A0A077ZGM7_TRITR Loading...

TRAM LAG1 CLN8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M47.9Very low64.5Low164 Ų16460.4 Ų60.481%0.80833%0.325SS*.  0-71.40-162.6-176.6-66.700111.6G3 H4 F5M1-G3 PolarHBondContact O-N 2.69Å; M1-H4 PolarHBondContact O-N 3.04Å; M1-F5 PolarHBondContact O-N 3.25Å
2V55.1Low65.1Low103 Ų10365.5 Ų65.562%0.62434%0.337SS*.Hα-helixtrans-50.7-57.2173.5169.40000110.4H4 F5 F6V2-H4 PolarHBondContact O-N 3.01Å; V2-F5 PolarHBondContact O-N 2.7Å; V2-F6 VanDerWaalsContact C-CD2 3.5Å; V2-F6 HydrophobicContact CB-CD2 4.48Å; V2-F6 HydrophobicContact CB-CE2 4.24Å; V2-F6 HydrophobicContact CG1-CD2 3.66Å; V2-F6 HydrophobicContact CG1-CE2 3.28Å; V2-F6 HydrophobicContact CG1-CZ 4.44Å; V2-F6 WeakPolarHBondContact O-CD2 3.42Å; V2-F6 PolarHBondContact O-N 3.15Å; V2-F6 VanDerWaalsContact O-N 3.14Å
3G63.7Low65.4Low27 Ų2762.2 Ų62.228%0.27832%0.319SS..Hα-helixtrans-56.1-37.6-177.400000116.3M1 F6 E7M1-G3 PolarHBondContact O-N 2.69Å; G3-F6 PolarHBondContact O-N 3.25Å; G3-E7 WeakPolarHBondContact O-CG 3.26Å; G3-E7 PolarHBondContact O-N 3.18Å
4H66.1Low65.2Low98 Ų9858.5 Ų58.545%0.45430%0.299SS..Hα-helixtrans-72.5-36.2-179.1-171.3-101.4000112.3M1 V2 E7 S8 T217M1-H4 PolarHBondContact O-N 3.04Å; V2-H4 PolarHBondContact O-N 3.01Å; H4-E7 PolarHBondContact O-N 3.02Å; H4-S8 WeakPolarHBondContact O-CB 3.34Å; H4-S8 PolarHBondContact O-N 3.3Å; H4-T217 HydrophobicContact CB-CG2 4.32Å; H4-T217 WeakPolarHBondContact ND1-CG2 3.47Å
5F69.8Low65.1Low16 Ų1658.9 Ų58.97%0.0730%0.302CS..Hα-helixtrans-58.9-51.8168.8160.9-114.7000110.8M1 V2 E7 S8 F9 F152 I213 A214 T217M1-F5 PolarHBondContact O-N 3.25Å; V2-F5 PolarHBondContact O-N 2.7Å; F5-E7 VanDerWaalsContact C-N 3.27Å; F5-E7 PolarHBondContact O-N 3.3Å; F5-S8 PolarHBondContact O-N 2.88Å; F5-F9 HydrophobicContact CD2-CB 4.13Å; F5-F9 HydrophobicContact CE2-CB 3.71Å; F5-F9 HydrophobicContact CE2-CD2 4.19Å; F5-F9 HydrophobicContact CE2-CG 4.16Å; F5-F9 HydrophobicContact CZ-CB 4.23Å; F5-F9 HydrophobicContact CZ-CG 4.39Å; F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 PolarHBondContact O-N 3.31Å; F5-F152 HydrophobicContact CZ-CE1 4.47Å; F5-I213 HydrophobicContact CD2-CG2 4.36Å; F5-I213 HydrophobicContact CE2-CB 4.49Å; F5-I213 HydrophobicContact CE2-CG2 4.12Å; F5-A214 HydrophobicContact CD1-CB 4.46Å; F5-A214 HydrophobicContact CD2-CB 3.86Å; F5-A214 HydrophobicContact CE1-CB 4.11Å; F5-A214 HydrophobicContact CE2-CB 3.43Å; F5-A214 VanDerWaalsContact CE2-CB 3.43Å; F5-A214 VanDerWaalsContact CE2-N 3.34Å; F5-A214 HydrophobicContact CG-CB 4.32Å; F5-A214 HydrophobicContact CZ-CB 3.56Å; F5-T217 HydrophobicContact CB-CG2 4Å; F5-T217 VanDerWaalsContact N-CG2 3.34Å
6F68.3Low64.9Low13 Ų1360.1 Ų60.16%0.05731%0.306CS..Hα-helixtrans-57.6-43.9179.6-72.6-71.7000110.7V2 G3 R10 N149 F152 S153V2-F6 VanDerWaalsContact C-CD2 3.5Å; V2-F6 HydrophobicContact CB-CD2 4.48Å; V2-F6 HydrophobicContact CB-CE2 4.24Å; V2-F6 HydrophobicContact CG1-CD2 3.66Å; V2-F6 HydrophobicContact CG1-CE2 3.28Å; V2-F6 HydrophobicContact CG1-CZ 4.44Å; V2-F6 WeakPolarHBondContact O-CD2 3.42Å; V2-F6 PolarHBondContact O-N 3.15Å; V2-F6 VanDerWaalsContact O-N 3.14Å; G3-F6 PolarHBondContact O-N 3.25Å; F6-R10 WeakPolarHBondContact O-CA 3.15Å; F6-R10 WeakPolarHBondContact O-CB 3.48Å; F6-R10 PolarHBondContact O-N 3.32Å; F6-N149 HydrophobicContact CB-CB 4.12Å; F6-N149 VanDerWaalsContact CB-OD1 3.3Å; F6-N149 WeakPolarHBondContact CB-OD1 3.39Å; F6-N149 HydrophobicContact CG-CB 4.23Å; F6-F152 HydrophobicContact CD1-CB 4.01Å; F6-F152 AromaticContact CD1-CD1 3.35Å; F6-F152 HydrophobicContact CD1-CD1 3.35Å; F6-F152 HydrophobicContact CD1-CE1 4.24Å; F6-F152 HydrophobicContact CD1-CG 4.07Å; F6-F152 HydrophobicContact CE1-CB 4.43Å; F6-F152 AromaticContact CE1-CD1 3.53Å; F6-F152 HydrophobicContact CE1-CD1 3.53Å; F6-F152 HydrophobicContact CE1-CE1 4.29Å; F6-F152 HydrophobicContact CE1-CG 4.45Å; F6-S153 VanDerWaalsContact CE1-CA 3.43Å; F6-S153 VanDerWaalsContact CZ-CB 3.47Å
7E68.8Low64.7Low70 Ų7063.4 Ų63.433%0.32732%0.324SS..Hα-helixtrans-65.2-45.7177.3-75.4173.8-176.700113.7G3 H4 F5 R10 N11G3-E7 WeakPolarHBondContact O-CG 3.26Å; G3-E7 PolarHBondContact O-N 3.18Å; H4-E7 PolarHBondContact O-N 3.02Å; F5-E7 VanDerWaalsContact C-N 3.27Å; F5-E7 PolarHBondContact O-N 3.3Å; E7-R10 PolarHBondContact O-N 3Å; E7-N11 VanDerWaalsContact O-CB 3.31Å; E7-N11 WeakPolarHBondContact O-CB 3.43Å; E7-N11 PolarHBondContact O-N 3.34Å; E7-N11 PolarHBondContact O-ND2 3.25Å
8S68.9Low64.4Low53 Ų5362.5 Ų62.537%0.37133%0.328SS..Hα-helixtrans-69.2-44.5-177.5-159.10000111.8H4 F5 N11 W12H4-S8 WeakPolarHBondContact O-CB 3.34Å; H4-S8 PolarHBondContact O-N 3.3Å; F5-S8 PolarHBondContact O-N 2.88Å; S8-N11 PolarHBondContact O-N 3.12Å; S8-W12 WeakPolarHBondContact O-CB 3.35Å; S8-W12 PolarHBondContact O-N 3.13Å
9F67.7Low64Low3 Ų362.4 Ų62.41%0.01332%0.323CS..Hα-helixtrans-65.2-44.7173.1-175.6-79.4000110.5F5 N11 W12 F13 F152 I210 I213F5-F9 HydrophobicContact CD2-CB 4.13Å; F5-F9 HydrophobicContact CE2-CB 3.71Å; F5-F9 HydrophobicContact CE2-CD2 4.19Å; F5-F9 HydrophobicContact CE2-CG 4.16Å; F5-F9 HydrophobicContact CZ-CB 4.23Å; F5-F9 HydrophobicContact CZ-CG 4.39Å; F5-F9 WeakPolarHBondContact O-CB 3.4Å; F5-F9 PolarHBondContact O-N 3.31Å; F9-N11 VanDerWaalsContact C-N 3.31Å; F9-N11 PolarHBondContact O-N 3.3Å; F9-W12 HydrophobicContact CD2-CE3 4.19Å; F9-W12 HydrophobicContact CD2-CZ3 4.36Å; F9-W12 AromaticContact CE2-CE3 3.94Å; F9-W12 HydrophobicContact CE2-CE3 3.94Å; F9-W12 AromaticContact CE2-CZ3 3.68Å; F9-W12 HydrophobicContact CE2-CZ3 3.68Å; F9-W12 HydrophobicContact CZ-CE3 4.29Å; F9-W12 AromaticContact CZ-CZ3 3.95Å; F9-W12 HydrophobicContact CZ-CZ3 3.95Å; F9-W12 PolarHBondContact O-N 3.43Å; F9-F13 HydrophobicContact CD1-CB 3.97Å; F9-F13 HydrophobicContact CE1-CB 3.44Å; F9-F13 VanDerWaalsContact CE1-CB 3.44Å; F9-F13 HydrophobicContact CE1-CD1 4.36Å; F9-F13 AromaticContact CE1-CD2 3.99Å; F9-F13 HydrophobicContact CE1-CD2 3.99Å; F9-F13 AromaticContact CE1-CG 3.68Å; F9-F13 HydrophobicContact CE1-CG 3.68Å; F9-F13 HydrophobicContact CZ-CB 3.94Å; F9-F13 AromaticContact CZ-CD2 3.82Å; F9-F13 HydrophobicContact CZ-CD2 3.82Å; F9-F13 AromaticContact CZ-CG 4Å; F9-F13 HydrophobicContact CZ-CG 4Å; F9-F13 VanDerWaalsContact O-CB 3.27Å; F9-F13 WeakPolarHBondContact O-CB 3.21Å; F9-F13 PolarHBondContact O-N 3.27Å; F9-F152 HydrophobicContact CD1-CD2 4.48Å; F9-F152 AromaticContact CD1-CE1 3.56Å; F9-F152 HydrophobicContact CD1-CE1 3.56Å; F9-F152 AromaticContact CD1-CE2 3.53Å; F9-F152 HydrophobicContact CD1-CE2 3.53Å; F9-F152 AromaticContact CD1-CZ 3.01Å; F9-F152 HydrophobicContact CD1-CZ 3.01Å; F9-F152 AromaticContact CE1-CE1 3.93Å; F9-F152 HydrophobicContact CE1-CE1 3.93Å; F9-F152 AromaticContact CE1-CE2 3.35Å; F9-F152 HydrophobicContact CE1-CE2 3.35Å; F9-F152 AromaticContact CE1-CZ 2.95Å; F9-F152 HydrophobicContact CE1-CZ 2.95Å; F9-F152 HydrophobicContact CG-CE1 4.22Å; F9-F152 HydrophobicContact CG-CZ 4.01Å; F9-F152 HydrophobicContact CZ-CE2 4.47Å; F9-F152 AromaticContact CZ-CZ 3.85Å; F9-F152 HydrophobicContact CZ-CZ 3.85Å; F9-I210 HydrophobicContact CD2-CG2 4.25Å; F9-I210 HydrophobicContact CE2-CB 4.07Å; F9-I210 HydrophobicContact CE2-CG1 3.8Å; F9-I210 HydrophobicContact CE2-CG2 3.72Å; F9-I210 HydrophobicContact CZ-CG1 3.95Å; F9-I210 HydrophobicContact CZ-CG2 4.12Å; F9-I213 HydrophobicContact CB-CG2 4.03Å; F9-I213 HydrophobicContact CD2-CB 4.01Å; F9-I213 HydrophobicContact CD2-CD1 3.77Å; F9-I213 HydrophobicContact CD2-CG2 3.78Å; F9-I213 HydrophobicContact CE2-CD1 3.84Å; F9-I213 HydrophobicContact CG-CG2 4.41Å
10R67.2Low63.7Low31 Ų3161.1 Ų61.112%0.11732%0.316CS..Hα-helixtrans-57-45.4176.7177.8-171.464.266.30.4110.7F6 E7 W14 C148F6-R10 WeakPolarHBondContact O-CA 3.15Å; F6-R10 WeakPolarHBondContact O-CB 3.48Å; F6-R10 PolarHBondContact O-N 3.32Å; E7-R10 PolarHBondContact O-N 3Å; R10-W14 HydrophobicContact CG-CG 4.48Å; R10-W14 WeakPolarHBondContact O-CA 3.42Å; R10-W14 WeakPolarHBondContact O-CB 3.36Å; R10-W14 PolarHBondContact O-N 3.24Å; R10-C148 WeakPolarHBondContact CD-SG 3.33Å
11N65.8Low63.3Low86 Ų8659.7 Ų59.746%0.4631%0.311SS..Hα-helixtrans-68.2-39.9-179.4-71.3-22.2000112.3E7 S8 F9 N15E7-N11 VanDerWaalsContact O-CB 3.31Å; E7-N11 WeakPolarHBondContact O-CB 3.43Å; E7-N11 PolarHBondContact O-N 3.34Å; E7-N11 PolarHBondContact O-ND2 3.25Å; S8-N11 PolarHBondContact O-N 3.12Å; F9-N11 VanDerWaalsContact C-N 3.31Å; F9-N11 PolarHBondContact O-N 3.3Å; N11-N15 WeakPolarHBondContact O-CB 3.38Å; N11-N15 PolarHBondContact O-N 3.02Å; N11-N15 VanDerWaalsContact O-N 3.17Å
12W72.5Confident63.8Low122 Ų12256 Ų5646%0.46230%0.299SS..Hα-helixtrans-67.6-52.6176.8170.274.3000111.9S8 F9 N15 I213S8-W12 WeakPolarHBondContact O-CB 3.35Å; S8-W12 PolarHBondContact O-N 3.13Å; F9-W12 HydrophobicContact CD2-CE3 4.19Å; F9-W12 HydrophobicContact CD2-CZ3 4.36Å; F9-W12 AromaticContact CE2-CE3 3.94Å; F9-W12 HydrophobicContact CE2-CE3 3.94Å; F9-W12 AromaticContact CE2-CZ3 3.68Å; F9-W12 HydrophobicContact CE2-CZ3 3.68Å; F9-W12 HydrophobicContact CZ-CE3 4.29Å; F9-W12 AromaticContact CZ-CZ3 3.95Å; F9-W12 HydrophobicContact CZ-CZ3 3.95Å; F9-W12 PolarHBondContact O-N 3.43Å; W12-N15 PolarHBondContact O-N 3.15Å; W12-I213 HydrophobicContact CD2-CD1 4.21Å; W12-I213 HydrophobicContact CE3-CD1 3.67Å; W12-I213 HydrophobicContact CH2-CD1 4.09Å; W12-I213 HydrophobicContact CZ3-CD1 3.61Å
13F68.1Low64.4Low23 Ų2355.2 Ų55.210%0.10131%0.312CS..Hα-helixtrans-70.6-35.4-177-169.5-92.7000111.8F9 W19 E133F9-F13 HydrophobicContact CD1-CB 3.97Å; F9-F13 HydrophobicContact CE1-CB 3.44Å; F9-F13 VanDerWaalsContact CE1-CB 3.44Å; F9-F13 HydrophobicContact CE1-CD1 4.36Å; F9-F13 AromaticContact CE1-CD2 3.99Å; F9-F13 HydrophobicContact CE1-CD2 3.99Å; F9-F13 AromaticContact CE1-CG 3.68Å; F9-F13 HydrophobicContact CE1-CG 3.68Å; F9-F13 HydrophobicContact CZ-CB 3.94Å; F9-F13 AromaticContact CZ-CD2 3.82Å; F9-F13 HydrophobicContact CZ-CD2 3.82Å; F9-F13 AromaticContact CZ-CG 4Å; F9-F13 HydrophobicContact CZ-CG 4Å; F9-F13 VanDerWaalsContact O-CB 3.27Å; F9-F13 WeakPolarHBondContact O-CB 3.21Å; F9-F13 PolarHBondContact O-N 3.27Å; F13-W19 HydrophobicContact CE1-CZ2 4.16Å; F13-W19 AromaticContact CE2-CZ2 3.99Å; F13-W19 HydrophobicContact CE2-CZ2 3.99Å; F13-W19 HydrophobicContact CZ-CH2 4.42Å; F13-W19 AromaticContact CZ-CZ2 3.79Å; F13-W19 HydrophobicContact CZ-CZ2 3.79Å; F13-W19 PolarHBondContact O-NE1 3.19Å; F13-E133 HydrophobicContact CE1-CG 4.33Å; F13-E133 WeakPolarHBondContact CZ-OE1 3.32Å
14W62.6Low64.4Low10 Ų1057.4 Ų57.44%0.03832%0.32CS..THydrogen-bonded Turntrans-96.922178.1-59.3103.1000113.7R10 E16 E133 S136 K137 R140R10-W14 HydrophobicContact CG-CG 4.48Å; R10-W14 WeakPolarHBondContact O-CA 3.42Å; R10-W14 WeakPolarHBondContact O-CB 3.36Å; R10-W14 PolarHBondContact O-N 3.24Å; W14-E16 PolarHBondContact O-N 2.98Å; W14-E133 HydrophobicContact CH2-CB 3.48Å; W14-E133 VanDerWaalsContact CH2-CB 3.48Å; W14-E133 HydrophobicContact CH2-CG 3.64Å; W14-E133 WeakPolarHBondContact CH2-O 3.46Å; W14-E133 HydrophobicContact CZ2-CB 4.35Å; W14-E133 HydrophobicContact CZ2-CG 4.32Å; W14-E133 HydrophobicContact CZ3-CB 4.27Å; W14-E133 WeakPolarHBondContact CZ3-O 3.35Å; W14-S136 VanDerWaalsContact CE2-CB 3.43Å; W14-S136 WeakPolarHBondContact CH2-OG 3.44Å; W14-S136 WeakPolarHBondContact CZ2-OG 3.36Å; W14-K137 HydrophobicContact CE3-CD 4.18Å; W14-K137 HydrophobicContact CE3-CG 3.5Å; W14-K137 HydrophobicContact CZ3-CD 3.8Å; W14-K137 HydrophobicContact CZ3-CG 3.52Å; W14-R140 PolarHBondContact O-NH1 3.43Å
