-CD2 3.28Å; H138-F141 AromaticContact CE1-CE2 3.49Å; H138-F141 VanDerWaalsContact CE1-CE2 3.49Å; H138-F141 WeakPolarHBondContact CE1-CE2 3.44Å; H138-F141 AromaticContact CG-CD2 3.84Å; H138-F141 AromaticContact ND1-CD2 3.24Å; H138-F141 WeakPolarHBondContact ND1-CD2 3.4Å; H138-F141 AromaticContact ND1-CG 3.87Å; H138-F141 PolarHBondContact ND1-N 2.95Å; H138-F141 AromaticContact NE2-CD2 3.71Å; H138-F141 AromaticContact NE2-CE2 3.98Å
142N92.8Very high94.7Very high48 Ų4869.2 Ų69.226%0.25736%0.362SS..BIsolated β-bridgetrans-156.463178.7-170.836.4000110.5T136 Y137 H138 I140 I202T136-N142 PolarHBondContact O-ND2 3.04Å; Y137-N142 WeakPolarHBondContact CA-O 3.44Å; Y137-N142 WeakPolarHBondContact CB-O 3.45Å; H138-N142 HydrophobicContact CB-CB 4.26Å; H138-N142 PolarHBondContact N-O 3.28Å; H138-N142 CarbonylContact O-C 3.54Å; H138-N142 PolarHBondContact O-N 3.35Å; H138-N142 VanDerWaalsContact O-O 3.05Å; I140-N142 PolarHBondContact O-N 2.92Å; N142-I202 HydrophobicContact CB-CD1 4.06Å
143P95.5Very high94.8Very high70 Ų7066 Ų6646%0.45535%0.347SS..  trans-71.1160.2-178.632-34.4000110.1H138 I140H138-P143 VanDerWaalsContact O-CA 3.28Å; H138-P143 WeakPolarHBondContact O-CA 3.47Å; I140-P143 WeakPolarHBondContact O-CD 3.28Å
144T97.2Very high95Very high20 Ų2065.6 Ų65.612%0.12335%0.351CS..  trans-64.5143.8168.849.40000110F128 Y137 V146 T149 D151 F158F128-T144 HydrophobicContact CE2-CG2 4.26Å; F128-T144 HydrophobicContact CZ-CG2 4.46Å; Y137-T144 HydrophobicContact CD1-CG2 3.69Å; Y137-T144 HydrophobicContact CD2-CG2 4.22Å; Y137-T144 HydrophobicContact CE1-CG2 3.76Å; Y137-T144 HydrophobicContact CE2-CG2 4.27Å; Y137-T144 HydrophobicContact CG-CG2 3.94Å; T144-V146 WeakPolarHBondContact CB-O 3.3Å; T144-V146 PolarHBondContact O-N 2.72Å; T144-V146 PolarHBondContact OG1-O 3.03Å; T144-V146 VanDerWaalsContact OG1-O 3.07Å; T144-T149 VanDerWaalsContact CB-O 3.3Å; T144-T149 WeakPolarHBondContact CB-O 3.34Å; T144-T149 VanDerWaalsContact CG2-O 3.28Å; T144-T149 WeakPolarHBondContact CG2-O 3.47Å; T144-D151 WeakPolarHBondContact CA-OD2 3.47Å; T144-F158 HydrophobicContact CG2-CE1 4.11Å; T144-F158 HydrophobicContact CG2-CZ 3.96Å
145K96.7Very high95.3Very high185 Ų18564.6 Ų64.680%0.80434%0.341SS*.SBendtrans-62.5-35.5178.5-65.3171.3-177.9177.30112.4D151K145-D151 VanDerWaalsContact CB-OD1 3.26Å; K145-D151 WeakPolarHBondContact CB-OD1 3.37Å; K145-D151 PolarHBondContact N-OD1 3.07Å; K145-D151 PolarHBondContact N-OD2 2.82Å; K145-D151 VanDerWaalsContact N-OD2 3.1Å
146V97.4Very high95.6Very high92 Ų9270.8 Ų70.856%0.55837%0.37SS*.BIsolated β-bridgetrans-118122.9171.6178.80000107.2T144 G148 T149T144-V146 WeakPolarHBondContact CB-O 3.3Å; T144-V146 PolarHBondContact O-N 2.72Å; T144-V146 PolarHBondContact OG1-O 3.03Å; T144-V146 VanDerWaalsContact OG1-O 3.07Å; V146-G148 PolarHBondContact O-N 3.25Å; V146-T149 PolarHBondContact O-N 3.37Å
147E96.1Very high95.8Very high186 Ų18676 Ų7687%0.86939%0.392SS*.THydrogen-bonded Turntrans-51.2130.6-178.6-171.6175.6-174.400111.4T149E147-T149 PolarHBondContact O-N 3.45Å
148G95Very high95.9Very high33 Ų3377.8 Ų77.834%0.3440%0.4SS..THydrogen-bonded Turntrans68.618.3179.400000114.5V146 H156V146-G148 PolarHBondContact O-N 3.25Å; G148-H156 WeakPolarHBondContact O-CA 3.25Å; G148-H156 PolarHBondContact O-ND1 2.89Å
149T98.1Very high95.9Very high33 Ų3380.7 Ų80.720%0.20241%0.411CS..BIsolated β-bridgetrans-131.2125.5177.1-54.70000111T144 V146 E147 D151 H156T144-T149 VanDerWaalsContact CB-O 3.3Å; T144-T149 WeakPolarHBondContact CB-O 3.34Å; T144-T149 VanDerWaalsContact CG2-O 3.28Å; T144-T149 WeakPolarHBondContact CG2-O 3.47Å; V146-T149 PolarHBondContact O-N 3.37Å; E147-T149 PolarHBondContact O-N 3.45Å; T149-D151 PolarHBondContact O-N 3.33Å; T149-H156 PolarHBondContact OG1-CE1 3.48Å; T149-H156 PolarHBondContact OG1-ND1 3.39Å
150C98Very high95.9Very high2 Ų277.4 Ų77.41%0.01440%0.398CS..  trans-70.5121.4179.7177.20000110.2C130 C133 Y137 R152 C153 G154 G155 F158C130-C150 HydrophobicContact CB-CB 3.97Å; C130-C150 VanDerWaalsContact SG-CB 3.57Å; C130-C150 VanDerWaalsContact SG-SG 3.63Å; C133-C150 PolarHBondContact SG-SG 3.37Å; Y137-C150 PolarHBondContact OH-SG 2.91Å; C150-R152 PolarHBondContact O-N 3.46Å; C150-R152 VanDerWaalsContact O-N 3.11Å; C150-R152 PolarHBondContact SG-N 2.66Å; C150-C153 PolarHBondContact O-N 3.19Å; C150-G154 VanDerWaalsContact O-CA 3.32Å; C150-G154 WeakPolarHBondContact O-CA 3.36Å; C150-G154 PolarHBondContact O-N 3.29Å; C150-G155 VanDerWaalsContact CB-O 3.29Å; C150-G155 WeakPolarHBondContact CB-O 3.2Å; C150-G155 PolarHBondContact N-O 2.68Å; C150-F158 HydrophobicContact CB-CE1 4.21Å; C150-F158 HydrophobicContact CB-CZ 4.03Å
151D96.2Very high96Very high68 Ų6873.4 Ų73.436%0.36438%0.376SS..THydrogen-bonded Turntrans-62.3-20179.5-60.4-35.1000113.5Y137 T144 K145 T149Y137-D151 HydrophobicContact CE1-CB 4.35Å; Y137-D151 WeakPolarHBondContact CE1-OD2 3.33Å; Y137-D151 PolarHBondContact OH-N 2.84Å; T144-D151 WeakPolarHBondContact CA-OD2 3.47Å; K145-D151 VanDerWaalsContact CB-OD1 3.26Å; K145-D151 WeakPolarHBondContact CB-OD1 3.37Å; K145-D151 PolarHBondContact N-OD1 3.07Å; K145-D151 PolarHBondContact N-OD2 2.82Å; K145-D151 VanDerWaalsContact N-OD2 3.1Å; T149-D151 PolarHBondContact O-N 3.33Å
