A0A077ZDM0_TRITR Loading...

pseudouridine 5'-phosphatase

AlphaFold DB , UniProt , Accession A0A077ZDM0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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
1M80.7Confident96.5Very high228 Ų22850.6 Ų50.6100%1.12327%0.274SS*.  0141.40-79.4-173-81.500107.8
2T95.3Very high96.6Very high61 Ų6146.4 Ų46.437%0.37425%0.251SS..  trans-73.1160.817451.10000110.6T207 L220 F221T2-T207 HydrophobicContact CG2-CG2 4.03Å; T2-L220 WeakPolarHBondContact CB-O 3.32Å; T2-L220 PolarHBondContact OG1-O 2.84Å; T2-F221 HydrophobicContact CG2-CD1 3.98Å; T2-F221 HydrophobicContact CG2-CE1 3.48Å; T2-F221 VanDerWaalsContact CG2-CE1 3.48Å; T2-F221 HydrophobicContact CG2-CE2 4.09Å; T2-F221 HydrophobicContact CG2-CG 4.49Å; T2-F221 HydrophobicContact CG2-CZ 3.55Å
3Q96.5Very high96.6Very high96 Ų9644.1 Ų44.145%0.44924%0.239SC..  trans-128.3160.1175.9-67.417859.600109.6A5 S168 Q189Q3-A5 PolarHBondContact O-N 2.97Å; Q3-S168 PolarHBondContact OE1-OG 3.48Å; Q3-Q189 PolarHBondContact O-NE2 2.8Å; Q3-Q189 PolarHBondContact O-OE1 3.28Å
4P98.2Very high96.5Very high76 Ų7641.4 Ų41.449%0.49423%0.227SC..  trans-58.9124.6174.8-19.829.7000111.6F221 D222P4-F221 CarbonylContact C-O 3.45Å; P4-F221 WeakPolarHBondContact CA-O 3.41Å; P4-D222 HydrophobicContact CB-CB 4Å; P4-D222 HydrophobicContact CG-CB 4.5Å; P4-D222 WeakPolarHBondContact CG-OD2 3.44Å
5A98.6Very high96.7Very high7 Ų738.7 Ų38.76%0.05821%0.212CC..  trans-101.4152.3173.100000110.8Q3 A169 L171 F221 L223Q3-A5 PolarHBondContact O-N 2.97Å; A5-A169 CarbonylContact C-O 3.57Å; A5-L171 HydrophobicContact CB-CB 3.85Å; A5-F221 HydrophobicContact CB-CB 4.09Å; A5-F221 PolarHBondContact N-O 3.25Å; A5-L223 HydrophobicContact CB-CD1 4.16Å; A5-L223 HydrophobicContact CB-CD2 4.27Å; A5-L223 HydrophobicContact CB-CG 4.16Å; A5-L223 WeakPolarHBondContact O-CD2 3.27Å
6T98.5Very high96.8Very high67 Ų6736.3 Ų36.341%0.41120%0.199SC..  trans-131.7-22.3-179.954.40000112.6P105 A169T6-P105 WeakPolarHBondContact O-CD 3.37Å; T6-A169 PolarHBondContact N-O 3.28Å; T6-A169 WeakPolarHBondContact OG1-CB 3.37Å; T6-A169 PolarHBondContact OG1-O 3.12Å; T6-A169 VanDerWaalsContact OG1-O 3.13Å
7H98.8Very high96.9Very high13 Ų1334.2 Ų34.26%0.0619%0.187CC..EExtended strand (participates in β ladder)trans-131.6149.5-178.9-6268.1000109F160 P162 P164 A169 V170 L171H7-F160 HydrophobicContact CB-CD2 4.18Å; H7-F160 HydrophobicContact CB-CE2 3.94Å; H7-F160 HydrophobicContact CB-CZ 4.2Å; H7-F160 AromaticContact CD2-CD1 3.76Å; H7-F160 AromaticContact CD2-CD2 3.75Å; H7-F160 AromaticContact CD2-CG 3.49Å; H7-F160 VanDerWaalsContact CD2-CG 3.49Å; H7-F160 WeakPolarHBondContact CD2-CG 3.39Å; H7-P162 PolarHBondContact NE2-O 3.14Å; H7-P164 VanDerWaalsContact CE1-CA 3.47Å; H7-P164 WeakPolarHBondContact CE1-CA 3.38Å; H7-A169 PolarHBondContact N-O 3.26Å; H7-V170 HydrophobicContact CB-CG2 4.35Å; H7-V170 WeakPolarHBondContact O-CA 3.42Å; H7-L171 PolarHBondContact O-N 3.04Å
8V98.9Very high96.9Very high0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans-126130.8-178.3178.20000110.7F10 F99 V104 P105 M106 A107 F160 L171 F173 L223V8-F10 HydrophobicContact CB-CE2 4.33Å; V8-F10 HydrophobicContact CG1-CD1 4.45Å; V8-F10 HydrophobicContact CG1-CD2 3.96Å; V8-F10 HydrophobicContact CG1-CE1 3.93Å; V8-F10 HydrophobicContact CG1-CE2 3.41Å; V8-F10 VanDerWaalsContact CG1-CE2 3.41Å; V8-F10 HydrophobicContact CG1-CG 4.46Å; V8-F10 HydrophobicContact CG1-CZ 3.39Å; V8-F99 HydrophobicContact CB-CE2 4.47Å; V8-F99 HydrophobicContact CG1-CD2 4.36Å; V8-F99 HydrophobicContact CG1-CE2 4.1Å; V8-F99 HydrophobicContact CG2-CD2 4.1Å; V8-F99 HydrophobicContact CG2-CE2 3.84Å; V8-F99 HydrophobicContact CG2-CZ 4.2Å; V8-V104 HydrophobicContact CG2-CG1 3.77Å; V8-P105 PolarHBondContact N-O 3.04Å; V8-M106 HydrophobicContact CB-CG 4.16Å; V8-M106 CarbonylContact O-C 3.52Å; V8-M106 VanDerWaalsContact O-CA 3.24Å; V8-M106 WeakPolarHBondContact O-CA 3.29Å; V8-A107 PolarHBondContact O-N 3.45Å; V8-F160 WeakPolarHBondContact O-CZ 3.2Å; V8-L171 CarbonylContact C-O 3.54Å; V8-L171 VanDerWaalsContact CA-O 3.28Å; V8-L171 WeakPolarHBondContact CA-O 3.4Å; V8-L171 HydrophobicContact CG2-CB 4.48Å; V8-F173 HydrophobicContact CG1-CD2 3.64Å; V8-F173 HydrophobicContact CG1-CE2 3.6Å; V8-L223 HydrophobicContact CG2-CD1 4.33Å
9I98.9Very high96.9Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-116.5129.5171.3-57.8174000108.5A107 C109 F153 C156 F160 V170 L171 V172 F173 M188I9-A107 WeakPolarHBondContact CA-O 3.39Å; I9-C109 HydrophobicContact CG2-CB 3.57Å; I9-F153 HydrophobicContact CD1-CD1 4.44Å; I9-F153 HydrophobicContact CG2-CD1 3.9Å; I9-F153 HydrophobicContact CG2-CE1 3.93Å; I9-C156 HydrophobicContact CD1-CB 4.04Å; I9-F160 HydrophobicContact CD1-CE2 4.06Å; I9-F160 HydrophobicContact CG1-CE2 3.7Å; I9-F160 HydrophobicContact CG1-CZ 3.93Å; I9-V170 HydrophobicContact CD1-CG1 3.72Å; I9-V170 HydrophobicContact CG1-CG1 3.84Å; I9-L171 PolarHBondContact N-O 3.3Å; I9-V172 HydrophobicContact CB-CG2 4.39Å; I9-V172 CarbonylContact O-C 3.31Å; I9-V172 VanDerWaalsContact O-CA 3.25Å; I9-V172 WeakPolarHBondContact O-CA 3.47Å; I9-F173 PolarHBondContact O-N 3.36Å; I9-M188 HydrophobicContact CD1-CE 4.48Å; I9-M188 HydrophobicContact CD1-SD 4.33Å
10F98.9Very high96.8Very high0 Ų033.9 Ų33.90%018%0.184CC..EExtended strand (participates in β ladder)trans-103.4139.4174.7-63.2-81.2000110.8V8 L16 L95 I96 F99 M106 A107 L108 C109 L131 F173V8-F10 HydrophobicContact CB-CE2 4.33Å; V8-F10 HydrophobicContact CG1-CD1 4.45Å; V8-F10 HydrophobicContact CG1-CD2 3.96Å; V8-F10 HydrophobicContact CG1-CE1 3.93Å; V8-F10 HydrophobicContact CG1-CE2 3.41Å; V8-F10 VanDerWaalsContact CG1-CE2 3.41Å; V8-F10 HydrophobicContact CG1-CG 4.46Å; V8-F10 HydrophobicContact CG1-CZ 3.39Å; F10-L16 HydrophobicContact CB-CD1 3.61Å; F10-L16 HydrophobicContact CB-CD2 4.48Å; F10-L16 HydrophobicContact CB-CG 4.11Å; F10-L16 HydrophobicContact CD1-CD1 4.45Å; F10-L16 HydrophobicContact CD1-CD2 3.87Å; F10-L16 HydrophobicContact CD1-CG 4.39Å; F10-L16 HydrophobicContact CE1-CD2 4.4Å; F10-L16 HydrophobicContact CG-CD1 4.01Å; F10-L16 HydrophobicContact CG-CD2 4.26Å; F10-L16 HydrophobicContact CG-CG 4.41Å; F10-L95 HydrophobicContact CE1-CD2 3.66Å; F10-L95 HydrophobicContact CE1-CG 4.23Å; F10-L95 HydrophobicContact CZ-CD2 4.12Å; F10-L95 HydrophobicContact CZ-CG 4.19Å; F10-I96 HydrophobicContact CE2-CG1 4.2Å; F10-I96 HydrophobicContact CZ-CG1 4.28Å; F10-F99 AromaticContact CZ-CD2 3.94Å; F10-F99 HydrophobicContact CZ-CD2 3.94Å; F10-F99 HydrophobicContact CZ-CE2 4.05Å; F10-M106 HydrophobicContact CE2-CB 4.18Å; F10-M106 HydrophobicContact CE2-CG 3.96Å; F10-M106 HydrophobicContact CE2-SD 3.77Å; F10-M106 HydrophobicContact CZ-SD 4.41Å; F10-A107 PolarHBondContact N-O 3.34Å; F10-L108 HydrophobicContact CB-CD1 4.18Å; F10-L108 CarbonylContact O-C 3.48Å; F10-L108 WeakPolarHBondContact O-CA 3.12Å; F10-L108 WeakPolarHBondContact O-CD1 3.46Å; F10-C109 PolarHBondContact O-N 3.14Å; F10-L131 HydrophobicContact CD2-CD2 4.34Å; F10-F173 HydrophobicContact CD1-CB 3.68Å; F10-F173 AromaticContact CD1-CD2 3.87Å; F10-F173 HydrophobicContact CD1-CD2 3.87Å; F10-F173 AromaticContact CD1-CG 3.89Å; F10-F173 HydrophobicContact CD1-CG 3.89Å; F10-F173 HydrophobicContact CE1-CB 4.07Å; F10-F173 HydrophobicContact CE1-CD1 4.38Å; F10-F173 AromaticContact CE1-CD2 3.51Å; F10-F173 HydrophobicContact CE1-CD2 3.51Å; F10-F173 AromaticContact CE1-CE2 3.99Å; F10-F173 HydrophobicContact CE1-CE2 3.99Å; F10-F173 AromaticContact CE1-CG 3.74Å; F10-F173 HydrophobicContact CE1-CG 3.74Å; F10-F173 HydrophobicContact CZ-CD2 4.23Å; F10-F173 HydrophobicContact CZ-CE2 4.4Å
11D98.2Very high96.7Very high9 Ų936.1 Ų36.15%0.04820%0.198CC..  trans-68.6171.7150-170.664.8000110.6D13 L15 L16 K147 F173 E174D11-D13 PolarHBondContact OD2-N 3.04Å; D11-L15 HydrophobicContact CB-CD2 3.86Å; D11-L16 WeakPolarHBondContact O-CD1 3.31Å; D11-L16 WeakPolarHBondContact O-CG 3.49Å; D11-K147 IonicContact OD1-NZ 3.67Å; D11-K147 PolarHBondContact OD1-NZ 3.25Å; D11-F173 PolarHBondContact N-O 3.33Å; D11-E174 HydrophobicContact CB-CG 4.3Å
12L97.7Very high97.5Very high0 Ų026.1 Ų26.10%015%0.149CC..  trans-107.2-57178.1-177.168.5000112.4L15 L16 L17 L108 Y117 K120 T121 F128L12-L15 PolarHBondContact O-N 3.33Å; L12-L16 HydrophobicContact CD1-CB 4.46Å; L12-L16 PolarHBondContact O-N 2.98Å; L12-L17 HydrophobicContact CD1-CD1 3.83Å; L12-L17 HydrophobicContact CD1-CG 4.11Å; L12-L17 HydrophobicContact CG-CD1 4.31Å; L12-L17 PolarHBondContact O-N 2.97Å; L12-L108 HydrophobicContact CB-CD1 4.05Å; L12-L108 HydrophobicContact CB-CD2 4.37Å; L12-L108 HydrophobicContact CD1-CD1 4.22Å; L12-L108 HydrophobicContact CD1-CD2 4.23Å; L12-Y117 HydrophobicContact CD1-CD2 4.45Å; L12-Y117 HydrophobicContact CD1-CE2 4.47Å; L12-Y117 HydrophobicContact CD2-CD2 3.76Å; L12-K120 HydrophobicContact CD2-CD 4.1Å; L12-T121 HydrophobicContact CD1-CG2 4.41Å; L12-F128 HydrophobicContact CD1-CE1 3.51Å; L12-F128 HydrophobicContact CD1-CZ 3.75Å
13D96.1Very high97.5Very high16 Ų1624.7 Ų24.79%0.08614%0.137CC..BIsolated β-bridgetrans-86.7123.2-158.4-72.3-46.3000109D11 L15 T19 Y23 S112 K120D11-D13 PolarHBondContact OD2-N 3.04Å; D13-L15 PolarHBondContact O-N 3.42Å; D13-T19 WeakPolarHBondContact CA-OG1 3.34Å; D13-T19 VanDerWaalsContact CB-OG1 3.3Å; D13-T19 WeakPolarHBondContact CB-OG1 3.39Å; D13-T19 WeakPolarHBondContact OD1-CG2 3.43Å; D13-T19 PolarHBondContact OD1-OG1 3.05Å; D13-Y23 HydrophobicContact CB-CE2 4.46Å; D13-S112 PolarHBondContact OD2-OG 3.42Å; D13-K120 WeakPolarHBondContact OD1-CD 3.41Å; D13-K120 WeakPolarHBondContact OD1-CE 3.43Å; D13-K120 IonicContact OD1-NZ 3.66Å; D13-K120 PolarHBondContact OD1-NZ 2.75Å; D13-K120 IonicContact OD2-NZ 3.8Å; D13-K120 PolarHBondContact OD2-NZ 3.29Å; D13-K120 VanDerWaalsContact OD2-NZ 3.07Å
14G96.3Very high97.5Very high7 Ų722 Ų227%0.07213%0.127CC..THydrogen-bonded Turntrans77.7-7.5-17400000114.4L17 T19G14-L17 WeakPolarHBondContact CA-O 3.41Å; G14-L17 PolarHBondContact N-O 3.37Å; G14-T19 PolarHBondContact N-OG1 3.07Å; G14-T19 VanDerWaalsContact N-OG1 3.15Å
15L98.3Very high97.5Very high1 Ų122.2 Ų22.21%0.00512%0.121CC..THydrogen-bonded Turntrans-114.7-59.9-178.517973.3000113.8D11 L12 D13 M89 F173 D175 V193 L213D11-L15 HydrophobicContact CB-CD2 3.86Å; L12-L15 PolarHBondContact O-N 3.33Å; D13-L15 PolarHBondContact O-N 3.42Å; L15-M89 WeakPolarHBondContact O-CB 3.22Å; L15-M89 WeakPolarHBondContact O-CG 3.24Å; L15-F173 HydrophobicContact CD1-CB 4.34Å; L15-F173 HydrophobicContact CD2-CB 3.65Å; L15-F173 WeakPolarHBondContact CD2-O 3.11Å; L15-D175 HydrophobicContact CB-CB 4.38Å; L15-V193 HydrophobicContact CD1-CB 3.95Å; L15-V193 HydrophobicContact CD1-CG2 4.2Å; L15-L213 HydrophobicContact CD1-CD2 4.05Å; L15-L213 WeakPolarHBondContact O-CD1 3.46Å
16L98.6Very high97.5Very high0 Ų021.9 Ų21.90%012%0.118CC..THydrogen-bonded Turntrans-91.1-34.2177.3-70-175.9000110.7F10 D11 L12 L88 M89 A92 I96 L108 F128 L213F10-L16 HydrophobicContact CB-CD1 3.61Å; F10-L16 HydrophobicContact CB-CD2 4.48Å; F10-L16 HydrophobicContact CB-CG 4.11Å; F10-L16 HydrophobicContact CD1-CD1 4.45Å; F10-L16 HydrophobicContact CD1-CD2 3.87Å; F10-L16 HydrophobicContact CD1-CG 4.39Å; F10-L16 HydrophobicContact CE1-CD2 4.4Å; F10-L16 HydrophobicContact CG-CD1 4.01Å; F10-L16 HydrophobicContact CG-CD2 4.26Å; F10-L16 HydrophobicContact CG-CG 4.41Å; D11-L16 WeakPolarHBondContact O-CD1 3.31Å; D11-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 HydrophobicContact CD1-CB 4.46Å; L12-L16 PolarHBondContact O-N 2.98Å; L16-L88 WeakPolarHBondContact O-CA 3.42Å; L16-M89 PolarHBondContact O-N 3.15Å; L16-A92 HydrophobicContact CD2-CB 3.9Å; L16-I96 HydrophobicContact CD1-CD1 3.95Å; L16-I96 HydrophobicContact CD2-CD1 3.92Å; L16-I96 HydrophobicContact CD2-CG1 4.45Å; L16-L108 HydrophobicContact CD1-CD1 3.83Å; L16-F128 HydrophobicContact CB-CE1 4.39Å; L16-F128 HydrophobicContact CB-CZ 4.31Å; L16-F128 HydrophobicContact CD1-CE1 3.83Å; L16-F128 HydrophobicContact CD1-CZ 4.49Å; L16-L213 HydrophobicContact CD2-CD1 4.37Å
17L98.3Very high97.5Very high0 Ų019.2 Ų19.20%010%0.101CC..BIsolated β-bridgetrans-119.6138.6174.9-64.5177.3000110.4L12 G14 T19 S87 L88 K120 T121 F128L12-L17 HydrophobicContact CD1-CD1 3.83Å; L12-L17 HydrophobicContact CD1-CG 4.11Å; L12-L17 HydrophobicContact CG-CD1 4.31Å; L12-L17 PolarHBondContact O-N 2.97Å; G14-L17 WeakPolarHBondContact CA-O 3.41Å; G14-L17 PolarHBondContact N-O 3.37Å; L17-T19 HydrophobicContact CB-CG2 3.77Å; L17-T19 PolarHBondContact O-N 3.06Å; L17-S87 CarbonylContact C-O 3.35Å; L17-S87 VanDerWaalsContact CA-O 3.29Å; L17-S87 WeakPolarHBondContact CA-O 3.37Å; L17-L88 HydrophobicContact CD2-CD2 3.83Å; L17-L88 HydrophobicContact CD2-CG 4.27Å; L17-K120 HydrophobicContact CD1-CB 3.64Å; L17-T121 HydrophobicContact CD1-CG2 4.05Å; L17-F128 HydrophobicContact CD1-CE2 4.49Å; L17-F128 HydrophobicContact CD1-CZ 4.17Å; L17-F128 HydrophobicContact CD2-CE2 4.22Å; L17-F128 HydrophobicContact CD2-CZ 4.15Å; L17-F128 HydrophobicContact CG-CE2 4.46Å; L17-F128 HydrophobicContact CG-CZ 3.97Å
18D97Very high97.5Very high60 Ų6020.3 Ų20.332%0.32111%0.108SC..  trans-7760.4174.3-171.59000110.9E20 Q22 S87 M89D18-E20 PolarHBondContact O-N 3.35Å; D18-Q22 PolarHBondContact O-OE1 3.02Å; D18-S87 PolarHBondContact N-O 3.48Å; D18-M89 HydrophobicContact CB-CG 4.4Å; D18-M89 HydrophobicContact CB-SD 3.58Å; D18-M89 VanDerWaalsContact CB-SD 3.58Å
19T96.5Very high97.4Very high0 Ų023.7 Ų23.70%012%0.121CC..Hα-helixtrans-77-13.3-178.550.30000113.2D13 G14 L17 V21 Q22 Y23 K120D13-T19 WeakPolarHBondContact CA-OG1 3.34Å; D13-T19 VanDerWaalsContact CB-OG1 3.3Å; D13-T19 WeakPolarHBondContact CB-OG1 3.39Å; D13-T19 WeakPolarHBondContact OD1-CG2 3.43Å; D13-T19 PolarHBondContact OD1-OG1 3.05Å; G14-T19 PolarHBondContact N-OG1 3.07Å; G14-T19 VanDerWaalsContact N-OG1 3.15Å; L17-T19 HydrophobicContact CB-CG2 3.77Å; L17-T19 PolarHBondContact O-N 3.06Å; T19-V21 PolarHBondContact O-N 3.39Å; T19-Q22 PolarHBondContact O-N 3.1Å; T19-Q22 VanDerWaalsContact O-N 3.14Å; T19-Y23 VanDerWaalsContact O-CD2 3.28Å; T19-Y23 WeakPolarHBondContact O-CD2 3.4Å; T19-Y23 PolarHBondContact O-N 3.37Å; T19-K120 HydrophobicContact CG2-CD 3.96Å; T19-K120 HydrophobicContact CG2-CG 4.13Å
20E94.8Very high97.4Very high37 Ų3723.7 Ų23.717%0.17312%0.121CC..Hα-helixtrans-66.4-28.9-178.1-72.7-54.2116.700112.1D18 T24 K43D18-E20 PolarHBondContact O-N 3.35Å; E20-T24 VanDerWaalsContact O-CB 3.28Å; E20-T24 WeakPolarHBondContact O-CB 3.43Å; E20-T24 PolarHBondContact O-N 3.39Å; E20-T24 PolarHBondContact O-OG1 2.74Å; E20-K43 WeakPolarHBondContact OE2-CE 3.4Å; E20-K43 IonicContact OE2-NZ 2.63Å; E20-K43 PolarHBondContact OE2-NZ 3.48Å
21V95.5Very high97.4Very high80 Ų8023.7 Ų23.749%0.48512%0.121SC..Hα-helixtrans-63.5-49.4170176.30000110.6T19 T24 E25T19-V21 PolarHBondContact O-N 3.39Å; V21-T24 PolarHBondContact O-N 3.2Å; V21-E25 WeakPolarHBondContact O-CB 3.49Å; V21-E25 PolarHBondContact O-N 3.02Å
22Q97.4Very high97.3Very high18 Ų1831 Ų318%0.08415%0.152CC..Hα-helixtrans-66.7-41.4-180-72.571.331.600112.1D18 T19 A26 L82 F83D18-Q22 PolarHBondContact O-OE1 3.02Å; T19-Q22 PolarHBondContact O-N 3.1Å; T19-Q22 VanDerWaalsContact O-N 3.14Å; Q22-A26 WeakPolarHBondContact O-CB 3.38Å; Q22-A26 PolarHBondContact O-N 3.01Å; Q22-L82 HydrophobicContact CB-CB 3.93Å; Q22-L82 HydrophobicContact CG-CB 3.78Å; Q22-L82 VanDerWaalsContact CG-O 3.28Å; Q22-L82 WeakPolarHBondContact CG-O 3.47Å; Q22-F83 HydrophobicContact CB-CD1 4.12Å; Q22-F83 HydrophobicContact CB-CE1 4.37Å
23Y96.1Very high97.3Very high31 Ų3136.2 Ų36.212%0.12218%0.175CC..Hα-helixtrans-61-47.6174.4-79.4-59.4000111.1D13 T19 E25 A26 H27 L79 F83 K120D13-Y23 HydrophobicContact CB-CE2 4.46Å; T19-Y23 VanDerWaalsContact O-CD2 3.28Å; T19-Y23 WeakPolarHBondContact O-CD2 3.4Å; T19-Y23 PolarHBondContact O-N 3.37Å; Y23-E25 PolarHBondContact O-N 3.38Å; Y23-A26 PolarHBondContact O-N 3.1Å; Y23-H27 PolarHBondContact O-N 3.17Å; Y23-H27 PolarHBondContact O-ND1 2.83Å; Y23-L79 HydrophobicContact CD1-CD1 4.25Å; Y23-L79 HydrophobicContact CD1-CD2 3.76Å; Y23-L79 HydrophobicContact CE1-CD1 3.96Å; Y23-L79 HydrophobicContact CE1-CD2 4.1Å; Y23-F83 HydrophobicContact CD1-CE1 4.41Å; Y23-F83 HydrophobicContact CD1-CZ 4.32Å; Y23-F83 HydrophobicContact CE1-CE1 4.07Å; Y23-F83 AromaticContact CE1-CZ 3.62Å; Y23-F83 HydrophobicContact CE1-CZ 3.62Å; Y23-F83 HydrophobicContact CE2-CE1 4.31Å; Y23-F83 HydrophobicContact CE2-CZ 4.41Å; Y23-F83 AromaticContact CZ-CZ 3.69Å; Y23-K120 PolarHBondContact OH-NZ 2.94Å
24T96.5Very high97.4Very high40 Ų4038.8 Ų38.825%0.24518%0.184CC..Hα-helixtrans-60.9-45.1-179.1-56.40000111.3E20 V21 H27 N28 L38 K43E20-T24 VanDerWaalsContact O-CB 3.28Å; E20-T24 WeakPolarHBondContact O-CB 3.43Å; E20-T24 PolarHBondContact O-N 3.39Å; E20-T24 PolarHBondContact O-OG1 2.74Å; V21-T24 PolarHBondContact O-N 3.2Å; T24-H27 PolarHBondContact O-N 3.16Å; T24-N28 WeakPolarHBondContact O-CB 3.39Å; T24-N28 PolarHBondContact O-N 2.92Å; T24-L38 HydrophobicContact CG2-CD2 4.49Å; T24-K43 PolarHBondContact OG1-NZ 2.93Å
25E97.9Very high97.4Very high80 Ų8046.1 Ų46.137%0.37422%0.221SC..Hα-helixtrans-60-47.9175.3173.758.8-16300111.9V21 Y23 H27 N28 R29 L82V21-E25 WeakPolarHBondContact O-CB 3.49Å; V21-E25 PolarHBondContact O-N 3.02Å; Y23-E25 PolarHBondContact O-N 3.38Å; E25-H27 PolarHBondContact O-N 2.91Å; E25-N28 PolarHBondContact O-N 3.49Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 3.47Å; E25-R29 IonicContact OE1-CZ 3.61Å; E25-R29 IonicContact OE1-NE 2.87Å; E25-R29 PolarHBondContact OE1-NE 2.86Å; E25-R29 IonicContact OE1-NH2 3.53Å; E25-L82 HydrophobicContact CB-CD1 4.19Å; E25-L82 HydrophobicContact CG-CD1 3.8Å; E25-L82 HydrophobicContact CG-CD2 3.97Å
26A98Very high97.4Very high0 Ų049.4 Ų49.40%024%0.235CC..Hα-helixtrans-60.6-44.1178.800000112.5Q22 Y23 R29 L30 M75 L79 L82Q22-A26 WeakPolarHBondContact O-CB 3.38Å; Q22-A26 PolarHBondContact O-N 3.01Å; Y23-A26 PolarHBondContact O-N 3.1Å; A26-R29 PolarHBondContact O-N 3.21Å; A26-L30 PolarHBondContact O-N 3.34Å; A26-L30 VanDerWaalsContact O-N 3.16Å; A26-M75 HydrophobicContact CB-CE 3.56Å; A26-M75 HydrophobicContact CB-SD 4.25Å; A26-L79 HydrophobicContact CB-CD2 3.52Å; A26-L79 HydrophobicContact CB-CG 4.05Å; A26-L82 HydrophobicContact CB-CD1 3.89Å
27H98.2Very high97.4Very high11 Ų1155.8 Ų55.85%0.05127%0.265CS..Hα-helixtrans-62-44.5175.3-70109.9000111Y23 T24 E25 R29 L30 L31 L38 M46 Y55 M75Y23-H27 PolarHBondContact O-N 3.17Å; Y23-H27 PolarHBondContact O-ND1 2.83Å; T24-H27 PolarHBondContact O-N 3.16Å; E25-H27 PolarHBondContact O-N 2.91Å; H27-R29 VanDerWaalsContact C-N 3.35Å; H27-R29 PolarHBondContact O-N 3.22Å; H27-L30 PolarHBondContact O-N 3.47Å; H27-L31 HydrophobicContact CB-CD1 4.48Å; H27-L31 WeakPolarHBondContact O-CB 3.36Å; H27-L31 WeakPolarHBondContact O-CG 3.37Å; H27-L31 PolarHBondContact O-N 3.4Å; H27-L38 HydrophobicContact CB-CB 4.22Å; H27-L38 HydrophobicContact CB-CD1 4.44Å; H27-L38 HydrophobicContact CB-CD2 3.88Å; H27-L38 HydrophobicContact CB-CG 4.41Å; H27-M46 VanDerWaalsContact NE2-CE 3.34Å; H27-M46 WeakPolarHBondContact NE2-CE 3.46Å; H27-Y55 AromaticContact NE2-CE1 3.87Å; H27-M75 VanDerWaalsContact CD2-CE 3.47Å; H27-M75 WeakPolarHBondContact CD2-CE 3.12Å; H27-M75 WeakPolarHBondContact NE2-CE 3.32Å
28N98.4Very high97.3Very high37 Ų3756.8 Ų56.820%0.19827%0.27CS..Hα-helixtrans-65.2-35.7178.9-77.9-15.1000112.5T24 E25 L30 L31 K32 E37 L38T24-N28 WeakPolarHBondContact O-CB 3.39Å; T24-N28 PolarHBondContact O-N 2.92Å; E25-N28 PolarHBondContact O-N 3.49Å; N28-L30 VanDerWaalsContact C-N 3.35Å; N28-L30 PolarHBondContact O-N 3.19Å; N28-L31 PolarHBondContact O-N 3.09Å; N28-K32 WeakPolarHBondContact O-CB 3.4Å; N28-K32 PolarHBondContact O-N 2.91Å; N28-E37 WeakPolarHBondContact OD1-CG 3.49Å; N28-L38 WeakPolarHBondContact OD1-CB 3.43Å; N28-L38 PolarHBondContact OD1-N 2.97Å