15N64.2Low64.3Low65 Ų6560.3 Ų60.335%0.34833%0.333SS..  trans-68.6131.4171.8-165.18000109.4N11 W12 D17 A18N11-N15 WeakPolarHBondContact O-CB 3.38Å; N11-N15 PolarHBondContact O-N 3.02Å; N11-N15 VanDerWaalsContact O-N 3.17Å; W12-N15 PolarHBondContact O-N 3.15Å; N15-D17 PolarHBondContact ND2-OD2 2.82Å; N15-D17 PolarHBondContact O-N 3.2Å; N15-D17 PolarHBondContact OD1-OD2 2.67Å; N15-A18 HydrophobicContact CB-CB 4.38Å; N15-A18 WeakPolarHBondContact O-CB 3.33Å; N15-A18 PolarHBondContact O-N 3.4Å; N15-A18 VanDerWaalsContact O-N 3.14Å
16E61.7Low63.7Low78 Ų7861.6 Ų61.636%0.36434%0.344SS..Hα-helixtrans-61.5-37.9178.5-75.4171.1-145.700110.5W14 A18 W19 L20 R140W14-E16 PolarHBondContact O-N 2.98Å; E16-A18 PolarHBondContact O-N 3.09Å; E16-A18 VanDerWaalsContact O-N 3.15Å; E16-W19 PolarHBondContact O-N 3.31Å; E16-W19 VanDerWaalsContact O-N 3.1Å; E16-L20 HydrophobicContact CB-CD1 3.98Å; E16-L20 HydrophobicContact CG-CD1 4.16Å; E16-L20 WeakPolarHBondContact O-CB 3.49Å; E16-L20 WeakPolarHBondContact O-CD1 3.4Å; E16-L20 PolarHBondContact O-N 3.29Å; E16-R140 IonicContact OE1-NH1 3.06Å
17D62.1Low63.1Low116 Ų11667.2 Ų67.262%0.6237%0.374SS*.Hα-helixtrans-62.9-21.6177.6-50.1-40.9000113.9N15 N98N15-D17 PolarHBondContact ND2-OD2 2.82Å; N15-D17 PolarHBondContact O-N 3.2Å; N15-D17 PolarHBondContact OD1-OD2 2.67Å; D17-N98 PolarHBondContact O-ND2 2.86Å; D17-N98 VanDerWaalsContact O-ND2 3.12Å
18A59.3Low62.6Low47 Ų4771.1 Ų71.139%0.38839%0.39SS..Hα-helixtrans-77.9-28.4178.300000112.1N15 E16N15-A18 HydrophobicContact CB-CB 4.38Å; N15-A18 WeakPolarHBondContact O-CB 3.33Å; N15-A18 PolarHBondContact O-N 3.4Å; N15-A18 VanDerWaalsContact O-N 3.14Å; E16-A18 PolarHBondContact O-N 3.09Å; E16-A18 VanDerWaalsContact O-N 3.15Å
19W56.6Low61.8Low60 Ų6079.8 Ų79.823%0.22742%0.417CS..Hα-helixtrans-118.4-30.8-170.6-61.3104.6000114.6F13 E16F13-W19 HydrophobicContact CE1-CZ2 4.16Å; F13-W19 AromaticContact CE2-CZ2 3.99Å; F13-W19 HydrophobicContact CE2-CZ2 3.99Å; F13-W19 HydrophobicContact CZ-CH2 4.42Å; F13-W19 AromaticContact CZ-CZ2 3.79Å; F13-W19 HydrophobicContact CZ-CZ2 3.79Å; F13-W19 PolarHBondContact O-NE1 3.19Å; E16-W19 PolarHBondContact O-N 3.31Å; E16-W19 VanDerWaalsContact O-N 3.1Å
20L57.7Low61.1Low36 Ų3682.9 Ų82.919%0.18845%0.449CS..SBendtrans-84.7139.5179-80.487.3000110.2E16 V24E16-L20 HydrophobicContact CB-CD1 3.98Å; E16-L20 HydrophobicContact CG-CD1 4.16Å; E16-L20 WeakPolarHBondContact O-CB 3.49Å; E16-L20 WeakPolarHBondContact O-CD1 3.4Å; E16-L20 PolarHBondContact O-N 3.29Å; L20-V24 HydrophobicContact CD2-CB 4.3Å; L20-V24 HydrophobicContact CD2-CG1 4.26Å; L20-V24 WeakPolarHBondContact CD2-O 3.19Å
21P54.7Low60.4Low32 Ų3285.8 Ų85.821%0.20846%0.461CS..PPolyproline II helixtrans-58.1144.8164.7-1325.8000109.8G23 V24 I92P21-G23 PolarHBondContact O-N 3.24Å; P21-V24 HydrophobicContact CB-CG2 4.08Å; P21-V24 HydrophobicContact CG-CG2 4.1Å; P21-V24 PolarHBondContact O-N 3.2Å; P21-I92 HydrophobicContact CB-CG2 3.77Å
22P59.6Low59.8Low87 Ų8784.2 Ų84.257%0.56546%0.456SS*.THydrogen-bonded Turntrans-57.6128.3177.222.9-32.6000110.7I92P22-I92 HydrophobicContact CG-CG2 4.27Å
23G66.1Low59Low87 Ų8781.1 Ų81.190%0.89746%0.456SS*.THydrogen-bonded Turntrans93.45.3176.200000116.5P21P21-G23 PolarHBondContact O-N 3.24Å
24V64.9Low58.4Low73 Ų7386.4 Ų86.444%0.44248%0.479SS..  trans-93.5126.5174.1-179.10000110.3L20 P21L20-V24 HydrophobicContact CD2-CB 4.3Å; L20-V24 HydrophobicContact CD2-CG1 4.26Å; L20-V24 WeakPolarHBondContact CD2-O 3.19Å; P21-V24 HydrophobicContact CB-CG2 4.08Å; P21-V24 HydrophobicContact CG-CG2 4.1Å; P21-V24 PolarHBondContact O-N 3.2Å
25E62.9Low58.2Low158 Ų15887.7 Ų87.774%0.73850%0.496SS*.  trans-73.9139.8176.3-66.2-178-17700111.8N27E25-N27 PolarHBondContact O-N 3.35Å
26P57.8Low58.2Low44 Ų4488 Ų8829%0.28650%0.497SS..THydrogen-bonded Turntrans-69.4-2.7-175.626-34.3000115.2Y31P26-Y31 WeakPolarHBondContact O-CE2 3.44Å; P26-Y31 PolarHBondContact O-OH 3.46Å
27N56.4Low58.4Low131 Ų13185.4 Ų85.470%0.70149%0.486SS*.THydrogen-bonded Turntrans-10834.1-178.8-79.5-24.4000113.4E25E25-N27 PolarHBondContact O-N 3.35Å
28F58.6Low58.7Low151 Ų15184.4 Ų84.466%0.66248%0.479SS*.  trans-68.9134.1175.7-168-102.2000111.8G30 Y31F28-G30 VanDerWaalsContact C-N 3.35Å; F28-G30 PolarHBondContact O-N 3.45Å; F28-Y31 WeakPolarHBondContact O-CD2 3.35Å
29Y51.4Low59Low235 Ų23585.9 Ų85.992%0.92248%0.483SS*.THydrogen-bonded Turntrans-64.390.1174-104.3-94.9000109.9
30G53.7Low59.4Low68 Ų6883.6 Ų83.670%0.70148%0.477SS*.THydrogen-bonded Turntrans161.87.5-176.200000114.9F28F28-G30 VanDerWaalsContact C-N 3.35Å; F28-G30 PolarHBondContact O-N 3.45Å
31Y51.3Low59.9Low92 Ų9285.9 Ų85.936%0.36149%0.489SS..PPolyproline II helixtrans-68.4149.9176.9-96.9-104000112.4P26 F28 A33P26-Y31 WeakPolarHBondContact O-CE2 3.44Å; P26-Y31 PolarHBondContact O-OH 3.46Å; F28-Y31 WeakPolarHBondContact O-CD2 3.35Å; Y31-A33 PolarHBondContact O-N 3Å
32P53Low60.7Low54 Ų5491.6 Ų91.635%0.35151%0.508SS..PPolyproline II helixtrans-59.1124.5178.922.4-32.2000110.8D36 K134P32-D36 WeakPolarHBondContact CA-OD2 3.48Å; P32-K134 HydrophobicContact CB-CD 3.91Å; P32-K134 HydrophobicContact CB-CG 4Å; P32-K134 HydrophobicContact CG-CG 4.12Å
33A55.9Low61.1Low57 Ų5792.2 Ų92.247%0.47150%0.502SS..PPolyproline II helixtrans-88.7159.9179.600000110.4Y31 G35 D36Y31-A33 PolarHBondContact O-N 3Å; A33-G35 PolarHBondContact O-N 3.44Å; A33-D36 PolarHBondContact N-OD2 2.97Å; A33-D36 WeakPolarHBondContact O-CB 3.14Å; A33-D36 PolarHBondContact O-N 3.04Å
34F55Low61.1Low134 Ų13488.1 Ų88.159%0.58846%0.459SS*.Hα-helixtrans-55.3-28.1174.7-170.7-100.7000112.7D36 I37 I38F34-D36 VanDerWaalsContact C-N 3.27Å; F34-D36 PolarHBondContact O-N 3.14Å; F34-I37 PolarHBondContact O-N 3.36Å; F34-I38 HydrophobicContact CD1-CD1 3.92Å; F34-I38 HydrophobicContact CD1-CG1 4.38Å; F34-I38 HydrophobicContact CE1-CD1 3.86Å; F34-I38 HydrophobicContact CE1-CG1 4.2Å; F34-I38 PolarHBondContact O-N 3.41Å
35G60.3Low61.5Low37 Ų3788.5 Ų88.538%0.38146%0.462SS..Hα-helixtrans-60.3-33.1173.300000113.8A33 I37 I38 V39A33-G35 PolarHBondContact O-N 3.44Å; G35-I37 VanDerWaalsContact C-N 3.3Å; G35-I37 PolarHBondContact O-N 3.33Å; G35-I38 PolarHBondContact O-N 2.95Å; G35-V39 WeakPolarHBondContact O-CG2 3.43Å; G35-V39 PolarHBondContact O-N 3.21Å; G35-V39 VanDerWaalsContact O-N 3.07Å
36D63.5Low62.2Low72 Ų7283.3 Ų83.339%0.38544%0.44SS..Hα-helixtrans-67.6-34.1-179.1-58.6-23.6000111.4P32 A33 F34 A40P32-D36 WeakPolarHBondContact CA-OD2 3.48Å; A33-D36 PolarHBondContact N-OD2 2.97Å; A33-D36 WeakPolarHBondContact O-CB 3.14Å; A33-D36 PolarHBondContact O-N 3.04Å; F34-D36 VanDerWaalsContact C-N 3.27Å; F34-D36 PolarHBondContact O-N 3.14Å; D36-A40 WeakPolarHBondContact O-CB 3.45Å; D36-A40 PolarHBondContact O-N 2.68Å
37I66.6Low62.7Low23 Ų2383.6 Ų83.612%0.11844%0.438CS..Hα-helixtrans-68-41.5175.5-60.3173.5000110.1F34 G35 V39 A40 L41 K134 A135F34-I37 PolarHBondContact O-N 3.36Å; G35-I37 VanDerWaalsContact C-N 3.3Å; G35-I37 PolarHBondContact O-N 3.33Å; I37-V39 VanDerWaalsContact C-N 3.33Å; I37-V39 PolarHBondContact O-N 3.42Å; I37-A40 PolarHBondContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 3.99Å; I37-L41 HydrophobicContact CG2-CG 4.24Å; I37-L41 WeakPolarHBondContact O-CB 3.07Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.08Å; I37-L41 PolarHBondContact O-N 3.05Å; I37-K134 HydrophobicContact CD1-CB 4.22Å; I37-K134 HydrophobicContact CG1-CB 4.14Å; I37-A135 HydrophobicContact CD1-CB 4.49Å
38I67Low63.4Low95 Ų9579.9 Ų79.949%0.48742%0.417SS..Hα-helixtrans-62.8-43.6178.4-63.4171.1000110.4F34 G35 L41 Y42F34-I38 HydrophobicContact CD1-CD1 3.92Å; F34-I38 HydrophobicContact CD1-CG1 4.38Å; F34-I38 HydrophobicContact CE1-CD1 3.86Å; F34-I38 HydrophobicContact CE1-CG1 4.2Å; F34-I38 PolarHBondContact O-N 3.41Å; G35-I38 PolarHBondContact O-N 2.95Å; I38-L41 PolarHBondContact O-N 3.16Å; I38-Y42 WeakPolarHBondContact O-CB 3.4Å; I38-Y42 PolarHBondContact O-N 3.44Å
39V66.5Low64.4Low78 Ų7879 Ų7947%0.47342%0.419SS..Hα-helixtrans-63.1-45.3178.3173.40000110.7G35 I37 Y42 F43G35-V39 WeakPolarHBondContact O-CG2 3.43Å; G35-V39 PolarHBondContact O-N 3.21Å; G35-V39 VanDerWaalsContact O-N 3.07Å; I37-V39 VanDerWaalsContact C-N 3.33Å; I37-V39 PolarHBondContact O-N 3.42Å; V39-Y42 WeakPolarHBondContact O-CB 3.33Å; V39-Y42 PolarHBondContact O-N 2.92Å; V39-F43 HydrophobicContact CG1-CD2 3.69Å; V39-F43 HydrophobicContact CG1-CE2 3.4Å; V39-F43 VanDerWaalsContact CG1-CE2 3.4Å; V39-F43 WeakPolarHBondContact O-CD2 2.92Å; V39-F43 PolarHBondContact O-N 2.89Å
40A65.1Low65.6Low12 Ų1271.6 Ų71.610%0.09939%0.391CS..Hα-helixtrans-65.6-41.3178.200000113D36 I37 Y42 F43 S44 L126 D131D36-A40 WeakPolarHBondContact O-CB 3.45Å; D36-A40 PolarHBondContact O-N 2.68Å; I37-A40 PolarHBondContact O-N 3.13Å; A40-Y42 VanDerWaalsContact C-N 3.35Å; A40-Y42 PolarHBondContact O-N 3.34Å; A40-F43 PolarHBondContact O-N 3.12Å; A40-S44 WeakPolarHBondContact O-CB 3.5Å; A40-S44 PolarHBondContact O-N 3.49Å; A40-S44 PolarHBondContact O-OG 3Å; A40-L126 HydrophobicContact CB-CD2 3.99Å; A40-D131 WeakPolarHBondContact CB-OD1 3.4Å
41L67.7Low66.6Low83 Ų8371.2 Ų71.244%0.43538%0.376SS..Hα-helixtrans-61.6-42.2172.9-73.9176.3000111.7I37 I38 S44 V45 L127I37-L41 HydrophobicContact CG2-CD1 3.99Å; I37-L41 HydrophobicContact CG2-CG 4.24Å; I37-L41 WeakPolarHBondContact O-CB 3.07Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.08Å; I37-L41 PolarHBondContact O-N 3.05Å; I38-L41 PolarHBondContact O-N 3.16Å; L41-S44 PolarHBondContact O-N 3.01Å; L41-V45 WeakPolarHBondContact O-CG2 3.38Å; L41-V45 PolarHBondContact O-N 3.5Å; L41-L127 HydrophobicContact CD2-CD2 4.29Å
42Y71.9Confident67.4Low152 Ų15271 Ų7160%0.59638%0.375SS*.Hα-helixtrans-60-49.4176.6173.9-98.4000111.5I38 V39 A40 S44 V45 V46I38-Y42 WeakPolarHBondContact O-CB 3.4Å; I38-Y42 PolarHBondContact O-N 3.44Å; V39-Y42 WeakPolarHBondContact O-CB 3.33Å; V39-Y42 PolarHBondContact O-N 2.92Å; A40-Y42 VanDerWaalsContact C-N 3.35Å; A40-Y42 PolarHBondContact O-N 3.34Å; Y42-S44 VanDerWaalsContact C-N 3.34Å; Y42-S44 PolarHBondContact O-N 3.4Å; Y42-V45 PolarHBondContact O-N 2.97Å; Y42-V46 HydrophobicContact CD1-CG2 4.38Å; Y42-V46 HydrophobicContact CD2-CG2 4.45Å; Y42-V46 HydrophobicContact CE1-CG2 3.97Å; Y42-V46 HydrophobicContact CE2-CG2 4.04Å; Y42-V46 WeakPolarHBondContact O-CG2 3.27Å; Y42-V46 PolarHBondContact O-N 3.21Å
43F66.7Low68.1Low100 Ų10069 Ų6944%0.43936%0.361SS..Hα-helixtrans-60.8-44.5176.7-76.4-64.3000111.4V39 A40 V45 V46 F47 L126V39-F43 HydrophobicContact CG1-CD2 3.69Å; V39-F43 HydrophobicContact CG1-CE2 3.4Å; V39-F43 VanDerWaalsContact CG1-CE2 3.4Å; V39-F43 WeakPolarHBondContact O-CD2 2.92Å; V39-F43 PolarHBondContact O-N 2.89Å; A40-F43 PolarHBondContact O-N 3.12Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 3.04Å; F43-V46 PolarHBondContact O-N 2.94Å; F43-V46 VanDerWaalsContact O-N 3.16Å; F43-F47 WeakPolarHBondContact O-CD2 3.49Å; F43-F47 PolarHBondContact O-N 2.93Å; F43-L126 HydrophobicContact CB-CD2 4.48Å