152R93.7Very high96Very high126 Ų12673.9 Ų73.948%0.47538%0.379SS..THydrogen-bonded Turntrans-89.4-44.4-178.3-170.6178.7-50.8170.311.2113.7E18 A135 C150E18-R152 IonicContact OE1-CZ 2.77Å; E18-R152 IonicContact OE1-NH1 2.79Å; E18-R152 PolarHBondContact OE1-NH1 3.45Å; E18-R152 IonicContact OE1-NH2 2.62Å; E18-R152 PolarHBondContact OE1-NH2 2.73Å; E18-R152 IonicContact OE2-CZ 3.92Å; E18-R152 IonicContact OE2-NH2 3Å; E18-R152 PolarHBondContact OE2-NH2 3.21Å; A135-R152 HydrophobicContact CB-CB 4.2Å; A135-R152 VanDerWaalsContact CB-NH2 3.28Å; C150-R152 PolarHBondContact O-N 3.46Å; C150-R152 VanDerWaalsContact O-N 3.11Å; C150-R152 PolarHBondContact SG-N 2.66Å
153C96.5Very high95.9Very high50 Ų5072.2 Ų72.234%0.33837%0.371SS..THydrogen-bonded Turntrans-127.9-0-170.773.60000114.6N132 C133 C150 G155N132-C153 PolarHBondContact ND2-SG 3.21Å; C133-C153 HydrophobicContact CB-CB 3.95Å; C133-C153 PolarHBondContact SG-SG 3.44Å; C150-C153 PolarHBondContact O-N 3.19Å; C153-G155 PolarHBondContact O-N 3.19Å; C153-G155 PolarHBondContact SG-N 3.31Å
154G97.3Very high95.7Very high37 Ų3768.9 Ų68.938%0.38135%0.349SS..  trans70.13.9-176.500000114.9C150 H156C150-G154 VanDerWaalsContact O-CA 3.32Å; C150-G154 WeakPolarHBondContact O-CA 3.36Å; C150-G154 PolarHBondContact O-N 3.29Å; G154-H156 PolarHBondContact O-NE2 3.01Å
155G97.3Very high95.4Very high14 Ų1471.2 Ų71.214%0.14436%0.357CS..  trans-66.7148177.500000112.7C150 C153C150-G155 VanDerWaalsContact CB-O 3.29Å; C150-G155 WeakPolarHBondContact CB-O 3.2Å; C150-G155 PolarHBondContact N-O 2.68Å; C153-G155 PolarHBondContact O-N 3.19Å; C153-G155 PolarHBondContact SG-N 3.31Å
156H97.9Very high95Very high131 Ų13166.7 Ų66.761%0.60635%0.347SS*.  trans-109.4-1.9-175.9-59.3-68.6000114.2G148 T149 G154G148-H156 WeakPolarHBondContact O-CA 3.25Å; G148-H156 PolarHBondContact O-ND1 2.89Å; T149-H156 PolarHBondContact OG1-CE1 3.48Å; T149-H156 PolarHBondContact OG1-ND1 3.39Å; G154-H156 PolarHBondContact O-NE2 3.01Å
157E97.6Very high94.5Very high130 Ų13068.7 Ų68.761%0.60735%0.35SS*.  trans-99127.1178.5-66.1-173.9174.400110.7R131R131-E157 HydrophobicContact CB-CB 3.92Å; R131-E157 WeakPolarHBondContact CB-O 3.44Å; R131-E157 WeakPolarHBondContact CD-OE2 3.49Å; R131-E157 PolarHBondContact N-O 2.83Å
158F97.6Very high94.3Very high50 Ų5060.6 Ų60.622%0.21931%0.313CS..EExtended strand (participates in β ladder)trans-126160.8178.9-61.5-91.8000111F128 M129 C130 Y137 T144 C150F128-F158 HydrophobicContact CD2-CB 4.03Å; F128-F158 AromaticContact CD2-CD1 3.53Å; F128-F158 HydrophobicContact CD2-CD1 3.53Å; F128-F158 HydrophobicContact CD2-CE1 4.21Å; F128-F158 AromaticContact CD2-CG 3.95Å; F128-F158 HydrophobicContact CD2-CG 3.95Å; F128-F158 AromaticContact CE2-CD1 3.72Å; F128-F158 HydrophobicContact CE2-CD1 3.72Å; F128-F158 AromaticContact CE2-CE1 3.95Å; F128-F158 HydrophobicContact CE2-CE1 3.95Å; F128-F158 HydrophobicContact CE2-CG 4.24Å; M129-F158 CarbonylContact O-C 3.6Å; M129-F158 WeakPolarHBondContact O-CA 3.39Å; C130-F158 HydrophobicContact CB-CD1 4.22Å; C130-F158 HydrophobicContact CB-CE1 4.06Å; Y137-F158 HydrophobicContact CD2-CD1 4.43Å; Y137-F158 AromaticContact CD2-CE1 3.93Å; Y137-F158 HydrophobicContact CD2-CE1 3.93Å; Y137-F158 AromaticContact CE2-CE1 3.94Å; Y137-F158 HydrophobicContact CE2-CE1 3.94Å; T144-F158 HydrophobicContact CG2-CE1 4.11Å; T144-F158 HydrophobicContact CG2-CZ 3.96Å; C150-F158 HydrophobicContact CB-CE1 4.21Å; C150-F158 HydrophobicContact CB-CZ 4.03Å
159Y95.4Very high94.1Very high74 Ų7459.1 Ų59.129%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-150.2160.1176.374.6-74.7000111.3F128 M129 R131 R161F128-Y159 CarbonylContact C-O 3.55Å; F128-Y159 WeakPolarHBondContact CA-O 3.47Å; M129-Y159 HydrophobicContact CB-CD1 4.22Å; M129-Y159 HydrophobicContact CB-CE1 3.7Å; M129-Y159 PolarHBondContact N-O 2.94Å; M129-Y159 WeakPolarHBondContact O-CD1 3.13Å; M129-Y159 PolarHBondContact O-N 3.35Å; M129-Y159 HydrophobicContact SD-CE2 4.47Å; R131-Y159 HydrophobicContact CB-CD1 4.07Å; R131-Y159 HydrophobicContact CG-CD1 4.49Å; R131-Y159 VanDerWaalsContact NH2-CB 3.31Å; Y159-R161 HydrophobicContact CE2-CG 4.42Å
160Q94.7Very high93.8Very high75 Ų7565.7 Ų65.735%0.3532%0.324SS..  trans-103.7146.2169.7-174.4167.127.500108.8A125 D164A125-Q160 PolarHBondContact O-NE2 3Å; Q160-D164 HydrophobicContact CG-CB 3.81Å
161R93Very high93.6Very high27 Ų2768.5 Ų68.510%0.10234%0.338CS..  trans-73146.3174.1-67157.3-179.7-175.1-1.6109.5D33 R36 R127 M129 Y159 D163 D164D33-R161 IonicContact OD1-NH2 3.87Å; D33-R161 PolarHBondContact OD1-NH2 2.94Å; R36-R161 VanDerWaalsContact CZ-CZ 3.42Å; R127-R161 VanDerWaalsContact NH2-CD 3.29Å; R127-R161 VanDerWaalsContact NH2-NH1 3.1Å; M129-R161 HydrophobicContact CE-CG 4.41Å; M129-R161 HydrophobicContact SD-CG 3.62Å; Y159-R161 HydrophobicContact CE2-CG 4.42Å; R161-D163 WeakPolarHBondContact CB-OD1 3.49Å; R161-D163 PolarHBondContact O-N 2.89Å; R161-D164 HydrophobicContact CB-CB 4.4Å; R161-D164 WeakPolarHBondContact O-CB 3.21Å; R161-D164 PolarHBondContact O-N 3.27Å
162E91.4Very high93.5Very high100 Ų10065.9 Ų65.947%0.46732%0.323SS..G310 helixtrans-59.1-36.1175.8-64.9-64116.500111.5D164 K165E162-D164 PolarHBondContact O-N 3.46Å; E162-K165 VanDerWaalsContact CD-NZ 3.27Å; E162-K165 WeakPolarHBondContact O-CB 3.33Å; E162-K165 WeakPolarHBondContact O-CG 3.2Å; E162-K165 PolarHBondContact O-N 2.95Å; E162-K165 WeakPolarHBondContact OE1-CE 3.48Å; E162-K165 IonicContact OE1-NZ 3.25Å; E162-K165 PolarHBondContact OE1-NZ 3.38Å; E162-K165 WeakPolarHBondContact OE2-CE 3.43Å; E162-K165 IonicContact OE2-NZ 2.61Å; E162-K165 PolarHBondContact OE2-NZ 3.3Å