29R98.2Very high97.3Very high71 Ų7157.1 Ų57.127%0.26828%0.275SS..Hα-helixtrans-59.9-43.6171.4-72-179.2-176.3-162.56112E25 A26 H27 Y78 E81E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 3.47Å; E25-R29 IonicContact OE1-CZ 3.61Å; E25-R29 IonicContact OE1-NE 2.87Å; E25-R29 PolarHBondContact OE1-NE 2.86Å; E25-R29 IonicContact OE1-NH2 3.53Å; A26-R29 PolarHBondContact O-N 3.21Å; H27-R29 VanDerWaalsContact C-N 3.35Å; H27-R29 PolarHBondContact O-N 3.22Å; R29-Y78 HydrophobicContact CB-CD1 4.35Å; R29-Y78 HydrophobicContact CB-CD2 4.11Å; R29-Y78 HydrophobicContact CB-CE1 4.26Å; R29-Y78 HydrophobicContact CB-CE2 4.03Å; R29-Y78 HydrophobicContact CB-CG 4.29Å; R29-E81 IonicContact CZ-OE1 3.01Å; R29-E81 IonicContact NH1-OE1 2.77Å; R29-E81 PolarHBondContact NH1-OE1 3.32Å; R29-E81 IonicContact NH1-OE2 3.21Å; R29-E81 PolarHBondContact NH1-OE2 3.46Å; R29-E81 IonicContact NH2-OE1 3.67Å; R29-E81 PolarHBondContact NH2-OE1 2.92Å
30L98.3Very high97.3Very high0 Ų059.9 Ų59.90%029%0.285CS..Hα-helixtrans-66.6-49.7176-175150000111.5A26 H27 N28 K32 K33 L64 M66 V71 E74 M75 Y78A26-L30 PolarHBondContact O-N 3.34Å; A26-L30 VanDerWaalsContact O-N 3.16Å; H27-L30 PolarHBondContact O-N 3.47Å; N28-L30 VanDerWaalsContact C-N 3.35Å; N28-L30 PolarHBondContact O-N 3.19Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.98Å; L30-K33 WeakPolarHBondContact O-CB 3.24Å; L30-K33 PolarHBondContact O-N 2.83Å; L30-L64 HydrophobicContact CD2-CD1 3.79Å; L30-M66 HydrophobicContact CD1-CE 4.4Å; L30-M66 HydrophobicContact CD1-SD 4.37Å; L30-M66 HydrophobicContact CD2-SD 4.09Å; L30-M66 HydrophobicContact CG-SD 4.31Å; L30-V71 HydrophobicContact CD1-CB 4.36Å; L30-V71 HydrophobicContact CD1-CG1 3.95Å; L30-V71 HydrophobicContact CD1-CG2 4.32Å; L30-E74 HydrophobicContact CD1-CB 4.12Å; L30-M75 HydrophobicContact CB-SD 4.17Å; L30-M75 HydrophobicContact CD1-CG 3.86Å; L30-M75 HydrophobicContact CD1-SD 3.92Å; L30-Y78 HydrophobicContact CB-CE2 4.13Å
31L98.3Very high97.3Very high0 Ų063.4 Ų63.40%031%0.305CS..Hα-helixtrans-68.2-29.5-174.4-68.9171.6000113.1H27 N28 K33 Y34 N35 K36 L38 L58 M62 L64H27-L31 HydrophobicContact CB-CD1 4.48Å; H27-L31 WeakPolarHBondContact O-CB 3.36Å; H27-L31 WeakPolarHBondContact O-CG 3.37Å; H27-L31 PolarHBondContact O-N 3.4Å; N28-L31 PolarHBondContact O-N 3.09Å; L31-K33 PolarHBondContact O-N 2.84Å; L31-Y34 CarbonylContact O-C 3.53Å; L31-Y34 WeakPolarHBondContact O-CA 3.36Å; L31-Y34 PolarHBondContact O-N 3.4Å; L31-N35 PolarHBondContact O-N 3.05Å; L31-K36 CarbonylContact C-O 3.23Å; L31-K36 VanDerWaalsContact C-O 3.23Å; L31-K36 HydrophobicContact CB-CB 4.04Å; L31-K36 VanDerWaalsContact CB-O 3.28Å; L31-K36 WeakPolarHBondContact CB-O 3.49Å; L31-K36 HydrophobicContact CD2-CB 4.27Å; L31-K36 PolarHBondContact O-N 2.92Å; L31-K36 VanDerWaalsContact O-N 3.07Å; L31-L38 HydrophobicContact CD1-CB 3.8Å; L31-L38 HydrophobicContact CD1-CD1 4.37Å; L31-L38 VanDerWaalsContact CD1-N 3.29Å; L31-L58 HydrophobicContact CD1-CD1 4.34Å; L31-L58 HydrophobicContact CD2-CD1 4.38Å; L31-M62 HydrophobicContact CD1-CE 4.17Å; L31-M62 HydrophobicContact CD2-CB 3.98Å; L31-M62 HydrophobicContact CD2-CE 4.17Å; L31-M62 HydrophobicContact CD2-CG 4.01Å; L31-L64 HydrophobicContact CD2-CD1 3.92Å; L31-L64 HydrophobicContact CD2-CD2 3.67Å; L31-L64 HydrophobicContact CD2-CG 4.33Å
32K97.8Very high97.4Very high162 Ų16259.9 Ų59.970%0.70428%0.284SS*.Hα-helixtrans-58-29.5176.4-173.9173.4-176.51760112.9N28 L30 Y34 N35 K36N28-K32 WeakPolarHBondContact O-CB 3.4Å; N28-K32 PolarHBondContact O-N 2.91Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.98Å; K32-Y34 PolarHBondContact O-N 3.09Å; K32-Y34 VanDerWaalsContact O-N 3.11Å; K32-N35 PolarHBondContact O-N 3.21Å; K32-N35 VanDerWaalsContact O-N 3.11Å; K32-K36 PolarHBondContact N-O 3.08Å
33K96.7Very high97.3Very high110 Ų11059.9 Ų59.948%0.47828%0.283SS..THydrogen-bonded Turntrans-59.7-21.2173.8-62.3-178.1176.5-175.80113.2L30 L31 E74 Y78L30-K33 WeakPolarHBondContact O-CB 3.24Å; L30-K33 PolarHBondContact O-N 2.83Å; L31-K33 PolarHBondContact O-N 2.84Å; K33-E74 WeakPolarHBondContact CE-OE2 3.41Å; K33-E74 IonicContact NZ-OE1 2.66Å; K33-E74 PolarHBondContact NZ-OE1 2.79Å; K33-E74 IonicContact NZ-OE2 2.89Å; K33-E74 PolarHBondContact NZ-OE2 2.84Å; K33-Y78 WeakPolarHBondContact CE-OH 3.13Å; K33-Y78 PolarHBondContact NZ-OH 2.88Å
34Y97.4Very high97.2Very high70 Ų7060.7 Ų60.728%0.27529%0.294SS..THydrogen-bonded Turntrans-115.914.7-178.2-54.9-70.8000112.4L31 K32 K36 L64 P65 M66L31-Y34 CarbonylContact O-C 3.53Å; L31-Y34 WeakPolarHBondContact O-CA 3.36Å; L31-Y34 PolarHBondContact O-N 3.4Å; K32-Y34 PolarHBondContact O-N 3.09Å; K32-Y34 VanDerWaalsContact O-N 3.11Å; Y34-K36 VanDerWaalsContact C-N 3.26Å; Y34-K36 PolarHBondContact O-N 2.77Å; Y34-L64 HydrophobicContact CD2-CD2 3.89Å; Y34-L64 HydrophobicContact CE2-CD2 4.48Å; Y34-L64 HydrophobicContact CG-CD2 4.32Å; Y34-P65 HydrophobicContact CD1-CG 3.76Å; Y34-P65 HydrophobicContact CE1-CG 3.22Å; Y34-M66 HydrophobicContact CE2-CG 4.18Å; Y34-M66 HydrophobicContact CE2-SD 3.67Å; Y34-M66 WeakPolarHBondContact OH-CG 3.28Å; Y34-M66 PolarHBondContact OH-SD 3.25Å; Y34-M66 VanDerWaalsContact OH-SD 3.36Å
35N97.7Very high97Very high161 Ų16163 Ų6386%0.86130%0.3SS*.THydrogen-bonded Turntrans54.640.1-174.4-56.9-52.3000112.9L31 K32L31-N35 PolarHBondContact O-N 3.05Å; K32-N35 PolarHBondContact O-N 3.21Å; K32-N35 VanDerWaalsContact O-N 3.11Å
36K98.1Very high96.7Very high70 Ų7059.9 Ų59.930%0.30429%0.286SS..  trans-121.8160.9179.6-67.7173.9-172.4-179.20110.5L31 K32 Y34 M62 N63 L64L31-K36 CarbonylContact C-O 3.23Å; L31-K36 VanDerWaalsContact C-O 3.23Å; L31-K36 HydrophobicContact CB-CB 4.04Å; L31-K36 VanDerWaalsContact CB-O 3.28Å; L31-K36 WeakPolarHBondContact CB-O 3.49Å; L31-K36 HydrophobicContact CD2-CB 4.27Å; L31-K36 PolarHBondContact O-N 2.92Å; L31-K36 VanDerWaalsContact O-N 3.07Å; K32-K36 PolarHBondContact N-O 3.08Å; Y34-K36 VanDerWaalsContact C-N 3.26Å; Y34-K36 PolarHBondContact O-N 2.77Å; K36-M62 HydrophobicContact CB-CE 3.88Å; K36-M62 HydrophobicContact CD-CE 4.34Å; K36-M62 WeakPolarHBondContact CD-O 3.43Å; K36-M62 WeakPolarHBondContact CE-O 3.44Å; K36-M62 HydrophobicContact CG-CE 4.41Å; K36-M62 PolarHBondContact NZ-O 3.05Å; K36-N63 PolarHBondContact NZ-O 3.13Å; K36-L64 HydrophobicContact CD-CD2 4.1Å
37E97.5Very high96.2Very high134 Ų13460.7 Ų60.763%0.62629%0.29SS*.  trans-133.9147.5174.7-170.7176.8176.600109.3N28 T39 M62N28-E37 WeakPolarHBondContact OD1-CG 3.49Å; E37-T39 PolarHBondContact O-N 2.91Å; E37-M62 WeakPolarHBondContact O-CE 3.47Å
38L97.9Very high95.4Very high21 Ų2161.7 Ų61.711%0.1130%0.303CS..  trans-67.6120179.8-17768.6000109.8T24 H27 N28 L31 V42 K43 L58T24-L38 HydrophobicContact CG2-CD2 4.49Å; H27-L38 HydrophobicContact CB-CB 4.22Å; H27-L38 HydrophobicContact CB-CD1 4.44Å; H27-L38 HydrophobicContact CB-CD2 3.88Å; H27-L38 HydrophobicContact CB-CG 4.41Å; N28-L38 WeakPolarHBondContact OD1-CB 3.43Å; N28-L38 PolarHBondContact OD1-N 2.97Å; L31-L38 HydrophobicContact CD1-CB 3.8Å; L31-L38 HydrophobicContact CD1-CD1 4.37Å; L31-L38 VanDerWaalsContact CD1-N 3.29Å; L38-V42 HydrophobicContact CD1-CB 4.29Å; L38-V42 HydrophobicContact CD1-CG1 4.07Å; L38-K43 HydrophobicContact CD2-CB 4.14Å; L38-K43 HydrophobicContact CD2-CD 4.42Å; L38-K43 HydrophobicContact CD2-CG 4.44Å; L38-K43 HydrophobicContact CG-CB 4.3Å; L38-L58 HydrophobicContact CD1-CD1 3.88Å
39T96.3Very high94.7Very high67 Ų6765.1 Ų65.141%0.41131%0.313SS..  trans-88.4157.1175.367.80000111.4E37 D41 V42 K43E37-T39 PolarHBondContact O-N 2.91Å; T39-D41 VanDerWaalsContact C-N 3.28Å; T39-D41 PolarHBondContact O-N 2.88Å; T39-V42 PolarHBondContact O-N 2.95Å; T39-V42 WeakPolarHBondContact OG1-CG2 3.43Å; T39-V42 PolarHBondContact OG1-N 3.49Å; T39-K43 WeakPolarHBondContact O-CB 3.42Å; T39-K43 PolarHBondContact O-N 2.87Å
40W95.4Very high94Very high58 Ų5864.6 Ų64.622%0.2232%0.321CS..Hα-helixtrans-60.9-37.5173.2175.6-111.4000112.4V42 K43 S44 M47 D195 R197 V198W40-V42 VanDerWaalsContact C-N 3.28Å; W40-V42 PolarHBondContact O-N 3.22Å; W40-K43 HydrophobicContact CE3-CB 4.33Å; W40-K43 HydrophobicContact CE3-CD 4.04Å; W40-K43 HydrophobicContact CE3-CG 4.3Å; W40-K43 HydrophobicContact CZ3-CD 4.02Å; W40-K43 HydrophobicContact CZ3-CG 4.28Å; W40-K43 PolarHBondContact O-N 3.13Å; W40-S44 VanDerWaalsContact O-CB 3.3Å; W40-S44 WeakPolarHBondContact O-CB 3.45Å; W40-S44 PolarHBondContact O-N 3.08Å; W40-S44 PolarHBondContact O-OG 2.8Å; W40-M47 HydrophobicContact CH2-SD 3.81Å; W40-M47 HydrophobicContact CZ3-SD 4.17Å; W40-D195 HydrophobicContact CH2-CB 3.92Å; W40-D195 HydrophobicContact CZ3-CB 4.28Å; W40-R197 HydrophobicContact CD2-CB 3.85Å; W40-R197 HydrophobicContact CE3-CB 4.33Å; W40-R197 HydrophobicContact CG-CB 4.42Å; W40-R197 HydrophobicContact CH2-CB 4Å; W40-R197 HydrophobicContact CZ2-CB 3.48Å; W40-R197 VanDerWaalsContact CZ2-CB 3.48Å; W40-R197 HydrophobicContact CZ3-CB 4.39Å; W40-V198 HydrophobicContact CH2-CG2 4.14Å; W40-V198 HydrophobicContact CZ2-CG2 4.21Å
41D95.9Very high93.5Very high111 Ų11167.3 Ų67.359%0.59433%0.333SS*.Hα-helixtrans-61.4-37.9179.2-66.1-10.2000111.9T39 S44 K45T39-D41 VanDerWaalsContact C-N 3.28Å; T39-D41 PolarHBondContact O-N 2.88Å; D41-S44 PolarHBondContact O-OG 2.95Å; D41-S44 VanDerWaalsContact O-OG 3.14Å; D41-K45 WeakPolarHBondContact O-CD 3.4Å; D41-K45 VanDerWaalsContact O-CG 3.27Å; D41-K45 WeakPolarHBondContact O-CG 3.42Å
42V96.9Very high93.1Very high6 Ų671.5 Ų71.54%0.03636%0.356CS..Hα-helixtrans-77.5-43.8176.1177.90000110.8L38 T39 W40 S44 K45 M46 I57 L58 E61 M62L38-V42 HydrophobicContact CD1-CB 4.29Å; L38-V42 HydrophobicContact CD1-CG1 4.07Å; T39-V42 PolarHBondContact O-N 2.95Å; T39-V42 WeakPolarHBondContact OG1-CG2 3.43Å; T39-V42 PolarHBondContact OG1-N 3.49Å; W40-V42 VanDerWaalsContact C-N 3.28Å; W40-V42 PolarHBondContact O-N 3.22Å; V42-S44 PolarHBondContact O-N 3.38Å; V42-K45 PolarHBondContact O-N 2.65Å; V42-M46 HydrophobicContact CG1-SD 3.84Å; V42-M46 VanDerWaalsContact O-CG 3.31Å; V42-M46 WeakPolarHBondContact O-CG 3.31Å; V42-M46 PolarHBondContact O-N 3.36Å; V42-I57 HydrophobicContact CG1-CG2 4.47Å; V42-L58 HydrophobicContact CG1-CD1 4.16Å; V42-E61 HydrophobicContact CG1-CB 4.2Å; V42-E61 HydrophobicContact CG2-CB 3.58Å; V42-E61 HydrophobicContact CG2-CG 4.34Å; V42-M62 HydrophobicContact CB-SD 4.3Å; V42-M62 HydrophobicContact CG1-CG 4.2Å; V42-M62 HydrophobicContact CG1-SD 4.39Å; V42-M62 HydrophobicContact CG2-CG 4.39Å; V42-M62 HydrophobicContact CG2-SD 3.7Å
43K95.6Very high92.8Very high17 Ų1766.8 Ų66.87%0.07434%0.34CS..Hα-helixtrans-56.6-49.8177.4179.5173.7175.7166.70111.9E20 T24 L38 T39 W40 K45 M46 M47E20-K43 WeakPolarHBondContact OE2-CE 3.4Å; E20-K43 IonicContact OE2-NZ 2.63Å; E20-K43 PolarHBondContact OE2-NZ 3.48Å; T24-K43 PolarHBondContact OG1-NZ 2.93Å; L38-K43 HydrophobicContact CD2-CB 4.14Å; L38-K43 HydrophobicContact CD2-CD 4.42Å; L38-K43 HydrophobicContact CD2-CG 4.44Å; L38-K43 HydrophobicContact CG-CB 4.3Å; T39-K43 WeakPolarHBondContact O-CB 3.42Å; T39-K43 PolarHBondContact O-N 2.87Å; W40-K43 HydrophobicContact CE3-CB 4.33Å; W40-K43 HydrophobicContact CE3-CD 4.04Å; W40-K43 HydrophobicContact CE3-CG 4.3Å; W40-K43 HydrophobicContact CZ3-CD 4.02Å; W40-K43 HydrophobicContact CZ3-CG 4.28Å; W40-K43 PolarHBondContact O-N 3.13Å; K43-K45 VanDerWaalsContact C-N 3.29Å; K43-K45 PolarHBondContact O-N 3.35Å; K43-M46 WeakPolarHBondContact O-CA 3.35Å; K43-M46 WeakPolarHBondContact O-CB 3.41Å; K43-M46 PolarHBondContact O-N 3.32Å; K43-M47 WeakPolarHBondContact O-CG 3.4Å; K43-M47 PolarHBondContact O-N 3.13Å; K43-M47 VanDerWaalsContact O-N 3.14Å
44S93.5Very high92.7Very high49 Ų4962 Ų6234%0.34332%0.321SS..Hα-helixtrans-61.5-35.6-178.8610000112.4W40 D41 V42 M46W40-S44 VanDerWaalsContact O-CB 3.3Å; W40-S44 WeakPolarHBondContact O-CB 3.45Å; W40-S44 PolarHBondContact O-N 3.08Å; W40-S44 PolarHBondContact O-OG 2.8Å; D41-S44 PolarHBondContact O-OG 2.95Å; D41-S44 VanDerWaalsContact O-OG 3.14Å; V42-S44 PolarHBondContact O-N 3.38Å; S44-M46 VanDerWaalsContact C-N 3.26Å; S44-M46 PolarHBondContact O-N 3.33Å
45K92.4Very high92.6Very high87 Ų8759 Ų5938%0.37831%0.309SS..Hα-helixtrans-65.1-27.7172.4-71.1172.3-177.5-176.10113D41 V42 K43 R49 I57 E61D41-K45 WeakPolarHBondContact O-CD 3.4Å; D41-K45 VanDerWaalsContact O-CG 3.27Å; D41-K45 WeakPolarHBondContact O-CG 3.42Å; V42-K45 PolarHBondContact O-N 2.65Å; K43-K45 VanDerWaalsContact C-N 3.29Å; K43-K45 PolarHBondContact O-N 3.35Å; K45-R49 VanDerWaalsContact O-CD 3.29Å; K45-R49 WeakPolarHBondContact O-CD 3.39Å; K45-R49 PolarHBondContact O-NE 3.15Å; K45-I57 HydrophobicContact CB-CD1 4.43Å; K45-I57 HydrophobicContact CB-CG2 3.85Å; K45-I57 HydrophobicContact CD-CG2 4.47Å; K45-I57 WeakPolarHBondContact O-CD1 3.29Å; K45-E61 HydrophobicContact CD-CG 4.32Å; K45-E61 IonicContact NZ-OE1 2.95Å; K45-E61 PolarHBondContact NZ-OE1 2.74Å; K45-E61 IonicContact NZ-OE2 3.22Å; K45-E61 PolarHBondContact NZ-OE2 2.77Å
46M93.1Very high92.6Very high16 Ų1655.3 Ų55.38%0.07929%0.287CS..Hα-helixtrans-86.4-27.4-177.8-66.8168.262.800114H27 V42 K43 S44 R49 A54 I57 L58H27-M46 VanDerWaalsContact NE2-CE 3.34Å; H27-M46 WeakPolarHBondContact NE2-CE 3.46Å; V42-M46 HydrophobicContact CG1-SD 3.84Å; V42-M46 VanDerWaalsContact O-CG 3.31Å; V42-M46 WeakPolarHBondContact O-CG 3.31Å; V42-M46 PolarHBondContact O-N 3.36Å; K43-M46 WeakPolarHBondContact O-CA 3.35Å; K43-M46 WeakPolarHBondContact O-CB 3.41Å; K43-M46 PolarHBondContact O-N 3.32Å; S44-M46 VanDerWaalsContact C-N 3.26Å; S44-M46 PolarHBondContact O-N 3.33Å; M46-R49 WeakPolarHBondContact O-CB 3.18Å; M46-R49 PolarHBondContact O-N 3.3Å; M46-A54 HydrophobicContact CB-CB 3.99Å; M46-A54 HydrophobicContact CE-CB 3.97Å; M46-A54 HydrophobicContact CG-CB 4.17Å; M46-I57 HydrophobicContact CG-CB 4.1Å; M46-I57 HydrophobicContact CG-CG2 3.85Å; M46-L58 HydrophobicContact CE-CB 4.2Å; M46-L58 HydrophobicContact CE-CD1 4.49Å; M46-L58 HydrophobicContact SD-CB 4.09Å; M46-L58 HydrophobicContact SD-CD1 4.14Å
47M87.7Confident92.6Very high17 Ų1753.4 Ų53.48%0.08428%0.28CS..THydrogen-bonded Turntrans-55139.3-173.2-72.8176.171.800113.7W40 K43 R49 N178W40-M47 HydrophobicContact CH2-SD 3.81Å; W40-M47 HydrophobicContact CZ3-SD 4.17Å; K43-M47 WeakPolarHBondContact O-CG 3.4Å; K43-M47 PolarHBondContact O-N 3.13Å; K43-M47 VanDerWaalsContact O-N 3.14Å; M47-R49 PolarHBondContact O-N 3.05Å; M47-R49 VanDerWaalsContact O-N 3.12Å; M47-N178 PolarHBondContact O-ND2 2.86Å
48G79.9Confident92.6Very high31 Ų3147 Ų4732%0.3225%0.25SS..THydrogen-bonded Turntrans65.67.7177.700000115.5
49R84.5Confident92.7Very high109 Ų10946.8 Ų46.841%0.41125%0.25SC..SBendtrans-97.2162.1177.8-58.7-174.7-179.2-88.7-0.6111.6K45 M46 M47 V53K45-R49 VanDerWaalsContact O-CD 3.29Å; K45-R49 WeakPolarHBondContact O-CD 3.39Å; K45-R49 PolarHBondContact O-NE 3.15Å; M46-R49 WeakPolarHBondContact O-CB 3.18Å; M46-R49 PolarHBondContact O-N 3.3Å; M47-R49 PolarHBondContact O-N 3.05Å; M47-R49 VanDerWaalsContact O-N 3.12Å; R49-V53 HydrophobicContact CB-CB 4.32Å; R49-V53 HydrophobicContact CB-CG1 4.4Å
50S83.6Confident92.7Very high61 Ų6148 Ų4843%0.42725%0.254SS..  trans-62.7151.5169.571.80000111.1N52 V53 A54S50-N52 PolarHBondContact O-N 3.26Å; S50-V53 PolarHBondContact O-N 2.91Å; S50-V53 VanDerWaalsContact O-N 3.08Å; S50-V53 WeakPolarHBondContact OG-CG2 3.4Å; S50-A54 WeakPolarHBondContact O-CB 3.39Å; S50-A54 PolarHBondContact O-N 3.03Å
51Q87.7Confident92.9Very high56 Ų5649.5 Ų49.526%0.26226%0.263SS..Hα-helixtrans-54.6-39.3-179.4-69.7-175.4-3.500112.9V53 A54 Y55Q51-V53 VanDerWaalsContact C-N 3.35Å; Q51-V53 PolarHBondContact O-N 3.16Å; Q51-A54 PolarHBondContact O-N 3.22Å; Q51-Y55 HydrophobicContact CB-CD2 4.3Å; Q51-Y55 HydrophobicContact CB-CE2 3.96Å; Q51-Y55 WeakPolarHBondContact O-CB 3.44Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.04Å; Q51-Y55 VanDerWaalsContact O-CG 3.25Å; Q51-Y55 PolarHBondContact O-N 2.96Å
52N90.2Very high92.9Very high89 Ų8945.1 Ų45.148%0.47624%0.239SC..Hα-helixtrans-59.1-46.9178.5-66.6-7000111.6S50 Q56 K72S50-N52 PolarHBondContact O-N 3.26Å; N52-Q56 WeakPolarHBondContact O-CB 3.24Å; N52-Q56 PolarHBondContact O-N 3.12Å; N52-K72 WeakPolarHBondContact OD1-CE 3.44Å; N52-K72 PolarHBondContact OD1-NZ 3.13Å
53V91.4Very high92.9Very high62 Ų6251 Ų5138%0.37627%0.27SS..Hα-helixtrans-70.9-43-179.4-179.30000110.3R49 S50 Q51 Y55 Q56 I57R49-V53 HydrophobicContact CB-CB 4.32Å; R49-V53 HydrophobicContact CB-CG1 4.4Å; S50-V53 PolarHBondContact O-N 2.91Å; S50-V53 VanDerWaalsContact O-N 3.08Å; S50-V53 WeakPolarHBondContact OG-CG2 3.4Å; Q51-V53 VanDerWaalsContact C-N 3.35Å; Q51-V53 PolarHBondContact O-N 3.16Å; V53-Y55 PolarHBondContact O-N 3.04Å; V53-Q56 PolarHBondContact O-N 3.4Å; V53-I57 HydrophobicContact CG1-CD1 4.12Å; V53-I57 WeakPolarHBondContact O-CG1 3.05Å; V53-I57 PolarHBondContact O-N 2.99Å
54A93.4Very high93Very high10 Ų1050.8 Ų50.88%0.08327%0.27CS..Hα-helixtrans-59.4-45.7177.500000112M46 S50 Q51 I57 L58M46-A54 HydrophobicContact CB-CB 3.99Å; M46-A54 HydrophobicContact CE-CB 3.97Å; M46-A54 HydrophobicContact CG-CB 4.17Å; S50-A54 WeakPolarHBondContact O-CB 3.39Å; S50-A54 PolarHBondContact O-N 3.03Å; Q51-A54 PolarHBondContact O-N 3.22Å; A54-I57 WeakPolarHBondContact O-CB 3.29Å; A54-I57 PolarHBondContact O-N 2.63Å; A54-L58 PolarHBondContact O-N 2.81Å
55Y96.7Very high93.2Very high6 Ų653 Ų532%0.02428%0.283CS..Hα-helixtrans-71-31.4177.4-63.8-31.7000113.2H27 Q51 V53 I57 L58 V59 V71 K72 M75H27-Y55 AromaticContact NE2-CE1 3.87Å; Q51-Y55 HydrophobicContact CB-CD2 4.3Å; Q51-Y55 HydrophobicContact CB-CE2 3.96Å; Q51-Y55 WeakPolarHBondContact O-CB 3.44Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.04Å; Q51-Y55 VanDerWaalsContact O-CG 3.25Å; Q51-Y55 PolarHBondContact O-N 2.96Å; V53-Y55 PolarHBondContact O-N 3.04Å; Y55-I57 VanDerWaalsContact C-N 3.32Å; Y55-L58 PolarHBondContact O-N 2.89Å; Y55-V59 VanDerWaalsContact O-CG2 3.32Å; Y55-V59 WeakPolarHBondContact O-CG2 3.29Å; Y55-V59 PolarHBondContact O-N 3.17Å; Y55-V71 HydrophobicContact CD1-CG1 3.71Å; Y55-V71 HydrophobicContact CD2-CG1 4.3Å; Y55-V71 HydrophobicContact CE1-CG1 4.29Å; Y55-V71 HydrophobicContact CG-CG1 3.72Å; Y55-K72 HydrophobicContact CD2-CB 4.43Å; Y55-K72 HydrophobicContact CD2-CG 3.46Å; Y55-K72 VanDerWaalsContact CD2-CG 3.46Å; Y55-K72 HydrophobicContact CE2-CB 4.38Å; Y55-K72 HydrophobicContact CE2-CG 3.7Å; Y55-M75 HydrophobicContact CE1-CB 4.21Å; Y55-M75 HydrophobicContact CE1-CE 4.17Å; Y55-M75 HydrophobicContact CE1-CG 3.8Å; Y55-M75 HydrophobicContact CE2-CB 4.47Å; Y55-M75 WeakPolarHBondContact OH-CB 3.46Å
56Q97.7Very high93.4Very high85 Ų8549.5 Ų49.540%0.39727%0.268SS..Hα-helixtrans-63.3-41171.6-173.262.372.700111.5N52 V53 N60 V68N52-Q56 WeakPolarHBondContact O-CB 3.24Å; N52-Q56 PolarHBondContact O-N 3.12Å; V53-Q56 PolarHBondContact O-N 3.4Å; Q56-N60 PolarHBondContact NE2-ND2 2.66Å; Q56-N60 PolarHBondContact NE2-OD1 2.95Å; Q56-N60 WeakPolarHBondContact O-CB 3.39Å; Q56-N60 PolarHBondContact O-N 3.03Å; Q56-N60 VanDerWaalsContact O-N 3.09Å; Q56-N60 PolarHBondContact O-ND2 2.83Å; Q56-N60 PolarHBondContact O-OD1 3.05Å; Q56-V68 HydrophobicContact CB-CG2 3.99Å; Q56-V68 HydrophobicContact CG-CG2 4.5Å; Q56-V68 VanDerWaalsContact OE1-CG2 3.29Å
57I97.4Very high93.6Very high30 Ų3052.6 Ų52.615%0.15429%0.288CS..Hα-helixtrans-61.8-48.5173.5-68.6167000110V42 K45 M46 V53 A54 Y55 V59 N60 E61V42-I57 HydrophobicContact CG1-CG2 4.47Å; K45-I57 HydrophobicContact CB-CD1 4.43Å; K45-I57 HydrophobicContact CB-CG2 3.85Å; K45-I57 HydrophobicContact CD-CG2 4.47Å; K45-I57 WeakPolarHBondContact O-CD1 3.29Å; M46-I57 HydrophobicContact CG-CB 4.1Å; M46-I57 HydrophobicContact CG-CG2 3.85Å; V53-I57 HydrophobicContact CG1-CD1 4.12Å; V53-I57 WeakPolarHBondContact O-CG1 3.05Å; V53-I57 PolarHBondContact O-N 2.99Å; A54-I57 WeakPolarHBondContact O-CB 3.29Å; A54-I57 PolarHBondContact O-N 2.63Å; Y55-I57 VanDerWaalsContact C-N 3.32Å; I57-V59 PolarHBondContact O-N 2.84Å; I57-N60 PolarHBondContact O-N 3.35Å; I57-E61 HydrophobicContact CG2-CG 3.8Å; I57-E61 VanDerWaalsContact O-CB 3.31Å; I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 VanDerWaalsContact O-CG 3.27Å; I57-E61 WeakPolarHBondContact O-CG 3.39Å; I57-E61 PolarHBondContact O-N 2.84Å