44S67.4Low69Low2 Ų273.5 Ų73.51%0.01437%0.366CS..Hα-helixtrans-57-44.1178-63.10000112.8A40 L41 Y42 F47 L48A40-S44 WeakPolarHBondContact O-CB 3.5Å; A40-S44 PolarHBondContact O-N 3.49Å; A40-S44 PolarHBondContact O-OG 3Å; L41-S44 PolarHBondContact O-N 3.01Å; Y42-S44 VanDerWaalsContact C-N 3.34Å; Y42-S44 PolarHBondContact O-N 3.4Å; S44-F47 PolarHBondContact O-N 3.43Å; S44-L48 WeakPolarHBondContact O-CG 3Å; S44-L48 PolarHBondContact O-N 2.63Å
45V73.8Confident70.2Confident81 Ų8171.5 Ų71.549%0.49136%0.358SS..Hα-helixtrans-66.8-43.3176.3174.10000111.4L41 Y42 F43 F47 L48 L49L41-V45 WeakPolarHBondContact O-CG2 3.38Å; L41-V45 PolarHBondContact O-N 3.5Å; Y42-V45 PolarHBondContact O-N 2.97Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 3.04Å; V45-F47 PolarHBondContact O-N 3.38Å; V45-L48 WeakPolarHBondContact O-CB 3.22Å; V45-L48 PolarHBondContact O-N 3.28Å; V45-L49 HydrophobicContact CG1-CD1 4.37Å; V45-L49 WeakPolarHBondContact O-CG 3.31Å; V45-L49 PolarHBondContact O-N 2.99Å
46V76Confident70.9Confident48 Ų4870.3 Ų70.329%0.29134%0.344SS..Hα-helixtrans-60.7-36.2177.7170.90000111.7Y42 F43Y42-V46 HydrophobicContact CD1-CG2 4.38Å; Y42-V46 HydrophobicContact CD2-CG2 4.45Å; Y42-V46 HydrophobicContact CE1-CG2 3.97Å; Y42-V46 HydrophobicContact CE2-CG2 4.04Å; Y42-V46 WeakPolarHBondContact O-CG2 3.27Å; Y42-V46 PolarHBondContact O-N 3.21Å; F43-V46 PolarHBondContact O-N 2.94Å; F43-V46 VanDerWaalsContact O-N 3.16Å
47F68Low71.5Confident51 Ų5168.3 Ų68.322%0.22434%0.337CS..Hα-helixtrans-70.7-41.9175.9-84-72.5000112.9F43 S44 V45 L49 K50 H122 V123F43-F47 WeakPolarHBondContact O-CD2 3.49Å; F43-F47 PolarHBondContact O-N 2.93Å; S44-F47 PolarHBondContact O-N 3.43Å; V45-F47 PolarHBondContact O-N 3.38Å; F47-L49 PolarHBondContact O-N 3.48Å; F47-L49 VanDerWaalsContact O-N 3.15Å; F47-K50 WeakPolarHBondContact O-CB 3.46Å; F47-K50 PolarHBondContact O-N 3.32Å; F47-H122 HydrophobicContact CD1-CB 3.92Å; F47-H122 AromaticContact CD1-CD2 3.94Å; F47-H122 HydrophobicContact CD2-CB 4.15Å; F47-H122 HydrophobicContact CE1-CB 4.1Å; F47-H122 AromaticContact CE1-CD2 3.45Å; F47-H122 VanDerWaalsContact CE1-CD2 3.45Å; F47-H122 WeakPolarHBondContact CE1-CD2 3.46Å; F47-H122 AromaticContact CE1-CG 3.85Å; F47-H122 HydrophobicContact CE2-CB 4.36Å; F47-H122 HydrophobicContact CG-CB 3.96Å; F47-H122 HydrophobicContact CZ-CB 4.33Å; F47-H122 AromaticContact CZ-CD2 3.92Å; F47-V123 HydrophobicContact CB-CG2 3.96Å
48L72.4Confident71.9Confident52 Ų5272.7 Ų72.727%0.27235%0.352SS..Hα-helixtrans-56.3-28174.5-82.2169.1000113.3S44 V45 K50 F53 W54 V123S44-L48 WeakPolarHBondContact O-CG 3Å; S44-L48 PolarHBondContact O-N 2.63Å; V45-L48 WeakPolarHBondContact O-CB 3.22Å; V45-L48 PolarHBondContact O-N 3.28Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-F53 HydrophobicContact CD2-CD1 4.05Å; L48-F53 HydrophobicContact CD2-CE1 3.46Å; L48-F53 VanDerWaalsContact CD2-CE1 3.46Å; L48-F53 HydrophobicContact CD2-CZ 3.95Å; L48-W54 HydrophobicContact CD2-CZ2 4.25Å; L48-W54 PolarHBondContact O-NE1 3.47Å; L48-V123 HydrophobicContact CB-CG2 4.43Å; L48-V123 HydrophobicContact CD1-CG1 4.3Å; L48-V123 HydrophobicContact CD2-CB 4.22Å; L48-V123 HydrophobicContact CD2-CG1 3.42Å; L48-V123 VanDerWaalsContact CD2-CG1 3.42Å; L48-V123 HydrophobicContact CD2-CG2 3.81Å; L48-V123 HydrophobicContact CG-CB 4.39Å; L48-V123 HydrophobicContact CG-CG1 3.72Å; L48-V123 HydrophobicContact CG-CG2 3.71Å
49L79.5Confident72.2Confident134 Ų13468.6 Ų68.670%0.70233%0.332SS*.THydrogen-bonded Turntrans-82.7-8.1179.6-65.4173.4000113.7V45 F47V45-L49 HydrophobicContact CG1-CD1 4.37Å; V45-L49 WeakPolarHBondContact O-CG 3.31Å; V45-L49 PolarHBondContact O-N 2.99Å; F47-L49 PolarHBondContact O-N 3.48Å; F47-L49 VanDerWaalsContact O-N 3.15Å
50K75.6Confident72.5Confident79 Ų7965.5 Ų65.534%0.34331%0.312SS..SBendtrans-78.5135.7-179.6-64.4-56.7-166.5-175.50111.3F47 L48 W52 F53F47-K50 WeakPolarHBondContact O-CB 3.46Å; F47-K50 PolarHBondContact O-N 3.32Å; L48-K50 VanDerWaalsContact C-N 3.33Å; K50-W52 VanDerWaalsContact C-N 3.29Å; K50-W52 HydrophobicContact CB-CD2 3.79Å; K50-W52 HydrophobicContact CB-CE3 4.32Å; K50-W52 HydrophobicContact CB-CG 4.24Å; K50-W52 HydrophobicContact CB-CH2 4.19Å; K50-W52 HydrophobicContact CB-CZ2 3.62Å; K50-W52 HydrophobicContact CB-CZ3 4.49Å; K50-W52 HydrophobicContact CD-CH2 3.48Å; K50-W52 VanDerWaalsContact CD-CH2 3.48Å; K50-W52 HydrophobicContact CD-CZ2 3.47Å; K50-W52 VanDerWaalsContact CD-CZ2 3.47Å; K50-W52 HydrophobicContact CD-CZ3 4.18Å; K50-W52 HydrophobicContact CG-CD2 4.48Å; K50-W52 HydrophobicContact CG-CH2 3.93Å; K50-W52 HydrophobicContact CG-CZ2 3.35Å; K50-W52 PolarHBondContact O-N 3.29Å; K50-F53 WeakPolarHBondContact O-CB 3.46Å; K50-F53 PolarHBondContact O-N 3.37Å
51P75.2Confident73Confident59 Ų5972.3 Ų72.338%0.38334%0.336SS..Hα-helixtrans-66.5-31.2-175.423.6-32000113.2F53 W54 E55P51-F53 PolarHBondContact O-N 3.42Å; P51-W54 PolarHBondContact O-N 3.46Å; P51-E55 PolarHBondContact O-N 2.93Å; P51-E55 VanDerWaalsContact O-N 3.13Å
52W68.5Low73.1Confident87 Ų8771 Ų7133%0.3334%0.342SS..Hα-helixtrans-68.9-12.81755771.9000113.7K50 R58 N120K50-W52 VanDerWaalsContact C-N 3.29Å; K50-W52 HydrophobicContact CB-CD2 3.79Å; K50-W52 HydrophobicContact CB-CE3 4.32Å; K50-W52 HydrophobicContact CB-CG 4.24Å; K50-W52 HydrophobicContact CB-CH2 4.19Å; K50-W52 HydrophobicContact CB-CZ2 3.62Å; K50-W52 HydrophobicContact CB-CZ3 4.49Å; K50-W52 HydrophobicContact CD-CH2 3.48Å; K50-W52 VanDerWaalsContact CD-CH2 3.48Å; K50-W52 HydrophobicContact CD-CZ2 3.47Å; K50-W52 VanDerWaalsContact CD-CZ2 3.47Å; K50-W52 HydrophobicContact CD-CZ3 4.18Å; K50-W52 HydrophobicContact CG-CD2 4.48Å; K50-W52 HydrophobicContact CG-CH2 3.93Å; K50-W52 HydrophobicContact CG-CZ2 3.35Å; K50-W52 PolarHBondContact O-N 3.29Å; W52-R58 HydrophobicContact CB-CB 4.27Å; W52-N120 HydrophobicContact CG-CB 4.06Å
53F67.6Low72.8Confident14 Ų1468 Ų686%0.06133%0.331CS..Hα-helixtrans-72.4-42173.3179.6-103.1000111.3L48 K50 P51 N121 V123L48-F53 HydrophobicContact CD2-CD1 4.05Å; L48-F53 HydrophobicContact CD2-CE1 3.46Å; L48-F53 VanDerWaalsContact CD2-CE1 3.46Å; L48-F53 HydrophobicContact CD2-CZ 3.95Å; K50-F53 WeakPolarHBondContact O-CB 3.46Å; K50-F53 PolarHBondContact O-N 3.37Å; P51-F53 PolarHBondContact O-N 3.42Å; F53-N121 WeakPolarHBondContact CD2-OD1 3.04Å; F53-N121 HydrophobicContact CE2-CB 4.42Å; F53-N121 PolarHBondContact O-OD1 3.07Å; F53-V123 HydrophobicContact CD1-CG2 4.3Å; F53-V123 HydrophobicContact CD2-CB 4.08Å; F53-V123 HydrophobicContact CD2-CG2 3.46Å; F53-V123 VanDerWaalsContact CD2-CG2 3.46Å; F53-V123 HydrophobicContact CE1-CB 4.36Å; F53-V123 HydrophobicContact CE1-CG1 4.42Å; F53-V123 HydrophobicContact CE1-CG2 4.04Å; F53-V123 HydrophobicContact CE2-CB 3.25Å; F53-V123 HydrophobicContact CE2-CG1 4.09Å; F53-V123 HydrophobicContact CE2-CG2 3.15Å; F53-V123 HydrophobicContact CG-CG2 4.05Å; F53-V123 HydrophobicContact CZ-CB 3.4Å; F53-V123 VanDerWaalsContact CZ-CB 3.4Å; F53-V123 HydrophobicContact CZ-CG1 3.69Å; F53-V123 HydrophobicContact CZ-CG2 3.45Å; F53-V123 VanDerWaalsContact CZ-CG2 3.45Å
54W75.4Confident72.7Confident150 Ų15066.2 Ų66.257%0.56833%0.329SS*.Hα-helixtrans-84.4-31.9-178.7-65.3104.2000113L48 P51 R170L48-W54 HydrophobicContact CD2-CZ2 4.25Å; L48-W54 PolarHBondContact O-NE1 3.47Å; P51-W54 PolarHBondContact O-N 3.46Å; W54-R170 PolarHBondContact O-NH1 3.47Å
55E79.2Confident72.5Confident93 Ų9374.4 Ų74.444%0.43537%0.365SS..  trans-113.297178.6-68.4176.5-13300110.9P51 A57 R58P51-E55 PolarHBondContact O-N 2.93Å; P51-E55 VanDerWaalsContact O-N 3.13Å; E55-A57 VanDerWaalsContact C-N 3.25Å; E55-A57 PolarHBondContact O-N 3.02Å; E55-R58 HydrophobicContact CB-CG 3.94Å; E55-R58 VanDerWaalsContact CD-NE 3.27Å; E55-R58 WeakPolarHBondContact O-CB 3.15Å; E55-R58 PolarHBondContact O-N 3.37Å; E55-R58 VanDerWaalsContact O-N 3.12Å; E55-R58 IonicContact OE1-CZ 3.4Å; E55-R58 IonicContact OE1-NE 3.55Å; E55-R58 IonicContact OE1-NH2 2.7Å; E55-R58 PolarHBondContact OE1-NH2 3.17Å; E55-R58 IonicContact OE2-CZ 3.26Å; E55-R58 VanDerWaalsContact OE2-CZ 3.26Å; E55-R58 IonicContact OE2-NE 2.69Å; E55-R58 PolarHBondContact OE2-NE 3.28Å; E55-R58 IonicContact OE2-NH2 3.01Å; E55-R58 PolarHBondContact OE2-NH2 2.87Å
56T76Confident72.2Confident12 Ų1273 Ų737%0.07435%0.353CS..G310 helixtrans-61.1-33.2-179.348.30000112.9R58 C59 S174 E178T56-R58 PolarHBondContact O-N 3.03Å; T56-R58 VanDerWaalsContact O-N 3.15Å; T56-C59 WeakPolarHBondContact O-CB 3.41Å; T56-C59 PolarHBondContact O-N 2.86Å; T56-C59 PolarHBondContact O-SG 3.31Å; T56-C59 VanDerWaalsContact O-SG 3.4Å; T56-S174 WeakPolarHBondContact CB-OG 3.45Å; T56-E178 WeakPolarHBondContact CB-OE2 3.39Å; T56-E178 PolarHBondContact OG1-OE1 3.4Å; T56-E178 PolarHBondContact OG1-OE2 3.41Å
57A76.2Confident71.7Confident30 Ų3075.8 Ų75.825%0.24837%0.369CS..G310 helixtrans-56.1-32176.300000112.8E55 C59 W60 Y61 E178E55-A57 VanDerWaalsContact C-N 3.25Å; E55-A57 PolarHBondContact O-N 3.02Å; A57-C59 PolarHBondContact O-N 2.91Å; A57-W60 PolarHBondContact O-N 3.49Å; A57-Y61 VanDerWaalsContact O-CD2 3.26Å; A57-Y61 WeakPolarHBondContact O-CD2 3.08Å; A57-E178 PolarHBondContact N-OE2 3.47Å
58R75.3Confident71.7Confident114 Ų11481.7 Ų81.743%0.4340%0.395SS..G310 helixtrans-64.2-24.3178.6-67.7-168.1-170-166.711.3113.4W52 E55 T56 W60W52-R58 HydrophobicContact CB-CB 4.27Å; E55-R58 HydrophobicContact CB-CG 3.94Å; E55-R58 VanDerWaalsContact CD-NE 3.27Å; E55-R58 WeakPolarHBondContact O-CB 3.15Å; E55-R58 PolarHBondContact O-N 3.37Å; E55-R58 VanDerWaalsContact O-N 3.12Å; E55-R58 IonicContact OE1-CZ 3.4Å; E55-R58 IonicContact OE1-NE 3.55Å; E55-R58 IonicContact OE1-NH2 2.7Å; E55-R58 PolarHBondContact OE1-NH2 3.17Å; E55-R58 IonicContact OE2-CZ 3.26Å; E55-R58 VanDerWaalsContact OE2-CZ 3.26Å; E55-R58 IonicContact OE2-NE 2.69Å; E55-R58 PolarHBondContact OE2-NE 3.28Å; E55-R58 IonicContact OE2-NH2 3.01Å; E55-R58 PolarHBondContact OE2-NH2 2.87Å; T56-R58 PolarHBondContact O-N 3.03Å; T56-R58 VanDerWaalsContact O-N 3.15Å; R58-W60 PolarHBondContact O-N 3.36Å
59C72.8Confident71.5Confident9 Ų980.6 Ų80.66%0.06139%0.391CS..G310 helixtrans-64.3-28.5178-59.80000112.2T56 A57 N120T56-C59 WeakPolarHBondContact O-CB 3.41Å; T56-C59 PolarHBondContact O-N 2.86Å; T56-C59 PolarHBondContact O-SG 3.31Å; T56-C59 VanDerWaalsContact O-SG 3.4Å; A57-C59 PolarHBondContact O-N 2.91Å; C59-N120 PolarHBondContact SG-ND2 2.95Å