163D91Very high93.5Very high14 Ų1460.4 Ų60.48%0.07530%0.304CS..G310 helixtrans-762.1177.174.4-9.4000115R161 T168 R172R161-D163 WeakPolarHBondContact CB-OD1 3.49Å; R161-D163 PolarHBondContact O-N 2.89Å; D163-T168 HydrophobicContact CB-CG2 4.21Å; D163-R172 VanDerWaalsContact CG-CZ 3.43Å; D163-R172 PolarHBondContact O-NH1 2.89Å; D163-R172 IonicContact OD1-CZ 2.75Å; D163-R172 IonicContact OD1-NH1 3.73Å; D163-R172 PolarHBondContact OD1-NH1 2.81Å; D163-R172 VanDerWaalsContact OD1-NH1 3.11Å; D163-R172 IonicContact OD1-NH2 3.22Å; D163-R172 IonicContact OD2-CZ 3.17Å; D163-R172 IonicContact OD2-NE 3.22Å; D163-R172 IonicContact OD2-NH1 2.78Å; D163-R172 PolarHBondContact OD2-NH1 3.04Å; D163-R172 IonicContact OD2-NH2 2.66Å; D163-R172 PolarHBondContact OD2-NH2 2.72Å
164D92.5Very high93.4Very high0 Ų061.5 Ų61.50%031%0.312CS..G310 helixtrans-100.7-2.1172-69.9-24.2000113L124 R127 Q160 R161 E162 V169 R172L124-D164 WeakPolarHBondContact CD2-OD1 3.42Å; R127-D164 IonicContact CZ-OD1 3.72Å; R127-D164 IonicContact CZ-OD2 2.56Å; R127-D164 IonicContact NE-OD1 3.11Å; R127-D164 IonicContact NE-OD2 2.8Å; R127-D164 PolarHBondContact NE-OD2 3.45Å; R127-D164 IonicContact NH2-OD1 3.71Å; R127-D164 PolarHBondContact NH2-OD1 3.04Å; R127-D164 IonicContact NH2-OD2 3.5Å; R127-D164 PolarHBondContact NH2-OD2 2.85Å; Q160-D164 HydrophobicContact CG-CB 3.81Å; R161-D164 HydrophobicContact CB-CB 4.4Å; R161-D164 WeakPolarHBondContact O-CB 3.21Å; R161-D164 PolarHBondContact O-N 3.27Å; E162-D164 PolarHBondContact O-N 3.46Å; D164-V169 WeakPolarHBondContact O-CG2 3.37Å; D164-R172 IonicContact OD1-NH1 3.02Å; D164-R172 PolarHBondContact OD1-NH1 2.82Å
165K90.5Very high93.3Very high68 Ų6860.9 Ų60.930%0.29630%0.301SS..SBendtrans-69.6142.2175.1-65179175.8174.10110.6E162 E167 T168 V169E162-K165 VanDerWaalsContact CD-NZ 3.27Å; E162-K165 WeakPolarHBondContact O-CB 3.33Å; E162-K165 WeakPolarHBondContact O-CG 3.2Å; E162-K165 PolarHBondContact O-N 2.95Å; E162-K165 WeakPolarHBondContact OE1-CE 3.48Å; E162-K165 IonicContact OE1-NZ 3.25Å; E162-K165 PolarHBondContact OE1-NZ 3.38Å; E162-K165 WeakPolarHBondContact OE2-CE 3.43Å; E162-K165 IonicContact OE2-NZ 2.61Å; E162-K165 PolarHBondContact OE2-NZ 3.3Å; K165-E167 VanDerWaalsContact CB-CD 3.48Å; K165-E167 HydrophobicContact CB-CG 4.42Å; K165-E167 WeakPolarHBondContact CB-OE1 3.49Å; K165-E167 WeakPolarHBondContact CB-OE2 3.5Å; K165-E167 WeakPolarHBondContact CD-OE1 3.45Å; K165-E167 PolarHBondContact O-N 3.33Å; K165-E167 VanDerWaalsContact O-N 3.09Å; K165-T168 PolarHBondContact O-N 2.87Å; K165-V169 VanDerWaalsContact O-CG2 3.32Å; K165-V169 WeakPolarHBondContact O-CG2 3.39Å; K165-V169 PolarHBondContact O-N 2.97Å
166P87.4Confident93.2Very high91 Ų9160.9 Ų60.959%0.59130%0.297SS*.Hα-helixtrans-51.1-38.5-174.2-29.435.9000114.8T168P166-T168 VanDerWaalsContact C-N 3.34Å; P166-T168 PolarHBondContact O-N 3.13Å
167E87.7Confident93Very high133 Ų13357.1 Ų57.162%0.62128%0.283SS*.Hα-helixtrans-62.5-36.9178.762.3-85.4-159.100113.1K165K165-E167 VanDerWaalsContact CB-CD 3.48Å; K165-E167 HydrophobicContact CB-CG 4.42Å; K165-E167 WeakPolarHBondContact CB-OE1 3.49Å; K165-E167 WeakPolarHBondContact CB-OE2 3.5Å; K165-E167 WeakPolarHBondContact CD-OE1 3.45Å; K165-E167 PolarHBondContact O-N 3.33Å; K165-E167 VanDerWaalsContact O-N 3.09Å
168T91.1Very high92.8Very high16 Ų1658.8 Ų58.810%0.09829%0.289CS..Hα-helixtrans-88.1-31.9-179.1-54.10000111.7D54 D163 K165 P166 K170 N171 R172D54-T168 VanDerWaalsContact O-CG2 3.31Å; D54-T168 WeakPolarHBondContact O-CG2 3.5Å; D54-T168 PolarHBondContact O-OG1 2.99Å; D163-T168 HydrophobicContact CB-CG2 4.21Å; K165-T168 PolarHBondContact O-N 2.87Å; P166-T168 VanDerWaalsContact C-N 3.34Å; P166-T168 PolarHBondContact O-N 3.13Å; T168-K170 VanDerWaalsContact C-N 3.26Å; T168-K170 PolarHBondContact O-N 3.27Å; T168-N171 PolarHBondContact O-N 3.25Å; T168-R172 VanDerWaalsContact O-CB 3.3Å; T168-R172 WeakPolarHBondContact O-CB 3.16Å; T168-R172 PolarHBondContact O-N 3.31Å
169V92.2Very high92.7Very high2 Ų258.6 Ų58.61%0.01229%0.29CS..Hα-helixtrans-55-41.5-179.2163.90000111.8V121 L124 D164 K165 R172 L173V121-V169 HydrophobicContact CG1-CG1 4.33Å; V121-V169 HydrophobicContact CG2-CG1 4.22Å; L124-V169 HydrophobicContact CB-CG1 4.36Å; L124-V169 HydrophobicContact CB-CG2 3.87Å; L124-V169 HydrophobicContact CD1-CB 4.41Å; L124-V169 HydrophobicContact CD1-CG1 3.62Å; L124-V169 HydrophobicContact CD1-CG2 4.04Å; D164-V169 WeakPolarHBondContact O-CG2 3.37Å; K165-V169 VanDerWaalsContact O-CG2 3.32Å; K165-V169 WeakPolarHBondContact O-CG2 3.39Å; K165-V169 PolarHBondContact O-N 2.97Å; V169-R172 PolarHBondContact O-N 2.94Å; V169-L173 HydrophobicContact CG1-CD1 3.87Å; V169-L173 HydrophobicContact CG1-CG 4.28Å; V169-L173 WeakPolarHBondContact O-CB 3.24Å; V169-L173 WeakPolarHBondContact O-CG 3.34Å; V169-L173 PolarHBondContact O-N 3.06Å
170K91.2Very high92.7Very high172 Ų17255.9 Ų55.975%0.74828%0.282SS*.Hα-helixtrans-61.9-48.5179.6-174179.5179.5-179.90112.3T168 R172 S174T168-K170 VanDerWaalsContact C-N 3.26Å; T168-K170 PolarHBondContact O-N 3.27Å; K170-R172 VanDerWaalsContact C-N 3.34Å; K170-S174 WeakPolarHBondContact O-CB 3.34Å; K170-S174 PolarHBondContact O-N 3.27Å; K170-S174 VanDerWaalsContact O-N 3.08Å
171N94.3Very high92.7Very high60 Ų6059.5 Ų59.532%0.32130%0.299SS..Hα-helixtrans-64.3-45.1177.6-173.448.7000110.4A55 D57 T168 L173 S174 V175A55-N171 PolarHBondContact O-ND2 3.01Å; D57-N171 PolarHBondContact OD1-ND2 3.3Å; T168-N171 PolarHBondContact O-N 3.25Å; N171-L173 PolarHBondContact O-N 2.95Å; N171-S174 WeakPolarHBondContact O-CB 3.49Å; N171-S174 PolarHBondContact O-N 3.19Å; N171-V175 WeakPolarHBondContact O-CB 3.28Å; N171-V175 WeakPolarHBondContact O-CG2 3.42Å; N171-V175 PolarHBondContact O-N 3.47Å