58L98.3Very high94.1Very high0 Ų052.7 Ų52.70%029%0.29CS..Hα-helixtrans-55.5-49.6178.3-174.674.8000111.8L31 L38 V42 M46 A54 Y55 N60 M62 L64 V71L31-L58 HydrophobicContact CD1-CD1 4.34Å; L31-L58 HydrophobicContact CD2-CD1 4.38Å; L38-L58 HydrophobicContact CD1-CD1 3.88Å; V42-L58 HydrophobicContact CG1-CD1 4.16Å; M46-L58 HydrophobicContact CE-CB 4.2Å; M46-L58 HydrophobicContact CE-CD1 4.49Å; M46-L58 HydrophobicContact SD-CB 4.09Å; M46-L58 HydrophobicContact SD-CD1 4.14Å; A54-L58 PolarHBondContact O-N 2.81Å; Y55-L58 PolarHBondContact O-N 2.89Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.01Å; L58-M62 HydrophobicContact CD1-CG 3.9Å; L58-M62 WeakPolarHBondContact O-CB 3.31Å; L58-M62 WeakPolarHBondContact O-CG 3.17Å; L58-M62 PolarHBondContact O-N 2.94Å; L58-L64 HydrophobicContact CD2-CD1 4.27Å; L58-L64 HydrophobicContact CG-CD1 4.08Å; L58-V71 HydrophobicContact CD2-CG1 4.06Å
59V98.2Very high94.9Very high16 Ų1656.9 Ų56.910%0.09730%0.301CS..Hα-helixtrans-59-46.5179.4168.40000111.3Y55 I57 N63 L64 M66 V68 V71Y55-V59 VanDerWaalsContact O-CG2 3.32Å; Y55-V59 WeakPolarHBondContact O-CG2 3.29Å; Y55-V59 PolarHBondContact O-N 3.17Å; I57-V59 PolarHBondContact O-N 2.84Å; V59-N63 WeakPolarHBondContact O-CA 3.48Å; V59-N63 PolarHBondContact O-N 2.97Å; V59-N63 VanDerWaalsContact O-N 3.11Å; V59-L64 PolarHBondContact O-N 3.13Å; V59-M66 VanDerWaalsContact CG1-O 3.3Å; V59-M66 WeakPolarHBondContact CG1-O 3.33Å; V59-V68 HydrophobicContact CG2-CG2 4.41Å; V59-V71 HydrophobicContact CG2-CG2 3.65Å
60N98Very high95.6Very high93 Ų9356.4 Ų56.450%0.49730%0.303SS..Hα-helixtrans-71.3-54.9-175.6-67.6-7.2000111.7Q56 I57 L58 M62 N63Q56-N60 PolarHBondContact NE2-ND2 2.66Å; Q56-N60 PolarHBondContact NE2-OD1 2.95Å; Q56-N60 WeakPolarHBondContact O-CB 3.39Å; Q56-N60 PolarHBondContact O-N 3.03Å; Q56-N60 VanDerWaalsContact O-N 3.09Å; Q56-N60 PolarHBondContact O-ND2 2.83Å; Q56-N60 PolarHBondContact O-OD1 3.05Å; I57-N60 PolarHBondContact O-N 3.35Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.01Å; N60-M62 VanDerWaalsContact C-N 3.35Å; N60-M62 PolarHBondContact O-N 2.79Å; N60-N63 PolarHBondContact O-N 3.14Å; N60-N63 VanDerWaalsContact O-N 3.15Å
61E97.9Very high96.3Very high88 Ų8853.5 Ų53.541%0.41128%0.283SS..Hα-helixtrans-68.9-35.4-174-62.7-75.8166.300111.8V42 K45 I57 N63V42-E61 HydrophobicContact CG1-CB 4.2Å; V42-E61 HydrophobicContact CG2-CB 3.58Å; V42-E61 HydrophobicContact CG2-CG 4.34Å; K45-E61 HydrophobicContact CD-CG 4.32Å; K45-E61 IonicContact NZ-OE1 2.95Å; K45-E61 PolarHBondContact NZ-OE1 2.74Å; K45-E61 IonicContact NZ-OE2 3.22Å; K45-E61 PolarHBondContact NZ-OE2 2.77Å; I57-E61 HydrophobicContact CG2-CG 3.8Å; I57-E61 VanDerWaalsContact O-CB 3.31Å; I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 VanDerWaalsContact O-CG 3.27Å; I57-E61 WeakPolarHBondContact O-CG 3.39Å; I57-E61 PolarHBondContact O-N 2.84Å; E61-N63 VanDerWaalsContact C-N 3.32Å
62M97.3Very high96.7Very high19 Ų1953 Ų539%0.09428%0.28CS..THydrogen-bonded Turntrans-89.14.4176.3-55.7-59.9-66.500112.5L31 K36 E37 V42 L58 N60 L64L31-M62 HydrophobicContact CD1-CE 4.17Å; L31-M62 HydrophobicContact CD2-CB 3.98Å; L31-M62 HydrophobicContact CD2-CE 4.17Å; L31-M62 HydrophobicContact CD2-CG 4.01Å; K36-M62 HydrophobicContact CB-CE 3.88Å; K36-M62 HydrophobicContact CD-CE 4.34Å; K36-M62 WeakPolarHBondContact CD-O 3.43Å; K36-M62 WeakPolarHBondContact CE-O 3.44Å; K36-M62 HydrophobicContact CG-CE 4.41Å; K36-M62 PolarHBondContact NZ-O 3.05Å; E37-M62 WeakPolarHBondContact O-CE 3.47Å; V42-M62 HydrophobicContact CB-SD 4.3Å; V42-M62 HydrophobicContact CG1-CG 4.2Å; V42-M62 HydrophobicContact CG1-SD 4.39Å; V42-M62 HydrophobicContact CG2-CG 4.39Å; V42-M62 HydrophobicContact CG2-SD 3.7Å; L58-M62 HydrophobicContact CD1-CG 3.9Å; L58-M62 WeakPolarHBondContact O-CB 3.31Å; L58-M62 WeakPolarHBondContact O-CG 3.17Å; L58-M62 PolarHBondContact O-N 2.94Å; N60-M62 VanDerWaalsContact C-N 3.35Å; N60-M62 PolarHBondContact O-N 2.79Å; M62-L64 HydrophobicContact CB-CD1 4.39Å; M62-L64 HydrophobicContact CB-CD2 3.88Å; M62-L64 HydrophobicContact CB-CG 3.89Å; M62-L64 PolarHBondContact O-N 3.45Å
63N96.7Very high97Very high129 Ų12957 Ų5769%0.6929%0.293SS*.THydrogen-bonded Turntrans45.456.2-178.9-65.5-71.1000112.5K36 V59 N60 E61K36-N63 PolarHBondContact NZ-O 3.13Å; V59-N63 WeakPolarHBondContact O-CA 3.48Å; V59-N63 PolarHBondContact O-N 2.97Å; V59-N63 VanDerWaalsContact O-N 3.11Å; N60-N63 PolarHBondContact O-N 3.14Å; N60-N63 VanDerWaalsContact O-N 3.15Å; E61-N63 VanDerWaalsContact C-N 3.32Å
64L97.5Very high97.3Very high13 Ų1356.7 Ų56.77%0.06829%0.288CS..  trans-86.6137.2-177-57.4-178.9000111L30 L31 Y34 K36 L58 V59 M62 M66L30-L64 HydrophobicContact CD2-CD1 3.79Å; L31-L64 HydrophobicContact CD2-CD1 3.92Å; L31-L64 HydrophobicContact CD2-CD2 3.67Å; L31-L64 HydrophobicContact CD2-CG 4.33Å; Y34-L64 HydrophobicContact CD2-CD2 3.89Å; Y34-L64 HydrophobicContact CE2-CD2 4.48Å; Y34-L64 HydrophobicContact CG-CD2 4.32Å; K36-L64 HydrophobicContact CD-CD2 4.1Å; L58-L64 HydrophobicContact CD2-CD1 4.27Å; L58-L64 HydrophobicContact CG-CD1 4.08Å; V59-L64 PolarHBondContact O-N 3.13Å; M62-L64 HydrophobicContact CB-CD1 4.39Å; M62-L64 HydrophobicContact CB-CD2 3.88Å; M62-L64 HydrophobicContact CB-CG 3.89Å; M62-L64 PolarHBondContact O-N 3.45Å; L64-M66 HydrophobicContact CB-CB 4.46Å; L64-M66 PolarHBondContact O-N 3.29Å
65P97.4Very high97.5Very high95 Ų9556.2 Ų56.262%0.61728%0.284SS*.SBendtrans-8149172.837.2-37.1000110.6Y34Y34-P65 HydrophobicContact CD1-CG 3.76Å; Y34-P65 HydrophobicContact CE1-CG 3.22Å
66M97.5Very high97.4Very high15 Ų1557.1 Ų57.17%0.07429%0.291CS..SBendtrans-133.9145.7-178.8-64.1-178.278.900110.2L30 Y34 V59 L64 Q70 V71 E74L30-M66 HydrophobicContact CD1-CE 4.4Å; L30-M66 HydrophobicContact CD1-SD 4.37Å; L30-M66 HydrophobicContact CD2-SD 4.09Å; L30-M66 HydrophobicContact CG-SD 4.31Å; Y34-M66 HydrophobicContact CE2-CG 4.18Å; Y34-M66 HydrophobicContact CE2-SD 3.67Å; Y34-M66 WeakPolarHBondContact OH-CG 3.28Å; Y34-M66 PolarHBondContact OH-SD 3.25Å; Y34-M66 VanDerWaalsContact OH-SD 3.36Å; V59-M66 VanDerWaalsContact CG1-O 3.3Å; V59-M66 WeakPolarHBondContact CG1-O 3.33Å; L64-M66 HydrophobicContact CB-CB 4.46Å; L64-M66 PolarHBondContact O-N 3.29Å; M66-Q70 HydrophobicContact CB-CB 4.3Å; M66-Q70 HydrophobicContact CE-CB 3.75Å; M66-V71 HydrophobicContact CB-CG2 3.84Å; M66-V71 HydrophobicContact CE-CG2 4.15Å; M66-V71 HydrophobicContact SD-CG2 4.02Å; M66-E74 HydrophobicContact CE-CG 4.13Å
67T97.5Very high97.4Very high80 Ų8054.9 Ų54.949%0.49129%0.291SS..  trans-76.9158.9164.670.90000110.4E69 Q70 V71T67-E69 PolarHBondContact O-N 3.37Å; T67-Q70 WeakPolarHBondContact O-CB 3.43Å; T67-Q70 PolarHBondContact O-N 3.24Å; T67-Q70 VanDerWaalsContact O-N 3.09Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.25Å; T67-Q70 PolarHBondContact OG1-N 3.29Å; T67-V71 PolarHBondContact O-N 3.34Å
68V97.5Very high97.4Very high20 Ų2055.7 Ų55.712%0.12129%0.292CS..Hα-helixtrans-55.8-36.4173.6170.60000111.7Q56 V59 V71 K72Q56-V68 HydrophobicContact CB-CG2 3.99Å; Q56-V68 HydrophobicContact CG-CG2 4.5Å; Q56-V68 VanDerWaalsContact OE1-CG2 3.29Å; V59-V68 HydrophobicContact CG2-CG2 4.41Å; V68-V71 PolarHBondContact O-N 3.41Å; V68-K72 HydrophobicContact CG1-CD 4.28Å; V68-K72 HydrophobicContact CG1-CG 4.42Å; V68-K72 VanDerWaalsContact O-CG 3.3Å; V68-K72 WeakPolarHBondContact O-CG 3.38Å; V68-K72 PolarHBondContact O-N 2.99Å
69E97.3Very high97.4Very high119 Ų11955.7 Ų55.756%0.55629%0.292SS*.Hα-helixtrans-66.9-38.1177-66-51.912600113T67 K72 K73T67-E69 PolarHBondContact O-N 3.37Å; E69-K72 PolarHBondContact O-N 3.36Å; E69-K72 IonicContact OE1-NZ 2.74Å; E69-K72 PolarHBondContact OE1-NZ 3.2Å; E69-K72 IonicContact OE2-NZ 2.73Å; E69-K73 WeakPolarHBondContact O-CB 3.3Å; E69-K73 PolarHBondContact O-N 2.85Å
70Q97.9Very high97.3Very high98 Ų9858.4 Ų58.446%0.45830%0.304SS..Hα-helixtrans-65.2-43.3173.6-71.1170.1-39.400110.9M66 T67 K73 E74M66-Q70 HydrophobicContact CB-CB 4.3Å; M66-Q70 HydrophobicContact CE-CB 3.75Å; T67-Q70 WeakPolarHBondContact O-CB 3.43Å; T67-Q70 PolarHBondContact O-N 3.24Å; T67-Q70 VanDerWaalsContact O-N 3.09Å; T67-Q70 WeakPolarHBondContact OG1-CG 3.25Å; T67-Q70 PolarHBondContact OG1-N 3.29Å; Q70-K73 PolarHBondContact O-N 2.93Å; Q70-E74 PolarHBondContact O-N 2.82Å; Q70-E74 VanDerWaalsContact O-N 3.13Å
71V98.1Very high97.3Very high0 Ų059.2 Ų59.20%031%0.305CS..Hα-helixtrans-60.3-48.5175.8172.10000110.8L30 Y55 L58 V59 M66 T67 V68 K73 E74 M75L30-V71 HydrophobicContact CD1-CB 4.36Å; L30-V71 HydrophobicContact CD1-CG1 3.95Å; L30-V71 HydrophobicContact CD1-CG2 4.32Å; Y55-V71 HydrophobicContact CD1-CG1 3.71Å; Y55-V71 HydrophobicContact CD2-CG1 4.3Å; Y55-V71 HydrophobicContact CE1-CG1 4.29Å; Y55-V71 HydrophobicContact CG-CG1 3.72Å; L58-V71 HydrophobicContact CD2-CG1 4.06Å; V59-V71 HydrophobicContact CG2-CG2 3.65Å; M66-V71 HydrophobicContact CB-CG2 3.84Å; M66-V71 HydrophobicContact CE-CG2 4.15Å; M66-V71 HydrophobicContact SD-CG2 4.02Å; T67-V71 PolarHBondContact O-N 3.34Å; V68-V71 PolarHBondContact O-N 3.41Å; V71-K73 VanDerWaalsContact C-N 3.33Å; V71-K73 PolarHBondContact O-N 3.44Å; V71-E74 PolarHBondContact O-N 3.43Å; V71-M75 HydrophobicContact CG1-CG 3.84Å; V71-M75 VanDerWaalsContact O-CB 3.27Å; V71-M75 WeakPolarHBondContact O-CB 3.25Å; V71-M75 WeakPolarHBondContact O-CG 3.23Å; V71-M75 PolarHBondContact O-N 3.32Å
72K96.1Very high97.4Very high45 Ų4555.6 Ų55.620%0.19629%0.288CS..Hα-helixtrans-54.7-47.5176.9-76.5170.6178.3176.40112.6N52 Y55 V68 E69 E74 M75 S76N52-K72 WeakPolarHBondContact OD1-CE 3.44Å; N52-K72 PolarHBondContact OD1-NZ 3.13Å; Y55-K72 HydrophobicContact CD2-CB 4.43Å; Y55-K72 HydrophobicContact CD2-CG 3.46Å; Y55-K72 VanDerWaalsContact CD2-CG 3.46Å; Y55-K72 HydrophobicContact CE2-CB 4.38Å; Y55-K72 HydrophobicContact CE2-CG 3.7Å; V68-K72 HydrophobicContact CG1-CD 4.28Å; V68-K72 HydrophobicContact CG1-CG 4.42Å; V68-K72 VanDerWaalsContact O-CG 3.3Å; V68-K72 WeakPolarHBondContact O-CG 3.38Å; V68-K72 PolarHBondContact O-N 2.99Å; E69-K72 PolarHBondContact O-N 3.36Å; E69-K72 IonicContact OE1-NZ 2.74Å; E69-K72 PolarHBondContact OE1-NZ 3.2Å; E69-K72 IonicContact OE2-NZ 2.73Å; K72-E74 PolarHBondContact O-N 3.44Å; K72-M75 PolarHBondContact O-N 3.14Å; K72-S76 WeakPolarHBondContact O-CB 3.04Å; K72-S76 PolarHBondContact O-N 3.43Å
73K96.8Very high97.4Very high175 Ų17554.7 Ų54.776%0.76128%0.284SS*.Hα-helixtrans-60.8-46.7-178-175.2-179.6179.3-179.10111.2E69 Q70 V71 G77E69-K73 WeakPolarHBondContact O-CB 3.3Å; E69-K73 PolarHBondContact O-N 2.85Å; Q70-K73 PolarHBondContact O-N 2.93Å; V71-K73 VanDerWaalsContact C-N 3.33Å; V71-K73 PolarHBondContact O-N 3.44Å; K73-G77 PolarHBondContact O-N 2.7Å
74E97.6Very high97.4Very high55 Ų5549.9 Ų49.926%0.25726%0.26SS..Hα-helixtrans-68.9-47.2178.5-70.6-158-171.600112.6L30 K33 M66 Q70 V71 K72 S76 G77 Y78L30-E74 HydrophobicContact CD1-CB 4.12Å; K33-E74 WeakPolarHBondContact CE-OE2 3.41Å; K33-E74 IonicContact NZ-OE1 2.66Å; K33-E74 PolarHBondContact NZ-OE1 2.79Å; K33-E74 IonicContact NZ-OE2 2.89Å; K33-E74 PolarHBondContact NZ-OE2 2.84Å; M66-E74 HydrophobicContact CE-CG 4.13Å; Q70-E74 PolarHBondContact O-N 2.82Å; Q70-E74 VanDerWaalsContact O-N 3.13Å; V71-E74 PolarHBondContact O-N 3.43Å; K72-E74 PolarHBondContact O-N 3.44Å; E74-S76 VanDerWaalsContact C-N 3.27Å; E74-S76 PolarHBondContact O-N 3.3Å; E74-G77 PolarHBondContact O-N 2.8Å; E74-G77 VanDerWaalsContact O-N 3.09Å; E74-Y78 HydrophobicContact CB-CE2 4.24Å; E74-Y78 WeakPolarHBondContact O-CD2 3.49Å; E74-Y78 PolarHBondContact O-N 3.22Å; E74-Y78 PolarHBondContact OE2-OH 3.02Å
75M97.3Very high97.4Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-58.6-40.9178.5-71.8-63-63.300111.1A26 H27 L30 Y55 V71 K72 G77 Y78 L79A26-M75 HydrophobicContact CB-CE 3.56Å; A26-M75 HydrophobicContact CB-SD 4.25Å; H27-M75 VanDerWaalsContact CD2-CE 3.47Å; H27-M75 WeakPolarHBondContact CD2-CE 3.12Å; H27-M75 WeakPolarHBondContact NE2-CE 3.32Å; L30-M75 HydrophobicContact CB-SD 4.17Å; L30-M75 HydrophobicContact CD1-CG 3.86Å; L30-M75 HydrophobicContact CD1-SD 3.92Å; Y55-M75 HydrophobicContact CE1-CB 4.21Å; Y55-M75 HydrophobicContact CE1-CE 4.17Å; Y55-M75 HydrophobicContact CE1-CG 3.8Å; Y55-M75 HydrophobicContact CE2-CB 4.47Å; Y55-M75 WeakPolarHBondContact OH-CB 3.46Å; V71-M75 HydrophobicContact CG1-CG 3.84Å; V71-M75 VanDerWaalsContact O-CB 3.27Å; V71-M75 WeakPolarHBondContact O-CB 3.25Å; V71-M75 WeakPolarHBondContact O-CG 3.23Å; V71-M75 PolarHBondContact O-N 3.32Å; K72-M75 PolarHBondContact O-N 3.14Å; M75-G77 VanDerWaalsContact C-N 3.28Å; M75-G77 PolarHBondContact O-N 2.65Å; M75-Y78 PolarHBondContact O-N 3Å; M75-L79 HydrophobicContact CB-CD1 4.38Å; M75-L79 HydrophobicContact CE-CD1 4.3Å; M75-L79 HydrophobicContact CE-CG 4.43Å; M75-L79 VanDerWaalsContact O-CB 3.27Å; M75-L79 WeakPolarHBondContact O-CB 3.39Å; M75-L79 WeakPolarHBondContact O-CG 3.44Å; M75-L79 PolarHBondContact O-N 3.32Å
76S95.8Very high97.5Very high24 Ų2450.2 Ų50.217%0.16826%0.256CS..Hα-helixtrans-56.3-43.7176-169.90000111.9K72 E74 L79 E80 R115K72-S76 WeakPolarHBondContact O-CB 3.04Å; K72-S76 PolarHBondContact O-N 3.43Å; E74-S76 VanDerWaalsContact C-N 3.27Å; E74-S76 PolarHBondContact O-N 3.3Å; S76-L79 PolarHBondContact O-N 3.03Å; S76-E80 WeakPolarHBondContact O-CB 3.28Å; S76-E80 WeakPolarHBondContact O-CG 3.4Å; S76-E80 PolarHBondContact O-N 3.34Å; S76-E80 PolarHBondContact OG-OE1 3.34Å; S76-R115 PolarHBondContact OG-NH1 3.05Å; S76-R115 VanDerWaalsContact OG-NH1 3.12Å
77G96.9Very high97.5Very high39 Ų3952.9 Ų52.940%0.40228%0.276SS..Hα-helixtrans-61.6-47.3178.100000112.9K73 E74 M75K73-G77 PolarHBondContact O-N 2.7Å; E74-G77 PolarHBondContact O-N 2.8Å; E74-G77 VanDerWaalsContact O-N 3.09Å; M75-G77 VanDerWaalsContact C-N 3.28Å; M75-G77 PolarHBondContact O-N 2.65Å
78Y98.2Very high97.5Very high46 Ų4651.5 Ų51.518%0.1827%0.265CS..Hα-helixtrans-65.9-42.3177.2-56.5-44.5000112.2R29 L30 K33 E74 M75 E80 E81 L82R29-Y78 HydrophobicContact CB-CD1 4.35Å; R29-Y78 HydrophobicContact CB-CD2 4.11Å; R29-Y78 HydrophobicContact CB-CE1 4.26Å; R29-Y78 HydrophobicContact CB-CE2 4.03Å; R29-Y78 HydrophobicContact CB-CG 4.29Å; L30-Y78 HydrophobicContact CB-CE2 4.13Å; K33-Y78 WeakPolarHBondContact CE-OH 3.13Å; K33-Y78 PolarHBondContact NZ-OH 2.88Å; E74-Y78 HydrophobicContact CB-CE2 4.24Å; E74-Y78 WeakPolarHBondContact O-CD2 3.49Å; E74-Y78 PolarHBondContact O-N 3.22Å; E74-Y78 PolarHBondContact OE2-OH 3.02Å; M75-Y78 PolarHBondContact O-N 3Å; Y78-E80 VanDerWaalsContact C-N 3.33Å; Y78-E80 PolarHBondContact O-N 2.86Å; Y78-E81 WeakPolarHBondContact O-CB 3.39Å; Y78-E81 PolarHBondContact O-N 3Å; Y78-L82 WeakPolarHBondContact O-CB 3.21Å; Y78-L82 WeakPolarHBondContact O-CD1 3.4Å; Y78-L82 WeakPolarHBondContact O-CG 3.05Å; Y78-L82 PolarHBondContact O-N 2.79Å
79L97.7Very high97.6Very high0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-69.8-30.2-177.8-67.4174.2000112.3Y23 A26 M75 S76 E81 L82 F83 F116Y23-L79 HydrophobicContact CD1-CD1 4.25Å; Y23-L79 HydrophobicContact CD1-CD2 3.76Å; Y23-L79 HydrophobicContact CE1-CD1 3.96Å; Y23-L79 HydrophobicContact CE1-CD2 4.1Å; A26-L79 HydrophobicContact CB-CD2 3.52Å; A26-L79 HydrophobicContact CB-CG 4.05Å; M75-L79 HydrophobicContact CB-CD1 4.38Å; M75-L79 HydrophobicContact CE-CD1 4.3Å; M75-L79 HydrophobicContact CE-CG 4.43Å; M75-L79 VanDerWaalsContact O-CB 3.27Å; M75-L79 WeakPolarHBondContact O-CB 3.39Å; M75-L79 WeakPolarHBondContact O-CG 3.44Å; M75-L79 PolarHBondContact O-N 3.32Å; S76-L79 PolarHBondContact O-N 3.03Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.06Å; L79-L82 PolarHBondContact O-N 2.81Å; L79-F83 HydrophobicContact CB-CD2 3.91Å; L79-F83 HydrophobicContact CB-CE1 4.39Å; L79-F83 HydrophobicContact CB-CE2 3.56Å; L79-F83 HydrophobicContact CB-CG 4.47Å; L79-F83 HydrophobicContact CB-CZ 3.83Å; L79-F83 HydrophobicContact CD1-CE2 4.09Å; L79-F83 HydrophobicContact CD1-CZ 3.83Å; L79-F83 HydrophobicContact CD2-CD1 4.39Å; L79-F83 HydrophobicContact CD2-CE1 3.66Å; L79-F83 HydrophobicContact CD2-CE2 4.24Å; L79-F83 HydrophobicContact CD2-CZ 3.57Å; L79-F83 HydrophobicContact CG-CE1 4.44Å; L79-F83 HydrophobicContact CG-CE2 4.16Å; L79-F83 HydrophobicContact CG-CZ 3.93Å; L79-F83 VanDerWaalsContact O-CB 3.24Å; L79-F83 WeakPolarHBondContact O-CB 3.37Å; L79-F83 VanDerWaalsContact O-CD2 3.29Å; L79-F83 WeakPolarHBondContact O-CD2 3.28Å; L79-F83 VanDerWaalsContact O-CG 3.22Å; L79-F83 WeakPolarHBondContact O-CG 3.27Å; L79-F83 PolarHBondContact O-N 3.15Å; L79-F116 HydrophobicContact CD1-CE2 4.49Å
80E97.3Very high97.6Very high73 Ų7350.3 Ų50.334%0.34127%0.265SS..Hα-helixtrans-63.1-37.7172.8-78.2164.1-139.700113S76 Y78 P84 R115 F116 L119S76-E80 WeakPolarHBondContact O-CB 3.28Å; S76-E80 WeakPolarHBondContact O-CG 3.4Å; S76-E80 PolarHBondContact O-N 3.34Å; S76-E80 PolarHBondContact OG-OE1 3.34Å; Y78-E80 VanDerWaalsContact C-N 3.33Å; Y78-E80 PolarHBondContact O-N 2.86Å; E80-P84 VanDerWaalsContact O-CD 3.31Å; E80-P84 WeakPolarHBondContact O-CD 3.46Å; E80-R115 IonicContact OE1-CZ 3.15Å; E80-R115 VanDerWaalsContact OE1-CZ 3.22Å; E80-R115 IonicContact OE1-NH1 2.74Å; E80-R115 PolarHBondContact OE1-NH1 3.11Å; E80-R115 IonicContact OE1-NH2 3.67Å; E80-R115 PolarHBondContact OE1-NH2 3.35Å; E80-R115 IonicContact OE2-NH2 3.32Å; E80-R115 PolarHBondContact OE2-NH2 3.23Å; E80-R115 VanDerWaalsContact OE2-NH2 3.14Å; E80-F116 HydrophobicContact CG-CE1 4.36Å; E80-L119 HydrophobicContact CB-CD1 4.39Å; E80-L119 HydrophobicContact CG-CD1 3.98Å
81E97.8Very high97.6Very high111 Ų11146.2 Ų46.252%0.51925%0.25SC..Hα-helixtrans-71-42.3173.9-177.1-164.113400111.4R29 Y78 L79R29-E81 IonicContact CZ-OE1 3.01Å; R29-E81 IonicContact NH1-OE1 2.77Å; R29-E81 PolarHBondContact NH1-OE1 3.32Å; R29-E81 IonicContact NH1-OE2 3.21Å; R29-E81 PolarHBondContact NH1-OE2 3.46Å; R29-E81 IonicContact NH2-OE1 3.67Å; R29-E81 PolarHBondContact NH2-OE1 2.92Å; Y78-E81 WeakPolarHBondContact O-CB 3.39Å; Y78-E81 PolarHBondContact O-N 3Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.06Å
82L98.3Very high97.7Very high12 Ų1246.2 Ų46.26%0.06325%0.25CC..Hα-helixtrans-85.7-39.1-167.8-70.4168000113.8Q22 E25 A26 Y78 L79 P84 L85Q22-L82 HydrophobicContact CB-CB 3.93Å; Q22-L82 HydrophobicContact CG-CB 3.78Å; Q22-L82 VanDerWaalsContact CG-O 3.28Å; Q22-L82 WeakPolarHBondContact CG-O 3.47Å; E25-L82 HydrophobicContact CB-CD1 4.19Å; E25-L82 HydrophobicContact CG-CD1 3.8Å; E25-L82 HydrophobicContact CG-CD2 3.97Å; A26-L82 HydrophobicContact CB-CD1 3.89Å; Y78-L82 WeakPolarHBondContact O-CB 3.21Å; Y78-L82 WeakPolarHBondContact O-CD1 3.4Å; Y78-L82 WeakPolarHBondContact O-CG 3.05Å; Y78-L82 PolarHBondContact O-N 2.79Å; L79-L82 PolarHBondContact O-N 2.81Å; L82-P84 VanDerWaalsContact C-CD 3.45Å; L82-L85 VanDerWaalsContact O-CB 3.29Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 PolarHBondContact O-N 2.81Å