60W73.5Confident70.7Confident14 Ų1480.1 Ų80.15%0.05338%0.38CS..THydrogen-bonded Turntrans-87.1-21.3-174.3-62.3115.1000114.2A57 R58 G62 Y63 H118 Y119 S174 A179 L182 V183A57-W60 PolarHBondContact O-N 3.49Å; R58-W60 PolarHBondContact O-N 3.36Å; W60-G62 PolarHBondContact O-N 3.45Å; W60-Y63 WeakPolarHBondContact O-CB 3.43Å; W60-Y63 PolarHBondContact O-N 3.41Å; W60-H118 AromaticContact CH2-NE2 3.68Å; W60-H118 AromaticContact CZ3-NE2 3.71Å; W60-Y119 AromaticContact CE2-CE1 3.83Å; W60-Y119 AromaticContact CH2-CE1 3.68Å; W60-Y119 HydrophobicContact CH2-CE1 3.68Å; W60-Y119 AromaticContact CH2-CZ 3.74Å; W60-Y119 WeakPolarHBondContact CH2-OH 3.31Å; W60-Y119 HydrophobicContact CZ2-CD1 4.39Å; W60-Y119 AromaticContact CZ2-CE1 3.18Å; W60-Y119 HydrophobicContact CZ2-CE1 3.18Å; W60-Y119 AromaticContact CZ2-CZ 3.56Å; W60-Y119 WeakPolarHBondContact CZ2-OH 3.34Å; W60-S174 PolarHBondContact NE1-OG 3.41Å; W60-S174 VanDerWaalsContact NE1-OG 3.13Å; W60-A179 HydrophobicContact CD2-CB 4.33Å; W60-A179 HydrophobicContact CH2-CB 3.47Å; W60-A179 VanDerWaalsContact CH2-CB 3.47Å; W60-A179 HydrophobicContact CZ2-CB 3.14Å; W60-A179 HydrophobicContact CZ3-CB 4.17Å; W60-L182 HydrophobicContact CB-CB 4.16Å; W60-L182 HydrophobicContact CB-CD1 3.45Å; W60-L182 VanDerWaalsContact CB-CD1 3.45Å; W60-L182 HydrophobicContact CB-CG 4.45Å; W60-L182 HydrophobicContact CG-CD1 4.06Å; W60-V183 HydrophobicContact CE3-CG2 3.93Å; W60-V183 HydrophobicContact CZ3-CG2 4.38Å
61Y73.8Confident70.3Confident155 Ų15581.2 Ų81.261%0.60839%0.388SS*.THydrogen-bonded Turntrans-68.1123.8179.6-71.9-85000111A57 Y63 Q66A57-Y61 VanDerWaalsContact O-CD2 3.26Å; A57-Y61 WeakPolarHBondContact O-CD2 3.08Å; Y61-Y63 VanDerWaalsContact C-N 3.31Å; Y61-Q66 PolarHBondContact O-NE2 3.4Å
62G70.9Confident69.9Low55 Ų5585.4 Ų85.457%0.56740%0.397SS*.THydrogen-bonded Turntrans798.5-178.900000114.8W60 F65W60-G62 PolarHBondContact O-N 3.45Å; G62-F65 PolarHBondContact O-N 3.07Å
63Y65.4Low69.6Low89 Ų8983.3 Ų83.335%0.34939%0.389SS..THydrogen-bonded Turntrans-60.7139.1167.2-175-91.7000110.1W60 Y61 H118 V183W60-Y63 WeakPolarHBondContact O-CB 3.43Å; W60-Y63 PolarHBondContact O-N 3.41Å; Y61-Y63 VanDerWaalsContact C-N 3.31Å; Y63-H118 AromaticContact CE2-CE1 3.93Å; Y63-V183 HydrophobicContact CD1-CG1 4Å; Y63-V183 HydrophobicContact CD1-CG2 4.03Å; Y63-V183 HydrophobicContact CE1-CG1 4.14Å
64P65.1Low69.6Low63 Ų6388.6 Ų88.641%0.40942%0.416SS..THydrogen-bonded Turncis-95.475.636-35.8000115.9Q66P64-Q66 PolarHBondContact O-N 3.29Å; P64-Q66 VanDerWaalsContact O-N 3.14Å
65F62.6Low69.2Low173 Ų17385.8 Ų85.876%0.75942%0.416SS*.  trans-92.365.1-167.7-57.1-73000113.1G62G62-F65 PolarHBondContact O-N 3.07Å
66Q68.1Low68.4Low53 Ų5383.7 Ų83.725%0.24841%0.406CS..  trans-117.588175.5-62.4-171.6-1.400111.7Y61 P64 K68 V69 R70Y61-Q66 PolarHBondContact O-NE2 3.4Å; P64-Q66 PolarHBondContact O-N 3.29Å; P64-Q66 VanDerWaalsContact O-N 3.14Å; Q66-K68 PolarHBondContact O-N 3.2Å; Q66-V69 HydrophobicContact CB-CB 4.13Å; Q66-V69 HydrophobicContact CB-CG2 3.97Å; Q66-V69 PolarHBondContact O-N 2.72Å; Q66-R70 WeakPolarHBondContact O-CB 3.11Å; Q66-R70 PolarHBondContact O-N 3.21Å
67V65.5Low67.9Low105 Ų10586.8 Ų86.864%0.63642%0.421SS*.Hα-helixtrans-62-44.2-174.9-178.50000112.6V69 R70 I71V67-V69 VanDerWaalsContact C-N 3.33Å; V67-V69 PolarHBondContact O-N 2.94Å; V67-R70 PolarHBondContact O-N 2.95Å; V67-I71 HydrophobicContact CG1-CD1 4.45Å; V67-I71 PolarHBondContact O-N 2.85Å
68K67.9Low67.6Low175 Ų17589.2 Ų89.276%0.76144%0.437SS*.Hα-helixtrans-60.6-45.5-178.2-68.4-176.3-179.9179.30111.2Q66 I71 Y72Q66-K68 PolarHBondContact O-N 3.2Å; K68-I71 PolarHBondContact O-N 3.21Å; K68-Y72 WeakPolarHBondContact O-CD2 3.19Å
69V67.4Low67.1Low30 Ų3089.2 Ų89.218%0.18244%0.44CS..Hα-helixtrans-70.6-38-176.9-161.40000110.7Q66 V67 I71 Y72 Y73Q66-V69 HydrophobicContact CB-CB 4.13Å; Q66-V69 HydrophobicContact CB-CG2 3.97Å; Q66-V69 PolarHBondContact O-N 2.72Å; V67-V69 VanDerWaalsContact C-N 3.33Å; V67-V69 PolarHBondContact O-N 2.94Å; V69-I71 VanDerWaalsContact C-N 3.32Å; V69-I71 PolarHBondContact O-N 3.13Å; V69-Y72 PolarHBondContact O-N 3.41Å; V69-Y73 HydrophobicContact CB-CE2 4.06Å; V69-Y73 HydrophobicContact CG1-CD1 4.43Å; V69-Y73 HydrophobicContact CG1-CD2 4.1Å; V69-Y73 HydrophobicContact CG1-CE1 3.67Å; V69-Y73 HydrophobicContact CG1-CE2 3.27Å; V69-Y73 WeakPolarHBondContact CG1-OH 3.5Å; V69-Y73 WeakPolarHBondContact O-CD1 3.05Å; V69-Y73 WeakPolarHBondContact O-CD2 3.21Å; V69-Y73 PolarHBondContact O-N 2.72Å; V69-Y73 VanDerWaalsContact O-N 3.17Å
70R63.6Low66.7Low124 Ų12491 Ų9147%0.46845%0.446SS..Hα-helixtrans-56.6-39.3175.3-173.6-173.7-62.7-170.2-1114Q66 V67 Y73 M74Q66-R70 WeakPolarHBondContact O-CB 3.11Å; Q66-R70 PolarHBondContact O-N 3.21Å; V67-R70 PolarHBondContact O-N 2.95Å; R70-Y73 WeakPolarHBondContact O-CB 3.27Å; R70-Y73 PolarHBondContact O-N 3.24Å; R70-M74 HydrophobicContact CG-SD 4.43Å; R70-M74 WeakPolarHBondContact O-CG 3.4Å; R70-M74 PolarHBondContact O-N 3.44Å
71I67Low66.3Low101 Ų10191.1 Ų91.152%0.51845%0.452SS..Hα-helixtrans-67.1-45.8-178.6-64.3169.7000110.3V67 K68 V69 Y73 M74 T75V67-I71 HydrophobicContact CG1-CD1 4.45Å; V67-I71 PolarHBondContact O-N 2.85Å; K68-I71 PolarHBondContact O-N 3.21Å; V69-I71 VanDerWaalsContact C-N 3.32Å; V69-I71 PolarHBondContact O-N 3.13Å; I71-Y73 PolarHBondContact O-N 2.89Å; I71-M74 PolarHBondContact O-N 3.5Å; I71-T75 PolarHBondContact O-N 3.33Å; I71-T75 PolarHBondContact O-OG1 3.42Å
72Y65.6Low66.1Low148 Ų14886.3 Ų86.358%0.5844%0.441SS*.Hα-helixtrans-53.4-45.9174.3-70.2-72.7000110.6K68 V69 M74 T75 E76K68-Y72 WeakPolarHBondContact O-CD2 3.19Å; V69-Y72 PolarHBondContact O-N 3.41Å; Y72-M74 PolarHBondContact O-N 2.94Å; Y72-T75 PolarHBondContact O-N 2.91Å; Y72-E76 WeakPolarHBondContact O-CG 3.29Å; Y72-E76 PolarHBondContact O-N 3.09Å
73Y63.5Low65.8Low42 Ų4286.1 Ų86.117%0.16543%0.426CS..Hα-helixtrans-62.8-42.7179.4-57.6-25.8000114.1V69 R70 I71 L77 S117 N120V69-Y73 HydrophobicContact CB-CE2 4.06Å; V69-Y73 HydrophobicContact CG1-CD1 4.43Å; V69-Y73 HydrophobicContact CG1-CD2 4.1Å; V69-Y73 HydrophobicContact CG1-CE1 3.67Å; V69-Y73 HydrophobicContact CG1-CE2 3.27Å; V69-Y73 WeakPolarHBondContact CG1-OH 3.5Å; V69-Y73 WeakPolarHBondContact O-CD1 3.05Å; V69-Y73 WeakPolarHBondContact O-CD2 3.21Å; V69-Y73 PolarHBondContact O-N 2.72Å; V69-Y73 VanDerWaalsContact O-N 3.17Å; R70-Y73 WeakPolarHBondContact O-CB 3.27Å; R70-Y73 PolarHBondContact O-N 3.24Å; I71-Y73 PolarHBondContact O-N 2.89Å; Y73-L77 WeakPolarHBondContact O-CB 3.37Å; Y73-L77 PolarHBondContact O-N 3.38Å; Y73-S117 WeakPolarHBondContact CD1-O 3.37Å; Y73-S117 WeakPolarHBondContact CD2-O 3.36Å; Y73-S117 WeakPolarHBondContact CE1-O 2.88Å; Y73-S117 WeakPolarHBondContact CE2-O 3.16Å; Y73-S117 VanDerWaalsContact CG-O 3.24Å; Y73-N120 PolarHBondContact OH-OD1 3.2Å
74M67.4Low65.9Low125 Ų12583.6 Ų83.662%0.61642%0.42SS*.Hα-helixtrans-68.6-40.8178.6-74.3-172.6153.800112.3R70 I71 Y72 S78R70-M74 HydrophobicContact CG-SD 4.43Å; R70-M74 WeakPolarHBondContact O-CG 3.4Å; R70-M74 PolarHBondContact O-N 3.44Å; I71-M74 PolarHBondContact O-N 3.5Å; Y72-M74 PolarHBondContact O-N 2.94Å; M74-S78 WeakPolarHBondContact O-CB 3.46Å; M74-S78 PolarHBondContact O-N 2.91Å; M74-S78 VanDerWaalsContact O-N 3.09Å; M74-S78 PolarHBondContact O-OG 3.3Å
75T66.1Low66Low92 Ų9285.9 Ų85.956%0.56443%0.428SS*.Hα-helixtrans-63.9-45.9178.4-61.10000111.1I71 Y72 S78 F79I71-T75 PolarHBondContact O-N 3.33Å; I71-T75 PolarHBondContact O-OG1 3.42Å; Y72-T75 PolarHBondContact O-N 2.91Å; T75-S78 WeakPolarHBondContact O-CB 3.13Å; T75-S78 PolarHBondContact O-N 3.16Å; T75-F79 PolarHBondContact O-N 3.21Å
76E62.9Low66.2Low49 Ų4980.5 Ų80.523%0.22941%0.412CS..Hα-helixtrans-74.2-36.2-179-67.7175.7146.500112.4Y72 S78 F79 Y80 H113 H122Y72-E76 WeakPolarHBondContact O-CG 3.29Å; Y72-E76 PolarHBondContact O-N 3.09Å; E76-S78 PolarHBondContact O-N 3Å; E76-F79 WeakPolarHBondContact O-CA 3.26Å; E76-F79 WeakPolarHBondContact O-CB 3.17Å; E76-F79 PolarHBondContact O-N 3.21Å; E76-Y80 WeakPolarHBondContact O-CD2 3.48Å; E76-Y80 PolarHBondContact O-N 3.43Å; E76-H113 VanDerWaalsContact C-NE2 3.27Å; E76-H113 WeakPolarHBondContact CB-CE1 3.36Å; E76-H113 WeakPolarHBondContact CB-NE2 3.36Å; E76-H113 IonicContact OE2-CE1 3.42Å; E76-H113 PolarHBondContact OE2-CE1 3.45Å; E76-H113 IonicContact OE2-ND1 3.79Å; E76-H122 IonicContact OE1-CE1 3.18Å; E76-H122 PolarHBondContact OE1-CE1 3.48Å; E76-H122 IonicContact OE1-ND1 3.75Å; E76-H122 IonicContact OE2-CE1 3.49Å; E76-H122 PolarHBondContact OE2-CE1 2.71Å
77L65Low66Low76 Ų7679.7 Ų79.740%0.39841%0.408SS..Hα-helixtrans-61.4-36.5174.6-178.867.9000110.5Y73 G81 F110 H113 V114Y73-L77 WeakPolarHBondContact O-CB 3.37Å; Y73-L77 PolarHBondContact O-N 3.38Å; L77-G81 WeakPolarHBondContact O-CA 3.24Å; L77-G81 PolarHBondContact O-N 3.05Å; L77-F110 HydrophobicContact CD1-CD2 4.33Å; L77-F110 HydrophobicContact CD1-CE2 3.39Å; L77-F110 HydrophobicContact CD1-CZ 3.68Å; L77-H113 WeakPolarHBondContact CA-NE2 3.19Å; L77-H113 PolarHBondContact N-NE2 2.89Å; L77-V114 HydrophobicContact CD1-CG2 4.32Å
78S69.7Low66Low82 Ų8282.9 Ų82.957%0.57341%0.414SS*.Hα-helixtrans-67.5-39.2174.4-560000111.5M74 T75 E76 S82M74-S78 WeakPolarHBondContact O-CB 3.46Å; M74-S78 PolarHBondContact O-N 2.91Å; M74-S78 VanDerWaalsContact O-N 3.09Å; M74-S78 PolarHBondContact O-OG 3.3Å; T75-S78 WeakPolarHBondContact O-CB 3.13Å; T75-S78 PolarHBondContact O-N 3.16Å; E76-S78 PolarHBondContact O-N 3Å; S78-S82 VanDerWaalsContact O-CB 3.27Å; S78-S82 WeakPolarHBondContact O-CB 3.32Å; S78-S82 PolarHBondContact O-N 3.06Å; S78-S82 PolarHBondContact O-OG 2.99Å
79F65.4Low66Low114 Ų11481.3 Ų81.350%0.541%0.413SS..Hα-helixtrans-62.7-58.1175.7178.5-106.1000111.5T75 E76 G81 S82 L83T75-F79 PolarHBondContact O-N 3.21Å; E76-F79 WeakPolarHBondContact O-CA 3.26Å; E76-F79 WeakPolarHBondContact O-CB 3.17Å; E76-F79 PolarHBondContact O-N 3.21Å; F79-G81 VanDerWaalsContact C-N 3.34Å; F79-G81 PolarHBondContact O-N 3.4Å; F79-S82 WeakPolarHBondContact O-CB 3.49Å; F79-S82 PolarHBondContact O-N 3.42Å; F79-S82 VanDerWaalsContact O-N 3.15Å; F79-S82 PolarHBondContact O-OG 2.94Å; F79-L83 HydrophobicContact CD1-CD1 4.25Å; F79-L83 HydrophobicContact CE1-CD1 3.76Å; F79-L83 HydrophobicContact CZ-CD1 4.03Å; F79-L83 PolarHBondContact O-N 3.41Å; F79-L83 VanDerWaalsContact O-N 3.1Å
80Y64.9Low65.8Low46 Ų4682.2 Ų82.218%0.1842%0.417CS..Hα-helixtrans-67.1-35179.4-71.5-75.6000112.8E76 S82 L83 V84 H113E76-Y80 WeakPolarHBondContact O-CD2 3.48Å; E76-Y80 PolarHBondContact O-N 3.43Å; Y80-S82 VanDerWaalsContact C-N 3.31Å; Y80-S82 PolarHBondContact O-N 3.04Å; Y80-L83 HydrophobicContact CD1-CD1 4.02Å; Y80-L83 HydrophobicContact CE1-CD1 4.48Å; Y80-L83 WeakPolarHBondContact O-CB 3.27Å; Y80-L83 PolarHBondContact O-N 2.69Å; Y80-L83 VanDerWaalsContact O-N 3.15Å; Y80-V84 WeakPolarHBondContact O-CG2 3.02Å; Y80-V84 PolarHBondContact O-N 3.32Å; Y80-H113 HydrophobicContact CD2-CB 3.38Å; Y80-H113 AromaticContact CD2-CD2 3.7Å; Y80-H113 AromaticContact CD2-CG 3.17Å; Y80-H113 AromaticContact CD2-ND1 3.75Å; Y80-H113 HydrophobicContact CE2-CB 3.57Å; Y80-H113 AromaticContact CE2-CG 3.51Å; Y80-H113 AromaticContact CE2-ND1 3.69Å; Y80-H113 HydrophobicContact CG-CB 3.98Å
81G63.9Low65.6Low17 Ų1780.9 Ų80.918%0.17542%0.422CS..Hα-helixtrans-60.2-41.3172.100000111.9L77 F79 L83 V84 L85L77-G81 WeakPolarHBondContact O-CA 3.24Å; L77-G81 PolarHBondContact O-N 3.05Å; F79-G81 VanDerWaalsContact C-N 3.34Å; F79-G81 PolarHBondContact O-N 3.4Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.26Å; G81-V84 PolarHBondContact O-N 3.38Å; G81-L85 WeakPolarHBondContact O-CB 2.92Å; G81-L85 VanDerWaalsContact O-CG 3.3Å; G81-L85 WeakPolarHBondContact O-CG 3.29Å; G81-L85 PolarHBondContact O-N 2.89Å