172R93.7Very high92.9Very high13 Ų1361 Ų615%0.04931%0.312CS..Hα-helixtrans-55.9-48.3178.8-170-168.8-179.1162.916.4112.3P9 G56 D163 D164 T168 V169 K170 N176P9-R172 HydrophobicContact CB-CG 4.32Å; P9-R172 HydrophobicContact CG-CG 3.9Å; G56-R172 WeakPolarHBondContact O-CA 3.49Å; D163-R172 VanDerWaalsContact CG-CZ 3.43Å; D163-R172 PolarHBondContact O-NH1 2.89Å; D163-R172 IonicContact OD1-CZ 2.75Å; D163-R172 IonicContact OD1-NH1 3.73Å; D163-R172 PolarHBondContact OD1-NH1 2.81Å; D163-R172 VanDerWaalsContact OD1-NH1 3.11Å; D163-R172 IonicContact OD1-NH2 3.22Å; D163-R172 IonicContact OD2-CZ 3.17Å; D163-R172 IonicContact OD2-NE 3.22Å; D163-R172 IonicContact OD2-NH1 2.78Å; D163-R172 PolarHBondContact OD2-NH1 3.04Å; D163-R172 IonicContact OD2-NH2 2.66Å; D163-R172 PolarHBondContact OD2-NH2 2.72Å; D164-R172 IonicContact OD1-NH1 3.02Å; D164-R172 PolarHBondContact OD1-NH1 2.82Å; T168-R172 VanDerWaalsContact O-CB 3.3Å; T168-R172 WeakPolarHBondContact O-CB 3.16Å; T168-R172 PolarHBondContact O-N 3.31Å; V169-R172 PolarHBondContact O-N 2.94Å; K170-R172 VanDerWaalsContact C-N 3.34Å; R172-N176 WeakPolarHBondContact O-CB 3.16Å; R172-N176 PolarHBondContact O-N 2.87Å; R172-N176 VanDerWaalsContact O-N 3.08Å; R172-N176 PolarHBondContact O-ND2 3.09Å
173L93.9Very high93.2Very high11 Ų1156.2 Ų56.26%0.05829%0.29CS..Hα-helixtrans-62.6-50176.4-72.3174.7000111L8 P9 L120 V121 L124 V169 N171 V175 N176 V177L8-L173 HydrophobicContact CB-CD2 4.45Å; P9-L173 HydrophobicContact CB-CD2 4.14Å; P9-L173 HydrophobicContact CG-CD2 4.28Å; L120-L173 HydrophobicContact CB-CD1 4.25Å; L120-L173 HydrophobicContact CB-CD2 4.07Å; L120-L173 HydrophobicContact CD1-CD2 3.71Å; V121-L173 HydrophobicContact CG2-CD1 3.69Å; L124-L173 HydrophobicContact CD1-CD2 4.22Å; L124-L173 HydrophobicContact CD1-CG 4.35Å; V169-L173 HydrophobicContact CG1-CD1 3.87Å; V169-L173 HydrophobicContact CG1-CG 4.28Å; V169-L173 WeakPolarHBondContact O-CB 3.24Å; V169-L173 WeakPolarHBondContact O-CG 3.34Å; V169-L173 PolarHBondContact O-N 3.06Å; N171-L173 PolarHBondContact O-N 2.95Å; L173-V175 PolarHBondContact O-N 3.29Å; L173-N176 PolarHBondContact O-N 2.63Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-V177 PolarHBondContact O-N 3.05Å
174S94Very high93.6Very high74 Ų7456.9 Ų56.952%0.51729%0.293SS..Hα-helixtrans-53.8-48.4178.31780000113K170 N171 N176 V177 K178K170-S174 WeakPolarHBondContact O-CB 3.34Å; K170-S174 PolarHBondContact O-N 3.27Å; K170-S174 VanDerWaalsContact O-N 3.08Å; N171-S174 WeakPolarHBondContact O-CB 3.49Å; N171-S174 PolarHBondContact O-N 3.19Å; S174-N176 VanDerWaalsContact C-N 3.34Å; S174-N176 PolarHBondContact O-N 3.46Å; S174-V177 PolarHBondContact O-N 3.05Å; S174-K178 WeakPolarHBondContact O-CB 3.47Å; S174-K178 PolarHBondContact O-N 2.84Å
175V94.8Very high93.8Very high23 Ų2359 Ų5914%0.13931%0.311CS..Hα-helixtrans-62.1-41.5177171.20000111.1L58 N171 L173 N179L58-V175 HydrophobicContact CD1-CG1 4.24Å; L58-V175 HydrophobicContact CD2-CG1 4.11Å; L58-V175 HydrophobicContact CG-CG1 3.71Å; N171-V175 WeakPolarHBondContact O-CB 3.28Å; N171-V175 WeakPolarHBondContact O-CG2 3.42Å; N171-V175 PolarHBondContact O-N 3.47Å; L173-V175 PolarHBondContact O-N 3.29Å; V175-N179 PolarHBondContact O-N 3.49Å; V175-N179 PolarHBondContact O-ND2 3.09Å
176N94.4Very high94.2Very high14 Ų1458.3 Ų58.38%0.07531%0.306CS..Hα-helixtrans-69.8-44.3179.8-81-103.8000111.7L8 P9 R172 L173 S174 K178 N179 S180L8-N176 HydrophobicContact CD2-CB 3.81Å; P9-N176 HydrophobicContact CG-CB 4.12Å; R172-N176 WeakPolarHBondContact O-CB 3.16Å; R172-N176 PolarHBondContact O-N 2.87Å; R172-N176 VanDerWaalsContact O-N 3.08Å; R172-N176 PolarHBondContact O-ND2 3.09Å; L173-N176 PolarHBondContact O-N 2.63Å; S174-N176 VanDerWaalsContact C-N 3.34Å; S174-N176 PolarHBondContact O-N 3.46Å; N176-K178 PolarHBondContact O-N 3.27Å; N176-N179 PolarHBondContact O-N 3.31Å; N176-S180 VanDerWaalsContact O-CB 3.28Å; N176-S180 WeakPolarHBondContact O-CB 3.45Å; N176-S180 PolarHBondContact O-N 2.99Å; N176-S180 PolarHBondContact O-OG 2.72Å
177V94Very high94.7Very high52 Ų5254.3 Ų54.332%0.31528%0.28SS..Hα-helixtrans-57-51.6177.6170.90000110.2L8 E117 L173 S174 N179 S180L8-V177 HydrophobicContact CD1-CG2 3.85Å; L8-V177 HydrophobicContact CD2-CG2 3.77Å; L8-V177 HydrophobicContact CG-CG2 4.5Å; E117-V177 VanDerWaalsContact OE1-CG2 3.31Å; E117-V177 WeakPolarHBondContact OE1-CG2 2.99Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-V177 PolarHBondContact O-N 3.05Å; S174-V177 PolarHBondContact O-N 3.05Å; V177-N179 PolarHBondContact O-N 3.39Å; V177-S180 PolarHBondContact O-N 3.49Å
178K94.9Very high95.2Very high165 Ų16552.9 Ų52.972%0.71728%0.276SS*.Hα-helixtrans-56.6-36.6-179.5-178-179.1176.2-174.90113.5S174 N176S174-K178 WeakPolarHBondContact O-CB 3.47Å; S174-K178 PolarHBondContact O-N 2.84Å; N176-K178 PolarHBondContact O-N 3.27Å
179N95.4Very high95.5Very high46 Ų4659.8 Ų59.825%0.24631%0.308CS..Hα-helixtrans-95.2-17.4-175.9-69.6-78000113.8R88 V175 N176 V177 I183R88-N179 WeakPolarHBondContact O-CB 3.41Å; V175-N179 PolarHBondContact O-N 3.49Å; V175-N179 PolarHBondContact O-ND2 3.09Å; N176-N179 PolarHBondContact O-N 3.31Å; V177-N179 PolarHBondContact O-N 3.39Å; N179-I183 WeakPolarHBondContact O-CD1 3.38Å; N179-I183 WeakPolarHBondContact O-CG1 3.45Å
180S94.4Very high95.7Very high18 Ų1865.4 Ų65.413%0.12633%0.334CS..Hα-helixtrans-72.3-43-176.3-63.90000111.8N176 V177 I183 L184N176-S180 VanDerWaalsContact O-CB 3.28Å; N176-S180 WeakPolarHBondContact O-CB 3.45Å; N176-S180 PolarHBondContact O-N 2.99Å; N176-S180 PolarHBondContact O-OG 2.72Å; V177-S180 PolarHBondContact O-N 3.49Å; S180-I183 WeakPolarHBondContact O-CB 3.27Å; S180-I183 PolarHBondContact O-N 3.08Å; S180-L184 VanDerWaalsContact O-CG 3.29Å; S180-L184 WeakPolarHBondContact O-CG 3.24Å; S180-L184 PolarHBondContact O-N 2.99Å