83F98.1Very high97.8Very high0 Ų049.4 Ų49.40%027%0.265CS..G310 helixtrans-59.4-34.1-174.4-75.6-27.2000115.7Q22 Y23 L79 L85 S86 F116 L119 K120Q22-F83 HydrophobicContact CB-CD1 4.12Å; Q22-F83 HydrophobicContact CB-CE1 4.37Å; Y23-F83 HydrophobicContact CD1-CE1 4.41Å; Y23-F83 HydrophobicContact CD1-CZ 4.32Å; Y23-F83 HydrophobicContact CE1-CE1 4.07Å; Y23-F83 AromaticContact CE1-CZ 3.62Å; Y23-F83 HydrophobicContact CE1-CZ 3.62Å; Y23-F83 HydrophobicContact CE2-CE1 4.31Å; Y23-F83 HydrophobicContact CE2-CZ 4.41Å; Y23-F83 AromaticContact CZ-CZ 3.69Å; L79-F83 HydrophobicContact CB-CD2 3.91Å; L79-F83 HydrophobicContact CB-CE1 4.39Å; L79-F83 HydrophobicContact CB-CE2 3.56Å; L79-F83 HydrophobicContact CB-CG 4.47Å; L79-F83 HydrophobicContact CB-CZ 3.83Å; L79-F83 HydrophobicContact CD1-CE2 4.09Å; L79-F83 HydrophobicContact CD1-CZ 3.83Å; L79-F83 HydrophobicContact CD2-CD1 4.39Å; L79-F83 HydrophobicContact CD2-CE1 3.66Å; L79-F83 HydrophobicContact CD2-CE2 4.24Å; L79-F83 HydrophobicContact CD2-CZ 3.57Å; L79-F83 HydrophobicContact CG-CE1 4.44Å; L79-F83 HydrophobicContact CG-CE2 4.16Å; L79-F83 HydrophobicContact CG-CZ 3.93Å; L79-F83 VanDerWaalsContact O-CB 3.24Å; L79-F83 WeakPolarHBondContact O-CB 3.37Å; L79-F83 VanDerWaalsContact O-CD2 3.29Å; L79-F83 WeakPolarHBondContact O-CD2 3.28Å; L79-F83 VanDerWaalsContact O-CG 3.22Å; L79-F83 WeakPolarHBondContact O-CG 3.27Å; L79-F83 PolarHBondContact O-N 3.15Å; F83-L85 PolarHBondContact O-N 2.86Å; F83-S86 WeakPolarHBondContact O-CB 3.22Å; F83-S86 PolarHBondContact O-N 3.47Å; F83-S86 PolarHBondContact O-OG 2.88Å; F83-F116 HydrophobicContact CD2-CB 4.11Å; F83-F116 AromaticContact CD2-CD1 3.86Å; F83-F116 HydrophobicContact CD2-CD1 3.86Å; F83-F116 HydrophobicContact CD2-CE1 4.43Å; F83-F116 HydrophobicContact CD2-CG 4.02Å; F83-F116 HydrophobicContact CE2-CB 3.79Å; F83-F116 AromaticContact CE2-CD1 3.73Å; F83-F116 HydrophobicContact CE2-CD1 3.73Å; F83-F116 AromaticContact CE2-CD2 3.87Å; F83-F116 HydrophobicContact CE2-CD2 3.87Å; F83-F116 HydrophobicContact CE2-CE1 4.2Å; F83-F116 HydrophobicContact CE2-CE2 4.33Å; F83-F116 AromaticContact CE2-CG 3.54Å; F83-F116 HydrophobicContact CE2-CG 3.54Å; F83-F116 HydrophobicContact CE2-CZ 4.48Å; F83-L119 HydrophobicContact CB-CB 3.86Å; F83-K120 HydrophobicContact CB-CG 3.8Å; F83-K120 HydrophobicContact CD1-CD 4.36Å; F83-K120 HydrophobicContact CD1-CG 3.83Å; F83-K120 HydrophobicContact CD2-CG 4.09Å; F83-K120 HydrophobicContact CE1-CD 4.46Å; F83-K120 HydrophobicContact CE1-CG 4.41Å; F83-K120 HydrophobicContact CG-CD 4.4Å; F83-K120 HydrophobicContact CG-CG 3.65Å
84P97.8Very high97.8Very high28 Ų2844.6 Ų44.618%0.18224%0.242CC..G310 helixtrans-58.1-17.4172.3-27.136.7000114.7E80 L82 L119 N123E80-P84 VanDerWaalsContact O-CD 3.31Å; E80-P84 WeakPolarHBondContact O-CD 3.46Å; L82-P84 VanDerWaalsContact C-CD 3.45Å; P84-L119 WeakPolarHBondContact CA-O 3.23Å; P84-N123 PolarHBondContact O-ND2 2.99Å
85L97.2Very high97.9Very high113 Ų11342 Ų4259%0.59223%0.23SC*.G310 helixtrans-90.71.8178.8-51.1177.2000113.3L82 F83 S87L82-L85 VanDerWaalsContact O-CB 3.29Å; L82-L85 WeakPolarHBondContact O-CB 3.48Å; L82-L85 PolarHBondContact O-N 2.81Å; F83-L85 PolarHBondContact O-N 2.86Å; L85-S87 PolarHBondContact O-N 3.25Å
86S97.8Very high97.9Very high2 Ų242 Ų421%0.01423%0.23CC..PPolyproline II helixtrans-61.3131.2-179.3-52.80000110.4F83 H124F83-S86 WeakPolarHBondContact O-CB 3.22Å; F83-S86 PolarHBondContact O-N 3.47Å; F83-S86 PolarHBondContact O-OG 2.88Å; S86-H124 PolarHBondContact O-NE2 2.93Å
87S98Very high98Very high71 Ų7142.5 Ų42.550%0.49724%0.235SC..PPolyproline II helixtrans-102.7156177.5-66.70000110.6L17 D18 L85L17-S87 CarbonylContact C-O 3.35Å; L17-S87 VanDerWaalsContact CA-O 3.29Å; L17-S87 WeakPolarHBondContact CA-O 3.37Å; D18-S87 PolarHBondContact N-O 3.48Å; L85-S87 PolarHBondContact O-N 3.25Å
88L98.4Very high98.1Very high50 Ų5041.8 Ų41.826%0.26222%0.221SC..BIsolated β-bridgetrans-67139.3171.5-72.2164.3000110.3L16 L17 A92 H93 I127 F128L16-L88 WeakPolarHBondContact O-CA 3.42Å; L17-L88 HydrophobicContact CD2-CD2 3.83Å; L17-L88 HydrophobicContact CD2-CG 4.27Å; L88-A92 HydrophobicContact CB-CB 4.48Å; L88-A92 HydrophobicContact CD2-CB 4.22Å; L88-H93 HydrophobicContact CD1-CB 4.19Å; L88-I127 HydrophobicContact CD2-CG2 4.18Å; L88-F128 HydrophobicContact CD2-CE2 4.28Å; L88-F128 HydrophobicContact CD2-CZ 4.45Å
89M98.4Very high98.1Very high40 Ų4039.6 Ų39.620%0.19721%0.213CC..PPolyproline II helixtrans-65.1149.2170-74.1-66.4-76.500110.7L15 L16 D18 G91 A92L15-M89 WeakPolarHBondContact O-CB 3.22Å; L15-M89 WeakPolarHBondContact O-CG 3.24Å; L16-M89 PolarHBondContact O-N 3.15Å; D18-M89 HydrophobicContact CB-CG 4.4Å; D18-M89 HydrophobicContact CB-SD 3.58Å; D18-M89 VanDerWaalsContact CB-SD 3.58Å; M89-G91 PolarHBondContact O-N 2.99Å; M89-G91 VanDerWaalsContact O-N 3.13Å; M89-A92 HydrophobicContact CB-CB 4.44Å; M89-A92 VanDerWaalsContact O-CB 3.29Å; M89-A92 WeakPolarHBondContact O-CB 3.4Å; M89-A92 PolarHBondContact O-N 2.82Å
90P98.4Very high98.1Very high75 Ų7544.8 Ų44.849%0.48724%0.235SC..THydrogen-bonded Turntrans-55120.9177.6-25.734.5000111.8S212 L213 L214P90-S212 PolarHBondContact O-OG 3.11Å; P90-L213 WeakPolarHBondContact O-CB 3.44Å; P90-L214 HydrophobicContact CB-CD1 3.88Å; P90-L214 HydrophobicContact CB-CG 4.27Å
91G98.4Very high98.2Very high12 Ų1249.2 Ų49.212%0.12425%0.253CS..THydrogen-bonded Turntrans93.1-14.5-179.900000115.6M89 H93 R94 L95M89-G91 PolarHBondContact O-N 2.99Å; M89-G91 VanDerWaalsContact O-N 3.13Å; G91-H93 PolarHBondContact O-N 2.9Å; G91-R94 PolarHBondContact O-N 2.86Å; G91-L95 WeakPolarHBondContact O-CB 3.43Å; G91-L95 PolarHBondContact O-N 3.35Å
92A98.6Very high98.2Very high0 Ų045.5 Ų45.50%024%0.242CC..Hα-helixtrans-56.6-50.2-17800000112.7L16 L88 M89 R94 L95 I96 L213L16-A92 HydrophobicContact CD2-CB 3.9Å; L88-A92 HydrophobicContact CB-CB 4.48Å; L88-A92 HydrophobicContact CD2-CB 4.22Å; M89-A92 HydrophobicContact CB-CB 4.44Å; M89-A92 VanDerWaalsContact O-CB 3.29Å; M89-A92 WeakPolarHBondContact O-CB 3.4Å; M89-A92 PolarHBondContact O-N 2.82Å; A92-R94 PolarHBondContact O-N 3.02Å; A92-L95 PolarHBondContact O-N 2.99Å; A92-I96 WeakPolarHBondContact O-CG1 3.3Å; A92-I96 PolarHBondContact O-N 2.96Å; A92-I96 VanDerWaalsContact O-N 3.09Å; A92-L213 HydrophobicContact CB-CD1 4Å
93H98.2Very high98.1Very high111 Ų11151.8 Ų51.851%0.51428%0.276SS..Hα-helixtrans-59.2-48.1176.5179.6-78.7000112.2L88 G91 L95 A97L88-H93 HydrophobicContact CD1-CB 4.19Å; G91-H93 PolarHBondContact O-N 2.9Å; H93-L95 VanDerWaalsContact C-N 3.31Å; H93-L95 PolarHBondContact O-N 2.96Å; H93-A97 WeakPolarHBondContact O-CB 3.21Å; H93-A97 PolarHBondContact O-N 2.89Å
94R97.9Very high98.2Very high75 Ų7552.4 Ų52.428%0.28328%0.279SS..Hα-helixtrans-59.7-44.8-178.4178.5173.7175.6-101.53110.6G91 A92 H98 F226 D228G91-R94 PolarHBondContact O-N 2.86Å; A92-R94 PolarHBondContact O-N 3.02Å; R94-H98 WeakPolarHBondContact O-CB 3.4Å; R94-H98 PolarHBondContact O-N 3.22Å; R94-F226 HydrophobicContact CG-CD1 4.44Å; R94-F226 HydrophobicContact CG-CE1 3.98Å; R94-F226 VanDerWaalsContact NH1-CE2 3.33Å; R94-F226 VanDerWaalsContact NH2-CB 3.31Å; R94-D228 IonicContact CZ-OD1 2.81Å; R94-D228 IonicContact CZ-OD2 3.15Å; R94-D228 IonicContact NE-OD1 3.51Å; R94-D228 IonicContact NE-OD2 3.62Å; R94-D228 PolarHBondContact NE-OD2 3.39Å; R94-D228 VanDerWaalsContact NH2-CG 3.34Å; R94-D228 IonicContact NH2-OD1 2.74Å; R94-D228 PolarHBondContact NH2-OD1 2.89Å; R94-D228 IonicContact NH2-OD2 3.63Å; R94-D228 PolarHBondContact NH2-OD2 2.96Å
95L98.5Very high98.2Very high1 Ų152.1 Ų52.11%0.00528%0.277CS..Hα-helixtrans-66.1-49.7-177.4-17361.5000112.3F10 G91 A92 H93 H98 F99 F173 L213 F216 F226F10-L95 HydrophobicContact CE1-CD2 3.66Å; F10-L95 HydrophobicContact CE1-CG 4.23Å; F10-L95 HydrophobicContact CZ-CD2 4.12Å; F10-L95 HydrophobicContact CZ-CG 4.19Å; G91-L95 WeakPolarHBondContact O-CB 3.43Å; G91-L95 PolarHBondContact O-N 3.35Å; A92-L95 PolarHBondContact O-N 2.99Å; H93-L95 VanDerWaalsContact C-N 3.31Å; H93-L95 PolarHBondContact O-N 2.96Å; L95-H98 PolarHBondContact O-N 2.66Å; L95-F99 HydrophobicContact CD1-CD2 4.04Å; L95-F99 HydrophobicContact CD1-CE1 4.39Å; L95-F99 HydrophobicContact CD1-CE2 3.42Å; L95-F99 VanDerWaalsContact CD1-CE2 3.42Å; L95-F99 HydrophobicContact CD1-CZ 3.64Å; L95-F99 HydrophobicContact CD2-CE2 4.4Å; L95-F99 HydrophobicContact CG-CD2 4.1Å; L95-F99 HydrophobicContact CG-CE2 3.75Å; L95-F99 HydrophobicContact CG-CZ 4.46Å; L95-F99 PolarHBondContact O-N 2.92Å; L95-F173 HydrophobicContact CD2-CD1 4.1Å; L95-F173 HydrophobicContact CD2-CE1 3.68Å; L95-F173 HydrophobicContact CD2-CE2 4.47Å; L95-F173 HydrophobicContact CD2-CZ 3.89Å; L95-L213 HydrophobicContact CD2-CD2 3.87Å; L95-F216 HydrophobicContact CD1-CD1 3.61Å; L95-F216 HydrophobicContact CD1-CE1 4.08Å; L95-F226 HydrophobicContact CD1-CZ 3.88Å
96I98.6Very high98.3Very high0 Ų046.9 Ų46.90%025%0.25CC..Hα-helixtrans-64.4-46.8179.3-64.4170.9000110.7F10 L16 A92 H98 F99 F100 M106 I127 L130 L131F10-I96 HydrophobicContact CE2-CG1 4.2Å; F10-I96 HydrophobicContact CZ-CG1 4.28Å; L16-I96 HydrophobicContact CD1-CD1 3.95Å; L16-I96 HydrophobicContact CD2-CD1 3.92Å; L16-I96 HydrophobicContact CD2-CG1 4.45Å; A92-I96 WeakPolarHBondContact O-CG1 3.3Å; A92-I96 PolarHBondContact O-N 2.96Å; A92-I96 VanDerWaalsContact O-N 3.09Å; I96-H98 VanDerWaalsContact C-N 3.27Å; I96-H98 PolarHBondContact O-N 2.92Å; I96-F99 PolarHBondContact O-N 3.42Å; I96-F100 WeakPolarHBondContact O-CB 3.32Å; I96-F100 PolarHBondContact O-N 3.28Å; I96-M106 HydrophobicContact CB-SD 4.48Å; I96-M106 HydrophobicContact CG2-CE 4.06Å; I96-M106 HydrophobicContact CG2-SD 4.13Å; I96-M106 WeakPolarHBondContact O-CE 3.27Å; I96-I127 HydrophobicContact CB-CD1 3.88Å; I96-I127 HydrophobicContact CB-CG1 3.91Å; I96-I127 HydrophobicContact CD1-CG1 4Å; I96-I127 HydrophobicContact CG2-CD1 3.82Å; I96-I127 HydrophobicContact CG2-CG1 3.88Å; I96-L130 HydrophobicContact CG2-CB 4.14Å; I96-L130 HydrophobicContact CG2-CD1 4.24Å; I96-L131 HydrophobicContact CG2-CD2 4.38Å
97A98.1Very high98.3Very high33 Ų3346.8 Ų46.827%0.27325%0.249SC..Hα-helixtrans-62.2-37.1179.700000112.1H93 K101 I127H93-A97 WeakPolarHBondContact O-CB 3.21Å; H93-A97 PolarHBondContact O-N 2.89Å; A97-K101 WeakPolarHBondContact O-CB 3.35Å; A97-K101 PolarHBondContact O-N 3.46Å; A97-I127 HydrophobicContact CB-CD1 4.25Å
98H98.4Very high98.4Very high25 Ų2543.4 Ų43.412%0.11623%0.225CC..Hα-helixtrans-63.6-54176.2174.561.3000112.1R94 L95 I96 F100 K101 A102 P224 T225 F226R94-H98 WeakPolarHBondContact O-CB 3.4Å; R94-H98 PolarHBondContact O-N 3.22Å; L95-H98 PolarHBondContact O-N 2.66Å; I96-H98 VanDerWaalsContact C-N 3.27Å; I96-H98 PolarHBondContact O-N 2.92Å; H98-F100 VanDerWaalsContact C-N 3.32Å; H98-F100 PolarHBondContact O-N 2.62Å; H98-K101 PolarHBondContact O-N 2.67Å; H98-A102 WeakPolarHBondContact O-CB 3.43Å; H98-A102 PolarHBondContact O-N 2.73Å; H98-P224 PolarHBondContact CE1-O 3.06Å; H98-P224 PolarHBondContact NE2-O 3.5Å; H98-T225 VanDerWaalsContact CE1-C 3.5Å; H98-T225 PolarHBondContact CE1-O 2.95Å; H98-F226 HydrophobicContact CB-CD1 3.87Å; H98-F226 HydrophobicContact CB-CE1 3.58Å; H98-F226 AromaticContact CD2-CD1 3.7Å; H98-F226 AromaticContact CD2-CE1 3.61Å; H98-F226 AromaticContact CG-CD1 3.45Å; H98-F226 VanDerWaalsContact CG-CD1 3.45Å; H98-F226 AromaticContact CG-CE1 3.51Å; H98-F226 AromaticContact ND1-CD1 3.76Å
99F98.4Very high98.3Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-62.9-37.2179.2-74.6-28.3000112.8V8 F10 L95 I96 A102 N103 V104 M106 F173 F216 P218 L223V8-F99 HydrophobicContact CB-CE2 4.47Å; V8-F99 HydrophobicContact CG1-CD2 4.36Å; V8-F99 HydrophobicContact CG1-CE2 4.1Å; V8-F99 HydrophobicContact CG2-CD2 4.1Å; V8-F99 HydrophobicContact CG2-CE2 3.84Å; V8-F99 HydrophobicContact CG2-CZ 4.2Å; F10-F99 AromaticContact CZ-CD2 3.94Å; F10-F99 HydrophobicContact CZ-CD2 3.94Å; F10-F99 HydrophobicContact CZ-CE2 4.05Å; L95-F99 HydrophobicContact CD1-CD2 4.04Å; L95-F99 HydrophobicContact CD1-CE1 4.39Å; L95-F99 HydrophobicContact CD1-CE2 3.42Å; L95-F99 VanDerWaalsContact CD1-CE2 3.42Å; L95-F99 HydrophobicContact CD1-CZ 3.64Å; L95-F99 HydrophobicContact CD2-CE2 4.4Å; L95-F99 HydrophobicContact CG-CD2 4.1Å; L95-F99 HydrophobicContact CG-CE2 3.75Å; L95-F99 HydrophobicContact CG-CZ 4.46Å; L95-F99 PolarHBondContact O-N 2.92Å; I96-F99 PolarHBondContact O-N 3.42Å; F99-A102 CarbonylContact O-C 3.48Å; F99-A102 PolarHBondContact O-N 2.98Å; F99-N103 PolarHBondContact O-N 3.1Å; F99-N103 VanDerWaalsContact O-N 3.14Å; F99-V104 HydrophobicContact CB-CB 3.99Å; F99-V104 HydrophobicContact CB-CG1 4.49Å; F99-V104 HydrophobicContact CD1-CB 4.22Å; F99-V104 HydrophobicContact CD1-CG1 4.4Å; F99-V104 HydrophobicContact CD1-CG2 4.1Å; F99-V104 HydrophobicContact CG-CB 4.28Å; F99-V104 HydrophobicContact CG-CG1 4.41Å; F99-V104 PolarHBondContact O-N 3.3Å; F99-M106 HydrophobicContact CB-CE 3.98Å; F99-M106 HydrophobicContact CB-CG 4.05Å; F99-M106 HydrophobicContact CB-SD 3.34Å; F99-M106 WeakPolarHBondContact CB-SD 3.14Å; F99-M106 HydrophobicContact CD2-CG 4.47Å; F99-M106 HydrophobicContact CD2-SD 3.99Å; F99-M106 HydrophobicContact CG-SD 4.19Å; F99-F173 HydrophobicContact CE2-CE2 4.1Å; F99-F173 HydrophobicContact CE2-CZ 4.24Å; F99-F173 HydrophobicContact CZ-CZ 4.44Å; F99-F216 HydrophobicContact CE1-CE1 4.47Å; F99-F216 AromaticContact CZ-CE1 3.73Å; F99-F216 HydrophobicContact CZ-CE1 3.73Å; F99-F216 HydrophobicContact CZ-CZ 4.46Å; F99-P218 HydrophobicContact CE1-CB 4.43Å; F99-P218 HydrophobicContact CE1-CG 4.48Å; F99-L223 HydrophobicContact CE1-CB 4.26Å; F99-L223 HydrophobicContact CE1-CD1 3.89Å; F99-L223 HydrophobicContact CZ-CD1 3.83Å
100F98.1Very high98.2Very high109 Ų10939.1 Ų39.148%0.47820%0.204SC..Hα-helixtrans-59.5-50.6172.5-180-99.8000111.5I96 H98 A102 N103 M106 L130I96-F100 WeakPolarHBondContact O-CB 3.32Å; I96-F100 PolarHBondContact O-N 3.28Å; H98-F100 VanDerWaalsContact C-N 3.32Å; H98-F100 PolarHBondContact O-N 2.62Å; F100-A102 PolarHBondContact O-N 3.07Å; F100-N103 PolarHBondContact O-N 3.43Å; F100-M106 HydrophobicContact CB-CE 3.76Å; F100-L130 HydrophobicContact CB-CB 4.21Å; F100-L130 HydrophobicContact CB-CD1 3.9Å; F100-L130 HydrophobicContact CD1-CD1 4.15Å; F100-L130 HydrophobicContact CD1-CD2 4.03Å; F100-L130 HydrophobicContact CD2-CB 3.71Å; F100-L130 HydrophobicContact CD2-CD1 4.4Å; F100-L130 HydrophobicContact CD2-CD2 3.87Å; F100-L130 HydrophobicContact CD2-CG 4.19Å; F100-L130 HydrophobicContact CE1-CD2 3.99Å; F100-L130 HydrophobicContact CE2-CB 4.32Å; F100-L130 HydrophobicContact CE2-CD2 3.82Å; F100-L130 HydrophobicContact CG-CB 4.03Å; F100-L130 HydrophobicContact CG-CD1 3.89Å; F100-L130 HydrophobicContact CG-CD2 3.98Å; F100-L130 HydrophobicContact CG-CG 4.18Å; F100-L130 HydrophobicContact CZ-CD2 3.88Å
101K97.8Very high98Very high165 Ų16537.1 Ų37.172%0.71720%0.197SC*.Hα-helixtrans-60.4-33.1178.4-176.4-178.3176.4-173.30112.2A97 H98 N103A97-K101 WeakPolarHBondContact O-CB 3.35Å; A97-K101 PolarHBondContact O-N 3.46Å; H98-K101 PolarHBondContact O-N 2.67Å; K101-N103 VanDerWaalsContact C-N 3.29Å
102A97.9Very high97.7Very high33 Ų3336.6 Ų36.627%0.27319%0.191SC..THydrogen-bonded Turntrans-85.54.7178.800000114H98 F99 F100 V104 P224H98-A102 WeakPolarHBondContact O-CB 3.43Å; H98-A102 PolarHBondContact O-N 2.73Å; F99-A102 CarbonylContact O-C 3.48Å; F99-A102 PolarHBondContact O-N 2.98Å; F100-A102 PolarHBondContact O-N 3.07Å; A102-V104 HydrophobicContact CB-CG2 4.26Å; A102-V104 PolarHBondContact O-N 2.6Å; A102-P224 HydrophobicContact CB-CB 3.81Å; A102-P224 HydrophobicContact CB-CG 3.88Å
103N97.7Very high97.5Very high145 Ų14537.6 Ų37.678%0.77520%0.198SC*.THydrogen-bonded Turntrans57.132.2-177-55.7-68.6000114.1F99 F100 K101 P105F99-N103 PolarHBondContact O-N 3.1Å; F99-N103 VanDerWaalsContact O-N 3.14Å; F100-N103 PolarHBondContact O-N 3.43Å; K101-N103 VanDerWaalsContact C-N 3.29Å; N103-P105 WeakPolarHBondContact O-CD 3.49Å
104V98.5Very high97.4Very high13 Ų1337.5 Ų37.58%0.07920%0.196CC..  trans-81.6119.4171.3178.50000108.1V8 F99 A102 M106 L223 P224V8-V104 HydrophobicContact CG2-CG1 3.77Å; F99-V104 HydrophobicContact CB-CB 3.99Å; F99-V104 HydrophobicContact CB-CG1 4.49Å; F99-V104 HydrophobicContact CD1-CB 4.22Å; F99-V104 HydrophobicContact CD1-CG1 4.4Å; F99-V104 HydrophobicContact CD1-CG2 4.1Å; F99-V104 HydrophobicContact CG-CB 4.28Å; F99-V104 HydrophobicContact CG-CG1 4.41Å; F99-V104 PolarHBondContact O-N 3.3Å; A102-V104 HydrophobicContact CB-CG2 4.26Å; A102-V104 PolarHBondContact O-N 2.6Å; V104-M106 PolarHBondContact O-N 3.21Å; V104-L223 HydrophobicContact CG1-CD2 4.09Å; V104-L223 HydrophobicContact CG2-CD2 4.2Å; V104-P224 HydrophobicContact CG2-CG 4.3Å
105P98.6Very high97.4Very high21 Ų2139.3 Ų39.314%0.13620%0.203CC..  trans-60130.2175.6-24.935.5000111.6T6 V8 N103 F160T6-P105 WeakPolarHBondContact O-CD 3.37Å; V8-P105 PolarHBondContact N-O 3.04Å; N103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-F160 HydrophobicContact CB-CD1 3.75Å; P105-F160 HydrophobicContact CB-CE1 3.87Å
106M98.8Very high97.3Very high3 Ų339.7 Ų39.72%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-127.8144.4-179.8-62.6175.1-73.700111.5V8 F10 I96 F99 F100 V104 L131 Q132 F160V8-M106 HydrophobicContact CB-CG 4.16Å; V8-M106 CarbonylContact O-C 3.52Å; V8-M106 VanDerWaalsContact O-CA 3.24Å; V8-M106 WeakPolarHBondContact O-CA 3.29Å; F10-M106 HydrophobicContact CE2-CB 4.18Å; F10-M106 HydrophobicContact CE2-CG 3.96Å; F10-M106 HydrophobicContact CE2-SD 3.77Å; F10-M106 HydrophobicContact CZ-SD 4.41Å; I96-M106 HydrophobicContact CB-SD 4.48Å; I96-M106 HydrophobicContact CG2-CE 4.06Å; I96-M106 HydrophobicContact CG2-SD 4.13Å; I96-M106 WeakPolarHBondContact O-CE 3.27Å; F99-M106 HydrophobicContact CB-CE 3.98Å; F99-M106 HydrophobicContact CB-CG 4.05Å; F99-M106 HydrophobicContact CB-SD 3.34Å; F99-M106 WeakPolarHBondContact CB-SD 3.14Å; F99-M106 HydrophobicContact CD2-CG 4.47Å; F99-M106 HydrophobicContact CD2-SD 3.99Å; F99-M106 HydrophobicContact CG-SD 4.19Å; F100-M106 HydrophobicContact CB-CE 3.76Å; V104-M106 PolarHBondContact O-N 3.21Å; M106-L131 HydrophobicContact CB-CD2 3.61Å; M106-L131 HydrophobicContact SD-CD2 4.38Å; M106-Q132 PolarHBondContact O-N 3.36Å; M106-F160 VanDerWaalsContact C-CE1 3.5Å
107A98.9Very high97.2Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-138.6162.8172.900000111.4V8 I9 F10 H133 C156 F160V8-A107 PolarHBondContact O-N 3.45Å; I9-A107 WeakPolarHBondContact CA-O 3.39Å; F10-A107 PolarHBondContact N-O 3.34Å; A107-H133 WeakPolarHBondContact CA-O 3.34Å; A107-H133 VanDerWaalsContact CB-CE1 3.42Å; A107-H133 WeakPolarHBondContact CB-CE1 3.47Å; A107-H133 WeakPolarHBondContact CB-NE2 3.27Å; A107-C156 VanDerWaalsContact CB-SG 3.59Å; A107-F160 HydrophobicContact CB-CE1 3.68Å; A107-F160 HydrophobicContact CB-CE2 4.23Å; A107-F160 HydrophobicContact CB-CZ 3.43Å; A107-F160 VanDerWaalsContact CB-CZ 3.43Å
108L98.8Very high97.2Very high0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans-104.9138.4170.7-165.774.2000110.2F10 L12 L16 Y117 L131 H133 C134 V135 F136F10-L108 HydrophobicContact CB-CD1 4.18Å; F10-L108 CarbonylContact O-C 3.48Å; F10-L108 WeakPolarHBondContact O-CA 3.12Å; F10-L108 WeakPolarHBondContact O-CD1 3.46Å; L12-L108 HydrophobicContact CB-CD1 4.05Å; L12-L108 HydrophobicContact CB-CD2 4.37Å; L12-L108 HydrophobicContact CD1-CD1 4.22Å; L12-L108 HydrophobicContact CD1-CD2 4.23Å; L16-L108 HydrophobicContact CD1-CD1 3.83Å; L108-Y117 HydrophobicContact CD2-CD2 3.79Å; L108-Y117 HydrophobicContact CD2-CE2 3.44Å; L108-Y117 VanDerWaalsContact CD2-CE2 3.44Å; L108-L131 HydrophobicContact CB-CD1 3.87Å; L108-L131 HydrophobicContact CD1-CD1 4.44Å; L108-H133 PolarHBondContact N-O 3.33Å; L108-H133 VanDerWaalsContact N-O 3.08Å; L108-C134 HydrophobicContact CB-CB 4.12Å; L108-C134 CarbonylContact O-C 3.6Å; L108-C134 WeakPolarHBondContact O-CA 3.28Å; L108-V135 PolarHBondContact O-N 2.97Å; L108-F136 HydrophobicContact CD2-CE1 4.17Å
109C98.2Very high97.2Very high0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-130.397.2169.3-174.70000110.2I9 F10 K147 C152 F153 C156I9-C109 HydrophobicContact CG2-CB 3.57Å; F10-C109 PolarHBondContact O-N 3.14Å; C109-K147 PolarHBondContact O-NZ 3.21Å; C109-C152 PolarHBondContact SG-O 2.95Å; C109-F153 HydrophobicContact CB-CD1 3.95Å; C109-F153 HydrophobicContact CB-CE1 3.85Å; C109-C156 HydrophobicContact CB-CB 4.03Å
110S95.9Very high97.2Very high0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-112.9141-171.3-174.80000112.7S112 V135 V137S110-S112 PolarHBondContact O-N 2.68Å; S110-S112 WeakPolarHBondContact OG-CB 3.37Å; S110-S112 PolarHBondContact OG-N 2.95Å; S110-S112 VanDerWaalsContact OG-N 3.1Å; S110-V135 PolarHBondContact N-O 3.12Å; S110-V137 WeakPolarHBondContact O-CG2 3.49Å; S110-V137 PolarHBondContact O-N 3.44Å
111G93.2Very high97.2Very high33 Ų3341.1 Ų41.134%0.3421%0.208SC..SBendtrans-73.7-7.7167.900000114.1P138G111-P138 WeakPolarHBondContact O-CD 3.14Å; G111-P138 WeakPolarHBondContact O-CG 3.27Å