82S69.6Low65.2Low54 Ų5480.9 Ų80.938%0.37842%0.422SS..Hα-helixtrans-62.2-39.7173.378.60000111.7S78 F79 Y80 V84 L85 S86S78-S82 VanDerWaalsContact O-CB 3.27Å; S78-S82 WeakPolarHBondContact O-CB 3.32Å; S78-S82 PolarHBondContact O-N 3.06Å; S78-S82 PolarHBondContact O-OG 2.99Å; F79-S82 WeakPolarHBondContact O-CB 3.49Å; F79-S82 PolarHBondContact O-N 3.42Å; F79-S82 VanDerWaalsContact O-N 3.15Å; F79-S82 PolarHBondContact O-OG 2.94Å; Y80-S82 VanDerWaalsContact C-N 3.31Å; Y80-S82 PolarHBondContact O-N 3.04Å; S82-V84 PolarHBondContact O-N 3.39Å; S82-L85 PolarHBondContact O-N 3.35Å; S82-S86 WeakPolarHBondContact O-CB 3.38Å; S82-S86 PolarHBondContact O-N 3.47Å; S82-S86 PolarHBondContact O-OG 3.03Å
83L64.8Low64.8Low51 Ų5177.1 Ų77.127%0.26741%0.407SS..Hα-helixtrans-64.2-41.4177.2-64.8176000112.3F79 Y80 G81 S86 Q87F79-L83 HydrophobicContact CD1-CD1 4.25Å; F79-L83 HydrophobicContact CE1-CD1 3.76Å; F79-L83 HydrophobicContact CZ-CD1 4.03Å; F79-L83 PolarHBondContact O-N 3.41Å; F79-L83 VanDerWaalsContact O-N 3.1Å; Y80-L83 HydrophobicContact CD1-CD1 4.02Å; Y80-L83 HydrophobicContact CE1-CD1 4.48Å; Y80-L83 WeakPolarHBondContact O-CB 3.27Å; Y80-L83 PolarHBondContact O-N 2.69Å; Y80-L83 VanDerWaalsContact O-N 3.15Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.26Å; L83-S86 PolarHBondContact O-N 3.14Å; L83-Q87 WeakPolarHBondContact O-CG 3.5Å; L83-Q87 PolarHBondContact O-N 3.12Å; L83-Q87 PolarHBondContact O-NE2 3.46Å; L83-Q87 VanDerWaalsContact O-NE2 3.08Å
84V68.4Low64Low36 Ų3681.9 Ų81.922%0.21843%0.429CS..Hα-helixtrans-65.3-43.9175173.30000110.8Y80 G81 S82 Q87 F88 F110Y80-V84 WeakPolarHBondContact O-CG2 3.02Å; Y80-V84 PolarHBondContact O-N 3.32Å; G81-V84 PolarHBondContact O-N 3.38Å; S82-V84 PolarHBondContact O-N 3.39Å; V84-Q87 WeakPolarHBondContact O-CB 3.43Å; V84-Q87 PolarHBondContact O-N 3.14Å; V84-Q87 VanDerWaalsContact O-N 3.17Å; V84-F88 HydrophobicContact CG1-CE2 4.29Å; V84-F88 WeakPolarHBondContact O-CD2 2.94Å; V84-F110 HydrophobicContact CG2-CB 4.14Å; V84-F110 HydrophobicContact CG2-CD2 4.39Å; V84-F110 HydrophobicContact CG2-CG 4.37Å
85L67.5Low63.4Low111 Ų11178.8 Ų78.858%0.58142%0.416SS*.Hα-helixtrans-65.6-40.3177.1-71.5174.7000112.1G81 S82 Q87 F88 L89G81-L85 WeakPolarHBondContact O-CB 2.92Å; G81-L85 VanDerWaalsContact O-CG 3.3Å; G81-L85 WeakPolarHBondContact O-CG 3.29Å; G81-L85 PolarHBondContact O-N 2.89Å; S82-L85 PolarHBondContact O-N 3.35Å; L85-Q87 PolarHBondContact O-N 3.49Å; L85-F88 PolarHBondContact O-N 2.86Å; L85-F88 VanDerWaalsContact O-N 3.09Å; L85-L89 PolarHBondContact O-N 2.82Å
86S67.1Low62.7Low59 Ų5978.9 Ų78.941%0.41342%0.419SS..Hα-helixtrans-57.7-28.5174-70.20000111.9S82 L83 F88 L89 D90S82-S86 WeakPolarHBondContact O-CB 3.38Å; S82-S86 PolarHBondContact O-N 3.47Å; S82-S86 PolarHBondContact O-OG 3.03Å; L83-S86 PolarHBondContact O-N 3.14Å; S86-F88 PolarHBondContact O-N 3.17Å; S86-L89 PolarHBondContact O-N 2.77Å; S86-D90 WeakPolarHBondContact O-CB 3.09Å; S86-D90 PolarHBondContact O-N 3.16Å
87Q63Low62.2Low37 Ų3782.6 Ų82.617%0.17344%0.44CS..Hα-helixtrans-63.8-39175.7-59.6-45.9-67.700112.8L83 V84 L85 L89 Y106L83-Q87 WeakPolarHBondContact O-CG 3.5Å; L83-Q87 PolarHBondContact O-N 3.12Å; L83-Q87 PolarHBondContact O-NE2 3.46Å; L83-Q87 VanDerWaalsContact O-NE2 3.08Å; V84-Q87 WeakPolarHBondContact O-CB 3.43Å; V84-Q87 PolarHBondContact O-N 3.14Å; V84-Q87 VanDerWaalsContact O-N 3.17Å; L85-Q87 PolarHBondContact O-N 3.49Å; Q87-L89 VanDerWaalsContact C-N 3.33Å; Q87-Y106 VanDerWaalsContact CD-CD2 3.4Å; Q87-Y106 VanDerWaalsContact CD-CE2 3.46Å; Q87-Y106 HydrophobicContact CG-CD2 3.88Å; Q87-Y106 HydrophobicContact CG-CE2 4.42Å
88F65.2Low61.7Low171 Ų17181.7 Ų81.775%0.7544%0.436SS*.Hα-helixtrans-74.8-27.3179.6-65.8-74000112.6V84 L85 S86V84-F88 HydrophobicContact CG1-CE2 4.29Å; V84-F88 WeakPolarHBondContact O-CD2 2.94Å; L85-F88 PolarHBondContact O-N 2.86Å; L85-F88 VanDerWaalsContact O-N 3.09Å; S86-F88 PolarHBondContact O-N 3.17Å
89L68.2Low60.8Low142 Ų14281.1 Ų81.174%0.74342%0.424SS*.Hα-helixtrans-88.1-26.9-179.2-61.7178000112.7L85 S86 Q87 V91L85-L89 PolarHBondContact O-N 2.82Å; S86-L89 PolarHBondContact O-N 2.77Å; Q87-L89 VanDerWaalsContact C-N 3.33Å; L89-V91 PolarHBondContact O-N 3.18Å
90D62.7Low60.6Low49 Ų4980.7 Ų80.726%0.26243%0.426SS..  trans-79.889.4-178.6-167.2-0.2000111.1S86 I92 R93S86-D90 WeakPolarHBondContact O-CB 3.09Å; S86-D90 PolarHBondContact O-N 3.16Å; D90-I92 PolarHBondContact O-N 3.18Å; D90-I92 WeakPolarHBondContact OD1-CB 3.24Å; D90-I92 PolarHBondContact OD1-N 2.71Å; D90-R93 WeakPolarHBondContact OD2-CG 3.36Å; D90-R93 IonicContact OD2-NE 2.87Å; D90-R93 PolarHBondContact OD2-NE 2.79Å
91V61Low60.3Low96 Ų9682.3 Ų82.358%0.58244%0.437SS*.G310 helixtrans-65.1-20.5178.4179.70000112.3L89 R93 K94L89-V91 PolarHBondContact O-N 3.18Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 2.87Å; V91-K94 HydrophobicContact CG1-CD 4.43Å
92I57.8Low60Low102 Ų10282.5 Ų82.552%0.52344%0.435SS..G310 helixtrans-76.9-20.8-171.3-61.7169.2000111.8P21 P22 D90 K94P21-I92 HydrophobicContact CB-CG2 3.77Å; P22-I92 HydrophobicContact CG-CG2 4.27Å; D90-I92 PolarHBondContact O-N 3.18Å; D90-I92 WeakPolarHBondContact OD1-CB 3.24Å; D90-I92 PolarHBondContact OD1-N 2.71Å; I92-K94 PolarHBondContact O-N 2.8Å
93R56.2Low59.4Low69 Ų6983.5 Ų83.526%0.2644%0.436SS..G310 helixtrans-81.810.1179.6-67-174.2-173.5-144.1-4.7115.1D90 V91 V95 Y106D90-R93 WeakPolarHBondContact OD2-CG 3.36Å; D90-R93 IonicContact OD2-NE 2.87Å; D90-R93 PolarHBondContact OD2-NE 2.79Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 2.87Å; R93-V95 PolarHBondContact O-N 3.13Å; R93-Y106 PolarHBondContact NH1-OH 3.33Å
94K48.1Very low59.1Low142 Ų14285.4 Ų85.462%0.61744%0.443SS*.  trans-73.557-176.9-72.3179.5177.6172.20114.9V91 I92 E99V91-K94 HydrophobicContact CG1-CD 4.43Å; I92-K94 PolarHBondContact O-N 2.8Å; K94-E99 WeakPolarHBondContact CA-OE1 3.34Å; K94-E99 WeakPolarHBondContact CG-OE1 3.32Å
95V54.5Low58.7Low59 Ų5985.5 Ų85.536%0.35844%0.444SS..  trans-100.9115.4162.4-171.60000106.4R93 D97 N98 E99R93-V95 PolarHBondContact O-N 3.13Å; V95-D97 PolarHBondContact O-N 3.28Å; V95-N98 HydrophobicContact CB-CB 4.47Å; V95-N98 PolarHBondContact O-N 3.46Å; V95-E99 PolarHBondContact O-N 2.78Å
96P51.5Low58.3Low94 Ų9482.6 Ų82.661%0.6143%0.425SS*.Hα-helixtrans-57-26.8-166.718.1-30.8000114.3
97D52.4Low58Low128 Ų12882.5 Ų82.568%0.68442%0.422SS*.Hα-helixtrans-83.3-25-178.5-61.9-20.4000113.4V95V95-D97 PolarHBondContact O-N 3.28Å
98N53.3Low57.8Low57 Ų5781.2 Ų81.231%0.30542%0.418SS..Hα-helixtrans-95.3-24.2-177.2-68.6-2.6000112.8D17 V95 I100 I101 S102D17-N98 PolarHBondContact O-ND2 2.86Å; D17-N98 VanDerWaalsContact O-ND2 3.12Å; V95-N98 HydrophobicContact CB-CB 4.47Å; V95-N98 PolarHBondContact O-N 3.46Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 2.83Å; N98-I101 PolarHBondContact O-N 2.93Å; N98-S102 WeakPolarHBondContact O-CB 3.33Å; N98-S102 PolarHBondContact O-N 3.3Å; N98-S102 PolarHBondContact O-OG 3.4Å
99E52.5Low57.5Low70 Ų7074 Ų7433%0.32739%0.392SS..Hα-helixtrans-57.3-45.3176.8-74.3-175.2-150.800111.4K94 V95 S102 I103K94-E99 WeakPolarHBondContact CA-OE1 3.34Å; K94-E99 WeakPolarHBondContact CG-OE1 3.32Å; V95-E99 PolarHBondContact O-N 2.78Å; E99-S102 WeakPolarHBondContact CA-OG 3.5Å; E99-S102 PolarHBondContact O-N 2.94Å; E99-S102 PolarHBondContact O-OG 3.5Å; E99-I103 HydrophobicContact CB-CD1 4.48Å; E99-I103 VanDerWaalsContact O-CB 3.31Å; E99-I103 WeakPolarHBondContact O-CB 3.35Å; E99-I103 VanDerWaalsContact O-CD1 3.3Å; E99-I103 WeakPolarHBondContact O-CD1 3.2Å; E99-I103 WeakPolarHBondContact O-CG1 3.44Å; E99-I103 PolarHBondContact O-N 3.37Å
100I59.2Low57.1Low105 Ų10570.1 Ų70.154%0.53837%0.369SS..Hα-helixtrans-64.7-48-177.5-60.5176.9000110.2N98 I103 H104N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 2.83Å; I100-I103 PolarHBondContact O-N 2.9Å; I100-H104 VanDerWaalsContact CG2-CE1 3.48Å; I100-H104 WeakPolarHBondContact CG2-CE1 3.47Å; I100-H104 WeakPolarHBondContact O-CB 3Å; I100-H104 PolarHBondContact O-N 3.4Å; I100-H104 PolarHBondContact O-ND1 3.13Å
101I59.9Low57Low80 Ų8068.5 Ų68.541%0.4136%0.361SS..Hα-helixtrans-63.2-47.3-178.4-61.5174.4000110.2N98 H104 V105 W206N98-I101 PolarHBondContact O-N 2.93Å; I101-H104 PolarHBondContact O-N 2.8Å; I101-V105 HydrophobicContact CG2-CG2 4.3Å; I101-V105 VanDerWaalsContact O-CG2 3.32Å; I101-V105 WeakPolarHBondContact O-CG2 3.38Å; I101-V105 PolarHBondContact O-N 3.41Å; I101-W206 HydrophobicContact CG2-CH2 4.02Å
102S56.6Low56.9Low20 Ų2064.4 Ų64.414%0.1434%0.335CS..Hα-helixtrans-62.3-45.6179.859.70000112.1N98 E99 H104 V105 Y106N98-S102 WeakPolarHBondContact O-CB 3.33Å; N98-S102 PolarHBondContact O-N 3.3Å; N98-S102 PolarHBondContact O-OG 3.4Å; E99-S102 WeakPolarHBondContact CA-OG 3.5Å; E99-S102 PolarHBondContact O-N 2.94Å; E99-S102 PolarHBondContact O-OG 3.5Å; S102-H104 VanDerWaalsContact C-N 3.31Å; S102-H104 PolarHBondContact O-N 3.13Å; S102-V105 PolarHBondContact O-N 3.36Å; S102-Y106 WeakPolarHBondContact O-CD2 3.39Å; S102-Y106 PolarHBondContact O-N 3.31Å
103I57.6Low56.9Low76 Ų7659.8 Ų59.839%0.3931%0.312SS..Hα-helixtrans-57.7-45.2174.3-68.7164000110.6E99 I100 Y106 V107E99-I103 HydrophobicContact CB-CD1 4.48Å; E99-I103 VanDerWaalsContact O-CB 3.31Å; E99-I103 WeakPolarHBondContact O-CB 3.35Å; E99-I103 VanDerWaalsContact O-CD1 3.3Å; E99-I103 WeakPolarHBondContact O-CD1 3.2Å; E99-I103 WeakPolarHBondContact O-CG1 3.44Å; E99-I103 PolarHBondContact O-N 3.37Å; I100-I103 PolarHBondContact O-N 2.9Å; I103-Y106 PolarHBondContact O-N 2.96Å; I103-V107 HydrophobicContact CG2-CG2 4.08Å; I103-V107 VanDerWaalsContact O-CB 3.25Å; I103-V107 WeakPolarHBondContact O-CB 3.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.48Å; I103-V107 PolarHBondContact O-N 2.96Å
104H58.4Low56.9Low91 Ų9157.9 Ų57.942%0.42131%0.307SS..Hα-helixtrans-66-39.4179.3-75.572.4000112.1I100 I101 S102 A108I100-H104 VanDerWaalsContact CG2-CE1 3.48Å; I100-H104 WeakPolarHBondContact CG2-CE1 3.47Å; I100-H104 WeakPolarHBondContact O-CB 3Å; I100-H104 PolarHBondContact O-N 3.4Å; I100-H104 PolarHBondContact O-ND1 3.13Å; I101-H104 PolarHBondContact O-N 2.8Å; S102-H104 VanDerWaalsContact C-N 3.31Å; S102-H104 PolarHBondContact O-N 3.13Å; H104-A108 WeakPolarHBondContact O-CA 2.97Å; H104-A108 WeakPolarHBondContact O-CB 3.09Å; H104-A108 PolarHBondContact O-N 2.94Å
105V60.5Low57.2Low38 Ų3851.4 Ų51.423%0.2328%0.279CS..Hα-helixtrans-65.4-43.5175.6173.60000111I101 S102 A108 G109 W206I101-V105 HydrophobicContact CG2-CG2 4.3Å; I101-V105 VanDerWaalsContact O-CG2 3.32Å; I101-V105 WeakPolarHBondContact O-CG2 3.38Å; I101-V105 PolarHBondContact O-N 3.41Å; S102-V105 PolarHBondContact O-N 3.36Å; V105-A108 WeakPolarHBondContact O-CB 3.4Å; V105-A108 PolarHBondContact O-N 3.1Å; V105-G109 PolarHBondContact O-N 3.17Å; V105-W206 HydrophobicContact CG2-CH2 3.62Å; V105-W206 HydrophobicContact CG2-CZ2 3.38Å