181E95Very high96.1Very high151 Ų15159.7 Ų59.771%0.70632%0.323SS*.Hα-helixtrans-54.9-49.1-175.3177.4-174.2-177.600113.3I183 L184 A185E181-I183 VanDerWaalsContact C-N 3.28Å; E181-I183 PolarHBondContact O-N 2.77Å; E181-L184 PolarHBondContact O-N 3.09Å; E181-A185 WeakPolarHBondContact O-CB 3.13Å; E181-A185 PolarHBondContact O-N 2.7Å
182P97.5Very high96.2Very high57 Ų5758.7 Ų58.737%0.3732%0.318SS..Hα-helixtrans-61.6-32.4176.7-24.934.9000114.5L90 Y186L90-P182 HydrophobicContact CB-CB 4.39Å; P182-Y186 WeakPolarHBondContact O-CB 3.43Å; P182-Y186 PolarHBondContact O-N 2.56Å; P182-Y186 VanDerWaalsContact O-N 3.12Å
183I98.1Very high96.5Very high1 Ų159.3 Ų59.31%0.00532%0.322CS..Hα-helixtrans-75.1-43.6-179.3-58.6166.3000110.2M6 P87 A93 N179 S180 E181 A185 Y186 Y187M6-I183 HydrophobicContact CE-CB 3.95Å; M6-I183 HydrophobicContact CE-CD1 4.28Å; M6-I183 HydrophobicContact CE-CG2 3.49Å; M6-I183 VanDerWaalsContact CE-CG2 3.49Å; M6-I183 HydrophobicContact SD-CG2 3.7Å; P87-I183 HydrophobicContact CG-CG2 3.89Å; A93-I183 HydrophobicContact CB-CG2 4.4Å; N179-I183 WeakPolarHBondContact O-CD1 3.38Å; N179-I183 WeakPolarHBondContact O-CG1 3.45Å; S180-I183 WeakPolarHBondContact O-CB 3.27Å; S180-I183 PolarHBondContact O-N 3.08Å; E181-I183 VanDerWaalsContact C-N 3.28Å; E181-I183 PolarHBondContact O-N 2.77Å; I183-A185 VanDerWaalsContact C-N 3.35Å; I183-Y186 WeakPolarHBondContact O-CB 3.49Å; I183-Y186 PolarHBondContact O-N 2.8Å; I183-Y187 HydrophobicContact CG2-CD2 3.75Å; I183-Y187 HydrophobicContact CG2-CE2 3.63Å; I183-Y187 WeakPolarHBondContact O-CD2 3.22Å; I183-Y187 PolarHBondContact O-N 2.75Å
184L97.8Very high96.7Very high27 Ų2761.9 Ų61.914%0.14133%0.331CS..Hα-helixtrans-63-44.2177.1-64.8170.1000110.3M6 E112 S180 E181 Y186 Y187 N188 L193M6-L184 HydrophobicContact CE-CD2 4.09Å; M6-L184 HydrophobicContact CE-CG 4.43Å; M6-L184 HydrophobicContact SD-CD2 3.92Å; E112-L184 HydrophobicContact CB-CD2 4.09Å; E112-L184 HydrophobicContact CG-CD2 3.84Å; E112-L184 WeakPolarHBondContact OE1-CD1 3.32Å; S180-L184 VanDerWaalsContact O-CG 3.29Å; S180-L184 WeakPolarHBondContact O-CG 3.24Å; S180-L184 PolarHBondContact O-N 2.99Å; E181-L184 PolarHBondContact O-N 3.09Å; L184-Y186 VanDerWaalsContact C-N 3.34Å; L184-Y186 PolarHBondContact O-N 3.11Å; L184-Y187 PolarHBondContact O-N 3.22Å; L184-N188 WeakPolarHBondContact O-CB 3.46Å; L184-N188 PolarHBondContact O-N 2.94Å; L184-L193 HydrophobicContact CB-CD2 4.17Å; L184-L193 HydrophobicContact CD2-CD1 3.69Å; L184-L193 HydrophobicContact CD2-CD2 4.27Å
185A98.1Very high96.9Very high45 Ų4561.9 Ų61.937%0.37233%0.33SS..Hα-helixtrans-57.1-47.7174.100000111.6E181 I183 Y187 N188 E189E181-A185 WeakPolarHBondContact O-CB 3.13Å; E181-A185 PolarHBondContact O-N 2.7Å; I183-A185 VanDerWaalsContact C-N 3.35Å; A185-Y187 PolarHBondContact O-N 2.76Å; A185-N188 PolarHBondContact O-N 3.36Å; A185-E189 WeakPolarHBondContact O-CG 3.44Å; A185-E189 PolarHBondContact O-N 3.29Å
186Y98.5Very high97Very high53 Ų5361 Ų6121%0.20832%0.324CS..Hα-helixtrans-56.5-50.4177.2173.6-106.6000112.7L90 A93 P182 I183 L184 N188 E189 E190L90-Y186 HydrophobicContact CD1-CD2 4.36Å; L90-Y186 HydrophobicContact CD1-CG 4.03Å; A93-Y186 HydrophobicContact CB-CD1 3.99Å; A93-Y186 HydrophobicContact CB-CE1 4.12Å; P182-Y186 WeakPolarHBondContact O-CB 3.43Å; P182-Y186 PolarHBondContact O-N 2.56Å; P182-Y186 VanDerWaalsContact O-N 3.12Å; I183-Y186 WeakPolarHBondContact O-CB 3.49Å; I183-Y186 PolarHBondContact O-N 2.8Å; L184-Y186 VanDerWaalsContact C-N 3.34Å; L184-Y186 PolarHBondContact O-N 3.11Å; Y186-N188 VanDerWaalsContact C-N 3.34Å; Y186-N188 PolarHBondContact O-N 3.04Å; Y186-E189 PolarHBondContact O-N 3.17Å; Y186-E190 WeakPolarHBondContact O-CG 3.4Å; Y186-E190 PolarHBondContact O-N 3.38Å
187Y98.3Very high97.2Very high8 Ų864 Ų643%0.03134%0.34CS..Hα-helixtrans-73.9-24.1179.3-72.4-60.6000114.1I4 M6 P87 A93 V110 I183 L184 A185 G191 L192 L193I4-Y187 HydrophobicContact CD1-CE1 4.11Å; I4-Y187 HydrophobicContact CD1-CE2 3.99Å; I4-Y187 VanDerWaalsContact CD1-OH 3.27Å; I4-Y187 WeakPolarHBondContact CD1-OH 2.92Å; M6-Y187 HydrophobicContact SD-CD2 4.35Å; P87-Y187 HydrophobicContact CG-CE2 3.85Å; A93-Y187 HydrophobicContact CB-CE2 4.26Å; V110-Y187 HydrophobicContact CB-CD2 4.46Å; V110-Y187 HydrophobicContact CB-CG 4.25Å; V110-Y187 HydrophobicContact CG1-CD2 4.04Å; V110-Y187 HydrophobicContact CG1-CG 4.3Å; V110-Y187 HydrophobicContact CG2-CD1 3.6Å; V110-Y187 HydrophobicContact CG2-CD2 3.92Å; V110-Y187 HydrophobicContact CG2-CE1 3.98Å; V110-Y187 HydrophobicContact CG2-CE2 4.26Å; V110-Y187 HydrophobicContact CG2-CG 3.58Å; I183-Y187 HydrophobicContact CG2-CD2 3.75Å; I183-Y187 HydrophobicContact CG2-CE2 3.63Å; I183-Y187 WeakPolarHBondContact O-CD2 3.22Å; I183-Y187 PolarHBondContact O-N 2.75Å; L184-Y187 PolarHBondContact O-N 3.22Å; A185-Y187 PolarHBondContact O-N 2.76Å; Y187-G191 PolarHBondContact O-N 3.06Å; Y187-L192 HydrophobicContact CD1-CB 4.46Å; Y187-L192 HydrophobicContact CD1-CD1 4.25Å; Y187-L192 PolarHBondContact O-N 3.41Å; Y187-L193 PolarHBondContact O-N 3.42Å
188N98.1Very high97.3Very high103 Ų10361.7 Ų61.755%0.55133%0.327SS*.Hα-helixtrans-69.4-41.9172.8-175.270.2000111.4L184 A185 Y186 E190 G191 L193L184-N188 WeakPolarHBondContact O-CB 3.46Å; L184-N188 PolarHBondContact O-N 2.94Å; A185-N188 PolarHBondContact O-N 3.36Å; Y186-N188 VanDerWaalsContact C-N 3.34Å; Y186-N188 PolarHBondContact O-N 3.04Å; N188-E190 VanDerWaalsContact C-N 3.27Å; N188-E190 PolarHBondContact O-N 3.3Å; N188-G191 PolarHBondContact O-N 3.31Å; N188-L193 HydrophobicContact CB-CB 4.11Å; N188-L193 HydrophobicContact CB-CD2 3.87Å