112S92.8Very high97.1Very high2 Ų240 Ų401%0.01420%0.203CC..SBendtrans-78.5149.6176.2-820000112.5D13 S110 K120 P138D13-S112 PolarHBondContact OD2-OG 3.42Å; S110-S112 PolarHBondContact O-N 2.68Å; S110-S112 WeakPolarHBondContact OG-CB 3.37Å; S110-S112 PolarHBondContact OG-N 2.95Å; S110-S112 VanDerWaalsContact OG-N 3.1Å; S112-K120 PolarHBondContact OG-NZ 2.9Å; S112-P138 WeakPolarHBondContact O-CD 3.42Å
113S94.3Very high97.1Very high21 Ų2143.7 Ų43.715%0.14722%0.218CC..  trans-68.6153.7168.9660000111.2R115 F116 Y117 D139S113-R115 PolarHBondContact O-N 2.94Å; S113-F116 PolarHBondContact O-N 3.29Å; S113-F116 PolarHBondContact OG-N 3.15Å; S113-Y117 PolarHBondContact O-N 2.87Å; S113-D139 WeakPolarHBondContact CA-OD2 3.36Å; S113-D139 VanDerWaalsContact CB-OD2 3.32Å; S113-D139 WeakPolarHBondContact CB-OD2 3.27Å
114K96.9Very high97.1Very high108 Ų10838.6 Ų38.647%0.4719%0.19SC..Hα-helixtrans-54.5-38.6176.4-174.9171.5-176.6174.70111.9Y117 Q118 F136 D139K114-Y117 WeakPolarHBondContact O-CB 3.44Å; K114-Y117 PolarHBondContact O-N 2.81Å; K114-Q118 VanDerWaalsContact O-CG 3.31Å; K114-Q118 WeakPolarHBondContact O-CG 3.19Å; K114-Q118 PolarHBondContact O-N 3.14Å; K114-F136 HydrophobicContact CB-CB 4.4Å; K114-F136 HydrophobicContact CB-CD2 3.7Å; K114-F136 HydrophobicContact CB-CE2 4.17Å; K114-F136 HydrophobicContact CB-CG 4.04Å; K114-F136 HydrophobicContact CD-CD2 4.12Å; K114-F136 HydrophobicContact CD-CE2 4.17Å; K114-F136 HydrophobicContact CG-CD2 3.83Å; K114-F136 HydrophobicContact CG-CE2 3.82Å; K114-D139 PolarHBondContact N-OD2 3.49Å
115R97.1Very high96.9Very high114 Ų11441 Ų4143%0.4321%0.208SC..Hα-helixtrans-58.4-50.4174.8178.3-175.3-179.6-123.15.9111.6S76 E80 S113 Q118 L119S76-R115 PolarHBondContact OG-NH1 3.05Å; S76-R115 VanDerWaalsContact OG-NH1 3.12Å; E80-R115 IonicContact OE1-CZ 3.15Å; E80-R115 VanDerWaalsContact OE1-CZ 3.22Å; E80-R115 IonicContact OE1-NH1 2.74Å; E80-R115 PolarHBondContact OE1-NH1 3.11Å; E80-R115 IonicContact OE1-NH2 3.67Å; E80-R115 PolarHBondContact OE1-NH2 3.35Å; E80-R115 IonicContact OE2-NH2 3.32Å; E80-R115 PolarHBondContact OE2-NH2 3.23Å; E80-R115 VanDerWaalsContact OE2-NH2 3.14Å; S113-R115 PolarHBondContact O-N 2.94Å; R115-Q118 PolarHBondContact O-N 2.99Å; R115-L119 PolarHBondContact O-N 3.36Å
116F96.4Very high96.8Very high9 Ų950.2 Ų50.24%0.03924%0.24CC..Hα-helixtrans-72.5-34.3-179.8-73.9-25.1000112.5L79 E80 F83 S113 Q118 L119 K120L79-F116 HydrophobicContact CD1-CE2 4.49Å; E80-F116 HydrophobicContact CG-CE1 4.36Å; F83-F116 HydrophobicContact CD2-CB 4.11Å; F83-F116 AromaticContact CD2-CD1 3.86Å; F83-F116 HydrophobicContact CD2-CD1 3.86Å; F83-F116 HydrophobicContact CD2-CE1 4.43Å; F83-F116 HydrophobicContact CD2-CG 4.02Å; F83-F116 HydrophobicContact CE2-CB 3.79Å; F83-F116 AromaticContact CE2-CD1 3.73Å; F83-F116 HydrophobicContact CE2-CD1 3.73Å; F83-F116 AromaticContact CE2-CD2 3.87Å; F83-F116 HydrophobicContact CE2-CD2 3.87Å; F83-F116 HydrophobicContact CE2-CE1 4.2Å; F83-F116 HydrophobicContact CE2-CE2 4.33Å; F83-F116 AromaticContact CE2-CG 3.54Å; F83-F116 HydrophobicContact CE2-CG 3.54Å; F83-F116 HydrophobicContact CE2-CZ 4.48Å; S113-F116 PolarHBondContact O-N 3.29Å; S113-F116 PolarHBondContact OG-N 3.15Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-Q118 PolarHBondContact O-N 3.48Å; F116-L119 HydrophobicContact CD1-CD1 4.09Å; F116-L119 PolarHBondContact O-N 3.37Å; F116-K120 WeakPolarHBondContact O-CB 3.4Å; F116-K120 WeakPolarHBondContact O-CD 3.28Å; F116-K120 WeakPolarHBondContact O-CG 3.3Å; F116-K120 PolarHBondContact O-N 2.98Å
117Y97.4Very high96.7Very high28 Ų2850.5 Ų50.511%0.1124%0.241CC..Hα-helixtrans-52.5-49.8168.2166.8-97.8000111.6L12 L108 S113 K114 L119 K120 T121 F128 F136L12-Y117 HydrophobicContact CD1-CD2 4.45Å; L12-Y117 HydrophobicContact CD1-CE2 4.47Å; L12-Y117 HydrophobicContact CD2-CD2 3.76Å; L108-Y117 HydrophobicContact CD2-CD2 3.79Å; L108-Y117 HydrophobicContact CD2-CE2 3.44Å; L108-Y117 VanDerWaalsContact CD2-CE2 3.44Å; S113-Y117 PolarHBondContact O-N 2.87Å; K114-Y117 WeakPolarHBondContact O-CB 3.44Å; K114-Y117 PolarHBondContact O-N 2.81Å; Y117-L119 VanDerWaalsContact C-N 3.31Å; Y117-L119 PolarHBondContact O-N 2.66Å; Y117-K120 PolarHBondContact O-N 2.74Å; Y117-K120 VanDerWaalsContact O-N 3.17Å; Y117-T121 HydrophobicContact CD2-CG2 3.75Å; Y117-T121 HydrophobicContact CE2-CG2 3.4Å; Y117-T121 VanDerWaalsContact CE2-CG2 3.4Å; Y117-T121 HydrophobicContact CG-CG2 4.45Å; Y117-T121 PolarHBondContact O-N 2.9Å; Y117-T121 PolarHBondContact O-OG1 3.04Å; Y117-F128 HydrophobicContact CE2-CD1 4.21Å; Y117-F128 WeakPolarHBondContact OH-CB 3.45Å; Y117-F136 AromaticContact CD1-CE1 3.64Å; Y117-F136 HydrophobicContact CD1-CE1 3.64Å; Y117-F136 HydrophobicContact CD1-CE2 4.32Å; Y117-F136 AromaticContact CD1-CZ 3.35Å; Y117-F136 HydrophobicContact CD1-CZ 3.35Å; Y117-F136 AromaticContact CD2-CE1 3.5Å; Y117-F136 HydrophobicContact CD2-CE1 3.5Å; Y117-F136 AromaticContact CD2-CZ 3.99Å; Y117-F136 HydrophobicContact CD2-CZ 3.99Å; Y117-F136 HydrophobicContact CE1-CE1 4.19Å; Y117-F136 AromaticContact CE1-CZ 3.65Å; Y117-F136 HydrophobicContact CE1-CZ 3.65Å; Y117-F136 HydrophobicContact CE2-CE1 4.05Å; Y117-F136 HydrophobicContact CE2-CZ 4.22Å; Y117-F136 HydrophobicContact CG-CD1 4.23Å; Y117-F136 AromaticContact CG-CE1 3.24Å; Y117-F136 HydrophobicContact CG-CE1 3.24Å; Y117-F136 AromaticContact CG-CZ 3.53Å; Y117-F136 HydrophobicContact CG-CZ 3.53Å
118Q98Very high96.7Very high114 Ų11450.8 Ų50.853%0.53324%0.242SC..Hα-helixtrans-61.3-36.7-179.8-73.6171.4-25.300113.2K114 R115 F116 K122K114-Q118 VanDerWaalsContact O-CG 3.31Å; K114-Q118 WeakPolarHBondContact O-CG 3.19Å; K114-Q118 PolarHBondContact O-N 3.14Å; R115-Q118 PolarHBondContact O-N 2.99Å; F116-Q118 VanDerWaalsContact C-N 3.31Å; F116-Q118 PolarHBondContact O-N 3.48Å; Q118-K122 PolarHBondContact O-N 3.08Å
119L98.1Very high96.7Very high43 Ų4356.5 Ų56.523%0.22527%0.273CS..Hα-helixtrans-67.7-43.5175.5-65.9179.9000111.6E80 F83 P84 R115 F116 Y117E80-L119 HydrophobicContact CB-CD1 4.39Å; E80-L119 HydrophobicContact CG-CD1 3.98Å; F83-L119 HydrophobicContact CB-CB 3.86Å; P84-L119 WeakPolarHBondContact CA-O 3.23Å; R115-L119 PolarHBondContact O-N 3.36Å; F116-L119 HydrophobicContact CD1-CD1 4.09Å; F116-L119 PolarHBondContact O-N 3.37Å; Y117-L119 VanDerWaalsContact C-N 3.31Å; Y117-L119 PolarHBondContact O-N 2.66Å
120K98.1Very high96.7Very high1 Ų158.6 Ų58.60%0.00428%0.284CS..Hα-helixtrans-66.2-38.8-179.2-69166.6-179.6-171.90112.9L12 D13 L17 T19 Y23 F83 S112 F116 Y117L12-K120 HydrophobicContact CD2-CD 4.1Å; D13-K120 WeakPolarHBondContact OD1-CD 3.41Å; D13-K120 WeakPolarHBondContact OD1-CE 3.43Å; D13-K120 IonicContact OD1-NZ 3.66Å; D13-K120 PolarHBondContact OD1-NZ 2.75Å; D13-K120 IonicContact OD2-NZ 3.8Å; D13-K120 PolarHBondContact OD2-NZ 3.29Å; D13-K120 VanDerWaalsContact OD2-NZ 3.07Å; L17-K120 HydrophobicContact CD1-CB 3.64Å; T19-K120 HydrophobicContact CG2-CD 3.96Å; T19-K120 HydrophobicContact CG2-CG 4.13Å; Y23-K120 PolarHBondContact OH-NZ 2.94Å; F83-K120 HydrophobicContact CB-CG 3.8Å; F83-K120 HydrophobicContact CD1-CD 4.36Å; F83-K120 HydrophobicContact CD1-CG 3.83Å; F83-K120 HydrophobicContact CD2-CG 4.09Å; F83-K120 HydrophobicContact CE1-CD 4.46Å; F83-K120 HydrophobicContact CE1-CG 4.41Å; F83-K120 HydrophobicContact CG-CD 4.4Å; F83-K120 HydrophobicContact CG-CG 3.65Å; S112-K120 PolarHBondContact OG-NZ 2.9Å; F116-K120 WeakPolarHBondContact O-CB 3.4Å; F116-K120 WeakPolarHBondContact O-CD 3.28Å; F116-K120 WeakPolarHBondContact O-CG 3.3Å; F116-K120 PolarHBondContact O-N 2.98Å; Y117-K120 PolarHBondContact O-N 2.74Å; Y117-K120 VanDerWaalsContact O-N 3.17Å
121T98Very high96.8Very high10 Ų1059.4 Ų59.46%0.06129%0.288CS..Hα-helixtrans-94.40.3-175.760.10000114L12 L17 Y117 N123 H124 S125 F128L12-T121 HydrophobicContact CD1-CG2 4.41Å; L17-T121 HydrophobicContact CD1-CG2 4.05Å; Y117-T121 HydrophobicContact CD2-CG2 3.75Å; Y117-T121 HydrophobicContact CE2-CG2 3.4Å; Y117-T121 VanDerWaalsContact CE2-CG2 3.4Å; Y117-T121 HydrophobicContact CG-CG2 4.45Å; Y117-T121 PolarHBondContact O-N 2.9Å; Y117-T121 PolarHBondContact O-OG1 3.04Å; T121-N123 PolarHBondContact O-N 3.47Å; T121-H124 CarbonylContact O-C 3.58Å; T121-H124 WeakPolarHBondContact O-CA 3.44Å; T121-H124 PolarHBondContact O-N 2.96Å; T121-S125 PolarHBondContact O-N 3.12Å; T121-S125 VanDerWaalsContact O-N 3.1Å; T121-F128 HydrophobicContact CG2-CD1 4.15Å; T121-F128 HydrophobicContact CG2-CD2 3.57Å; T121-F128 HydrophobicContact CG2-CE1 4.1Å; T121-F128 HydrophobicContact CG2-CE2 3.53Å; T121-F128 HydrophobicContact CG2-CG 3.9Å; T121-F128 HydrophobicContact CG2-CZ 3.81Å
122K96.1Very high97Very high142 Ų14262.5 Ų62.562%0.61729%0.293SS*.THydrogen-bonded Turntrans-49-39.7-175.2-177.7177.7176.3-1780113.9Q118Q118-K122 PolarHBondContact O-N 3.08Å
123N96.7Very high97.3Very high110 Ų11064 Ų6459%0.58830%0.3SS*.THydrogen-bonded Turntrans-94.63-178.2-64.8-35.4000113.8P84 T121P84-N123 PolarHBondContact O-ND2 2.99Å; T121-N123 PolarHBondContact O-N 3.47Å
124H97.3Very high97.5Very high39 Ų3964.6 Ų64.618%0.18130%0.304CS..THydrogen-bonded Turntrans-13011.2-173.3-53.8-62.1000112.7S86 T121 R126 I127 F128S86-H124 PolarHBondContact O-NE2 2.93Å; T121-H124 CarbonylContact O-C 3.58Å; T121-H124 WeakPolarHBondContact O-CA 3.44Å; T121-H124 PolarHBondContact O-N 2.96Å; H124-R126 PolarHBondContact O-N 3.25Å; H124-I127 HydrophobicContact CB-CG2 4.26Å; H124-I127 VanDerWaalsContact O-CG2 3.31Å; H124-I127 WeakPolarHBondContact O-CG2 3.42Å; H124-I127 PolarHBondContact O-N 3.46Å; H124-F128 HydrophobicContact CB-CD2 3.98Å; H124-F128 HydrophobicContact CB-CE2 3.78Å; H124-F128 WeakPolarHBondContact O-CD2 3.46Å
125S94.9Very high97.5Very high64 Ų6459.5 Ų59.545%0.44828%0.282SS..Hα-helixtrans-47.8-43.4-170.156.70000113.9T121 I127 F128 D129T121-S125 PolarHBondContact O-N 3.12Å; T121-S125 VanDerWaalsContact O-N 3.1Å; S125-I127 PolarHBondContact O-N 3.27Å; S125-I127 VanDerWaalsContact O-N 3.1Å; S125-F128 PolarHBondContact O-N 3.25Å; S125-D129 PolarHBondContact O-N 3.01Å
126R96.8Very high97.6Very high214 Ų21455 Ų5581%0.80827%0.266SS*.Hα-helixtrans-53.4-35.2-178.9-174178.4179.3-176.80.7114.4H124H124-R126 PolarHBondContact O-N 3.25Å
127I97.7Very high97.5Very high9 Ų955.8 Ų55.85%0.04627%0.271CS..Hα-helixtrans-79.1-36.9179.3-162.262.6000111.3L88 I96 A97 H124 S125 L130L88-I127 HydrophobicContact CD2-CG2 4.18Å; I96-I127 HydrophobicContact CB-CD1 3.88Å; I96-I127 HydrophobicContact CB-CG1 3.91Å; I96-I127 HydrophobicContact CD1-CG1 4Å; I96-I127 HydrophobicContact CG2-CD1 3.82Å; I96-I127 HydrophobicContact CG2-CG1 3.88Å; A97-I127 HydrophobicContact CB-CD1 4.25Å; H124-I127 HydrophobicContact CB-CG2 4.26Å; H124-I127 VanDerWaalsContact O-CG2 3.31Å; H124-I127 WeakPolarHBondContact O-CG2 3.42Å; H124-I127 PolarHBondContact O-N 3.46Å; S125-I127 PolarHBondContact O-N 3.27Å; S125-I127 VanDerWaalsContact O-N 3.1Å; I127-L130 HydrophobicContact CD1-CD1 3.96Å; I127-L130 WeakPolarHBondContact O-CB 3.41Å; I127-L130 PolarHBondContact O-N 3.41Å
128F98Very high97.3Very high5 Ų558.2 Ų58.22%0.02229%0.29CS..Hα-helixtrans-76.4-24.7179.9-70.2-80.9000112.8L12 L16 L17 L88 Y117 T121 H124 S125 L130 L131L12-F128 HydrophobicContact CD1-CE1 3.51Å; L12-F128 HydrophobicContact CD1-CZ 3.75Å; L16-F128 HydrophobicContact CB-CE1 4.39Å; L16-F128 HydrophobicContact CB-CZ 4.31Å; L16-F128 HydrophobicContact CD1-CE1 3.83Å; L16-F128 HydrophobicContact CD1-CZ 4.49Å; L17-F128 HydrophobicContact CD1-CE2 4.49Å; L17-F128 HydrophobicContact CD1-CZ 4.17Å; L17-F128 HydrophobicContact CD2-CE2 4.22Å; L17-F128 HydrophobicContact CD2-CZ 4.15Å; L17-F128 HydrophobicContact CG-CE2 4.46Å; L17-F128 HydrophobicContact CG-CZ 3.97Å; L88-F128 HydrophobicContact CD2-CE2 4.28Å; L88-F128 HydrophobicContact CD2-CZ 4.45Å; Y117-F128 HydrophobicContact CE2-CD1 4.21Å; Y117-F128 WeakPolarHBondContact OH-CB 3.45Å; T121-F128 HydrophobicContact CG2-CD1 4.15Å; T121-F128 HydrophobicContact CG2-CD2 3.57Å; T121-F128 HydrophobicContact CG2-CE1 4.1Å; T121-F128 HydrophobicContact CG2-CE2 3.53Å; T121-F128 HydrophobicContact CG2-CG 3.9Å; T121-F128 HydrophobicContact CG2-CZ 3.81Å; H124-F128 HydrophobicContact CB-CD2 3.98Å; H124-F128 HydrophobicContact CB-CE2 3.78Å; H124-F128 WeakPolarHBondContact O-CD2 3.46Å; S125-F128 PolarHBondContact O-N 3.25Å; F128-L130 PolarHBondContact O-N 3.27Å; F128-L130 VanDerWaalsContact O-N 3.17Å; F128-L131 HydrophobicContact CD1-CD1 4Å; F128-L131 WeakPolarHBondContact O-CB 3.28Å; F128-L131 WeakPolarHBondContact O-CG 2.87Å; F128-L131 PolarHBondContact O-N 2.85Å; F128-L131 VanDerWaalsContact O-N 3.16Å
129D97.7Very high97.2Very high120 Ų12057.2 Ų57.264%0.64229%0.288SS*.THydrogen-bonded Turntrans-65-11.7172.5-67.7-23000112.9S125 L131S125-D129 PolarHBondContact O-N 3.01Å; D129-L131 VanDerWaalsContact C-N 3.33Å
130L98.4Very high97.2Very high44 Ų4456 Ų5623%0.2328%0.282CS..THydrogen-bonded Turntrans-82.1-10.3175.7-54.9-174.1000113.4I96 F100 I127 F128I96-L130 HydrophobicContact CG2-CB 4.14Å; I96-L130 HydrophobicContact CG2-CD1 4.24Å; F100-L130 HydrophobicContact CB-CB 4.21Å; F100-L130 HydrophobicContact CB-CD1 3.9Å; F100-L130 HydrophobicContact CD1-CD1 4.15Å; F100-L130 HydrophobicContact CD1-CD2 4.03Å; F100-L130 HydrophobicContact CD2-CB 3.71Å; F100-L130 HydrophobicContact CD2-CD1 4.4Å; F100-L130 HydrophobicContact CD2-CD2 3.87Å; F100-L130 HydrophobicContact CD2-CG 4.19Å; F100-L130 HydrophobicContact CE1-CD2 3.99Å; F100-L130 HydrophobicContact CE2-CB 4.32Å; F100-L130 HydrophobicContact CE2-CD2 3.82Å; F100-L130 HydrophobicContact CG-CB 4.03Å; F100-L130 HydrophobicContact CG-CD1 3.89Å; F100-L130 HydrophobicContact CG-CD2 3.98Å; F100-L130 HydrophobicContact CG-CG 4.18Å; F100-L130 HydrophobicContact CZ-CD2 3.88Å; I127-L130 HydrophobicContact CD1-CD1 3.96Å; I127-L130 WeakPolarHBondContact O-CB 3.41Å; I127-L130 PolarHBondContact O-N 3.41Å; F128-L130 PolarHBondContact O-N 3.27Å; F128-L130 VanDerWaalsContact O-N 3.17Å
131L98.5Very high97.1Very high17 Ų1761.1 Ų61.19%0.08932%0.316CS..SBendtrans-80.9139.2177.8-53.7178.2000109.7F10 I96 M106 L108 F128 D129 H133F10-L131 HydrophobicContact CD2-CD2 4.34Å; I96-L131 HydrophobicContact CG2-CD2 4.38Å; M106-L131 HydrophobicContact CB-CD2 3.61Å; M106-L131 HydrophobicContact SD-CD2 4.38Å; L108-L131 HydrophobicContact CB-CD1 3.87Å; L108-L131 HydrophobicContact CD1-CD1 4.44Å; F128-L131 HydrophobicContact CD1-CD1 4Å; F128-L131 WeakPolarHBondContact O-CB 3.28Å; F128-L131 WeakPolarHBondContact O-CG 2.87Å; F128-L131 PolarHBondContact O-N 2.85Å; F128-L131 VanDerWaalsContact O-N 3.16Å; D129-L131 VanDerWaalsContact C-N 3.33Å; L131-H133 PolarHBondContact O-N 3.21Å
132Q98.2Very high97.1Very high98 Ų9865 Ų6546%0.45834%0.336SS..SBendtrans-65.3-40.6-180-70.9-164.5-18.100112.1M106M106-Q132 PolarHBondContact O-N 3.36Å
133H98.5Very high97.2Very high33 Ų3358.9 Ų58.915%0.15331%0.31CS..EExtended strand (participates in β ladder)trans-157.2167.3178.860.3-78.5000111.5A107 L108 L131 C156 R159 F160A107-H133 WeakPolarHBondContact CA-O 3.34Å; A107-H133 VanDerWaalsContact CB-CE1 3.42Å; A107-H133 WeakPolarHBondContact CB-CE1 3.47Å; A107-H133 WeakPolarHBondContact CB-NE2 3.27Å; L108-H133 PolarHBondContact N-O 3.33Å; L108-H133 VanDerWaalsContact N-O 3.08Å; L131-H133 PolarHBondContact O-N 3.21Å; H133-C156 PolarHBondContact NE2-O 3.34Å; H133-R159 WeakPolarHBondContact NE2-CB 3.34Å; H133-F160 AromaticContact CE1-CD1 3.62Å; H133-F160 AromaticContact CE1-CE1 3.83Å; H133-F160 AromaticContact CE1-CG 3.81Å; H133-F160 PolarHBondContact CE1-N 3.09Å
134C98.4Very high97.1Very high35 Ų3558.8 Ų58.824%0.23631%0.314CS..EExtended strand (participates in β ladder)trans-129.6137.4174.9-63.50000109.6L108 F136L108-C134 HydrophobicContact CB-CB 4.12Å; L108-C134 CarbonylContact O-C 3.6Å; L108-C134 WeakPolarHBondContact O-CA 3.28Å; C134-F136 HydrophobicContact CB-CE1 3.94Å; C134-F136 HydrophobicContact CB-CE2 3.75Å; C134-F136 HydrophobicContact CB-CZ 3.41Å; C134-F136 VanDerWaalsContact CB-CZ 3.41Å
135V98.2Very high96.9Very high0 Ų062.7 Ų62.70%033%0.327CS..EExtended strand (participates in β ladder)trans-105.6118167.3175.30000108.1L108 S110 D140 V143 V155 C156L108-V135 PolarHBondContact O-N 2.97Å; S110-V135 PolarHBondContact N-O 3.12Å; V135-D140 HydrophobicContact CG1-CB 4.31Å; V135-V143 HydrophobicContact CG1-CG2 3.98Å; V135-V155 HydrophobicContact CG2-CG1 4.49Å; V135-C156 HydrophobicContact CB-CB 4.23Å; V135-C156 HydrophobicContact CG2-CB 3.61Å
136F97.3Very high96.7Very high21 Ų2161.3 Ų61.39%0.09232%0.323CS..EExtended strand (participates in β ladder)trans-106.595.2175.4-57.6-60.6000108.4L108 K114 Y117 C134 P138 D139 D140L108-F136 HydrophobicContact CD2-CE1 4.17Å; K114-F136 HydrophobicContact CB-CB 4.4Å; K114-F136 HydrophobicContact CB-CD2 3.7Å; K114-F136 HydrophobicContact CB-CE2 4.17Å; K114-F136 HydrophobicContact CB-CG 4.04Å; K114-F136 HydrophobicContact CD-CD2 4.12Å; K114-F136 HydrophobicContact CD-CE2 4.17Å; K114-F136 HydrophobicContact CG-CD2 3.83Å; K114-F136 HydrophobicContact CG-CE2 3.82Å; Y117-F136 AromaticContact CD1-CE1 3.64Å; Y117-F136 HydrophobicContact CD1-CE1 3.64Å; Y117-F136 HydrophobicContact CD1-CE2 4.32Å; Y117-F136 AromaticContact CD1-CZ 3.35Å; Y117-F136 HydrophobicContact CD1-CZ 3.35Å; Y117-F136 AromaticContact CD2-CE1 3.5Å; Y117-F136 HydrophobicContact CD2-CE1 3.5Å; Y117-F136 AromaticContact CD2-CZ 3.99Å; Y117-F136 HydrophobicContact CD2-CZ 3.99Å; Y117-F136 HydrophobicContact CE1-CE1 4.19Å; Y117-F136 AromaticContact CE1-CZ 3.65Å; Y117-F136 HydrophobicContact CE1-CZ 3.65Å; Y117-F136 HydrophobicContact CE2-CE1 4.05Å; Y117-F136 HydrophobicContact CE2-CZ 4.22Å; Y117-F136 HydrophobicContact CG-CD1 4.23Å; Y117-F136 AromaticContact CG-CE1 3.24Å; Y117-F136 HydrophobicContact CG-CE1 3.24Å; Y117-F136 AromaticContact CG-CZ 3.53Å; Y117-F136 HydrophobicContact CG-CZ 3.53Å; C134-F136 HydrophobicContact CB-CE1 3.94Å; C134-F136 HydrophobicContact CB-CE2 3.75Å; C134-F136 HydrophobicContact CB-CZ 3.41Å; C134-F136 VanDerWaalsContact CB-CZ 3.41Å; F136-P138 VanDerWaalsContact C-N 3.3Å; F136-P138 VanDerWaalsContact O-N 3.08Å; F136-D139 HydrophobicContact CB-CB 4.35Å; F136-D139 CarbonylContact O-C 3.6Å; F136-D139 PolarHBondContact O-N 3.02Å; F136-D140 WeakPolarHBondContact O-CB 3.48Å; F136-D140 PolarHBondContact O-N 3.16Å
137V95.5Very high96.6Very high24 Ų2452 Ų5215%0.14529%0.289CS..G310 helixtrans-48.2-42.7-168.7172.90000113.8S110 D139 V143 C152S110-V137 WeakPolarHBondContact O-CG2 3.49Å; S110-V137 PolarHBondContact O-N 3.44Å; V137-D139 VanDerWaalsContact C-N 3.28Å; V137-D139 PolarHBondContact O-N 2.94Å; V137-V143 HydrophobicContact CB-CG1 4.45Å; V137-V143 HydrophobicContact CG1-CG1 3.82Å; V137-V143 HydrophobicContact CG2-CG1 4.22Å; V137-C152 HydrophobicContact CG2-CB 3.66Å
138P93.5Very high96.4Very high80 Ų8053.4 Ų53.452%0.51930%0.298SS..G310 helixtrans-67.7-22.9179.1-22.436.3000115.3G111 S112 F136G111-P138 WeakPolarHBondContact O-CD 3.14Å; G111-P138 WeakPolarHBondContact O-CG 3.27Å; S112-P138 WeakPolarHBondContact O-CD 3.42Å; F136-P138 VanDerWaalsContact C-N 3.3Å; F136-P138 VanDerWaalsContact O-N 3.08Å
139D96.2Very high96.4Very high92 Ų9255 Ų5549%0.49231%0.307SS..G310 helixtrans-108.2-3.9-176.2-54.7-90.9000112.5S113 K114 F136 V137S113-D139 WeakPolarHBondContact CA-OD2 3.36Å; S113-D139 VanDerWaalsContact CB-OD2 3.32Å; S113-D139 WeakPolarHBondContact CB-OD2 3.27Å; K114-D139 PolarHBondContact N-OD2 3.49Å; F136-D139 HydrophobicContact CB-CB 4.35Å; F136-D139 CarbonylContact O-C 3.6Å; F136-D139 PolarHBondContact O-N 3.02Å; V137-D139 VanDerWaalsContact C-N 3.28Å; V137-D139 PolarHBondContact O-N 2.94Å
140D97.3Very high96.4Very high18 Ų1850.2 Ų50.210%0.09628%0.283CS..  trans-92.1119.1-171.4-157.8-65.4000111.7V135 F136 D142 V143 R159V135-D140 HydrophobicContact CG1-CB 4.31Å; F136-D140 WeakPolarHBondContact O-CB 3.48Å; F136-D140 PolarHBondContact O-N 3.16Å; D140-D142 VanDerWaalsContact C-N 3.26Å; D140-D142 PolarHBondContact O-N 2.87Å; D140-D142 PolarHBondContact OD1-N 3.5Å; D140-V143 HydrophobicContact CB-CB 4.23Å; D140-V143 HydrophobicContact CB-CG2 4.05Å; D140-V143 PolarHBondContact O-N 3.49Å; D140-R159 VanDerWaalsContact CG-NH2 3.33Å; D140-R159 IonicContact OD1-CZ 3.56Å; D140-R159 IonicContact OD1-NH1 3.25Å; D140-R159 IonicContact OD1-NH2 2.65Å; D140-R159 PolarHBondContact OD1-NH2 3.43Å; D140-R159 IonicContact OD2-CZ 3.04Å; D140-R159 VanDerWaalsContact OD2-CZ 3.32Å; D140-R159 IonicContact OD2-NH1 3.57Å; D140-R159 PolarHBondContact OD2-NH1 2.94Å; D140-R159 IonicContact OD2-NH2 3.53Å; D140-R159 PolarHBondContact OD2-NH2 2.71Å; D140-R159 VanDerWaalsContact OD2-NH2 3.15Å