106Y59Low57.2Low50 Ų5048.8 Ų48.820%0.19626%0.263CS..Hα-helixtrans-75-37.1-178.4-64.2-52000113Q87 R93 S102 I103 G109 F110Q87-Y106 VanDerWaalsContact CD-CD2 3.4Å; Q87-Y106 VanDerWaalsContact CD-CE2 3.46Å; Q87-Y106 HydrophobicContact CG-CD2 3.88Å; Q87-Y106 HydrophobicContact CG-CE2 4.42Å; R93-Y106 PolarHBondContact NH1-OH 3.33Å; S102-Y106 WeakPolarHBondContact O-CD2 3.39Å; S102-Y106 PolarHBondContact O-N 3.31Å; I103-Y106 PolarHBondContact O-N 2.96Å; Y106-G109 PolarHBondContact O-N 3.35Å; Y106-F110 WeakPolarHBondContact O-CB 3.44Å; Y106-F110 PolarHBondContact O-N 3.23Å
107V59.7Low57.1Low56 Ų5645.3 Ų45.334%0.33924%0.242SC..Hα-helixtrans-69-37.7171.2175.30000109.9I103 G109 F110 L111I103-V107 HydrophobicContact CG2-CG2 4.08Å; I103-V107 VanDerWaalsContact O-CB 3.25Å; I103-V107 WeakPolarHBondContact O-CB 3.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.48Å; I103-V107 PolarHBondContact O-N 2.96Å; V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 3.39Å; V107-F110 PolarHBondContact O-N 2.84Å; V107-L111 HydrophobicContact CG1-CD1 3.77Å; V107-L111 HydrophobicContact CG1-CG 4Å; V107-L111 WeakPolarHBondContact O-CB 2.95Å; V107-L111 WeakPolarHBondContact O-CG 3.17Å; V107-L111 PolarHBondContact O-N 3.43Å
108A60Low57.1Low11 Ų1141.4 Ų41.49%0.09122%0.219CC..Hα-helixtrans-56.8-48.117000000110.8H104 V105 L111 D112 L202H104-A108 WeakPolarHBondContact O-CA 2.97Å; H104-A108 WeakPolarHBondContact O-CB 3.09Å; H104-A108 PolarHBondContact O-N 2.94Å; V105-A108 WeakPolarHBondContact O-CB 3.4Å; V105-A108 PolarHBondContact O-N 3.1Å; A108-L111 PolarHBondContact O-N 3.46Å; A108-D112 WeakPolarHBondContact O-CB 3.18Å; A108-D112 PolarHBondContact O-N 3.27Å; A108-L202 HydrophobicContact CB-CD2 3.34Å; A108-L202 HydrophobicContact CB-CG 4.12Å
109G59.1Low56.9Low20 Ų2038.8 Ų38.821%0.20621%0.205CC..Hα-helixtrans-62.7-44.7177.300000112.3V105 Y106 V107 L111 D112 H113V105-G109 PolarHBondContact O-N 3.17Å; Y106-G109 PolarHBondContact O-N 3.35Å; V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 3.39Å; G109-L111 VanDerWaalsContact C-N 3.34Å; G109-L111 PolarHBondContact O-N 3.07Å; G109-D112 PolarHBondContact O-N 3.11Å; G109-H113 WeakPolarHBondContact O-CA 3.3Å; G109-H113 WeakPolarHBondContact O-CB 3.36Å; G109-H113 PolarHBondContact O-N 3.4Å
110F59.4Low56.6Low60 Ų6036 Ų3626%0.26319%0.193SC..Hα-helixtrans-62.7-40.6176179.4-96.7000112L77 V84 Y106 V107 H113 V114L77-F110 HydrophobicContact CD1-CD2 4.33Å; L77-F110 HydrophobicContact CD1-CE2 3.39Å; L77-F110 HydrophobicContact CD1-CZ 3.68Å; V84-F110 HydrophobicContact CG2-CB 4.14Å; V84-F110 HydrophobicContact CG2-CD2 4.39Å; V84-F110 HydrophobicContact CG2-CG 4.37Å; Y106-F110 WeakPolarHBondContact O-CB 3.44Å; Y106-F110 PolarHBondContact O-N 3.23Å; V107-F110 PolarHBondContact O-N 2.84Å; F110-H113 CarbonylContact O-C 3.59Å; F110-H113 WeakPolarHBondContact O-CB 3.32Å; F110-H113 PolarHBondContact O-N 3.46Å; F110-V114 HydrophobicContact CD1-CG2 4.2Å; F110-V114 HydrophobicContact CE1-CG2 3.82Å; F110-V114 HydrophobicContact CZ-CG2 4.08Å; F110-V114 VanDerWaalsContact O-CG2 3.3Å; F110-V114 WeakPolarHBondContact O-CG2 3.3Å; F110-V114 PolarHBondContact O-N 2.87Å
111L60.4Low55.8Low15 Ų1531.7 Ų31.78%0.07917%0.17CC..Hα-helixtrans-74.1-42.2178.4-69.9178.3000111.2V107 A108 G109 H113 V114 H115 L195 V198 L199V107-L111 HydrophobicContact CG1-CD1 3.77Å; V107-L111 HydrophobicContact CG1-CG 4Å; V107-L111 WeakPolarHBondContact O-CB 2.95Å; V107-L111 WeakPolarHBondContact O-CG 3.17Å; V107-L111 PolarHBondContact O-N 3.43Å; A108-L111 PolarHBondContact O-N 3.46Å; G109-L111 VanDerWaalsContact C-N 3.34Å; G109-L111 PolarHBondContact O-N 3.07Å; L111-H113 PolarHBondContact O-N 2.97Å; L111-V114 PolarHBondContact O-N 2.95Å; L111-V114 VanDerWaalsContact O-N 3.13Å; L111-H115 VanDerWaalsContact O-CB 3.32Å; L111-H115 WeakPolarHBondContact O-CB 3.08Å; L111-H115 PolarHBondContact O-N 3.21Å; L111-L195 HydrophobicContact CD2-CB 4.47Å; L111-L195 HydrophobicContact CD2-CD2 3.67Å; L111-V198 HydrophobicContact CD1-CG1 4.21Å; L111-L199 HydrophobicContact CB-CD1 3.74Å; L111-L199 HydrophobicContact CB-CD2 3.2Å; L111-L199 HydrophobicContact CB-CG 3.47Å; L111-L199 VanDerWaalsContact CB-CG 3.47Å; L111-L199 HydrophobicContact CD1-CD2 4.2Å; L111-L199 HydrophobicContact CD1-CG 4.3Å; L111-L199 HydrophobicContact CG-CD2 4.35Å; L111-L199 HydrophobicContact CG-CG 4.48Å; L111-L199 WeakPolarHBondContact O-CD1 3.28Å
112D59.6Low55.1Low9 Ų928.4 Ų28.45%0.04815%0.153CC..Hα-helixtrans-63-28.8174.4-165.854000109.5A108 G109 H115 S116 S125 R163 L199A108-D112 WeakPolarHBondContact O-CB 3.18Å; A108-D112 PolarHBondContact O-N 3.27Å; G109-D112 PolarHBondContact O-N 3.11Å; D112-H115 WeakPolarHBondContact O-CB 3.14Å; D112-S116 VanDerWaalsContact O-CB 3.3Å; D112-S116 WeakPolarHBondContact O-CB 3.15Å; D112-S116 PolarHBondContact O-N 3.29Å; D112-S116 PolarHBondContact O-OG 2.95Å; D112-S125 WeakPolarHBondContact OD2-CB 3.34Å; D112-R163 IonicContact OD1-CZ 3.14Å; D112-R163 IonicContact OD1-NH1 3.49Å; D112-R163 PolarHBondContact OD1-NH1 3.49Å; D112-R163 IonicContact OD1-NH2 3.67Å; D112-R163 IonicContact OD2-CZ 3.88Å; D112-R163 IonicContact OD2-NH1 3.82Å; D112-R163 PolarHBondContact OD2-NH1 2.97Å; D112-R163 IonicContact OD2-NH2 2.8Å; D112-R163 PolarHBondContact OD2-NH2 3.22Å; D112-L199 HydrophobicContact CB-CD2 4.43Å
113H57.2Low54.3Low6 Ų627.9 Ų27.93%0.02815%0.149CC..Hα-helixtrans-74.4-48.3170.6-179.452.5000112.7E76 L77 Y80 G109 F110 L111 H115 S116 S117E76-H113 VanDerWaalsContact C-NE2 3.27Å; E76-H113 WeakPolarHBondContact CB-CE1 3.36Å; E76-H113 WeakPolarHBondContact CB-NE2 3.36Å; E76-H113 IonicContact OE2-CE1 3.42Å; E76-H113 PolarHBondContact OE2-CE1 3.45Å; E76-H113 IonicContact OE2-ND1 3.79Å; L77-H113 WeakPolarHBondContact CA-NE2 3.19Å; L77-H113 PolarHBondContact N-NE2 2.89Å; Y80-H113 HydrophobicContact CD2-CB 3.38Å; Y80-H113 AromaticContact CD2-CD2 3.7Å; Y80-H113 AromaticContact CD2-CG 3.17Å; Y80-H113 AromaticContact CD2-ND1 3.75Å; Y80-H113 HydrophobicContact CE2-CB 3.57Å; Y80-H113 AromaticContact CE2-CG 3.51Å; Y80-H113 AromaticContact CE2-ND1 3.69Å; Y80-H113 HydrophobicContact CG-CB 3.98Å; G109-H113 WeakPolarHBondContact O-CA 3.3Å; G109-H113 WeakPolarHBondContact O-CB 3.36Å; G109-H113 PolarHBondContact O-N 3.4Å; F110-H113 CarbonylContact O-C 3.59Å; F110-H113 WeakPolarHBondContact O-CB 3.32Å; F110-H113 PolarHBondContact O-N 3.46Å; L111-H113 PolarHBondContact O-N 2.97Å; H113-H115 PolarHBondContact O-N 3.29Å; H113-H115 VanDerWaalsContact O-N 3.14Å; H113-S116 CarbonylContact O-C 3.58Å; H113-S116 PolarHBondContact O-N 3.49Å; H113-S116 VanDerWaalsContact O-N 3.12Å; H113-S117 WeakPolarHBondContact O-CA 3.49Å; H113-S117 WeakPolarHBondContact O-CB 3.15Å; H113-S117 PolarHBondContact O-N 3.35Å; H113-S117 PolarHBondContact O-OG 3.08Å
114V56.2Low53.5Low28 Ų2824.8 Ų24.817%0.1713%0.134CC..Hα-helixtrans-54.3-36171.9168.20000110.2L77 F110 L111 S117 H118 F192 L195L77-V114 HydrophobicContact CD1-CG2 4.32Å; F110-V114 HydrophobicContact CD1-CG2 4.2Å; F110-V114 HydrophobicContact CE1-CG2 3.82Å; F110-V114 HydrophobicContact CZ-CG2 4.08Å; F110-V114 VanDerWaalsContact O-CG2 3.3Å; F110-V114 WeakPolarHBondContact O-CG2 3.3Å; F110-V114 PolarHBondContact O-N 2.87Å; L111-V114 PolarHBondContact O-N 2.95Å; L111-V114 VanDerWaalsContact O-N 3.13Å; V114-S117 VanDerWaalsContact C-OG 3.31Å; V114-S117 VanDerWaalsContact CA-OG 3.3Å; V114-S117 WeakPolarHBondContact CA-OG 3.5Å; V114-S117 PolarHBondContact O-OG 3.25Å; V114-H118 PolarHBondContact O-N 2.89Å; V114-F192 HydrophobicContact CG1-CD2 4.25Å; V114-F192 HydrophobicContact CG1-CE2 4.09Å; V114-L195 HydrophobicContact CG1-CD1 4.47Å
115H54.6Low52.7Low6 Ų620.9 Ų20.93%0.02812%0.117CC..Hα-helixtrans-67.4-53.2172.8174.8114.5000113.6L111 D112 H113 S117 H118 Y119 Y167 I171 L196 L199L111-H115 VanDerWaalsContact O-CB 3.32Å; L111-H115 WeakPolarHBondContact O-CB 3.08Å; L111-H115 PolarHBondContact O-N 3.21Å; D112-H115 WeakPolarHBondContact O-CB 3.14Å; H113-H115 PolarHBondContact O-N 3.29Å; H113-H115 VanDerWaalsContact O-N 3.14Å; H115-S117 PolarHBondContact O-N 3.41Å; H115-H118 PolarHBondContact O-N 3.21Å; H115-Y119 PolarHBondContact O-N 3.06Å; H115-Y167 AromaticContact CE1-CD2 3.6Å; H115-Y167 AromaticContact CE1-CE2 2.94Å; H115-Y167 WeakPolarHBondContact CE1-CE2 3.49Å; H115-Y167 AromaticContact CE1-CZ 3.39Å; H115-Y167 AromaticContact CG-CE2 3.96Å; H115-Y167 AromaticContact ND1-CE2 3.25Å; H115-Y167 VanDerWaalsContact ND1-CE2 3.25Å; H115-Y167 WeakPolarHBondContact ND1-CE2 3.16Å; H115-Y167 AromaticContact ND1-CZ 3.48Å; H115-Y167 PolarHBondContact ND1-OH 2.63Å; H115-Y167 VanDerWaalsContact ND1-OH 3.13Å; H115-Y167 AromaticContact NE2-CD2 3.84Å; H115-Y167 AromaticContact NE2-CE2 3.5Å; H115-Y167 WeakPolarHBondContact NE2-CE2 3.43Å; H115-I171 WeakPolarHBondContact CE1-CG2 3.35Å; H115-I171 WeakPolarHBondContact NE2-CG1 3.35Å; H115-I171 WeakPolarHBondContact NE2-CG2 2.98Å; H115-L196 HydrophobicContact CB-CD2 3.94Å; H115-L196 WeakPolarHBondContact ND1-CD2 3.36Å; H115-L199 HydrophobicContact CB-CD1 3.77Å
116S54.2Low51.7Low4 Ų421.5 Ų21.53%0.02812%0.119CC..Hα-helixtrans-61.9-27.8176.9-58.70000111.3D112 H113 H118 Y119D112-S116 VanDerWaalsContact O-CB 3.3Å; D112-S116 WeakPolarHBondContact O-CB 3.15Å; D112-S116 PolarHBondContact O-N 3.29Å; D112-S116 PolarHBondContact O-OG 2.95Å; H113-S116 CarbonylContact O-C 3.58Å; H113-S116 PolarHBondContact O-N 3.49Å; H113-S116 VanDerWaalsContact O-N 3.12Å; S116-H118 VanDerWaalsContact C-N 3.26Å; S116-H118 PolarHBondContact O-N 2.8Å; S116-Y119 CarbonylContact C-O 3.45Å; S116-Y119 WeakPolarHBondContact CA-O 3.43Å; S116-Y119 CarbonylContact O-C 3.53Å
117S49.6Very low50.7Low22 Ų2221.7 Ų21.715%0.15412%0.123CC..THydrogen-bonded Turntrans-79.5-3.6178.281.70000114.3Y73 H113 V114 H115Y73-S117 WeakPolarHBondContact CD1-O 3.37Å; Y73-S117 WeakPolarHBondContact CD2-O 3.36Å; Y73-S117 WeakPolarHBondContact CE1-O 2.88Å; Y73-S117 WeakPolarHBondContact CE2-O 3.16Å; Y73-S117 VanDerWaalsContact CG-O 3.24Å; H113-S117 WeakPolarHBondContact O-CA 3.49Å; H113-S117 WeakPolarHBondContact O-CB 3.15Å; H113-S117 PolarHBondContact O-N 3.35Å; H113-S117 PolarHBondContact O-OG 3.08Å; V114-S117 VanDerWaalsContact C-OG 3.31Å; V114-S117 VanDerWaalsContact CA-OG 3.3Å; V114-S117 WeakPolarHBondContact CA-OG 3.5Å; V114-S117 PolarHBondContact O-OG 3.25Å; H115-S117 PolarHBondContact O-N 3.41Å
118H51.9Low50.1Low45 Ų4519 Ų1921%0.20811%0.106CC..THydrogen-bonded Turntrans-121.3-27.4174-157.875.1000111.6W60 Y63 V114 H115 S116 F192W60-H118 AromaticContact CH2-NE2 3.68Å; W60-H118 AromaticContact CZ3-NE2 3.71Å; Y63-H118 AromaticContact CE2-CE1 3.93Å; V114-H118 PolarHBondContact O-N 2.89Å; H115-H118 PolarHBondContact O-N 3.21Å; S116-H118 VanDerWaalsContact C-N 3.26Å; S116-H118 PolarHBondContact O-N 2.8Å; H118-F192 HydrophobicContact CB-CE1 4.06Å; H118-F192 HydrophobicContact CB-CE2 3.66Å; H118-F192 HydrophobicContact CB-CZ 3.31Å; H118-F192 AromaticContact CD2-CD1 3.98Å; H118-F192 AromaticContact CD2-CE1 3.29Å; H118-F192 WeakPolarHBondContact CD2-CE1 3.31Å; H118-F192 AromaticContact CD2-CZ 3.54Å; H118-F192 AromaticContact CG-CE1 3.8Å; H118-F192 AromaticContact CG-CE2 3.99Å; H118-F192 AromaticContact CG-CZ 3.56Å