189E97.9Very high97.3Very high161 Ų16157.7 Ų57.775%0.75231%0.314SS*.Hα-helixtrans-61.2-36.6174.4-73.7176.7-177.100112.1A185 Y186 G191A185-E189 WeakPolarHBondContact O-CG 3.44Å; A185-E189 PolarHBondContact O-N 3.29Å; Y186-E189 PolarHBondContact O-N 3.17Å; E189-G191 PolarHBondContact O-N 3.18Å
190E96.5Very high97.3Very high120 Ų12059.9 Ų59.956%0.56132%0.318SS*.THydrogen-bonded Turntrans-75.2-4.4174.3-65.1-66.1132.700113.7Y186 N188 L192Y186-E190 WeakPolarHBondContact O-CG 3.4Å; Y186-E190 PolarHBondContact O-N 3.38Å; N188-E190 VanDerWaalsContact C-N 3.27Å; N188-E190 PolarHBondContact O-N 3.3Å; E190-L192 VanDerWaalsContact C-N 3.25Å; E190-L192 HydrophobicContact CB-CD1 4Å; E190-L192 HydrophobicContact CB-CG 4.1Å; E190-L192 PolarHBondContact O-N 3.43Å
191G97.6Very high97.2Very high51 Ų5166.2 Ų66.253%0.52635%0.346SS..THydrogen-bonded Turntrans68.821.6-177.700000114.2Y187 N188 E189Y187-G191 PolarHBondContact O-N 3.06Å; N188-G191 PolarHBondContact O-N 3.31Å; E189-G191 PolarHBondContact O-N 3.18Å
192L98Very high97.2Very high39 Ų3961.1 Ų61.120%0.20432%0.323CS..  trans-102-11.9-176.9-65.5174000113.3I107 V110 Y187 E190 Y194I107-L192 HydrophobicContact CB-CD1 4.32Å; I107-L192 HydrophobicContact CG2-CD1 4.35Å; V110-L192 HydrophobicContact CG2-CB 4.22Å; V110-L192 PolarHBondContact N-O 3.03Å; Y187-L192 HydrophobicContact CD1-CB 4.46Å; Y187-L192 HydrophobicContact CD1-CD1 4.25Å; Y187-L192 PolarHBondContact O-N 3.41Å; E190-L192 VanDerWaalsContact C-N 3.25Å; E190-L192 HydrophobicContact CB-CD1 4Å; E190-L192 HydrophobicContact CB-CG 4.1Å; E190-L192 PolarHBondContact O-N 3.43Å; L192-Y194 WeakPolarHBondContact O-CD2 3.4Å; L192-Y194 VanDerWaalsContact O-CE2 3.28Å; L192-Y194 WeakPolarHBondContact O-CE2 3.33Å
193L98.6Very high97.1Very high26 Ų2663.1 Ų63.114%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-82.6129.5-175.7-175.266.8000112.9V110 E112 L184 Y187 N188V110-L193 HydrophobicContact CB-CD1 4.38Å; V110-L193 HydrophobicContact CG1-CD1 3.99Å; V110-L193 CarbonylContact O-C 3.54Å; V110-L193 WeakPolarHBondContact O-CA 3.38Å; E112-L193 HydrophobicContact CB-CD1 3.97Å; L184-L193 HydrophobicContact CB-CD2 4.17Å; L184-L193 HydrophobicContact CD2-CD1 3.69Å; L184-L193 HydrophobicContact CD2-CD2 4.27Å; Y187-L193 PolarHBondContact O-N 3.42Å; N188-L193 HydrophobicContact CB-CB 4.11Å; N188-L193 HydrophobicContact CB-CD2 3.87Å
194Y98.4Very high97.1Very high66 Ų6665 Ų6526%0.25935%0.346SS..EExtended strand (participates in β ladder)trans-130.1100.7175.9-60.4-86000110.8A109 V110 I111 E112 L192 I212A109-Y194 HydrophobicContact CB-CD2 3.87Å; A109-Y194 HydrophobicContact CB-CE2 3.86Å; V110-Y194 PolarHBondContact O-N 3.11Å; I111-Y194 WeakPolarHBondContact CA-O 3.31Å; E112-Y194 PolarHBondContact N-O 3.46Å; L192-Y194 WeakPolarHBondContact O-CD2 3.4Å; L192-Y194 VanDerWaalsContact O-CE2 3.28Å; L192-Y194 WeakPolarHBondContact O-CE2 3.33Å; Y194-I212 HydrophobicContact CD1-CG1 4.27Å; Y194-I212 HydrophobicContact CD1-CG2 4.02Å; Y194-I212 HydrophobicContact CD2-CG2 3.67Å; Y194-I212 HydrophobicContact CE2-CG2 4.22Å; Y194-I212 HydrophobicContact CG-CD1 4.38Å; Y194-I212 HydrophobicContact CG-CG1 4.24Å; Y194-I212 HydrophobicContact CG-CG2 3.56Å
195P98.1Very high97.1Very high74 Ų7463.9 Ų63.948%0.48134%0.34SS..EExtended strand (participates in β ladder)trans-68.9139.3173.5-21.434.9000112.5E112E112-P195 CarbonylContact O-C 3Å
196V98.2Very high97.1Very high5 Ų562.2 Ų62.23%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-131.3127.2174.6178.10000109I111 E112 Q114 G198 V205 D208 V209 I212I111-V196 HydrophobicContact CG2-CG2 4.03Å; E112-V196 PolarHBondContact O-N 3.07Å; Q114-V196 PolarHBondContact N-O 3.35Å; V196-G198 PolarHBondContact O-N 3.34Å; V196-G198 VanDerWaalsContact O-N 3.13Å; V196-V205 HydrophobicContact CG1-CG1 3.96Å; V196-D208 HydrophobicContact CG1-CB 4.02Å; V196-V209 HydrophobicContact CG2-CG2 4.38Å; V196-I212 HydrophobicContact CG2-CD1 3.41Å; V196-I212 VanDerWaalsContact CG2-CD1 3.41Å
197D97.7Very high97.1Very high75 Ų7561.4 Ų61.440%0.40133%0.329SS..EExtended strand (participates in β ladder)trans-65.8110.7170.7173.416.5000110.1D199 R200D197-D199 PolarHBondContact OD1-N 3.05Å; D197-R200 PolarHBondContact O-NE 2.9Å; D197-R200 VanDerWaalsContact O-NE 3.13Å; D197-R200 PolarHBondContact O-NH2 2.87Å; D197-R200 VanDerWaalsContact OD2-CD 3.31Å; D197-R200 WeakPolarHBondContact OD2-CD 3.45Å; D197-R200 WeakPolarHBondContact OD2-CG 3.42Å; D197-R200 IonicContact OD2-NE 3.16Å; D197-R200 PolarHBondContact OD2-NE 3.35Å
198G96.6Very high97.1Very high4 Ų463 Ų634%0.04134%0.338CS..  trans-95.12.7179.500000114.6Q114 R123 V196 R200Q114-G198 WeakPolarHBondContact O-CA 3.43Å; Q114-G198 PolarHBondContact O-N 3.02Å; R123-G198 PolarHBondContact NH1-O 3.26Å; R123-G198 PolarHBondContact NH2-O 2.99Å; V196-G198 PolarHBondContact O-N 3.34Å; V196-G198 VanDerWaalsContact O-N 3.13Å; G198-R200 PolarHBondContact O-N 3.34Å
199D94.3Very high97.1Very high82 Ų8258 Ų5844%0.43931%0.312SS..SBendtrans-91.241174.7-156.532.2000112.2R123 D197R123-D199 IonicContact CZ-OD1 3.15Å; R123-D199 IonicContact NH2-OD1 2.76Å; R123-D199 PolarHBondContact NH2-OD1 3.29Å; D197-D199 PolarHBondContact OD1-N 3.05Å