141P97.1Very high96.4Very high109 Ų10949.3 Ų49.371%0.70828%0.277SS*.THydrogen-bonded Turntrans-69-23.1-176.428.9-35.9000113.6V143P141-V143 VanDerWaalsContact C-N 3.35Å
142D97.9Very high96.4Very high92 Ų9248.5 Ų48.549%0.49227%0.273SS..THydrogen-bonded Turntrans-88.5-7.6-177.3-59.2-35.5000112.3D140 Q151 V155 R159D140-D142 VanDerWaalsContact C-N 3.26Å; D140-D142 PolarHBondContact O-N 2.87Å; D140-D142 PolarHBondContact OD1-N 3.5Å; D142-Q151 PolarHBondContact O-NE2 2.83Å; D142-V155 HydrophobicContact CB-CG1 4.04Å; D142-V155 HydrophobicContact CB-CG2 4.12Å; D142-R159 IonicContact OD2-CZ 2.75Å; D142-R159 IonicContact OD2-NH2 3.78Å; D142-R159 PolarHBondContact OD2-NH2 3.41Å
143V96.9Very high96.4Very high12 Ų1243.9 Ų43.97%0.07325%0.251CS..  trans-111.3107.4-179.7-171.20000109.8V135 V137 D140 P141 R145 Q151 C152 V155V135-V143 HydrophobicContact CG1-CG2 3.98Å; V137-V143 HydrophobicContact CB-CG1 4.45Å; V137-V143 HydrophobicContact CG1-CG1 3.82Å; V137-V143 HydrophobicContact CG2-CG1 4.22Å; D140-V143 HydrophobicContact CB-CB 4.23Å; D140-V143 HydrophobicContact CB-CG2 4.05Å; D140-V143 PolarHBondContact O-N 3.49Å; P141-V143 VanDerWaalsContact C-N 3.35Å; V143-R145 WeakPolarHBondContact CG1-O 3.5Å; V143-Q151 HydrophobicContact CG1-CG 4.44Å; V143-C152 HydrophobicContact CG1-CB 3.89Å; V143-V155 HydrophobicContact CG2-CB 4.01Å; V143-V155 HydrophobicContact CG2-CG1 3.99Å; V143-V155 HydrophobicContact CG2-CG2 4.07Å
144T95.1Very high96.4Very high109 Ų10945.8 Ų45.867%0.66926%0.26SS*.  trans-104.2-13.1179.753.60000113Q151T144-Q151 PolarHBondContact OG1-NE2 2.98Å; T144-Q151 PolarHBondContact OG1-OE1 2.84Å
145R93.5Very high96.4Very high120 Ų12044.8 Ų44.845%0.45325%0.253SS..SBendtrans-131.7127.6179.6-57.8-174.6-56.3-71.4-10.4110V143 D149V143-R145 WeakPolarHBondContact CG1-O 3.5Å; R145-D149 HydrophobicContact CB-CB 3.69Å; R145-D149 WeakPolarHBondContact CD-OD2 3.26Å; R145-D149 IonicContact CZ-OD1 2.94Å; R145-D149 IonicContact CZ-OD2 2.72Å; R145-D149 IonicContact NE-OD1 3.11Å; R145-D149 PolarHBondContact NE-OD1 2.72Å; R145-D149 IonicContact NE-OD2 3.89Å; R145-D149 PolarHBondContact NE-OD2 2.71Å; R145-D149 IonicContact NH2-OD1 2.78Å; R145-D149 PolarHBondContact NH2-OD1 2.77Å; R145-D149 IonicContact NH2-OD2 2.69Å
146G90.2Very high96.4Very high35 Ų3544.8 Ų44.836%0.36125%0.253SS..  trans-86.9173.9176.100000113D149G146-D149 WeakPolarHBondContact O-CB 3.39Å; G146-D149 PolarHBondContact O-N 2.99Å
147K93.9Very high96.5Very high20 Ų2044.3 Ų44.39%0.08725%0.252CS..THydrogen-bonded Turntrans-49.4134.6174.2-58.7168-173.5-179.80110.3D11 C109 E174 N178 A182D11-K147 IonicContact OD1-NZ 3.67Å; D11-K147 PolarHBondContact OD1-NZ 3.25Å; C109-K147 PolarHBondContact O-NZ 3.21Å; K147-E174 VanDerWaalsContact CE-OE1 3.32Å; K147-E174 WeakPolarHBondContact CE-OE1 3.39Å; K147-E174 IonicContact NZ-OE1 3.54Å; K147-E174 PolarHBondContact NZ-OE1 3.06Å; K147-N178 HydrophobicContact CB-CB 4.39Å; K147-A182 HydrophobicContact CB-CB 4.19Å; K147-A182 HydrophobicContact CG-CB 3.97Å
148P95.2Very high96.6Very high37 Ų3749.8 Ų49.824%0.2428%0.276CS..THydrogen-bonded Turncis-88.51513.237.5-38.5000115.5N178 E181 R185P148-N178 WeakPolarHBondContact CA-O 3.45Å; P148-N178 HydrophobicContact CB-CB 4.44Å; P148-E181 HydrophobicContact CB-CB 3.98Å; P148-E181 HydrophobicContact CB-CG 3.81Å; P148-R185 WeakPolarHBondContact O-CD 3.49Å; P148-R185 PolarHBondContact O-NH1 3.01Å; P148-R185 VanDerWaalsContact O-NH1 3.16Å
149D96.5Very high96.9Very high38 Ų3850 Ų5020%0.20327%0.267CS..SBendtrans-69.7138.3170.3-162.6-86.2000110.4R145 G146 Q151 A182R145-D149 HydrophobicContact CB-CB 3.69Å; R145-D149 WeakPolarHBondContact CD-OD2 3.26Å; R145-D149 IonicContact CZ-OD1 2.94Å; R145-D149 IonicContact CZ-OD2 2.72Å; R145-D149 IonicContact NE-OD1 3.11Å; R145-D149 PolarHBondContact NE-OD1 2.72Å; R145-D149 IonicContact NE-OD2 3.89Å; R145-D149 PolarHBondContact NE-OD2 2.71Å; R145-D149 IonicContact NH2-OD1 2.78Å; R145-D149 PolarHBondContact NH2-OD1 2.77Å; R145-D149 IonicContact NH2-OD2 2.69Å; G146-D149 WeakPolarHBondContact O-CB 3.39Å; G146-D149 PolarHBondContact O-N 2.99Å; D149-Q151 VanDerWaalsContact C-N 3.26Å; D149-Q151 PolarHBondContact O-N 2.87Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.36Å; D149-Q151 PolarHBondContact OD1-N 2.9Å; D149-Q151 VanDerWaalsContact OD1-N 3.11Å; D149-A182 WeakPolarHBondContact O-CB 3.34Å
150P98.1Very high97Very high21 Ų2146 Ų4614%0.13625%0.245CC..THydrogen-bonded Turntrans-73-15-176.630.5-37.1000114C152 F153 E154 R185 A186P150-C152 PolarHBondContact O-N 3.09Å; P150-F153 PolarHBondContact O-N 2.96Å; P150-E154 HydrophobicContact CB-CG 4.31Å; P150-E154 PolarHBondContact O-N 3.31Å; P150-R185 HydrophobicContact CB-CB 3.91Å; P150-R185 HydrophobicContact CG-CB 4.04Å; P150-A186 HydrophobicContact CB-CB 3.69Å
151Q98.2Very high96.9Very high25 Ų2549.7 Ų49.712%0.11727%0.272CS..Hα-helixtrans-50.5-41.3-169.5-177.8-178.427.900113.4D142 V143 T144 D149 F153 E154 V155D142-Q151 PolarHBondContact O-NE2 2.83Å; V143-Q151 HydrophobicContact CG1-CG 4.44Å; T144-Q151 PolarHBondContact OG1-NE2 2.98Å; T144-Q151 PolarHBondContact OG1-OE1 2.84Å; D149-Q151 VanDerWaalsContact C-N 3.26Å; D149-Q151 PolarHBondContact O-N 2.87Å; D149-Q151 WeakPolarHBondContact OD1-CB 3.36Å; D149-Q151 PolarHBondContact OD1-N 2.9Å; D149-Q151 VanDerWaalsContact OD1-N 3.11Å; Q151-F153 VanDerWaalsContact C-N 3.34Å; Q151-F153 PolarHBondContact O-N 3.41Å; Q151-E154 PolarHBondContact O-N 3.33Å; Q151-V155 HydrophobicContact CG-CG2 4.2Å; Q151-V155 WeakPolarHBondContact O-CB 3.35Å; Q151-V155 VanDerWaalsContact O-CG2 3.3Å; Q151-V155 WeakPolarHBondContact O-CG2 3.39Å; Q151-V155 PolarHBondContact O-N 3.45Å
152C97.7Very high96.9Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-61.7-41.1-179.365.40000112.7C109 V137 V143 P150 C156C109-C152 PolarHBondContact SG-O 2.95Å; V137-C152 HydrophobicContact CG2-CB 3.66Å; V143-C152 HydrophobicContact CG1-CB 3.89Å; P150-C152 PolarHBondContact O-N 3.09Å; C152-C156 VanDerWaalsContact O-CB 3.25Å; C152-C156 WeakPolarHBondContact O-CB 3.2Å; C152-C156 PolarHBondContact O-N 3.16Å
153F98.7Very high96.9Very high0 Ų048.2 Ų48.20%027%0.268CS..Hα-helixtrans-74.5-38.1176.4-71.4-55.3000111.9I9 C109 P150 Q151 C156 S157 V172 E174 G179 A182 A183 A186 M188I9-F153 HydrophobicContact CD1-CD1 4.44Å; I9-F153 HydrophobicContact CG2-CD1 3.9Å; I9-F153 HydrophobicContact CG2-CE1 3.93Å; C109-F153 HydrophobicContact CB-CD1 3.95Å; C109-F153 HydrophobicContact CB-CE1 3.85Å; P150-F153 PolarHBondContact O-N 2.96Å; Q151-F153 VanDerWaalsContact C-N 3.34Å; Q151-F153 PolarHBondContact O-N 3.41Å; F153-C156 PolarHBondContact O-N 2.99Å; F153-S157 VanDerWaalsContact O-CB 3.23Å; F153-S157 WeakPolarHBondContact O-CB 3.2Å; F153-S157 PolarHBondContact O-N 3.18Å; F153-V172 HydrophobicContact CD1-CG1 4.26Å; F153-V172 HydrophobicContact CD1-CG2 4.16Å; F153-V172 HydrophobicContact CE1-CG1 3.55Å; F153-V172 HydrophobicContact CE1-CG2 4.28Å; F153-V172 HydrophobicContact CE2-CG1 4.26Å; F153-V172 HydrophobicContact CG-CG2 4.49Å; F153-V172 HydrophobicContact CZ-CG1 3.55Å; F153-E174 HydrophobicContact CZ-CG 4.09Å; F153-G179 WeakPolarHBondContact CE2-O 3.47Å; F153-A182 HydrophobicContact CD2-CB 3.78Å; F153-A182 HydrophobicContact CE2-CB 3.75Å; F153-A183 HydrophobicContact CD2-CB 4.17Å; F153-A183 HydrophobicContact CE2-CB 4.04Å; F153-A186 HydrophobicContact CB-CB 4.24Å; F153-M188 HydrophobicContact CB-CE 4.04Å; F153-M188 HydrophobicContact CB-SD 3.91Å; F153-M188 WeakPolarHBondContact O-CE 3.34Å
154E98.7Very high97Very high74 Ų7448.5 Ų48.535%0.34627%0.27SS..Hα-helixtrans-58.6-50174.2-67.5172.3166.200111.4P150 Q151 S157 Q158 A186P150-E154 HydrophobicContact CB-CG 4.31Å; P150-E154 PolarHBondContact O-N 3.31Å; Q151-E154 PolarHBondContact O-N 3.33Å; E154-S157 PolarHBondContact O-N 3.37Å; E154-Q158 VanDerWaalsContact O-CG 3.24Å; E154-Q158 WeakPolarHBondContact O-CG 3.41Å; E154-Q158 PolarHBondContact O-N 3.44Å; E154-A186 HydrophobicContact CG-CB 4.15Å
155V98.6Very high97.1Very high13 Ų1353.3 Ų53.38%0.07928%0.282CS..Hα-helixtrans-61.1-45.6176.1169.10000110.8V135 D142 V143 Q151 S157 Q158 R159V135-V155 HydrophobicContact CG2-CG1 4.49Å; D142-V155 HydrophobicContact CB-CG1 4.04Å; D142-V155 HydrophobicContact CB-CG2 4.12Å; V143-V155 HydrophobicContact CG2-CB 4.01Å; V143-V155 HydrophobicContact CG2-CG1 3.99Å; V143-V155 HydrophobicContact CG2-CG2 4.07Å; Q151-V155 HydrophobicContact CG-CG2 4.2Å; Q151-V155 WeakPolarHBondContact O-CB 3.35Å; Q151-V155 VanDerWaalsContact O-CG2 3.3Å; Q151-V155 WeakPolarHBondContact O-CG2 3.39Å; Q151-V155 PolarHBondContact O-N 3.45Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 2.88Å; V155-Q158 PolarHBondContact O-N 3.48Å; V155-R159 WeakPolarHBondContact O-CG 3.5Å; V155-R159 PolarHBondContact O-N 3.15Å
156C98.7Very high97.3Very high0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-62-41.7178.5-169.30000111.7I9 A107 C109 H133 V135 C152 F153 R159I9-C156 HydrophobicContact CD1-CB 4.04Å; A107-C156 VanDerWaalsContact CB-SG 3.59Å; C109-C156 HydrophobicContact CB-CB 4.03Å; H133-C156 PolarHBondContact NE2-O 3.34Å; V135-C156 HydrophobicContact CB-CB 4.23Å; V135-C156 HydrophobicContact CG2-CB 3.61Å; C152-C156 VanDerWaalsContact O-CB 3.25Å; C152-C156 WeakPolarHBondContact O-CB 3.2Å; C152-C156 PolarHBondContact O-N 3.16Å; F153-C156 PolarHBondContact O-N 2.99Å; C156-R159 PolarHBondContact O-N 3.48Å
157S98.8Very high97.7Very high12 Ų1251.8 Ų51.88%0.08428%0.281CS..Hα-helixtrans-65.3-38.71771760000112.9F153 E154 V155 R159 F160 P164 M188F153-S157 VanDerWaalsContact O-CB 3.23Å; F153-S157 WeakPolarHBondContact O-CB 3.2Å; F153-S157 PolarHBondContact O-N 3.18Å; E154-S157 PolarHBondContact O-N 3.37Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 2.88Å; S157-R159 PolarHBondContact O-N 3.2Å; S157-F160 WeakPolarHBondContact O-CD2 2.76Å; S157-F160 PolarHBondContact O-N 2.94Å; S157-P164 WeakPolarHBondContact O-CD 3.32Å; S157-P164 WeakPolarHBondContact OG-CG 3.46Å; S157-M188 VanDerWaalsContact CB-CE 3.45Å
158Q98.2Very high97.9Very high139 Ų13952.1 Ų52.165%0.6529%0.287SS*.Hα-helixtrans-68.3-21.5180-73.916810.100113.4E154 V155E154-Q158 VanDerWaalsContact O-CG 3.24Å; E154-Q158 WeakPolarHBondContact O-CG 3.41Å; E154-Q158 PolarHBondContact O-N 3.44Å; V155-Q158 PolarHBondContact O-N 3.48Å
159R98.5Very high98Very high85 Ų8550.8 Ų50.832%0.32128%0.279SS..THydrogen-bonded Turntrans-86-7-177.7-71.8175.3-177.81797.6114.4H133 D140 D142 V155 C156 S157H133-R159 WeakPolarHBondContact NE2-CB 3.34Å; D140-R159 VanDerWaalsContact CG-NH2 3.33Å; D140-R159 IonicContact OD1-CZ 3.56Å; D140-R159 IonicContact OD1-NH1 3.25Å; D140-R159 IonicContact OD1-NH2 2.65Å; D140-R159 PolarHBondContact OD1-NH2 3.43Å; D140-R159 IonicContact OD2-CZ 3.04Å; D140-R159 VanDerWaalsContact OD2-CZ 3.32Å; D140-R159 IonicContact OD2-NH1 3.57Å; D140-R159 PolarHBondContact OD2-NH1 2.94Å; D140-R159 IonicContact OD2-NH2 3.53Å; D140-R159 PolarHBondContact OD2-NH2 2.71Å; D140-R159 VanDerWaalsContact OD2-NH2 3.15Å; D142-R159 IonicContact OD2-CZ 2.75Å; D142-R159 IonicContact OD2-NH2 3.78Å; D142-R159 PolarHBondContact OD2-NH2 3.41Å; V155-R159 WeakPolarHBondContact O-CG 3.5Å; V155-R159 PolarHBondContact O-N 3.15Å; C156-R159 PolarHBondContact O-N 3.48Å; S157-R159 PolarHBondContact O-N 3.2Å
160F98.7Very high98.2Very high6 Ų649 Ų493%0.02627%0.269CS..SBendtrans-61.2145.7171.6-79.1-66.2000111.7H7 V8 I9 P105 M106 A107 H133 S157 P162H7-F160 HydrophobicContact CB-CD2 4.18Å; H7-F160 HydrophobicContact CB-CE2 3.94Å; H7-F160 HydrophobicContact CB-CZ 4.2Å; H7-F160 AromaticContact CD2-CD1 3.76Å; H7-F160 AromaticContact CD2-CD2 3.75Å; H7-F160 AromaticContact CD2-CG 3.49Å; H7-F160 VanDerWaalsContact CD2-CG 3.49Å; H7-F160 WeakPolarHBondContact CD2-CG 3.39Å; V8-F160 WeakPolarHBondContact O-CZ 3.2Å; I9-F160 HydrophobicContact CD1-CE2 4.06Å; I9-F160 HydrophobicContact CG1-CE2 3.7Å; I9-F160 HydrophobicContact CG1-CZ 3.93Å; P105-F160 HydrophobicContact CB-CD1 3.75Å; P105-F160 HydrophobicContact CB-CE1 3.87Å; M106-F160 VanDerWaalsContact C-CE1 3.5Å; A107-F160 HydrophobicContact CB-CE1 3.68Å; A107-F160 HydrophobicContact CB-CE2 4.23Å; A107-F160 HydrophobicContact CB-CZ 3.43Å; A107-F160 VanDerWaalsContact CB-CZ 3.43Å; H133-F160 AromaticContact CE1-CD1 3.62Å; H133-F160 AromaticContact CE1-CE1 3.83Å; H133-F160 AromaticContact CE1-CG 3.81Å; H133-F160 PolarHBondContact CE1-N 3.09Å; S157-F160 WeakPolarHBondContact O-CD2 2.76Å; S157-F160 PolarHBondContact O-N 2.94Å; F160-P162 CarbonylContact C-O 3.52Å; F160-P162 WeakPolarHBondContact CB-O 3.48Å; F160-P162 CarbonylContact O-C 3.57Å
161S96.6Very high98.2Very high97 Ų9748 Ų4868%0.67826%0.262SS*.SBendtrans-129.2106.6173.4-168.50000110.1
162P96.9Very high98.2Very high88 Ų8846.8 Ų46.857%0.57126%0.257SS*.SBendcis-71.3159.7-3.132.9-36.2000112.5H7 F160H7-P162 PolarHBondContact NE2-O 3.14Å; F160-P162 CarbonylContact C-O 3.52Å; F160-P162 WeakPolarHBondContact CB-O 3.48Å; F160-P162 CarbonylContact O-C 3.57Å
163P97.1Very high98.3Very high82 Ų8246.8 Ų46.853%0.53226%0.257SS..PPolyproline II helixtrans-72.5154.5174.229.4-34.8000112.2
164P98.1Very high98.3Very high18 Ų1846.8 Ų46.812%0.11726%0.257CS..PPolyproline II helixtrans-62.1145.6171.525.1-32.5000111.4H7 S157 C166 V170H7-P164 VanDerWaalsContact CE1-CA 3.47Å; H7-P164 WeakPolarHBondContact CE1-CA 3.38Å; S157-P164 WeakPolarHBondContact O-CD 3.32Å; S157-P164 WeakPolarHBondContact OG-CG 3.46Å; P164-C166 VanDerWaalsContact C-N 3.29Å; P164-C166 PolarHBondContact O-N 3.33Å; P164-V170 HydrophobicContact CB-CG2 3.72Å; P164-V170 HydrophobicContact CG-CG2 3.55Å
165K97.6Very high98.2Very high210 Ų21043.9 Ų43.991%0.91324%0.243SC*.SBendtrans-66.1-30.5-179.5-68.8-177.8178.4177.20113.6
166C98.2Very high98.1Very high56 Ų5643.3 Ų43.338%0.37824%0.24SC..SBendtrans-155.3160.1177.858.50000109.3P164 S168 A169P164-C166 VanDerWaalsContact C-N 3.29Å; P164-C166 PolarHBondContact O-N 3.33Å; C166-S168 VanDerWaalsContact C-N 3.28Å; C166-S168 PolarHBondContact O-N 2.94Å; C166-S168 PolarHBondContact SG-OG 2.63Å; C166-S168 VanDerWaalsContact SG-OG 3.37Å; C166-A169 WeakPolarHBondContact O-CB 3.4Å; C166-A169 PolarHBondContact O-N 2.94Å; C166-A169 VanDerWaalsContact O-N 3.13Å
167P98.5Very high98.1Very high66 Ų6644.8 Ų44.843%0.42925%0.25SC..G310 helixtrans-60.2-34.6179.9-24.634.1000114A169 V170 A186 G187 M188P167-A169 PolarHBondContact O-N 3.3Å; P167-A169 VanDerWaalsContact O-N 3.14Å; P167-V170 WeakPolarHBondContact O-CB 3.42Å; P167-V170 PolarHBondContact O-N 2.83Å; P167-A186 WeakPolarHBondContact CB-O 3.49Å; P167-G187 CarbonylContact C-O 3.53Å; P167-G187 VanDerWaalsContact C-O 3.31Å; P167-M188 HydrophobicContact CB-CG 4.32Å; P167-M188 WeakPolarHBondContact O-CA 3.43Å
168S98.2Very high97.9Very high28 Ų2845.7 Ų45.720%0.19625%0.254CS..G310 helixtrans-67.5-14.9179.864.20000113.9Q3 C166 V170 G187 Q189Q3-S168 PolarHBondContact OE1-OG 3.48Å; C166-S168 VanDerWaalsContact C-N 3.28Å; C166-S168 PolarHBondContact O-N 2.94Å; C166-S168 PolarHBondContact SG-OG 2.63Å; C166-S168 VanDerWaalsContact SG-OG 3.37Å; S168-V170 PolarHBondContact O-N 2.78Å; S168-G187 VanDerWaalsContact CA-O 3.3Å; S168-G187 WeakPolarHBondContact CA-O 3.3Å; S168-G187 PolarHBondContact N-O 3.37Å; S168-G187 VanDerWaalsContact N-O 3.13Å; S168-Q189 PolarHBondContact O-NE2 3.34Å
169A98.5Very high97.9Very high9 Ų939 Ų397%0.07422%0.223CC..G310 helixtrans-82.13.3172.700000113.1A5 T6 H7 C166 P167A5-A169 CarbonylContact C-O 3.57Å; T6-A169 PolarHBondContact N-O 3.28Å; T6-A169 WeakPolarHBondContact OG1-CB 3.37Å; T6-A169 PolarHBondContact OG1-O 3.12Å; T6-A169 VanDerWaalsContact OG1-O 3.13Å; H7-A169 PolarHBondContact N-O 3.26Å; C166-A169 WeakPolarHBondContact O-CB 3.4Å; C166-A169 PolarHBondContact O-N 2.94Å; C166-A169 VanDerWaalsContact O-N 3.13Å; P167-A169 PolarHBondContact O-N 3.3Å; P167-A169 VanDerWaalsContact O-N 3.14Å
170V98.9Very high97.9Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-103.5130.2173.8-173.40000109.4H7 I9 P164 P167 S168 M188 Q189H7-V170 HydrophobicContact CB-CG2 4.35Å; H7-V170 WeakPolarHBondContact O-CA 3.42Å; I9-V170 HydrophobicContact CD1-CG1 3.72Å; I9-V170 HydrophobicContact CG1-CG1 3.84Å; P164-V170 HydrophobicContact CB-CG2 3.72Å; P164-V170 HydrophobicContact CG-CG2 3.55Å; P167-V170 WeakPolarHBondContact O-CB 3.42Å; P167-V170 PolarHBondContact O-N 2.83Å; S168-V170 PolarHBondContact O-N 2.78Å; V170-M188 HydrophobicContact CB-CB 4.37Å; V170-M188 HydrophobicContact CB-CE 4.41Å; V170-M188 HydrophobicContact CB-CG 3.98Å; V170-M188 HydrophobicContact CB-SD 3.95Å; V170-M188 HydrophobicContact CG1-CE 4.37Å; V170-M188 HydrophobicContact CG1-CG 4.39Å; V170-M188 HydrophobicContact CG1-SD 3.73Å; V170-M188 HydrophobicContact CG2-CE 4.42Å; V170-Q189 PolarHBondContact O-N 2.72Å
171L98.9Very high97.9Very high0 Ų037.5 Ų37.50%022%0.219CC..EExtended strand (participates in β ladder)trans-105.2114.2172.2-173.162.1000109.8A5 H7 V8 I9 F173 Q189 V191 F216 F221 L223A5-L171 HydrophobicContact CB-CB 3.85Å; H7-L171 PolarHBondContact O-N 3.04Å; V8-L171 CarbonylContact C-O 3.54Å; V8-L171 VanDerWaalsContact CA-O 3.28Å; V8-L171 WeakPolarHBondContact CA-O 3.4Å; V8-L171 HydrophobicContact CG2-CB 4.48Å; I9-L171 PolarHBondContact N-O 3.3Å; L171-F173 HydrophobicContact CD2-CE2 3.7Å; L171-F173 HydrophobicContact CD2-CZ 3.85Å; L171-F173 HydrophobicContact CG-CD2 4.46Å; L171-F173 HydrophobicContact CG-CE2 3.91Å; L171-F173 HydrophobicContact CG-CZ 4.43Å; L171-Q189 HydrophobicContact CD1-CB 3.76Å; L171-V191 HydrophobicContact CD1-CG2 3.83Å; L171-V191 HydrophobicContact CD2-CG2 4.15Å; L171-V191 HydrophobicContact CG-CG2 4.18Å; L171-F216 HydrophobicContact CD2-CE2 4.08Å; L171-F216 HydrophobicContact CD2-CZ 3.74Å; L171-F221 HydrophobicContact CD1-CD1 3.64Å; L171-F221 HydrophobicContact CD1-CD2 4.44Å; L171-F221 HydrophobicContact CD1-CE1 3.43Å; L171-F221 VanDerWaalsContact CD1-CE1 3.43Å; L171-F221 HydrophobicContact CD1-CE2 4.28Å; L171-F221 HydrophobicContact CD1-CG 4.15Å; L171-F221 HydrophobicContact CD1-CZ 3.77Å; L171-F221 HydrophobicContact CD2-CB 4.31Å; L171-F221 HydrophobicContact CD2-CD1 4.26Å; L171-F221 HydrophobicContact CD2-CD2 3.96Å; L171-F221 HydrophobicContact CD2-CE2 4.34Å; L171-F221 HydrophobicContact CD2-CG 3.92Å; L171-L223 HydrophobicContact CD2-CD1 3.82Å
172V98.9Very high97.9Very high0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-89.3138.2173.7-178.60000109.4I9 F153 E174 A183 M188 Q189 V190 V191I9-V172 HydrophobicContact CB-CG2 4.39Å; I9-V172 CarbonylContact O-C 3.31Å; I9-V172 VanDerWaalsContact O-CA 3.25Å; I9-V172 WeakPolarHBondContact O-CA 3.47Å; F153-V172 HydrophobicContact CD1-CG1 4.26Å; F153-V172 HydrophobicContact CD1-CG2 4.16Å; F153-V172 HydrophobicContact CE1-CG1 3.55Å; F153-V172 HydrophobicContact CE1-CG2 4.28Å; F153-V172 HydrophobicContact CE2-CG1 4.26Å; F153-V172 HydrophobicContact CG-CG2 4.49Å; F153-V172 HydrophobicContact CZ-CG1 3.55Å; V172-E174 HydrophobicContact CG1-CG 3.91Å; V172-A183 HydrophobicContact CB-CB 3.84Å; V172-A183 HydrophobicContact CG1-CB 3.98Å; V172-A183 HydrophobicContact CG2-CB 3.8Å; V172-M188 HydrophobicContact CG2-CB 4.05Å; V172-M188 HydrophobicContact CG2-SD 3.65Å; V172-Q189 PolarHBondContact N-O 3.13Å; V172-V190 HydrophobicContact CB-CB 4.35Å; V172-V190 HydrophobicContact CB-CG2 4.2Å; V172-V190 HydrophobicContact CG1-CG2 4.31Å; V172-V190 CarbonylContact O-C 3.58Å; V172-V190 VanDerWaalsContact O-CA 3.27Å; V172-V190 WeakPolarHBondContact O-CA 3.39Å; V172-V191 PolarHBondContact O-N 3.35Å