119Y49.6Very low49.6Very low2 Ų220.2 Ų20.21%0.00811%0.113CC..SBendtrans-120.2123.9174.1-60.9-72.2000110.4W60 H115 S116 N121 I171 T175 F192 L196W60-Y119 AromaticContact CE2-CE1 3.83Å; W60-Y119 AromaticContact CH2-CE1 3.68Å; W60-Y119 HydrophobicContact CH2-CE1 3.68Å; W60-Y119 AromaticContact CH2-CZ 3.74Å; W60-Y119 WeakPolarHBondContact CH2-OH 3.31Å; W60-Y119 HydrophobicContact CZ2-CD1 4.39Å; W60-Y119 AromaticContact CZ2-CE1 3.18Å; W60-Y119 HydrophobicContact CZ2-CE1 3.18Å; W60-Y119 AromaticContact CZ2-CZ 3.56Å; W60-Y119 WeakPolarHBondContact CZ2-OH 3.34Å; H115-Y119 PolarHBondContact O-N 3.06Å; S116-Y119 CarbonylContact C-O 3.45Å; S116-Y119 WeakPolarHBondContact CA-O 3.43Å; S116-Y119 CarbonylContact O-C 3.53Å; Y119-N121 PolarHBondContact O-N 3.21Å; Y119-I171 HydrophobicContact CD2-CG2 3.71Å; Y119-I171 HydrophobicContact CE2-CG2 4.09Å; Y119-I171 HydrophobicContact CG-CG2 4.07Å; Y119-T175 HydrophobicContact CD2-CG2 4.25Å; Y119-T175 HydrophobicContact CE1-CG2 3.95Å; Y119-T175 HydrophobicContact CE2-CG2 3.25Å; Y119-T175 VanDerWaalsContact OH-CB 3.24Å; Y119-T175 WeakPolarHBondContact OH-CB 3.46Å; Y119-T175 WeakPolarHBondContact OH-CG2 3.33Å; Y119-F192 HydrophobicContact CD2-CE1 4.27Å; Y119-F192 AromaticContact CD2-CZ 3.99Å; Y119-F192 HydrophobicContact CD2-CZ 3.99Å; Y119-F192 AromaticContact CE2-CE1 3.27Å; Y119-F192 HydrophobicContact CE2-CE1 3.27Å; Y119-F192 AromaticContact CE2-CZ 3.42Å; Y119-F192 HydrophobicContact CE2-CZ 3.42Å; Y119-F192 VanDerWaalsContact CE2-CZ 3.42Å; Y119-F192 AromaticContact CZ-CE1 3.78Å; Y119-L196 HydrophobicContact CE2-CD1 4.13Å
120N45.8Very low49.1Very low13 Ų1322.4 Ų22.47%0.0712%0.12CC..  trans-6331.5-177-64-55.8000116.1W52 C59 Y73 H122W52-N120 HydrophobicContact CG-CB 4.06Å; C59-N120 PolarHBondContact SG-ND2 2.95Å; Y73-N120 PolarHBondContact OH-OD1 3.2Å; N120-H122 PolarHBondContact O-N 3.44Å
121N43.2Very low48.5Very low13 Ų1320 Ų207%0.0711%0.11CC..  trans-100.257.4-177.4-67.5-41.4000111.6F53 Y119 V123 I171F53-N121 WeakPolarHBondContact CD2-OD1 3.04Å; F53-N121 HydrophobicContact CE2-CB 4.42Å; F53-N121 PolarHBondContact O-OD1 3.07Å; Y119-N121 PolarHBondContact O-N 3.21Å; N121-V123 PolarHBondContact O-N 2.94Å; N121-I171 HydrophobicContact CB-CD1 4Å; N121-I171 WeakPolarHBondContact ND2-CD1 3.25Å
122H44.5Very low47.9Very low11 Ų1120.1 Ų20.15%0.05111%0.114CC..THydrogen-bonded Turntrans-63.2-16.3175.2-74.2-87.3000114.6F47 E76 N120 V124 L126F47-H122 HydrophobicContact CD1-CB 3.92Å; F47-H122 AromaticContact CD1-CD2 3.94Å; F47-H122 HydrophobicContact CD2-CB 4.15Å; F47-H122 HydrophobicContact CE1-CB 4.1Å; F47-H122 AromaticContact CE1-CD2 3.45Å; F47-H122 VanDerWaalsContact CE1-CD2 3.45Å; F47-H122 WeakPolarHBondContact CE1-CD2 3.46Å; F47-H122 AromaticContact CE1-CG 3.85Å; F47-H122 HydrophobicContact CE2-CB 4.36Å; F47-H122 HydrophobicContact CG-CB 3.96Å; F47-H122 HydrophobicContact CZ-CB 4.33Å; F47-H122 AromaticContact CZ-CD2 3.92Å; E76-H122 IonicContact OE1-CE1 3.18Å; E76-H122 PolarHBondContact OE1-CE1 3.48Å; E76-H122 IonicContact OE1-ND1 3.75Å; E76-H122 IonicContact OE2-CE1 3.49Å; E76-H122 PolarHBondContact OE2-CE1 2.71Å; N120-H122 PolarHBondContact O-N 3.44Å; H122-V124 VanDerWaalsContact C-N 3.27Å; H122-V124 PolarHBondContact O-N 3.24Å; H122-L126 PolarHBondContact O-N 2.75Å
123V40Very low47.5Very low10 Ų1021.8 Ų21.86%0.06112%0.121CC..Hα-helixtrans-67.7-28.9-171.31720000112.6F47 L48 F53 N121 L127F47-V123 HydrophobicContact CB-CG2 3.96Å; L48-V123 HydrophobicContact CB-CG2 4.43Å; L48-V123 HydrophobicContact CD1-CG1 4.3Å; L48-V123 HydrophobicContact CD2-CB 4.22Å; L48-V123 HydrophobicContact CD2-CG1 3.42Å; L48-V123 VanDerWaalsContact CD2-CG1 3.42Å; L48-V123 HydrophobicContact CD2-CG2 3.81Å; L48-V123 HydrophobicContact CG-CB 4.39Å; L48-V123 HydrophobicContact CG-CG1 3.72Å; L48-V123 HydrophobicContact CG-CG2 3.71Å; F53-V123 HydrophobicContact CD1-CG2 4.3Å; F53-V123 HydrophobicContact CD2-CB 4.08Å; F53-V123 HydrophobicContact CD2-CG2 3.46Å; F53-V123 VanDerWaalsContact CD2-CG2 3.46Å; F53-V123 HydrophobicContact CE1-CB 4.36Å; F53-V123 HydrophobicContact CE1-CG1 4.42Å; F53-V123 HydrophobicContact CE1-CG2 4.04Å; F53-V123 HydrophobicContact CE2-CB 3.25Å; F53-V123 HydrophobicContact CE2-CG1 4.09Å; F53-V123 HydrophobicContact CE2-CG2 3.15Å; F53-V123 HydrophobicContact CG-CG2 4.05Å; F53-V123 HydrophobicContact CZ-CB 3.4Å; F53-V123 VanDerWaalsContact CZ-CB 3.4Å; F53-V123 HydrophobicContact CZ-CG1 3.69Å; F53-V123 HydrophobicContact CZ-CG2 3.45Å; F53-V123 VanDerWaalsContact CZ-CG2 3.45Å; N121-V123 PolarHBondContact O-N 2.94Å; V123-L127 HydrophobicContact CG1-CD1 3.7Å; V123-L127 WeakPolarHBondContact O-CB 3.48Å; V123-L127 WeakPolarHBondContact O-CD1 3.29Å; V123-L127 WeakPolarHBondContact O-CG 3.5Å
124V40.7Very low47.1Very low10 Ų1024.3 Ų24.36%0.06113%0.132CC..Hα-helixtrans-89.5-28.8-171.8164.60000112.5H122 V128 T162 I166H122-V124 VanDerWaalsContact C-N 3.27Å; H122-V124 PolarHBondContact O-N 3.24Å; V124-V128 VanDerWaalsContact O-CB 3.32Å; V124-V128 WeakPolarHBondContact O-CB 2.89Å; V124-V128 WeakPolarHBondContact O-CG2 3.32Å; V124-T162 HydrophobicContact CB-CG2 4.48Å; V124-T162 HydrophobicContact CG1-CG2 4.24Å; V124-T162 HydrophobicContact CG2-CG2 3.86Å; V124-I166 HydrophobicContact CG2-CD1 4.24Å; V124-I166 HydrophobicContact CG2-CG2 4.27Å
125S42.1Very low46.8Very low9 Ų924.3 Ų24.36%0.06314%0.136CC..Hα-helixtrans-76.4-52.2174.860.40000111.1D112 L127 V128 T129D112-S125 WeakPolarHBondContact OD2-CB 3.34Å; S125-L127 PolarHBondContact O-N 3.05Å; S125-V128 PolarHBondContact O-N 3.05Å; S125-V128 VanDerWaalsContact O-N 3.16Å; S125-T129 PolarHBondContact O-N 3.4Å; S125-T129 PolarHBondContact O-OG1 3.09Å
126L38.6Very low46.4Very low52 Ų5224.4 Ų24.427%0.27214%0.137SC..Iπ-helixtrans-65.2-44.3-172.7-133.9100.4000113.5A40 F43 H122 V128A40-L126 HydrophobicContact CB-CD2 3.99Å; F43-L126 HydrophobicContact CB-CD2 4.48Å; H122-L126 PolarHBondContact O-N 2.75Å; L126-V128 PolarHBondContact O-N 3.31Å
127L38.4Very low46.2Very low53 Ų5327.5 Ų27.528%0.27715%0.15SC..Iπ-helixtrans-65.5-20.6179.7-73175.9000113.1L41 V123 S125L41-L127 HydrophobicContact CD2-CD2 4.29Å; V123-L127 HydrophobicContact CG1-CD1 3.7Å; V123-L127 WeakPolarHBondContact O-CB 3.48Å; V123-L127 WeakPolarHBondContact O-CD1 3.29Å; V123-L127 WeakPolarHBondContact O-CG 3.5Å; S125-L127 PolarHBondContact O-N 3.05Å
128V46.6Very low46.3Very low0 Ų030.6 Ų30.60%016%0.163CC..Iπ-helixtrans-127.2-15.5-163-159.40000113.9V124 S125 L126 F155 V158 W159 T162V124-V128 VanDerWaalsContact O-CB 3.32Å; V124-V128 WeakPolarHBondContact O-CB 2.89Å; V124-V128 WeakPolarHBondContact O-CG2 3.32Å; S125-V128 PolarHBondContact O-N 3.05Å; S125-V128 VanDerWaalsContact O-N 3.16Å; L126-V128 PolarHBondContact O-N 3.31Å; V128-F155 HydrophobicContact CG1-CE2 4.08Å; V128-F155 HydrophobicContact CG1-CZ 4.46Å; V128-F155 WeakPolarHBondContact O-CE2 3.19Å; V128-F155 WeakPolarHBondContact O-CZ 3.41Å; V128-V158 HydrophobicContact CG2-CG1 3.58Å; V128-W159 HydrophobicContact CB-CE3 4.48Å; V128-W159 VanDerWaalsContact CG1-CA 3.46Å; V128-W159 HydrophobicContact CG1-CB 3.66Å; V128-W159 HydrophobicContact CG1-CD2 4.09Å; V128-W159 HydrophobicContact CG1-CE3 3.46Å; V128-W159 VanDerWaalsContact CG1-CE3 3.46Å; V128-W159 HydrophobicContact CG1-CG 4.24Å; V128-W159 HydrophobicContact CG1-CZ3 4.36Å; V128-T162 HydrophobicContact CG2-CG2 4.23Å
129T50.2Low46Very low37 Ų3729.1 Ų29.123%0.22716%0.158CC..Iπ-helixtrans-102-31.1172.455.90000113.2S125 E133 W159S125-T129 PolarHBondContact O-N 3.4Å; S125-T129 PolarHBondContact O-OG1 3.09Å; T129-E133 VanDerWaalsContact O-CG 3.24Å; T129-E133 WeakPolarHBondContact O-CG 3.29Å; T129-W159 HydrophobicContact CG2-CZ3 4.1Å
130D47.9Very low45.9Very low65 Ų6534.7 Ų34.735%0.34818%0.179SC..Iπ-helixtrans-112.9-37.9-173-7526000113.3K134D130-K134 WeakPolarHBondContact O-CG 3.49Å; D130-K134 PolarHBondContact O-N 3.14Å
131D48Very low46.2Very low11 Ų1140.6 Ų40.66%0.05920%0.201CC..Hα-helixtrans-73.2-43.1-174.3-74-21.6000113A40 E133 K134 A135A40-D131 WeakPolarHBondContact CB-OD1 3.4Å; D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 2.81Å; D131-K134 PolarHBondContact O-N 2.99Å; D131-A135 VanDerWaalsContact O-CB 3.28Å; D131-A135 WeakPolarHBondContact O-CB 3.29Å; D131-A135 PolarHBondContact O-N 2.91Å
132G47.8Very low46.5Very low16 Ų1643.8 Ų43.817%0.16522%0.224CC..Hα-helixtrans-67.7-31176.200000113.1S136G132-S136 WeakPolarHBondContact O-CB 3.48Å; G132-S136 PolarHBondContact O-N 3.45Å; G132-S136 PolarHBondContact O-OG 3.38Å
133E51.3Low46.8Very low44 Ų4454.3 Ų54.321%0.20626%0.263CS..Hα-helixtrans-72.6-36.8178.3-72.2-156.8166.900113.4F13 W14 T129 D131 S136 K137F13-E133 HydrophobicContact CE1-CG 4.33Å; F13-E133 WeakPolarHBondContact CZ-OE1 3.32Å; W14-E133 HydrophobicContact CH2-CB 3.48Å; W14-E133 VanDerWaalsContact CH2-CB 3.48Å; W14-E133 HydrophobicContact CH2-CG 3.64Å; W14-E133 WeakPolarHBondContact CH2-O 3.46Å; W14-E133 HydrophobicContact CZ2-CB 4.35Å; W14-E133 HydrophobicContact CZ2-CG 4.32Å; W14-E133 HydrophobicContact CZ3-CB 4.27Å; W14-E133 WeakPolarHBondContact CZ3-O 3.35Å; T129-E133 VanDerWaalsContact O-CG 3.24Å; T129-E133 WeakPolarHBondContact O-CG 3.29Å; D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 2.81Å; E133-S136 PolarHBondContact O-OG 2.9Å; E133-K137 WeakPolarHBondContact O-CG 3.32Å; E133-K137 PolarHBondContact O-N 3.21Å
134K48.5Very low47.5Very low59 Ų5959.1 Ų59.126%0.25729%0.285SS..Hα-helixtrans-76.1-39.5176.9-67.9171.9-173.2172.90111.5P32 I37 D130 D131 S136 K137 M138P32-K134 HydrophobicContact CB-CD 3.91Å; P32-K134 HydrophobicContact CB-CG 4Å; P32-K134 HydrophobicContact CG-CG 4.12Å; I37-K134 HydrophobicContact CD1-CB 4.22Å; I37-K134 HydrophobicContact CG1-CB 4.14Å; D130-K134 WeakPolarHBondContact O-CG 3.49Å; D130-K134 PolarHBondContact O-N 3.14Å; D131-K134 PolarHBondContact O-N 2.99Å; K134-S136 PolarHBondContact O-N 3.24Å; K134-K137 PolarHBondContact O-N 3.44Å; K134-M138 WeakPolarHBondContact O-CB 3.21Å; K134-M138 PolarHBondContact O-N 3.07Å; K134-M138 VanDerWaalsContact O-N 3.07Å
135A48.9Very low48.4Very low29 Ų2963 Ų6324%0.2431%0.305CS..Hα-helixtrans-66.7-34.4-179.800000113.4I37 D131 S139I37-A135 HydrophobicContact CD1-CB 4.49Å; D131-A135 VanDerWaalsContact O-CB 3.28Å; D131-A135 WeakPolarHBondContact O-CB 3.29Å; D131-A135 PolarHBondContact O-N 2.91Å; A135-S139 PolarHBondContact O-N 3.24Å; A135-S139 VanDerWaalsContact O-N 3.14Å
136S47.3Very low49.4Very low8 Ų866.1 Ų66.16%0.05633%0.331CS..Hα-helixtrans-77.3-36.2176.358.20000113.4W14 G132 E133 K134 M138 S139 R140W14-S136 VanDerWaalsContact CE2-CB 3.43Å; W14-S136 WeakPolarHBondContact CH2-OG 3.44Å; W14-S136 WeakPolarHBondContact CZ2-OG 3.36Å; G132-S136 WeakPolarHBondContact O-CB 3.48Å; G132-S136 PolarHBondContact O-N 3.45Å; G132-S136 PolarHBondContact O-OG 3.38Å; E133-S136 PolarHBondContact O-OG 2.9Å; K134-S136 PolarHBondContact O-N 3.24Å; S136-M138 PolarHBondContact O-N 3.48Å; S136-S139 PolarHBondContact O-N 3.19Å; S136-S139 PolarHBondContact O-OG 2.86Å; S136-R140 PolarHBondContact O-N 3.46Å