200R94.9Very high97.1Very high91 Ų9152.9 Ų52.934%0.34329%0.288SS..SBendtrans-134170.9179.4-64.9-179.9-64.3159.32.5110.2D197 G198 A204 V205 D208D197-R200 PolarHBondContact O-NE 2.9Å; D197-R200 VanDerWaalsContact O-NE 3.13Å; D197-R200 PolarHBondContact O-NH2 2.87Å; D197-R200 VanDerWaalsContact OD2-CD 3.31Å; D197-R200 WeakPolarHBondContact OD2-CD 3.45Å; D197-R200 WeakPolarHBondContact OD2-CG 3.42Å; D197-R200 IonicContact OD2-NE 3.16Å; D197-R200 PolarHBondContact OD2-NE 3.35Å; G198-R200 PolarHBondContact O-N 3.34Å; R200-A204 HydrophobicContact CB-CB 4.39Å; R200-V205 HydrophobicContact CB-CG2 4.05Å; R200-D208 IonicContact CZ-OD2 3.3Å; R200-D208 IonicContact NH1-OD2 2.66Å; R200-D208 PolarHBondContact NH1-OD2 2.91Å; R200-D208 IonicContact NH2-OD2 3.46Å; R200-D208 PolarHBondContact NH2-OD2 2.82Å
201E94Very high97.1Very high152 Ų15253.3 Ų53.371%0.7129%0.288SS*.  trans-52.2141.4174-68.9-59.1143.300111.8D203 A204 V205E201-D203 PolarHBondContact O-N 3.2Å; E201-D203 VanDerWaalsContact O-N 3.08Å; E201-A204 HydrophobicContact CB-CB 4.45Å; E201-A204 WeakPolarHBondContact O-CB 3.49Å; E201-A204 PolarHBondContact O-N 3.05Å; E201-V205 WeakPolarHBondContact O-CG2 3.39Å; E201-V205 PolarHBondContact O-N 3.37Å
202I93.5Very high97.1Very high44 Ų4451.9 Ų51.923%0.22627%0.268CS..Hα-helixtrans-51.3-40.8-173.9-69166.6000111.8T15 Q16 N142 F206T15-I202 HydrophobicContact CG2-CD1 3.91Å; T15-I202 HydrophobicContact CG2-CG1 4.08Å; T15-I202 HydrophobicContact CG2-CG2 3.64Å; Q16-I202 PolarHBondContact NE2-O 3.36Å; N142-I202 HydrophobicContact CB-CD1 4.06Å; I202-F206 WeakPolarHBondContact O-CB 3.48Å; I202-F206 PolarHBondContact O-N 2.85Å
203D96.2Very high97Very high99 Ų9951.1 Ų51.153%0.52926%0.264SS..Hα-helixtrans-69.5-37.2-179.5-70.1-10.4000112.6R19 E201 F206 A207R19-D203 IonicContact CZ-OD1 2.69Å; R19-D203 IonicContact NE-OD1 3.61Å; R19-D203 IonicContact NH1-OD1 3.63Å; R19-D203 PolarHBondContact NH1-OD1 3.07Å; R19-D203 VanDerWaalsContact NH1-OD1 3.16Å; R19-D203 IonicContact NH2-OD1 3.42Å; R19-D203 PolarHBondContact NH2-OD1 3.14Å; E201-D203 PolarHBondContact O-N 3.2Å; E201-D203 VanDerWaalsContact O-N 3.08Å; D203-F206 PolarHBondContact O-N 3.08Å; D203-A207 WeakPolarHBondContact O-CB 3.46Å; D203-A207 PolarHBondContact O-N 2.91Å
204A97.6Very high96.9Very high39 Ų3956.3 Ų56.332%0.32229%0.287SS..Hα-helixtrans-69.4-40.7177.500000111.4R200 E201 F206 A207 D208R200-A204 HydrophobicContact CB-CB 4.39Å; E201-A204 HydrophobicContact CB-CB 4.45Å; E201-A204 WeakPolarHBondContact O-CB 3.49Å; E201-A204 PolarHBondContact O-N 3.05Å; A204-F206 VanDerWaalsContact C-N 3.34Å; A204-A207 PolarHBondContact O-N 3.25Å; A204-D208 PolarHBondContact O-N 3.03Å
205V97.8Very high96.2Very high4 Ų462.4 Ų62.42%0.02432%0.315CS..Hα-helixtrans-61.4-45.6173.5-179.40000110.1Q16 I113 V196 R200 E201 A207 D208 V209Q16-V205 HydrophobicContact CG-CG1 4.01Å; I113-V205 HydrophobicContact CD1-CG1 4.11Å; V196-V205 HydrophobicContact CG1-CG1 3.96Å; R200-V205 HydrophobicContact CB-CG2 4.05Å; E201-V205 WeakPolarHBondContact O-CG2 3.39Å; E201-V205 PolarHBondContact O-N 3.37Å; V205-A207 PolarHBondContact O-N 3.23Å; V205-D208 PolarHBondContact O-N 2.95Å; V205-V209 WeakPolarHBondContact O-CG2 3.33Å; V205-V209 PolarHBondContact O-N 3.09Å; V205-V209 VanDerWaalsContact O-N 3.12Å
206F98.2Very high96.1Very high10 Ų1061.8 Ų61.84%0.04431%0.307CS..Hα-helixtrans-63.3-40.4179.4-172.2-115.8000112.6Q16 R19 I20 T23 I202 D203 A204 D208 V209 E210Q16-F206 VanDerWaalsContact OE1-CA 3.31Å; Q16-F206 VanDerWaalsContact OE1-CB 3.24Å; R19-F206 HydrophobicContact CB-CD1 4.42Å; R19-F206 HydrophobicContact CB-CD2 3.48Å; R19-F206 VanDerWaalsContact CB-CD2 3.48Å; R19-F206 HydrophobicContact CB-CE1 4.28Å; R19-F206 HydrophobicContact CB-CE2 3.36Å; R19-F206 HydrophobicContact CB-CG 4.04Å; R19-F206 HydrophobicContact CB-CZ 3.79Å; R19-F206 HydrophobicContact CG-CD2 4.38Å; I20-F206 HydrophobicContact CG1-CE2 3.99Å; T23-F206 HydrophobicContact CG2-CZ 4.41Å; T23-F206 WeakPolarHBondContact OG1-CZ 3.45Å; I202-F206 WeakPolarHBondContact O-CB 3.48Å; I202-F206 PolarHBondContact O-N 2.85Å; D203-F206 PolarHBondContact O-N 3.08Å; A204-F206 VanDerWaalsContact C-N 3.34Å; F206-D208 PolarHBondContact O-N 2.78Å; F206-V209 CarbonylContact O-C 3.48Å; F206-V209 WeakPolarHBondContact O-CA 3.46Å; F206-V209 WeakPolarHBondContact O-CB 3.38Å; F206-V209 PolarHBondContact O-N 3Å; F206-E210 HydrophobicContact CD1-CG 3.97Å; F206-E210 WeakPolarHBondContact CD1-OE2 3.4Å; F206-E210 HydrophobicContact CE1-CG 3.58Å; F206-E210 WeakPolarHBondContact CE1-OE1 3.32Å; F206-E210 WeakPolarHBondContact CE1-OE2 3.3Å; F206-E210 HydrophobicContact CE2-CG 4.17Å; F206-E210 HydrophobicContact CG-CG 4.47Å; F206-E210 HydrophobicContact CZ-CG 3.67Å; F206-E210 WeakPolarHBondContact O-CG 3.41Å; F206-E210 PolarHBondContact O-N 3.3Å
207A98.2Very high96Very high37 Ų3764.8 Ų64.831%0.30632%0.321SS..Hα-helixtrans-60.2-33.8177.600000112.7D203 A204 V205 K211D203-A207 WeakPolarHBondContact O-CB 3.46Å; D203-A207 PolarHBondContact O-N 2.91Å; A204-A207 PolarHBondContact O-N 3.25Å; V205-A207 PolarHBondContact O-N 3.23Å; A207-K211 WeakPolarHBondContact O-CG 3.31Å; A207-K211 PolarHBondContact O-N 3.27Å
208D98.1Very high95.9Very high40 Ų4064.2 Ų64.221%0.21432%0.317CS..Hα-helixtrans-76.4-33.1174.9-73-18.9000112.4V196 R200 A204 V205 F206 K211 I212V196-D208 HydrophobicContact CG1-CB 4.02Å; R200-D208 IonicContact CZ-OD2 3.3Å; R200-D208 IonicContact NH1-OD2 2.66Å; R200-D208 PolarHBondContact NH1-OD2 2.91Å; R200-D208 IonicContact NH2-OD2 3.46Å; R200-D208 PolarHBondContact NH2-OD2 2.82Å; A204-D208 PolarHBondContact O-N 3.03Å; V205-D208 PolarHBondContact O-N 2.95Å; F206-D208 PolarHBondContact O-N 2.78Å; D208-K211 PolarHBondContact O-N 3.27Å; D208-K211 IonicContact OD1-NZ 3.48Å; D208-K211 PolarHBondContact OD1-NZ 2.91Å; D208-I212 WeakPolarHBondContact O-CD1 3.38Å; D208-I212 WeakPolarHBondContact O-CG1 3.43Å; D208-I212 PolarHBondContact O-N 2.61Å