173F98.9Very high98Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-107.7132.4164-69.5-103.4000108.6V8 I9 F10 D11 L15 L95 F99 L171 V191 L213 F216V8-F173 HydrophobicContact CG1-CD2 3.64Å; V8-F173 HydrophobicContact CG1-CE2 3.6Å; I9-F173 PolarHBondContact O-N 3.36Å; F10-F173 HydrophobicContact CD1-CB 3.68Å; F10-F173 AromaticContact CD1-CD2 3.87Å; F10-F173 HydrophobicContact CD1-CD2 3.87Å; F10-F173 AromaticContact CD1-CG 3.89Å; F10-F173 HydrophobicContact CD1-CG 3.89Å; F10-F173 HydrophobicContact CE1-CB 4.07Å; F10-F173 HydrophobicContact CE1-CD1 4.38Å; F10-F173 AromaticContact CE1-CD2 3.51Å; F10-F173 HydrophobicContact CE1-CD2 3.51Å; F10-F173 AromaticContact CE1-CE2 3.99Å; F10-F173 HydrophobicContact CE1-CE2 3.99Å; F10-F173 AromaticContact CE1-CG 3.74Å; F10-F173 HydrophobicContact CE1-CG 3.74Å; F10-F173 HydrophobicContact CZ-CD2 4.23Å; F10-F173 HydrophobicContact CZ-CE2 4.4Å; D11-F173 PolarHBondContact N-O 3.33Å; L15-F173 HydrophobicContact CD1-CB 4.34Å; L15-F173 HydrophobicContact CD2-CB 3.65Å; L15-F173 WeakPolarHBondContact CD2-O 3.11Å; L95-F173 HydrophobicContact CD2-CD1 4.1Å; L95-F173 HydrophobicContact CD2-CE1 3.68Å; L95-F173 HydrophobicContact CD2-CE2 4.47Å; L95-F173 HydrophobicContact CD2-CZ 3.89Å; F99-F173 HydrophobicContact CE2-CE2 4.1Å; F99-F173 HydrophobicContact CE2-CZ 4.24Å; F99-F173 HydrophobicContact CZ-CZ 4.44Å; L171-F173 HydrophobicContact CD2-CE2 3.7Å; L171-F173 HydrophobicContact CD2-CZ 3.85Å; L171-F173 HydrophobicContact CG-CD2 4.46Å; L171-F173 HydrophobicContact CG-CE2 3.91Å; L171-F173 HydrophobicContact CG-CZ 4.43Å; F173-V191 WeakPolarHBondContact CA-O 3.38Å; F173-V191 HydrophobicContact CD1-CB 3.7Å; F173-V191 HydrophobicContact CD1-CG1 3.93Å; F173-V191 HydrophobicContact CD1-CG2 4.28Å; F173-V191 HydrophobicContact CE1-CB 3.8Å; F173-V191 HydrophobicContact CE1-CG1 3.9Å; F173-V191 HydrophobicContact CE1-CG2 3.92Å; F173-V191 HydrophobicContact CG-CB 4.3Å; F173-V191 HydrophobicContact CZ-CB 4.47Å; F173-V191 HydrophobicContact CZ-CG2 4.17Å; F173-L213 HydrophobicContact CD1-CD2 3.69Å; F173-L213 HydrophobicContact CE1-CD2 4.17Å; F173-F216 HydrophobicContact CE1-CD1 4.19Å; F173-F216 AromaticContact CE1-CD2 3.81Å; F173-F216 HydrophobicContact CE1-CD2 3.81Å; F173-F216 HydrophobicContact CE1-CE1 4.4Å; F173-F216 HydrophobicContact CE1-CE2 4.05Å; F173-F216 AromaticContact CE1-CG 3.89Å; F173-F216 HydrophobicContact CE1-CG 3.89Å; F173-F216 HydrophobicContact CE1-CZ 4.33Å; F173-F216 AromaticContact CZ-CD1 3.99Å; F173-F216 HydrophobicContact CZ-CD1 3.99Å; F173-F216 HydrophobicContact CZ-CD2 4.01Å; F173-F216 AromaticContact CZ-CE1 3.77Å; F173-F216 HydrophobicContact CZ-CE1 3.77Å; F173-F216 AromaticContact CZ-CE2 3.8Å; F173-F216 HydrophobicContact CZ-CE2 3.8Å; F173-F216 HydrophobicContact CZ-CG 4.1Å; F173-F216 AromaticContact CZ-CZ 3.68Å; F173-F216 HydrophobicContact CZ-CZ 3.68Å
174E98.5Very high98.1Very high0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-146.5155.7-172.7-102.6-74.9173.200111.4D11 K147 F153 V172 S176 G179 V180 V190 V191 M192 V193D11-E174 HydrophobicContact CB-CG 4.3Å; K147-E174 VanDerWaalsContact CE-OE1 3.32Å; K147-E174 WeakPolarHBondContact CE-OE1 3.39Å; K147-E174 IonicContact NZ-OE1 3.54Å; K147-E174 PolarHBondContact NZ-OE1 3.06Å; F153-E174 HydrophobicContact CZ-CG 4.09Å; V172-E174 HydrophobicContact CG1-CG 3.91Å; E174-S176 PolarHBondContact OE2-N 3.02Å; E174-S176 VanDerWaalsContact OE2-N 3.08Å; E174-S176 PolarHBondContact OE2-OG 2.88Å; E174-G179 WeakPolarHBondContact OE1-CA 3.47Å; E174-V180 HydrophobicContact CB-CG2 4.27Å; E174-V190 HydrophobicContact CB-CG2 4Å; E174-V191 PolarHBondContact N-O 2.73Å; E174-M192 CarbonylContact O-C 3.45Å; E174-M192 WeakPolarHBondContact O-CA 3.48Å; E174-V193 PolarHBondContact O-N 3.03Å
175D97.7Very high98.1Very high12 Ų1233.1 Ų33.16%0.06417%0.168CC..SBendtrans-107-27.4171.477.5-52.6000111.7L15 M192 V193 P194L15-D175 HydrophobicContact CB-CB 4.38Å; D175-M192 WeakPolarHBondContact O-CE 3.44Å; D175-V193 WeakPolarHBondContact CA-O 3.21Å; D175-V193 WeakPolarHBondContact CB-O 3.19Å; D175-P194 WeakPolarHBondContact O-CA 3.36Å; D175-P194 VanDerWaalsContact O-CB 3.28Å; D175-P194 WeakPolarHBondContact O-CB 3.28Å
176S96.8Very high98.2Very high1 Ų123.5 Ų23.51%0.00713%0.127CC..SBendtrans-101.4143.6-163.975.30000112.7E174 N178 G179 V180E174-S176 PolarHBondContact OE2-N 3.02Å; E174-S176 VanDerWaalsContact OE2-N 3.08Å; E174-S176 PolarHBondContact OE2-OG 2.88Å; S176-N178 PolarHBondContact O-N 3.34Å; S176-G179 PolarHBondContact O-N 3.47Å; S176-G179 VanDerWaalsContact O-N 3.12Å; S176-G179 PolarHBondContact OG-N 3.48Å; S176-V180 WeakPolarHBondContact O-CG2 3.2Å; S176-V180 PolarHBondContact O-N 3.38Å
177P96.9Very high98.2Very high31 Ų3122.7 Ų22.720%0.20113%0.128CC..Hα-helixtrans-57.5-35.7173.9-26.634.6000113.5E181 M192 V198 D202P177-E181 WeakPolarHBondContact O-CB 3.37Å; P177-E181 PolarHBondContact O-N 3.08Å; P177-M192 HydrophobicContact CG-CE 3.97Å; P177-V198 HydrophobicContact CG-CG1 4Å; P177-D202 HydrophobicContact CB-CB 4.11Å; P177-D202 HydrophobicContact CG-CB 3.94Å
178N95.9Very high98.2Very high31 Ų3120 Ų2017%0.16611%0.11CC..Hα-helixtrans-67.2-37.4177.5-76.8-34.4000112.2M47 K147 P148 S176 A182M47-N178 PolarHBondContact O-ND2 2.86Å; K147-N178 HydrophobicContact CB-CB 4.39Å; P148-N178 WeakPolarHBondContact CA-O 3.45Å; P148-N178 HydrophobicContact CB-CB 4.44Å; S176-N178 PolarHBondContact O-N 3.34Å; N178-A182 WeakPolarHBondContact O-CB 3.48Å; N178-A182 PolarHBondContact O-N 3.09Å
179G97.6Very high98.2Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-73.5-38.2176.500000113.3F153 E174 S176 E181 A182 A183F153-G179 WeakPolarHBondContact CE2-O 3.47Å; E174-G179 WeakPolarHBondContact OE1-CA 3.47Å; S176-G179 PolarHBondContact O-N 3.47Å; S176-G179 VanDerWaalsContact O-N 3.12Å; S176-G179 PolarHBondContact OG-N 3.48Å; G179-E181 VanDerWaalsContact C-N 3.34Å; G179-E181 PolarHBondContact O-N 3.23Å; G179-A182 PolarHBondContact O-N 3.03Å; G179-A183 WeakPolarHBondContact O-CB 3.29Å; G179-A183 PolarHBondContact O-N 3.19Å
180V98.3Very high98.2Very high1 Ų118.6 Ų18.61%0.00610%0.099CC..Hα-helixtrans-55.4-50.2168.71690000110.7E174 S176 A182 A183 L184 V190 M192 K205 A206E174-V180 HydrophobicContact CB-CG2 4.27Å; S176-V180 WeakPolarHBondContact O-CG2 3.2Å; S176-V180 PolarHBondContact O-N 3.38Å; V180-A182 VanDerWaalsContact C-N 3.35Å; V180-A182 PolarHBondContact O-N 3.43Å; V180-A183 PolarHBondContact O-N 2.92Å; V180-L184 HydrophobicContact CG1-CD1 3.85Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 VanDerWaalsContact O-CG 3.27Å; V180-L184 WeakPolarHBondContact O-CG 3.4Å; V180-L184 PolarHBondContact O-N 3.23Å; V180-V190 HydrophobicContact CG1-CG1 3.98Å; V180-V190 HydrophobicContact CG2-CG2 4.09Å; V180-M192 HydrophobicContact CG2-CB 3.91Å; V180-M192 HydrophobicContact CG2-CE 4Å; V180-M192 HydrophobicContact CG2-CG 3.69Å; V180-M192 HydrophobicContact CG2-SD 3.79Å; V180-K205 HydrophobicContact CG1-CB 4.08Å; V180-A206 HydrophobicContact CG1-CB 4.13Å; V180-A206 HydrophobicContact CG2-CB 4.4Å
181E98.1Very high98.2Very high58 Ų5818.6 Ų18.627%0.27110%0.099SC..Hα-helixtrans-60.3-42.6178.1-177.967.2-169.100112.1P148 P177 G179 L184 R185P148-E181 HydrophobicContact CB-CB 3.98Å; P148-E181 HydrophobicContact CB-CG 3.81Å; P177-E181 WeakPolarHBondContact O-CB 3.37Å; P177-E181 PolarHBondContact O-N 3.08Å; G179-E181 VanDerWaalsContact C-N 3.34Å; G179-E181 PolarHBondContact O-N 3.23Å; E181-L184 PolarHBondContact O-N 3.29Å; E181-R185 WeakPolarHBondContact O-CB 3.2Å; E181-R185 VanDerWaalsContact O-CG 3.26Å; E181-R185 WeakPolarHBondContact O-CG 3.39Å; E181-R185 PolarHBondContact O-N 3.42Å; E181-R185 IonicContact OE1-CZ 2.62Å; E181-R185 IonicContact OE1-NE 3.07Å; E181-R185 PolarHBondContact OE1-NE 3.22Å; E181-R185 IonicContact OE1-NH2 2.67Å; E181-R185 PolarHBondContact OE1-NH2 2.97Å
182A98.1Very high98.2Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-62.5-43.2176.700000112.5K147 D149 F153 N178 G179 V180 R185 A186K147-A182 HydrophobicContact CB-CB 4.19Å; K147-A182 HydrophobicContact CG-CB 3.97Å; D149-A182 WeakPolarHBondContact O-CB 3.34Å; F153-A182 HydrophobicContact CD2-CB 3.78Å; F153-A182 HydrophobicContact CE2-CB 3.75Å; N178-A182 WeakPolarHBondContact O-CB 3.48Å; N178-A182 PolarHBondContact O-N 3.09Å; G179-A182 PolarHBondContact O-N 3.03Å; V180-A182 VanDerWaalsContact C-N 3.35Å; V180-A182 PolarHBondContact O-N 3.43Å; A182-R185 PolarHBondContact O-N 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 2.84Å
183A98.7Very high98.2Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-64-44.4178.300000111.7F153 V172 G179 V180 A186 G187 M188 V190F153-A183 HydrophobicContact CD2-CB 4.17Å; F153-A183 HydrophobicContact CE2-CB 4.04Å; V172-A183 HydrophobicContact CB-CB 3.84Å; V172-A183 HydrophobicContact CG1-CB 3.98Å; V172-A183 HydrophobicContact CG2-CB 3.8Å; G179-A183 WeakPolarHBondContact O-CB 3.29Å; G179-A183 PolarHBondContact O-N 3.19Å; V180-A183 PolarHBondContact O-N 2.92Å; A183-A186 WeakPolarHBondContact O-CB 3.44Å; A183-A186 PolarHBondContact O-N 3.29Å; A183-G187 PolarHBondContact O-N 2.69Å; A183-M188 WeakPolarHBondContact O-CB 3.3Å; A183-M188 PolarHBondContact O-N 2.92Å; A183-V190 HydrophobicContact CB-CB 3.93Å; A183-V190 HydrophobicContact CB-CG2 4.14Å
184L98.7Very high98.2Very high60 Ų6019.6 Ų19.631%0.31411%0.105SC..Hα-helixtrans-64.5-41.8177.4-65.5171.5000111.8V180 E181 A186 G187 V190 K205V180-L184 HydrophobicContact CG1-CD1 3.85Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 VanDerWaalsContact O-CG 3.27Å; V180-L184 WeakPolarHBondContact O-CG 3.4Å; V180-L184 PolarHBondContact O-N 3.23Å; E181-L184 PolarHBondContact O-N 3.29Å; L184-A186 PolarHBondContact O-N 3.42Å; L184-G187 PolarHBondContact O-N 3.32Å; L184-V190 HydrophobicContact CD2-CG1 3.86Å; L184-V190 HydrophobicContact CG-CG1 4.01Å; L184-K205 HydrophobicContact CD1-CB 4.4Å; L184-K205 VanDerWaalsContact CD1-O 3.27Å; L184-K205 WeakPolarHBondContact CD1-O 3.41Å
185R98.7Very high98.1Very high133 Ų13321.4 Ų21.450%0.50212%0.115SC..Hα-helixtrans-63.3-29.8174.8-75.5175.3-175.8179.13.7113.1P148 P150 E181 A182 G187P148-R185 WeakPolarHBondContact O-CD 3.49Å; P148-R185 PolarHBondContact O-NH1 3.01Å; P148-R185 VanDerWaalsContact O-NH1 3.16Å; P150-R185 HydrophobicContact CB-CB 3.91Å; P150-R185 HydrophobicContact CG-CB 4.04Å; E181-R185 WeakPolarHBondContact O-CB 3.2Å; E181-R185 VanDerWaalsContact O-CG 3.26Å; E181-R185 WeakPolarHBondContact O-CG 3.39Å; E181-R185 PolarHBondContact O-N 3.42Å; E181-R185 IonicContact OE1-CZ 2.62Å; E181-R185 IonicContact OE1-NE 3.07Å; E181-R185 PolarHBondContact OE1-NE 3.22Å; E181-R185 IonicContact OE1-NH2 2.67Å; E181-R185 PolarHBondContact OE1-NH2 2.97Å; A182-R185 PolarHBondContact O-N 3.29Å; R185-G187 PolarHBondContact O-N 2.94Å
186A98.6Very high98Very high8 Ų828.8 Ų28.87%0.06615%0.147CC..THydrogen-bonded Turntrans-75.3-2.8173.800000112.8P150 F153 E154 P167 A182 A183 L184 M188P150-A186 HydrophobicContact CB-CB 3.69Å; F153-A186 HydrophobicContact CB-CB 4.24Å; E154-A186 HydrophobicContact CG-CB 4.15Å; P167-A186 WeakPolarHBondContact CB-O 3.49Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 2.84Å; A183-A186 WeakPolarHBondContact O-CB 3.44Å; A183-A186 PolarHBondContact O-N 3.29Å; L184-A186 PolarHBondContact O-N 3.42Å; A186-M188 VanDerWaalsContact C-N 3.3Å; A186-M188 HydrophobicContact CB-CE 3.99Å; A186-M188 HydrophobicContact CB-CG 3.97Å; A186-M188 HydrophobicContact CB-SD 4.12Å
187G98.6Very high98Very high39 Ų3933.5 Ų33.540%0.40217%0.165SC..THydrogen-bonded Turntrans7616.6-176.300000114P167 S168 A183 L184 R185P167-G187 CarbonylContact C-O 3.53Å; P167-G187 VanDerWaalsContact C-O 3.31Å; S168-G187 VanDerWaalsContact CA-O 3.3Å; S168-G187 WeakPolarHBondContact CA-O 3.3Å; S168-G187 PolarHBondContact N-O 3.37Å; S168-G187 VanDerWaalsContact N-O 3.13Å; A183-G187 PolarHBondContact O-N 2.69Å; L184-G187 PolarHBondContact O-N 3.32Å; R185-G187 PolarHBondContact O-N 2.94Å
188M98.8Very high97.9Very high10 Ų1032.6 Ų32.65%0.04916%0.158CC..  trans-93.5165.1-178.3-56.1-179.5179.800111.5I9 F153 S157 P167 V170 V172 A183 A186I9-M188 HydrophobicContact CD1-CE 4.48Å; I9-M188 HydrophobicContact CD1-SD 4.33Å; F153-M188 HydrophobicContact CB-CE 4.04Å; F153-M188 HydrophobicContact CB-SD 3.91Å; F153-M188 WeakPolarHBondContact O-CE 3.34Å; S157-M188 VanDerWaalsContact CB-CE 3.45Å; P167-M188 HydrophobicContact CB-CG 4.32Å; P167-M188 WeakPolarHBondContact O-CA 3.43Å; V170-M188 HydrophobicContact CB-CB 4.37Å; V170-M188 HydrophobicContact CB-CE 4.41Å; V170-M188 HydrophobicContact CB-CG 3.98Å; V170-M188 HydrophobicContact CB-SD 3.95Å; V170-M188 HydrophobicContact CG1-CE 4.37Å; V170-M188 HydrophobicContact CG1-CG 4.39Å; V170-M188 HydrophobicContact CG1-SD 3.73Å; V170-M188 HydrophobicContact CG2-CE 4.42Å; V172-M188 HydrophobicContact CG2-CB 4.05Å; V172-M188 HydrophobicContact CG2-SD 3.65Å; A183-M188 WeakPolarHBondContact O-CB 3.3Å; A183-M188 PolarHBondContact O-N 2.92Å; A186-M188 VanDerWaalsContact C-N 3.3Å; A186-M188 HydrophobicContact CB-CE 3.99Å; A186-M188 HydrophobicContact CB-CG 3.97Å; A186-M188 HydrophobicContact CB-SD 4.12Å
189Q98.8Very high97.9Very high7 Ų733.5 Ų33.53%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-89150.8169.2-60.8-176.384.300109.7Q3 S168 V170 L171 V172 T207 F221Q3-Q189 PolarHBondContact O-NE2 2.8Å; Q3-Q189 PolarHBondContact O-OE1 3.28Å; S168-Q189 PolarHBondContact O-NE2 3.34Å; V170-Q189 PolarHBondContact O-N 2.72Å; L171-Q189 HydrophobicContact CD1-CB 3.76Å; V172-Q189 PolarHBondContact N-O 3.13Å; Q189-T207 HydrophobicContact CB-CG2 4.46Å; Q189-F221 HydrophobicContact CB-CE1 4.11Å; Q189-F221 VanDerWaalsContact OE1-CD1 3.28Å; Q189-F221 VanDerWaalsContact OE1-CE1 3.28Å
190V98.9Very high97.9Very high0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-138.5127.9-178.363.10000113.3V172 E174 V180 A183 L184 A206 T207 L208V172-V190 HydrophobicContact CB-CB 4.35Å; V172-V190 HydrophobicContact CB-CG2 4.2Å; V172-V190 HydrophobicContact CG1-CG2 4.31Å; V172-V190 CarbonylContact O-C 3.58Å; V172-V190 VanDerWaalsContact O-CA 3.27Å; V172-V190 WeakPolarHBondContact O-CA 3.39Å; E174-V190 HydrophobicContact CB-CG2 4Å; V180-V190 HydrophobicContact CG1-CG1 3.98Å; V180-V190 HydrophobicContact CG2-CG2 4.09Å; A183-V190 HydrophobicContact CB-CB 3.93Å; A183-V190 HydrophobicContact CB-CG2 4.14Å; L184-V190 HydrophobicContact CD2-CG1 3.86Å; L184-V190 HydrophobicContact CG-CG1 4.01Å; V190-A206 HydrophobicContact CG1-CB 4.16Å; V190-T207 PolarHBondContact N-OG1 3.09Å; V190-T207 WeakPolarHBondContact O-CA 3.41Å; V190-T207 VanDerWaalsContact O-CB 3.23Å; V190-T207 WeakPolarHBondContact O-CB 3.42Å; V190-T207 PolarHBondContact O-N 2.77Å; V190-L208 PolarHBondContact O-N 3.26Å; V190-L208 VanDerWaalsContact O-N 3.15Å
191V98.9Very high97.9Very high0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-94.9118.4165-176.60000108.1L171 V172 F173 E174 V193 L208 L210 F216 F221L171-V191 HydrophobicContact CD1-CG2 3.83Å; L171-V191 HydrophobicContact CD2-CG2 4.15Å; L171-V191 HydrophobicContact CG-CG2 4.18Å; V172-V191 PolarHBondContact O-N 3.35Å; F173-V191 WeakPolarHBondContact CA-O 3.38Å; F173-V191 HydrophobicContact CD1-CB 3.7Å; F173-V191 HydrophobicContact CD1-CG1 3.93Å; F173-V191 HydrophobicContact CD1-CG2 4.28Å; F173-V191 HydrophobicContact CE1-CB 3.8Å; F173-V191 HydrophobicContact CE1-CG1 3.9Å; F173-V191 HydrophobicContact CE1-CG2 3.92Å; F173-V191 HydrophobicContact CG-CB 4.3Å; F173-V191 HydrophobicContact CZ-CB 4.47Å; F173-V191 HydrophobicContact CZ-CG2 4.17Å; E174-V191 PolarHBondContact N-O 2.73Å; V191-V193 HydrophobicContact CG1-CG2 4.48Å; V191-L208 CarbonylContact C-O 3.54Å; V191-L208 VanDerWaalsContact CA-O 3.28Å; V191-L208 WeakPolarHBondContact CA-O 3.5Å; V191-L208 HydrophobicContact CG2-CB 4.42Å; V191-L208 HydrophobicContact CG2-CD2 4.47Å; V191-L210 HydrophobicContact CG1-CD1 3.75Å; V191-L210 HydrophobicContact CG1-CG 4.25Å; V191-F216 HydrophobicContact CG1-CD2 4.19Å; V191-F216 HydrophobicContact CG2-CD2 4Å; V191-F216 HydrophobicContact CG2-CE2 3.68Å; V191-F221 HydrophobicContact CG2-CE2 3.94Å; V191-F221 HydrophobicContact CG2-CZ 3.96Å
192M98.8Very high97.8Very high0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-95.4131.5175.3-166.8-174.9-161.100110.4E174 D175 P177 V180 P194 V198 A206 L208 C209 L210E174-M192 CarbonylContact O-C 3.45Å; E174-M192 WeakPolarHBondContact O-CA 3.48Å; D175-M192 WeakPolarHBondContact O-CE 3.44Å; P177-M192 HydrophobicContact CG-CE 3.97Å; V180-M192 HydrophobicContact CG2-CB 3.91Å; V180-M192 HydrophobicContact CG2-CE 4Å; V180-M192 HydrophobicContact CG2-CG 3.69Å; V180-M192 HydrophobicContact CG2-SD 3.79Å; M192-P194 HydrophobicContact CE-CB 3.69Å; M192-P194 HydrophobicContact CE-CG 4.21Å; M192-P194 HydrophobicContact CG-CB 3.94Å; M192-P194 HydrophobicContact CG-CG 3.87Å; M192-P194 HydrophobicContact SD-CB 4.03Å; M192-P194 HydrophobicContact SD-CG 3.9Å; M192-V198 HydrophobicContact CE-CG1 4.02Å; M192-A206 HydrophobicContact CB-CB 3.58Å; M192-A206 HydrophobicContact SD-CB 4.48Å; M192-L208 PolarHBondContact N-O 3.11Å; M192-C209 HydrophobicContact CB-CB 4.47Å; M192-C209 WeakPolarHBondContact O-CA 3.47Å; M192-L210 PolarHBondContact O-N 3.39Å
193V98.7Very high97.8Very high9 Ų946.1 Ų46.16%0.05523%0.233CC..  trans-123.680.7168.1-172.40000108.9L15 E174 D175 V191 L210 L213L15-V193 HydrophobicContact CD1-CB 3.95Å; L15-V193 HydrophobicContact CD1-CG2 4.2Å; E174-V193 PolarHBondContact O-N 3.03Å; D175-V193 WeakPolarHBondContact CA-O 3.21Å; D175-V193 WeakPolarHBondContact CB-O 3.19Å; V191-V193 HydrophobicContact CG1-CG2 4.48Å; V193-L210 WeakPolarHBondContact CA-O 3.3Å; V193-L210 HydrophobicContact CG2-CB 4.36Å; V193-L213 HydrophobicContact CG2-CD2 3.73Å; V193-L213 HydrophobicContact CG2-CG 4.18Å
194P97.7Very high97.8Very high12 Ų1252.1 Ų52.18%0.07827%0.265CS..  trans-95.5164.1-168.135.7-30.5000113.2D175 M192 F196 V198 R203 L210D175-P194 WeakPolarHBondContact O-CA 3.36Å; D175-P194 VanDerWaalsContact O-CB 3.28Å; D175-P194 WeakPolarHBondContact O-CB 3.28Å; M192-P194 HydrophobicContact CE-CB 3.69Å; M192-P194 HydrophobicContact CE-CG 4.21Å; M192-P194 HydrophobicContact CG-CB 3.94Å; M192-P194 HydrophobicContact CG-CG 3.87Å; M192-P194 HydrophobicContact SD-CB 4.03Å; M192-P194 HydrophobicContact SD-CG 3.9Å; P194-F196 PolarHBondContact O-N 3.18Å; P194-V198 HydrophobicContact CB-CB 4.03Å; P194-V198 HydrophobicContact CB-CG1 4.36Å; P194-V198 HydrophobicContact CB-CG2 3.92Å; P194-R203 HydrophobicContact CG-CG 4.1Å; P194-L210 WeakPolarHBondContact CD-O 3.12Å
195D96.5Very high97.7Very high38 Ų3853.3 Ų53.320%0.20327%0.267CS..  trans-52.2139.8165.5-173.5-64.6000110.5W40 R197 V198 R203W40-D195 HydrophobicContact CH2-CB 3.92Å; W40-D195 HydrophobicContact CZ3-CB 4.28Å; D195-R197 PolarHBondContact O-N 3.31Å; D195-R197 WeakPolarHBondContact OD1-CB 3.4Å; D195-R197 WeakPolarHBondContact OD1-CG 3.46Å; D195-R197 IonicContact OD1-CZ 3.14Å; D195-R197 PolarHBondContact OD1-N 2.91Å; D195-R197 IonicContact OD1-NE 2.96Å; D195-R197 PolarHBondContact OD1-NE 3.45Å; D195-R197 IonicContact OD1-NH2 2.9Å; D195-R197 IonicContact OD2-CZ 2.77Å; D195-R197 IonicContact OD2-NE 3.41Å; D195-R197 IonicContact OD2-NH2 2.65Å; D195-R197 PolarHBondContact OD2-NH2 3.39Å; D195-V198 HydrophobicContact CB-CG2 4.26Å; D195-V198 WeakPolarHBondContact O-CB 3.31Å; D195-V198 WeakPolarHBondContact O-CG2 3.46Å; D195-V198 PolarHBondContact O-N 3.43Å; D195-R203 PolarHBondContact O-NH2 2.93Å
196F95.9Very high97.7Very high166 Ų16647.7 Ų47.773%0.72825%0.249SC*.THydrogen-bonded Turntrans-56.3-21.8-177.476.8-87000113.5P194P194-F196 PolarHBondContact O-N 3.18Å