209V98.1Very high95.9Very high0 Ų067.8 Ų67.80%033%0.333CS..Hα-helixtrans-61.5-46.4169.9169.50000111.2I20 I111 V196 V205 F206 K211 I212 I213I20-V209 HydrophobicContact CD1-CG1 3.82Å; I20-V209 HydrophobicContact CG1-CG1 3.85Å; I111-V209 HydrophobicContact CD1-CG1 4.05Å; I111-V209 HydrophobicContact CG2-CG2 4.04Å; V196-V209 HydrophobicContact CG2-CG2 4.38Å; V205-V209 WeakPolarHBondContact O-CG2 3.33Å; V205-V209 PolarHBondContact O-N 3.09Å; V205-V209 VanDerWaalsContact O-N 3.12Å; F206-V209 CarbonylContact O-C 3.48Å; F206-V209 WeakPolarHBondContact O-CA 3.46Å; F206-V209 WeakPolarHBondContact O-CB 3.38Å; F206-V209 PolarHBondContact O-N 3Å; V209-K211 PolarHBondContact O-N 3.27Å; V209-I212 WeakPolarHBondContact O-CB 3.33Å; V209-I212 PolarHBondContact O-N 3.25Å; V209-I213 HydrophobicContact CG1-CD1 3.68Å; V209-I213 HydrophobicContact CG1-CG1 4.42Å; V209-I213 WeakPolarHBondContact O-CG1 3.46Å; V209-I213 PolarHBondContact O-N 3.2Å; V209-I213 VanDerWaalsContact O-N 3.11Å
210E97.4Very high96Very high53 Ų5366.9 Ų66.925%0.24833%0.326CS..Hα-helixtrans-59-45.3177.5-72.3-179.1120.400111.6F206 I212 I213 E214F206-E210 HydrophobicContact CD1-CG 3.97Å; F206-E210 WeakPolarHBondContact CD1-OE2 3.4Å; F206-E210 HydrophobicContact CE1-CG 3.58Å; F206-E210 WeakPolarHBondContact CE1-OE1 3.32Å; F206-E210 WeakPolarHBondContact CE1-OE2 3.3Å; F206-E210 HydrophobicContact CE2-CG 4.17Å; F206-E210 HydrophobicContact CG-CG 4.47Å; F206-E210 HydrophobicContact CZ-CG 3.67Å; F206-E210 WeakPolarHBondContact O-CG 3.41Å; F206-E210 PolarHBondContact O-N 3.3Å; E210-I212 PolarHBondContact O-N 2.63Å; E210-I212 VanDerWaalsContact O-N 3.1Å; E210-I213 PolarHBondContact O-N 3.24Å; E210-E214 WeakPolarHBondContact O-CG 3.44Å; E210-E214 PolarHBondContact O-N 3.09Å
211K97.7Very high96.1Very high129 Ų12965.3 Ų65.356%0.56133%0.325SS*.Hα-helixtrans-58.6-24.4175.2-71.1171.2-161.41590114.1A207 D208 V209 K215A207-K211 WeakPolarHBondContact O-CG 3.31Å; A207-K211 PolarHBondContact O-N 3.27Å; D208-K211 PolarHBondContact O-N 3.27Å; D208-K211 IonicContact OD1-NZ 3.48Å; D208-K211 PolarHBondContact OD1-NZ 2.91Å; V209-K211 PolarHBondContact O-N 3.27Å; K211-K215 VanDerWaalsContact O-CE 3.27Å; K211-K215 WeakPolarHBondContact O-CE 3.39Å; K211-K215 WeakPolarHBondContact O-CG 3.34Å
212I97.2Very high96.2Very high21 Ų2159.1 Ų59.111%0.10830%0.298CS..Hα-helixtrans-80.8-41.4175.3-67.3157.4000110.2A109 I111 Y194 V196 D208 V209 E210A109-I212 HydrophobicContact CB-CG2 4.14Å; I111-I212 HydrophobicContact CG1-CD1 4.49Å; I111-I212 HydrophobicContact CG1-CG2 4.09Å; Y194-I212 HydrophobicContact CD1-CG1 4.27Å; Y194-I212 HydrophobicContact CD1-CG2 4.02Å; Y194-I212 HydrophobicContact CD2-CG2 3.67Å; Y194-I212 HydrophobicContact CE2-CG2 4.22Å; Y194-I212 HydrophobicContact CG-CD1 4.38Å; Y194-I212 HydrophobicContact CG-CG1 4.24Å; Y194-I212 HydrophobicContact CG-CG2 3.56Å; V196-I212 HydrophobicContact CG2-CD1 3.41Å; V196-I212 VanDerWaalsContact CG2-CD1 3.41Å; D208-I212 WeakPolarHBondContact O-CD1 3.38Å; D208-I212 WeakPolarHBondContact O-CG1 3.43Å; D208-I212 PolarHBondContact O-N 2.61Å; V209-I212 WeakPolarHBondContact O-CB 3.33Å; V209-I212 PolarHBondContact O-N 3.25Å; E210-I212 PolarHBondContact O-N 2.63Å; E210-I212 VanDerWaalsContact O-N 3.1Å
213I96.6Very high96.4Very high23 Ų2360.2 Ų60.212%0.11830%0.303CS..Hα-helixtrans-71.8-35.5-176.3-65.7171.8000111.9M1 L3 I20 Y24 I111 V209 E210 K215M1-I213 HydrophobicContact CE-CG2 3.2Å; M1-I213 HydrophobicContact CG-CG2 4.43Å; M1-I213 HydrophobicContact SD-CG2 3.5Å; M1-I213 VanDerWaalsContact SD-CG2 3.5Å; L3-I213 HydrophobicContact CD1-CD1 3.63Å; L3-I213 HydrophobicContact CD1-CG1 3.84Å; L3-I213 HydrophobicContact CD2-CG1 4.37Å; I20-I213 HydrophobicContact CG1-CD1 4.19Å; I20-I213 HydrophobicContact CG2-CD1 4.22Å; Y24-I213 HydrophobicContact CD1-CG2 4.11Å; Y24-I213 HydrophobicContact CD2-CD1 4.16Å; Y24-I213 HydrophobicContact CD2-CG2 4.37Å; Y24-I213 HydrophobicContact CE1-CG2 3.6Å; Y24-I213 HydrophobicContact CE2-CB 4.37Å; Y24-I213 HydrophobicContact CE2-CD1 3.66Å; Y24-I213 HydrophobicContact CE2-CG2 3.94Å; Y24-I213 HydrophobicContact CG-CG2 4.45Å; I111-I213 HydrophobicContact CD1-CD1 4.33Å; I111-I213 HydrophobicContact CD1-CG1 4.16Å; V209-I213 HydrophobicContact CG1-CD1 3.68Å; V209-I213 HydrophobicContact CG1-CG1 4.42Å; V209-I213 WeakPolarHBondContact O-CG1 3.46Å; V209-I213 PolarHBondContact O-N 3.2Å; V209-I213 VanDerWaalsContact O-N 3.11Å; E210-I213 PolarHBondContact O-N 3.24Å; I213-K215 PolarHBondContact O-N 2.96Å
214E95.3Very high96.4Very high135 Ų13557 Ų5763%0.63129%0.285SS*.THydrogen-bonded Turntrans-91.915.4-174-60.6-175.3156.900114.7Y24 E210Y24-E214 HydrophobicContact CE1-CG 4.33Å; Y24-E214 WeakPolarHBondContact OH-CG 3.35Å; Y24-E214 PolarHBondContact OH-OE1 3.45Å; E210-E214 WeakPolarHBondContact O-CG 3.44Å; E210-E214 PolarHBondContact O-N 3.09Å
215K84.9Confident96.3Very high193 Ų19358.6 Ų58.684%0.83928%0.281SS*.  trans-70.90179.9-66.9-175.4177.3168.90114.3K211 I213K211-K215 VanDerWaalsContact O-CE 3.27Å; K211-K215 WeakPolarHBondContact O-CE 3.39Å; K211-K215 WeakPolarHBondContact O-CG 3.34Å; I213-K215 PolarHBondContact O-N 2.96Å

Retrieved 215 of 215 residues in 187 ms (Link to these results)

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