197R96.4Very high97.7Very high101 Ų10149.6 Ų49.638%0.38126%0.26SS..THydrogen-bonded Turntrans-87-7.8179.8-61.1168.6-72.7-171.8-3.9114.2W40 D195W40-R197 HydrophobicContact CD2-CB 3.85Å; W40-R197 HydrophobicContact CE3-CB 4.33Å; W40-R197 HydrophobicContact CG-CB 4.42Å; W40-R197 HydrophobicContact CH2-CB 4Å; W40-R197 HydrophobicContact CZ2-CB 3.48Å; W40-R197 VanDerWaalsContact CZ2-CB 3.48Å; W40-R197 HydrophobicContact CZ3-CB 4.39Å; D195-R197 PolarHBondContact O-N 3.31Å; D195-R197 WeakPolarHBondContact OD1-CB 3.4Å; D195-R197 WeakPolarHBondContact OD1-CG 3.46Å; D195-R197 IonicContact OD1-CZ 3.14Å; D195-R197 PolarHBondContact OD1-N 2.91Å; D195-R197 IonicContact OD1-NE 2.96Å; D195-R197 PolarHBondContact OD1-NE 3.45Å; D195-R197 IonicContact OD1-NH2 2.9Å; D195-R197 IonicContact OD2-CZ 2.77Å; D195-R197 IonicContact OD2-NE 3.41Å; D195-R197 IonicContact OD2-NH2 2.65Å; D195-R197 PolarHBondContact OD2-NH2 3.39Å
198V96.3Very high97.7Very high12 Ų1249.6 Ų49.67%0.07325%0.251CS..SBendtrans-63.4135.9173.8174.80000109.8W40 P177 M192 P194 D195 D202 R203W40-V198 HydrophobicContact CH2-CG2 4.14Å; W40-V198 HydrophobicContact CZ2-CG2 4.21Å; P177-V198 HydrophobicContact CG-CG1 4Å; M192-V198 HydrophobicContact CE-CG1 4.02Å; P194-V198 HydrophobicContact CB-CB 4.03Å; P194-V198 HydrophobicContact CB-CG1 4.36Å; P194-V198 HydrophobicContact CB-CG2 3.92Å; D195-V198 HydrophobicContact CB-CG2 4.26Å; D195-V198 WeakPolarHBondContact O-CB 3.31Å; D195-V198 WeakPolarHBondContact O-CG2 3.46Å; D195-V198 PolarHBondContact O-N 3.43Å; V198-D202 HydrophobicContact CG1-CB 3.78Å; V198-R203 HydrophobicContact CG1-CG 4.27Å; V198-R203 PolarHBondContact O-NE 3.36Å; V198-R203 VanDerWaalsContact O-NE 3.09Å
199S95.6Very high97.7Very high49 Ų4951.1 Ų51.134%0.34326%0.262SS..  trans-59.8149.3-173.579.60000112.7E201 D202 R203S199-E201 PolarHBondContact O-N 3.14Å; S199-D202 PolarHBondContact O-N 2.83Å; S199-D202 WeakPolarHBondContact OG-CB 3.32Å; S199-D202 VanDerWaalsContact OG-CG 3.28Å; S199-D202 PolarHBondContact OG-N 3.38Å; S199-D202 PolarHBondContact OG-OD2 3.3Å; S199-R203 VanDerWaalsContact O-CG 3.3Å; S199-R203 WeakPolarHBondContact O-CG 3.16Å; S199-R203 PolarHBondContact O-N 3.25Å
200T97.2Very high97.7Very high101 Ų10151.9 Ų51.962%0.6227%0.266SS*.Hα-helixtrans-58.9-34.5172.9-49.80000111.7R203 N204T200-R203 PolarHBondContact O-N 3.27Å; T200-N204 WeakPolarHBondContact O-CB 3.32Å; T200-N204 PolarHBondContact O-N 2.99Å; T200-N204 PolarHBondContact O-ND2 3.44Å
201E97.5Very high97.6Very high144 Ų14457.6 Ų57.667%0.67330%0.296SS*.Hα-helixtrans-61-47.4176.6-174.7-176.6160.100111.5S199 N204S199-E201 PolarHBondContact O-N 3.14Å; E201-N204 PolarHBondContact O-N 3.44Å
202D96.7Very high97.6Very high40 Ų4058.4 Ų58.421%0.21430%0.302CS..Hα-helixtrans-68.6-40.3177.6-68.1-49000111.9P177 V198 S199 N204 K205P177-D202 HydrophobicContact CB-CB 4.11Å; P177-D202 HydrophobicContact CG-CB 3.94Å; V198-D202 HydrophobicContact CG1-CB 3.78Å; S199-D202 PolarHBondContact O-N 2.83Å; S199-D202 WeakPolarHBondContact OG-CB 3.32Å; S199-D202 VanDerWaalsContact OG-CG 3.28Å; S199-D202 PolarHBondContact OG-N 3.38Å; S199-D202 PolarHBondContact OG-OD2 3.3Å; D202-N204 PolarHBondContact O-N 3.38Å; D202-K205 WeakPolarHBondContact O-CB 3.34Å; D202-K205 PolarHBondContact O-N 2.94Å; D202-K205 VanDerWaalsContact O-N 3.15Å; D202-K205 IonicContact OD1-NZ 2.79Å; D202-K205 PolarHBondContact OD1-NZ 3.34Å
203R98.2Very high97.6Very high40 Ų4058.6 Ų58.615%0.15130%0.303CS..Hα-helixtrans-57.7-38175.8-73.1173.6172.2-101.2-10.5112.2P194 D195 V198 S199 T200 K205 D211P194-R203 HydrophobicContact CG-CG 4.1Å; D195-R203 PolarHBondContact O-NH2 2.93Å; V198-R203 HydrophobicContact CG1-CG 4.27Å; V198-R203 PolarHBondContact O-NE 3.36Å; V198-R203 VanDerWaalsContact O-NE 3.09Å; S199-R203 VanDerWaalsContact O-CG 3.3Å; S199-R203 WeakPolarHBondContact O-CG 3.16Å; S199-R203 PolarHBondContact O-N 3.25Å; T200-R203 PolarHBondContact O-N 3.27Å; R203-K205 PolarHBondContact O-N 2.8Å; R203-D211 IonicContact NH1-OD1 2.71Å; R203-D211 PolarHBondContact NH1-OD1 3.38Å; R203-D211 VanDerWaalsContact NH1-OD1 3.15Å
204N97.9Very high97.6Very high126 Ų12662.3 Ų62.367%0.67432%0.322SS*.THydrogen-bonded Turntrans-73.5-9.9-178.5-73.4-15.7000114.1T200 E201 D202T200-N204 WeakPolarHBondContact O-CB 3.32Å; T200-N204 PolarHBondContact O-N 2.99Å; T200-N204 PolarHBondContact O-ND2 3.44Å; E201-N204 PolarHBondContact O-N 3.44Å; D202-N204 PolarHBondContact O-N 3.38Å
205K97.7Very high97.6Very high85 Ų8567.1 Ų67.137%0.3734%0.344SS..THydrogen-bonded Turntrans-74.8-31.2176.8-65.2171.7-174164.90112.2V180 L184 D202 R203V180-K205 HydrophobicContact CG1-CB 4.08Å; L184-K205 HydrophobicContact CD1-CB 4.4Å; L184-K205 VanDerWaalsContact CD1-O 3.27Å; L184-K205 WeakPolarHBondContact CD1-O 3.41Å; D202-K205 WeakPolarHBondContact O-CB 3.34Å; D202-K205 PolarHBondContact O-N 2.94Å; D202-K205 VanDerWaalsContact O-N 3.15Å; D202-K205 IonicContact OD1-NZ 2.79Å; D202-K205 PolarHBondContact OD1-NZ 3.34Å; R203-K205 PolarHBondContact O-N 2.8Å
206A98.4Very high97.7Very high15 Ų1565.5 Ų65.512%0.12434%0.335CS..SBendtrans-67.8157-176.600000112.7V180 V190 M192 L208V180-A206 HydrophobicContact CG1-CB 4.13Å; V180-A206 HydrophobicContact CG2-CB 4.4Å; V190-A206 HydrophobicContact CG1-CB 4.16Å; M192-A206 HydrophobicContact CB-CB 3.58Å; M192-A206 HydrophobicContact SD-CB 4.48Å; A206-L208 VanDerWaalsContact C-N 3.3Å
207T98.6Very high97.8Very high48 Ų4863.2 Ų63.229%0.29433%0.325SS..SBendtrans-65.1-39173.4-47.70000111.1T2 Q189 V190 F221T2-T207 HydrophobicContact CG2-CG2 4.03Å; Q189-T207 HydrophobicContact CB-CG2 4.46Å; V190-T207 PolarHBondContact N-OG1 3.09Å; V190-T207 WeakPolarHBondContact O-CA 3.41Å; V190-T207 VanDerWaalsContact O-CB 3.23Å; V190-T207 WeakPolarHBondContact O-CB 3.42Å; V190-T207 PolarHBondContact O-N 2.77Å; T207-F221 HydrophobicContact CG2-CE1 3.95Å; T207-F221 HydrophobicContact CG2-CZ 4.25Å
208L98.5Very high97.9Very high39 Ų3958.4 Ų58.420%0.20431%0.306CS..EExtended strand (participates in β ladder)trans-143.9136.3172.7178.464.1000108.3V190 V191 M192 A206 L210 F216 L220 F221V190-L208 PolarHBondContact O-N 3.26Å; V190-L208 VanDerWaalsContact O-N 3.15Å; V191-L208 CarbonylContact C-O 3.54Å; V191-L208 VanDerWaalsContact CA-O 3.28Å; V191-L208 WeakPolarHBondContact CA-O 3.5Å; V191-L208 HydrophobicContact CG2-CB 4.42Å; V191-L208 HydrophobicContact CG2-CD2 4.47Å; M192-L208 PolarHBondContact N-O 3.11Å; A206-L208 VanDerWaalsContact C-N 3.3Å; L208-L210 HydrophobicContact CD1-CD2 4.14Å; L208-L210 HydrophobicContact CD2-CD1 4.08Å; L208-L210 HydrophobicContact CD2-CD2 4.11Å; L208-L210 HydrophobicContact CD2-CG 4.17Å; L208-L210 HydrophobicContact CG-CD1 4.47Å; L208-L210 HydrophobicContact CG-CD2 4.03Å; L208-L210 HydrophobicContact CG-CG 4.04Å; L208-F216 HydrophobicContact CD2-CD2 4.34Å; L208-L220 HydrophobicContact CD2-CD1 3.88Å; L208-F221 HydrophobicContact CB-CE2 4.45Å; L208-F221 HydrophobicContact CB-CZ 4.12Å; L208-F221 HydrophobicContact CD2-CE2 3.96Å; L208-F221 HydrophobicContact CD2-CZ 4.46Å
209C98.6Very high98Very high41 Ų4162 Ų6228%0.27732%0.322SS..EExtended strand (participates in β ladder)trans-119.1132.6174.4-172.50000109.3M192M192-C209 HydrophobicContact CB-CB 4.47Å; M192-C209 WeakPolarHBondContact O-CA 3.47Å
210L98.6Very high98.1Very high24 Ų2463.3 Ų63.313%0.12633%0.325CS..  trans-133.8152.8-176-57.2172.5000109.9V191 M192 V193 P194 L208 S212 H215 F216V191-L210 HydrophobicContact CG1-CD1 3.75Å; V191-L210 HydrophobicContact CG1-CG 4.25Å; M192-L210 PolarHBondContact O-N 3.39Å; V193-L210 WeakPolarHBondContact CA-O 3.3Å; V193-L210 HydrophobicContact CG2-CB 4.36Å; P194-L210 WeakPolarHBondContact CD-O 3.12Å; L208-L210 HydrophobicContact CD1-CD2 4.14Å; L208-L210 HydrophobicContact CD2-CD1 4.08Å; L208-L210 HydrophobicContact CD2-CD2 4.11Å; L208-L210 HydrophobicContact CD2-CG 4.17Å; L208-L210 HydrophobicContact CG-CD1 4.47Å; L208-L210 HydrophobicContact CG-CD2 4.03Å; L208-L210 HydrophobicContact CG-CG 4.04Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-H215 HydrophobicContact CD2-CB 4.32Å; L210-F216 HydrophobicContact CD1-CB 3.8Å; L210-F216 HydrophobicContact CD1-CD2 4.1Å; L210-F216 HydrophobicContact CD1-CG 4.47Å
211D98.1Very high98.2Very high119 Ų11958.5 Ų58.564%0.63630%0.296SS*.SBendtrans-84.8-9.8174.2-59.2-42.7000113.1R203R203-D211 IonicContact NH1-OD1 2.71Å; R203-D211 PolarHBondContact NH1-OD1 3.38Å; R203-D211 VanDerWaalsContact NH1-OD1 3.15Å
212S98.6Very high98.2Very high18 Ų1857.3 Ų57.313%0.12629%0.294CS..  trans-159.6148.5178.2-1780000111.6P90 L210 L214 H215P90-S212 PolarHBondContact O-OG 3.11Å; L210-S212 VanDerWaalsContact C-N 3.33Å; S212-L214 PolarHBondContact O-N 2.9Å; S212-L214 PolarHBondContact OG-N 3.34Å; S212-L214 VanDerWaalsContact OG-N 3.16Å; S212-H215 PolarHBondContact O-N 2.74Å
213L98.7Very high98.3Very high3 Ų355.8 Ų55.82%0.01629%0.286CS..G310 helixtrans-61.6-21.7169.2-63.8170.2000112.2L15 L16 P90 A92 L95 F173 V193 H215 F216L15-L213 HydrophobicContact CD1-CD2 4.05Å; L15-L213 WeakPolarHBondContact O-CD1 3.46Å; L16-L213 HydrophobicContact CD2-CD1 4.37Å; P90-L213 WeakPolarHBondContact O-CB 3.44Å; A92-L213 HydrophobicContact CB-CD1 4Å; L95-L213 HydrophobicContact CD2-CD2 3.87Å; F173-L213 HydrophobicContact CD1-CD2 3.69Å; F173-L213 HydrophobicContact CE1-CD2 4.17Å; V193-L213 HydrophobicContact CG2-CD2 3.73Å; V193-L213 HydrophobicContact CG2-CG 4.18Å; L213-H215 PolarHBondContact O-N 2.79Å; L213-F216 WeakPolarHBondContact O-CB 3.42Å; L213-F216 PolarHBondContact O-N 3.07Å
214L98.2Very high98.3Very high88 Ų8856.7 Ų56.746%0.46130%0.297SS..G310 helixtrans-62.5-25.6173.2-68.5172000113P90 S212P90-L214 HydrophobicContact CB-CD1 3.88Å; P90-L214 HydrophobicContact CB-CG 4.27Å; S212-L214 PolarHBondContact O-N 2.9Å; S212-L214 PolarHBondContact OG-N 3.34Å; S212-L214 VanDerWaalsContact OG-N 3.16Å
215H98.3Very high98.3Very high113 Ų11354.9 Ų54.952%0.52329%0.29SS..G310 helixtrans-90.1-3-178.2-58161.4000113.1L210 S212 L213L210-H215 HydrophobicContact CD2-CB 4.32Å; S212-H215 PolarHBondContact O-N 2.74Å; L213-H215 PolarHBondContact O-N 2.79Å
216F98.5Very high98.2Very high4 Ų452.4 Ų52.42%0.01828%0.279CS..  trans-67140.4179.1179.7-107.1000111.1L95 F99 L171 F173 V191 L208 L210 L213 P218 F221 F226L95-F216 HydrophobicContact CD1-CD1 3.61Å; L95-F216 HydrophobicContact CD1-CE1 4.08Å; F99-F216 HydrophobicContact CE1-CE1 4.47Å; F99-F216 AromaticContact CZ-CE1 3.73Å; F99-F216 HydrophobicContact CZ-CE1 3.73Å; F99-F216 HydrophobicContact CZ-CZ 4.46Å; L171-F216 HydrophobicContact CD2-CE2 4.08Å; L171-F216 HydrophobicContact CD2-CZ 3.74Å; F173-F216 HydrophobicContact CE1-CD1 4.19Å; F173-F216 AromaticContact CE1-CD2 3.81Å; F173-F216 HydrophobicContact CE1-CD2 3.81Å; F173-F216 HydrophobicContact CE1-CE1 4.4Å; F173-F216 HydrophobicContact CE1-CE2 4.05Å; F173-F216 AromaticContact CE1-CG 3.89Å; F173-F216 HydrophobicContact CE1-CG 3.89Å; F173-F216 HydrophobicContact CE1-CZ 4.33Å; F173-F216 AromaticContact CZ-CD1 3.99Å; F173-F216 HydrophobicContact CZ-CD1 3.99Å; F173-F216 HydrophobicContact CZ-CD2 4.01Å; F173-F216 AromaticContact CZ-CE1 3.77Å; F173-F216 HydrophobicContact CZ-CE1 3.77Å; F173-F216 AromaticContact CZ-CE2 3.8Å; F173-F216 HydrophobicContact CZ-CE2 3.8Å; F173-F216 HydrophobicContact CZ-CG 4.1Å; F173-F216 AromaticContact CZ-CZ 3.68Å; F173-F216 HydrophobicContact CZ-CZ 3.68Å; V191-F216 HydrophobicContact CG1-CD2 4.19Å; V191-F216 HydrophobicContact CG2-CD2 4Å; V191-F216 HydrophobicContact CG2-CE2 3.68Å; L208-F216 HydrophobicContact CD2-CD2 4.34Å; L210-F216 HydrophobicContact CD1-CB 3.8Å; L210-F216 HydrophobicContact CD1-CD2 4.1Å; L210-F216 HydrophobicContact CD1-CG 4.47Å; L213-F216 WeakPolarHBondContact O-CB 3.42Å; L213-F216 PolarHBondContact O-N 3.07Å; F216-P218 HydrophobicContact CD1-CG 4.15Å; F216-P218 HydrophobicContact CE1-CB 4.08Å; F216-P218 HydrophobicContact CE1-CG 3.81Å; F216-F221 AromaticContact CE2-CD2 3.75Å; F216-F221 HydrophobicContact CE2-CD2 3.75Å; F216-F221 AromaticContact CE2-CE2 3.71Å; F216-F221 HydrophobicContact CE2-CE2 3.71Å; F216-F221 AromaticContact CZ-CD2 3.94Å; F216-F221 HydrophobicContact CZ-CD2 3.94Å; F216-F221 HydrophobicContact CZ-CE2 4.36Å; F216-F226 WeakPolarHBondContact O-CE2 3.3Å
217K98.1Very high97.6Very high118 Ų11856.1 Ų56.151%0.51331%0.311SS..  trans-123.9102.9179.3-71.8-172.5-179-173.50109.5E219 L220K217-E219 PolarHBondContact O-N 2.61Å; K217-L220 HydrophobicContact CB-CD1 3.91Å; K217-L220 HydrophobicContact CB-CG 3.92Å; K217-L220 WeakPolarHBondContact O-CB 3.27Å; K217-L220 PolarHBondContact O-N 3.11Å; K217-L220 VanDerWaalsContact O-N 3.12Å
218P98.4Very high96.9Very high0 Ų061.9 Ų61.90%034%0.34CS..G310 helixtrans-54.4-35.8-175.8-27.334.5000114.2F99 F216 L220 F221 L223 P224 F226F99-P218 HydrophobicContact CE1-CB 4.43Å; F99-P218 HydrophobicContact CE1-CG 4.48Å; F216-P218 HydrophobicContact CD1-CG 4.15Å; F216-P218 HydrophobicContact CE1-CB 4.08Å; F216-P218 HydrophobicContact CE1-CG 3.81Å; P218-L220 PolarHBondContact O-N 3.45Å; P218-L220 VanDerWaalsContact O-N 3.13Å; P218-F221 PolarHBondContact O-N 3.15Å; P218-L223 CarbonylContact C-O 3.46Å; P218-L223 HydrophobicContact CB-CB 3.76Å; P218-L223 WeakPolarHBondContact O-CB 3.15Å; P218-L223 PolarHBondContact O-N 3.34Å; P218-L223 VanDerWaalsContact O-N 3.08Å; P218-P224 WeakPolarHBondContact CB-O 3.31Å; P218-F226 VanDerWaalsContact CD-CE2 3.45Å; P218-F226 HydrophobicContact CG-CD2 3.79Å; P218-F226 HydrophobicContact CG-CE2 3.65Å; P218-F226 HydrophobicContact CG-CG 4.42Å; P218-F226 HydrophobicContact CG-CZ 4.16Å
219E97.7Very high96.8Very high88 Ų8863.1 Ų63.141%0.41135%0.346SS..G310 helixtrans-62.9-18.7-179.164.6-83.3-162.500114K217 F221 D222 T225K217-E219 PolarHBondContact O-N 2.61Å; E219-F221 PolarHBondContact O-N 3Å; E219-D222 PolarHBondContact O-N 3.46Å; E219-T225 HydrophobicContact CB-CG2 3.78Å; E219-T225 HydrophobicContact CG-CG2 4.34Å
220L98.2Very high96.7Very high76 Ų7664.2 Ų64.240%0.39835%0.35SS..G310 helixtrans-64.7-19.6172.9-64.7177.3000112.4T2 L208 K217 P218T2-L220 WeakPolarHBondContact CB-O 3.32Å; T2-L220 PolarHBondContact OG1-O 2.84Å; L208-L220 HydrophobicContact CD2-CD1 3.88Å; K217-L220 HydrophobicContact CB-CD1 3.91Å; K217-L220 HydrophobicContact CB-CG 3.92Å; K217-L220 WeakPolarHBondContact O-CB 3.27Å; K217-L220 PolarHBondContact O-N 3.11Å; K217-L220 VanDerWaalsContact O-N 3.12Å; P218-L220 PolarHBondContact O-N 3.45Å; P218-L220 VanDerWaalsContact O-N 3.13Å
221F98.5Very high96.6Very high0 Ų066.4 Ų66.40%036%0.362CS..G310 helixtrans-121.822.2-179.2-62.8-91000111.7T2 P4 A5 L171 Q189 V191 T207 L208 F216 P218 E219 L223T2-F221 HydrophobicContact CG2-CD1 3.98Å; T2-F221 HydrophobicContact CG2-CE1 3.48Å; T2-F221 VanDerWaalsContact CG2-CE1 3.48Å; T2-F221 HydrophobicContact CG2-CE2 4.09Å; T2-F221 HydrophobicContact CG2-CG 4.49Å; T2-F221 HydrophobicContact CG2-CZ 3.55Å; P4-F221 CarbonylContact C-O 3.45Å; P4-F221 WeakPolarHBondContact CA-O 3.41Å; A5-F221 HydrophobicContact CB-CB 4.09Å; A5-F221 PolarHBondContact N-O 3.25Å; L171-F221 HydrophobicContact CD1-CD1 3.64Å; L171-F221 HydrophobicContact CD1-CD2 4.44Å; L171-F221 HydrophobicContact CD1-CE1 3.43Å; L171-F221 VanDerWaalsContact CD1-CE1 3.43Å; L171-F221 HydrophobicContact CD1-CE2 4.28Å; L171-F221 HydrophobicContact CD1-CG 4.15Å; L171-F221 HydrophobicContact CD1-CZ 3.77Å; L171-F221 HydrophobicContact CD2-CB 4.31Å; L171-F221 HydrophobicContact CD2-CD1 4.26Å; L171-F221 HydrophobicContact CD2-CD2 3.96Å; L171-F221 HydrophobicContact CD2-CE2 4.34Å; L171-F221 HydrophobicContact CD2-CG 3.92Å; Q189-F221 HydrophobicContact CB-CE1 4.11Å; Q189-F221 VanDerWaalsContact OE1-CD1 3.28Å; Q189-F221 VanDerWaalsContact OE1-CE1 3.28Å; V191-F221 HydrophobicContact CG2-CE2 3.94Å; V191-F221 HydrophobicContact CG2-CZ 3.96Å; T207-F221 HydrophobicContact CG2-CE1 3.95Å; T207-F221 HydrophobicContact CG2-CZ 4.25Å; L208-F221 HydrophobicContact CB-CE2 4.45Å; L208-F221 HydrophobicContact CB-CZ 4.12Å; L208-F221 HydrophobicContact CD2-CE2 3.96Å; L208-F221 HydrophobicContact CD2-CZ 4.46Å; F216-F221 AromaticContact CE2-CD2 3.75Å; F216-F221 HydrophobicContact CE2-CD2 3.75Å; F216-F221 AromaticContact CE2-CE2 3.71Å; F216-F221 HydrophobicContact CE2-CE2 3.71Å; F216-F221 AromaticContact CZ-CD2 3.94Å; F216-F221 HydrophobicContact CZ-CD2 3.94Å; F216-F221 HydrophobicContact CZ-CE2 4.36Å; P218-F221 PolarHBondContact O-N 3.15Å; E219-F221 PolarHBondContact O-N 3Å; F221-L223 HydrophobicContact CB-CD1 4.26Å; F221-L223 HydrophobicContact CB-CG 4.35Å; F221-L223 PolarHBondContact O-N 3.4Å; F221-L223 VanDerWaalsContact O-N 3.09Å
222D98.1Very high96.5Very high118 Ų11863.4 Ų63.463%0.63135%0.346SS*.THydrogen-bonded Turntrans53.126-174.1-62.9-7.2000114.2P4 E219P4-D222 HydrophobicContact CB-CB 4Å; P4-D222 HydrophobicContact CG-CB 4.5Å; P4-D222 WeakPolarHBondContact CG-OD2 3.44Å; E219-D222 PolarHBondContact O-N 3.46Å
223L98.4Very high96.4Very high9 Ų966.2 Ų66.25%0.04736%0.36CS..PPolyproline II helixtrans-85.6154.4172.4-69.4168.7000110.2A5 V8 F99 V104 L171 P218 F221 T225A5-L223 HydrophobicContact CB-CD1 4.16Å; A5-L223 HydrophobicContact CB-CD2 4.27Å; A5-L223 HydrophobicContact CB-CG 4.16Å; A5-L223 WeakPolarHBondContact O-CD2 3.27Å; V8-L223 HydrophobicContact CG2-CD1 4.33Å; F99-L223 HydrophobicContact CE1-CB 4.26Å; F99-L223 HydrophobicContact CE1-CD1 3.89Å; F99-L223 HydrophobicContact CZ-CD1 3.83Å; V104-L223 HydrophobicContact CG1-CD2 4.09Å; V104-L223 HydrophobicContact CG2-CD2 4.2Å; L171-L223 HydrophobicContact CD2-CD1 3.82Å; P218-L223 CarbonylContact C-O 3.46Å; P218-L223 HydrophobicContact CB-CB 3.76Å; P218-L223 WeakPolarHBondContact O-CB 3.15Å; P218-L223 PolarHBondContact O-N 3.34Å; P218-L223 VanDerWaalsContact O-N 3.08Å; F221-L223 HydrophobicContact CB-CD1 4.26Å; F221-L223 HydrophobicContact CB-CG 4.35Å; F221-L223 PolarHBondContact O-N 3.4Å; F221-L223 VanDerWaalsContact O-N 3.09Å; L223-T225 PolarHBondContact O-N 2.92Å
224P98.1Very high96.2Very high59 Ų5970.4 Ų70.438%0.38338%0.383SS..PPolyproline II helixtrans-54.3130.1179.2-28.938.3000112.3H98 A102 V104 P218H98-P224 PolarHBondContact CE1-O 3.06Å; H98-P224 PolarHBondContact NE2-O 3.5Å; A102-P224 HydrophobicContact CB-CB 3.81Å; A102-P224 HydrophobicContact CB-CG 3.88Å; V104-P224 HydrophobicContact CG2-CG 4.3Å; P218-P224 WeakPolarHBondContact CB-O 3.31Å
225T97.8Very high96.1Very high88 Ų8869.1 Ų69.154%0.5438%0.377SS..PPolyproline II helixtrans-67.2150.3-179.353.30000111.7H98 E219 L223H98-T225 VanDerWaalsContact CE1-C 3.5Å; H98-T225 PolarHBondContact CE1-O 2.95Å; E219-T225 HydrophobicContact CB-CG2 3.78Å; E219-T225 HydrophobicContact CG-CG2 4.34Å; L223-T225 PolarHBondContact O-N 2.92Å
226F96.5Very high95.9Very high32 Ų3265.8 Ų65.814%0.1437%0.366CS..PPolyproline II helixtrans-55.7146.7166.9-70.1-67.6000111R94 L95 H98 F216 P218 D228R94-F226 HydrophobicContact CG-CD1 4.44Å; R94-F226 HydrophobicContact CG-CE1 3.98Å; R94-F226 VanDerWaalsContact NH1-CE2 3.33Å; R94-F226 VanDerWaalsContact NH2-CB 3.31Å; L95-F226 HydrophobicContact CD1-CZ 3.88Å; H98-F226 HydrophobicContact CB-CD1 3.87Å; H98-F226 HydrophobicContact CB-CE1 3.58Å; H98-F226 AromaticContact CD2-CD1 3.7Å; H98-F226 AromaticContact CD2-CE1 3.61Å; H98-F226 AromaticContact CG-CD1 3.45Å; H98-F226 VanDerWaalsContact CG-CD1 3.45Å; H98-F226 AromaticContact CG-CE1 3.51Å; H98-F226 AromaticContact ND1-CD1 3.76Å; F216-F226 WeakPolarHBondContact O-CE2 3.3Å; P218-F226 VanDerWaalsContact CD-CE2 3.45Å; P218-F226 HydrophobicContact CG-CD2 3.79Å; P218-F226 HydrophobicContact CG-CE2 3.65Å; P218-F226 HydrophobicContact CG-CG 4.42Å; P218-F226 HydrophobicContact CG-CZ 4.16Å; F226-D228 WeakPolarHBondContact CB-OD1 3.4Å
227A85.2Confident95.7Very high94 Ų9470.9 Ų70.978%0.77740%0.395SS*.  trans-94.9-7.7-17500000113.9
228D83.6Confident95.5Very high169 Ų16966.6 Ų66.690%0.90439%0.385SS*.  trans-100.30-179.156.9-33000112.8R94 F226R94-D228 IonicContact CZ-OD1 2.81Å; R94-D228 IonicContact CZ-OD2 3.15Å; R94-D228 IonicContact NE-OD1 3.51Å; R94-D228 IonicContact NE-OD2 3.62Å; R94-D228 PolarHBondContact NE-OD2 3.39Å; R94-D228 VanDerWaalsContact NH2-CG 3.34Å; R94-D228 IonicContact NH2-OD1 2.74Å; R94-D228 PolarHBondContact NH2-OD1 2.89Å; R94-D228 IonicContact NH2-OD2 3.63Å; R94-D228 PolarHBondContact NH2-OD2 2.96Å; F226-D228 WeakPolarHBondContact CB-OD1 3.4Å

Retrieved 228 of 228 residues in 281.1 ms (Link to these results)

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