137K48.9Very low50.5Low69 Ų6968.3 Ų68.330%0.334%0.343SS..Hα-helixtrans-58.5-41.9168.4-81.8172.4168.7156.50110W14 E133 K134 S139 R140 Y141W14-K137 HydrophobicContact CE3-CD 4.18Å; W14-K137 HydrophobicContact CE3-CG 3.5Å; W14-K137 HydrophobicContact CZ3-CD 3.8Å; W14-K137 HydrophobicContact CZ3-CG 3.52Å; E133-K137 WeakPolarHBondContact O-CG 3.32Å; E133-K137 PolarHBondContact O-N 3.21Å; K134-K137 PolarHBondContact O-N 3.44Å; K137-S139 PolarHBondContact O-N 2.96Å; K137-R140 PolarHBondContact O-N 3.34Å; K137-Y141 WeakPolarHBondContact O-CD2 3.35Å
138M51.4Low51.7Low87 Ų8766.1 Ų66.143%0.42933%0.331SS..Hα-helixtrans-64.3-35.8177-165.364.7-177.600113.1K134 S136 R140 Y141K134-M138 WeakPolarHBondContact O-CB 3.21Å; K134-M138 PolarHBondContact O-N 3.07Å; K134-M138 VanDerWaalsContact O-N 3.07Å; S136-M138 PolarHBondContact O-N 3.48Å; M138-R140 VanDerWaalsContact C-N 3.32Å; M138-R140 PolarHBondContact O-N 3.37Å; M138-Y141 PolarHBondContact O-N 3.48Å
139S47.7Very low52.7Low14 Ų1467.4 Ų67.410%0.09834%0.338CS..Hα-helixtrans-70.1-25.2-177.676.60000113.6A135 S136 K137 Y141 C142 C148A135-S139 PolarHBondContact O-N 3.24Å; A135-S139 VanDerWaalsContact O-N 3.14Å; S136-S139 PolarHBondContact O-N 3.19Å; S136-S139 PolarHBondContact O-OG 2.86Å; K137-S139 PolarHBondContact O-N 2.96Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Y141 PolarHBondContact O-N 2.74Å; S139-C142 PolarHBondContact O-N 3.45Å; S139-C148 WeakPolarHBondContact OG-CB 3.46Å; S139-C148 PolarHBondContact OG-SG 3.38Å
140R46.9Very low53.7Low118 Ų11869.5 Ų69.545%0.44535%0.351SS..Hα-helixtrans-64.2-34.7172-79.4-170.468.7-169.2-9.3112.2W14 E16 S136 K137 M138 C142W14-R140 PolarHBondContact O-NH1 3.43Å; E16-R140 IonicContact OE1-NH1 3.06Å; S136-R140 PolarHBondContact O-N 3.46Å; K137-R140 PolarHBondContact O-N 3.34Å; M138-R140 VanDerWaalsContact C-N 3.32Å; M138-R140 PolarHBondContact O-N 3.37Å; R140-C142 VanDerWaalsContact C-N 3.29Å; R140-C142 PolarHBondContact O-N 2.8Å
141Y51.1Low54.8Low138 Ų13870.5 Ų70.554%0.54136%0.356SS..Hα-helixtrans-68.1-29.5177.2-70.5-79.3000112.4K137 M138 S139 R143K137-Y141 WeakPolarHBondContact O-CD2 3.35Å; M138-Y141 PolarHBondContact O-N 3.48Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Y141 PolarHBondContact O-N 2.74Å; Y141-R143 PolarHBondContact O-N 3.34Å
142C49.1Very low55.7Low80 Ų8070.5 Ų70.554%0.54136%0.356SS..THydrogen-bonded Turntrans-85.8-1.5-175.5-690000115.3S139 R140 Q144S139-C142 PolarHBondContact O-N 3.45Å; R140-C142 VanDerWaalsContact C-N 3.29Å; R140-C142 PolarHBondContact O-N 2.8Å; C142-Q144 WeakPolarHBondContact O-CG 3.41Å; C142-Q144 PolarHBondContact O-N 3.36Å
143R52Low57Low232 Ų23271.9 Ų71.988%0.87536%0.363SS*.THydrogen-bonded Turntrans50.717-177.3-71.4-171.5169.2-170.7-2115.5Y141 N145Y141-R143 PolarHBondContact O-N 3.34Å; R143-N145 PolarHBondContact O-N 2.78Å
144Q54.1Low58.2Low111 Ų11174.2 Ų74.252%0.51938%0.376SS..  trans-99.884.7178.9-68.2-151.9-8.500111.1C142 A146 L147 C148C142-Q144 WeakPolarHBondContact O-CG 3.41Å; C142-Q144 PolarHBondContact O-N 3.36Å; Q144-A146 PolarHBondContact O-N 3.49Å; Q144-A146 VanDerWaalsContact O-N 3.16Å; Q144-L147 HydrophobicContact CB-CB 4.43Å; Q144-L147 HydrophobicContact CB-CD1 4.42Å; Q144-L147 HydrophobicContact CB-CG 4.42Å; Q144-L147 PolarHBondContact O-N 2.88Å; Q144-C148 PolarHBondContact O-N 3.33Å
145N59.2Low59.5Low91 Ų9172.6 Ų72.649%0.48737%0.369SS..Hα-helixtrans-55.7-33.1-179.3-66.9-17.9000113R143 N149R143-N145 PolarHBondContact O-N 2.78Å; N145-N149 WeakPolarHBondContact O-CB 3.49Å; N145-N149 PolarHBondContact O-N 3.25Å; N145-N149 PolarHBondContact O-ND2 3.03Å; N145-N149 PolarHBondContact O-OD1 3.4Å
146A63.5Low60.9Low74 Ų7473 Ų7361%0.61237%0.365SS*.Hα-helixtrans-64.9-51.4179.600000112.7Q144 C148 N149 T150Q144-A146 PolarHBondContact O-N 3.49Å; Q144-A146 VanDerWaalsContact O-N 3.16Å; A146-C148 VanDerWaalsContact C-N 3.3Å; A146-C148 PolarHBondContact O-N 3.42Å; A146-N149 PolarHBondContact O-N 3.16Å; A146-T150 PolarHBondContact O-N 3Å; A146-T150 VanDerWaalsContact O-N 3.11Å; A146-T150 PolarHBondContact O-OG1 3.18Å
147L61.9Low62.5Low99 Ų9976.8 Ų76.852%0.51839%0.388SS..Hα-helixtrans-62.1-39.6178.1-68.4-175.5000111.5Q144 N149 T150 L151Q144-L147 HydrophobicContact CB-CB 4.43Å; Q144-L147 HydrophobicContact CB-CD1 4.42Å; Q144-L147 HydrophobicContact CB-CG 4.42Å; Q144-L147 PolarHBondContact O-N 2.88Å; L147-N149 PolarHBondContact O-N 2.95Å; L147-T150 PolarHBondContact O-N 2.96Å; L147-L151 WeakPolarHBondContact O-CB 3.33Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 2.94Å
148C63.3Low64Low6 Ų676 Ų764%0.04139%0.388CS..Hα-helixtrans-60.5-46.2176.7-176.70000112.2R10 S139 Q144 A146 T150 L151 F152R10-C148 WeakPolarHBondContact CD-SG 3.33Å; S139-C148 WeakPolarHBondContact OG-CB 3.46Å; S139-C148 PolarHBondContact OG-SG 3.38Å; Q144-C148 PolarHBondContact O-N 3.33Å; A146-C148 VanDerWaalsContact C-N 3.3Å; A146-C148 PolarHBondContact O-N 3.42Å; C148-T150 VanDerWaalsContact C-N 3.32Å; C148-T150 PolarHBondContact O-N 2.92Å; C148-L151 PolarHBondContact O-N 3.4Å; C148-F152 WeakPolarHBondContact O-CB 3.4Å; C148-F152 PolarHBondContact O-N 3.36Å
149N68.3Low65.4Low27 Ų2773.1 Ų73.114%0.14437%0.373CS..Hα-helixtrans-63.3-40.5-179.9-70.9-12000111.1F6 N145 A146 L147 S153F6-N149 HydrophobicContact CB-CB 4.12Å; F6-N149 VanDerWaalsContact CB-OD1 3.3Å; F6-N149 WeakPolarHBondContact CB-OD1 3.39Å; F6-N149 HydrophobicContact CG-CB 4.23Å; N145-N149 WeakPolarHBondContact O-CB 3.49Å; N145-N149 PolarHBondContact O-N 3.25Å; N145-N149 PolarHBondContact O-ND2 3.03Å; N145-N149 PolarHBondContact O-OD1 3.4Å; A146-N149 PolarHBondContact O-N 3.16Å; L147-N149 PolarHBondContact O-N 2.95Å; N149-S153 WeakPolarHBondContact O-CB 3.4Å; N149-S153 PolarHBondContact O-N 3.46Å
150T71.4Confident67Low82 Ų8274.6 Ų74.650%0.50338%0.381SS..Hα-helixtrans-64.5-48.9175.9-56.70000112A146 L147 C148 F152 S153 I154A146-T150 PolarHBondContact O-N 3Å; A146-T150 VanDerWaalsContact O-N 3.11Å; A146-T150 PolarHBondContact O-OG1 3.18Å; L147-T150 PolarHBondContact O-N 2.96Å; C148-T150 VanDerWaalsContact C-N 3.32Å; C148-T150 PolarHBondContact O-N 2.92Å; T150-F152 VanDerWaalsContact C-N 3.31Å; T150-F152 PolarHBondContact O-N 2.94Å; T150-S153 PolarHBondContact O-N 3.18Å; T150-I154 HydrophobicContact CG2-CD1 3.95Å; T150-I154 WeakPolarHBondContact O-CG1 3.46Å; T150-I154 PolarHBondContact O-N 3.4Å
151L70.6Confident68.7Low86 Ų8671.5 Ų71.545%0.4538%0.381SS..Hα-helixtrans-60.8-41.4179.1-72.7175.3000111.8L147 C148 I154 F155L147-L151 WeakPolarHBondContact O-CB 3.33Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 2.94Å; C148-L151 PolarHBondContact O-N 3.4Å; L151-I154 PolarHBondContact O-N 3.27Å; L151-F155 WeakPolarHBondContact O-CB 3.48Å; L151-F155 PolarHBondContact O-N 3.02Å
152F67.3Low70Confident10 Ų1065.6 Ų65.64%0.04436%0.36CS..Hα-helixtrans-67.9-38.7177.2-170-84.6000112.1F5 F6 F9 C148 T150 I154 F155 F156F5-F152 HydrophobicContact CZ-CE1 4.47Å; F6-F152 HydrophobicContact CD1-CB 4.01Å; F6-F152 AromaticContact CD1-CD1 3.35Å; F6-F152 HydrophobicContact CD1-CD1 3.35Å; F6-F152 HydrophobicContact CD1-CE1 4.24Å; F6-F152 HydrophobicContact CD1-CG 4.07Å; F6-F152 HydrophobicContact CE1-CB 4.43Å; F6-F152 AromaticContact CE1-CD1 3.53Å; F6-F152 HydrophobicContact CE1-CD1 3.53Å; F6-F152 HydrophobicContact CE1-CE1 4.29Å; F6-F152 HydrophobicContact CE1-CG 4.45Å; F9-F152 HydrophobicContact CD1-CD2 4.48Å; F9-F152 AromaticContact CD1-CE1 3.56Å; F9-F152 HydrophobicContact CD1-CE1 3.56Å; F9-F152 AromaticContact CD1-CE2 3.53Å; F9-F152 HydrophobicContact CD1-CE2 3.53Å; F9-F152 AromaticContact CD1-CZ 3.01Å; F9-F152 HydrophobicContact CD1-CZ 3.01Å; F9-F152 AromaticContact CE1-CE1 3.93Å; F9-F152 HydrophobicContact CE1-CE1 3.93Å; F9-F152 AromaticContact CE1-CE2 3.35Å; F9-F152 HydrophobicContact CE1-CE2 3.35Å; F9-F152 AromaticContact CE1-CZ 2.95Å; F9-F152 HydrophobicContact CE1-CZ 2.95Å; F9-F152 HydrophobicContact CG-CE1 4.22Å; F9-F152 HydrophobicContact CG-CZ 4.01Å; F9-F152 HydrophobicContact CZ-CE2 4.47Å; F9-F152 AromaticContact CZ-CZ 3.85Å; F9-F152 HydrophobicContact CZ-CZ 3.85Å; C148-F152 WeakPolarHBondContact O-CB 3.4Å; C148-F152 PolarHBondContact O-N 3.36Å; T150-F152 VanDerWaalsContact C-N 3.31Å; T150-F152 PolarHBondContact O-N 2.94Å; F152-I154 VanDerWaalsContact C-N 3.34Å; F152-I154 PolarHBondContact O-N 3.19Å; F152-F155 HydrophobicContact CD2-CD1 4.48Å; F152-F155 HydrophobicContact CE2-CD1 4.12Å; F152-F155 HydrophobicContact CZ-CD1 4.5Å; F152-F155 WeakPolarHBondContact O-CB 3.49Å; F152-F155 PolarHBondContact O-N 2.93Å; F152-F156 HydrophobicContact CE1-CB 4.33Å; F152-F156 PolarHBondContact O-N 3.14Å
153S74.7Confident71.5Confident45 Ų4562 Ų6232%0.31533%0.334SS..Hα-helixtrans-61.1-43.7174.5-1710000111.9F6 N149 T150 F156 V157F6-S153 VanDerWaalsContact CE1-CA 3.43Å; F6-S153 VanDerWaalsContact CZ-CB 3.47Å; N149-S153 WeakPolarHBondContact O-CB 3.4Å; N149-S153 PolarHBondContact O-N 3.46Å; T150-S153 PolarHBondContact O-N 3.18Å; S153-F156 PolarHBondContact O-N 2.89Å; S153-V157 WeakPolarHBondContact O-CG2 3.05Å; S153-V157 PolarHBondContact O-N 3.48Å; S153-V157 VanDerWaalsContact O-N 3.08Å
154I77.3Confident72.9Confident93 Ų9353.6 Ų53.648%0.47731%0.307SS..Hα-helixtrans-62.4-47.8176-67.5166.1000109.4T150 L151 F152 F156 V157 V158T150-I154 HydrophobicContact CG2-CD1 3.95Å; T150-I154 WeakPolarHBondContact O-CG1 3.46Å; T150-I154 PolarHBondContact O-N 3.4Å; L151-I154 PolarHBondContact O-N 3.27Å; F152-I154 VanDerWaalsContact C-N 3.34Å; F152-I154 PolarHBondContact O-N 3.19Å; I154-F156 PolarHBondContact O-N 3.21Å; I154-V157 PolarHBondContact O-N 3.32Å; I154-V158 HydrophobicContact CG2-CG2 4.2Å; I154-V158 WeakPolarHBondContact O-CB 3.32Å; I154-V158 VanDerWaalsContact O-CG2 3.24Å; I154-V158 WeakPolarHBondContact O-CG2 2.69Å; I154-V158 PolarHBondContact O-N 2.96Å
155F74.3Confident74.2Confident26 Ų2649.4 Ų49.411%0.11429%0.293CS..Hα-helixtrans-55-47.6177.3176.1-102.2000112.7V128 L151 F152 V158 W159V128-F155 HydrophobicContact CG1-CE2 4.08Å; V128-F155 HydrophobicContact CG1-CZ 4.46Å; V128-F155 WeakPolarHBondContact O-CE2 3.19Å; V128-F155 WeakPolarHBondContact O-CZ 3.41Å; L151-F155 WeakPolarHBondContact O-CB 3.48Å; L151-F155 PolarHBondContact O-N 3.02Å; F152-F155 HydrophobicContact CD2-CD1 4.48Å; F152-F155 HydrophobicContact CE2-CD1 4.12Å; F152-F155 HydrophobicContact CZ-CD1 4.5Å; F152-F155 WeakPolarHBondContact O-CB 3.49Å; F152-F155 PolarHBondContact O-N 2.93Å; F155-V158 PolarHBondContact O-N 3.38Å; F155-W159 HydrophobicContact CZ-CE3 4.25Å; F155-W159 WeakPolarHBondContact O-CB 3.37Å; F155-W159 PolarHBondContact O-N 2.83Å
156F78.3Confident75.3Confident36 Ų3648 Ų4816%0.15829%0.285CS..Hα-helixtrans-63.6-43.3178.9176.3-113000112.6F152 S153 I154 V158 W159 V160 I210F152-F156 HydrophobicContact CE1-CB 4.33Å; F152-F156 PolarHBondContact O-N 3.14Å; S153-F156 PolarHBondContact O-N 2.89Å; I154-F156 PolarHBondContact O-N 3.21Å; F156-V158 VanDerWaalsContact C-N 3.34Å; F156-V158 PolarHBondContact O-N 3.24Å; F156-W159 WeakPolarHBondContact O-CB 3.24Å; F156-W159 PolarHBondContact O-N 3.49Å; F156-V160 HydrophobicContact CD2-CG2 4.16Å; F156-V160 HydrophobicContact CE1-CG2 4.17Å; F156-V160 HydrophobicContact CE2-CG2 3.65Å; F156-V160 HydrophobicContact CZ-CG2 3.67Å; F156-V160 WeakPolarHBondContact O-CG2 3.3Å; F156-V160 PolarHBondContact O-N 3.49Å; F156-I210 HydrophobicContact CD2-CB 4.41Å; F156-I210 HydrophobicContact CD2-CG2 3.43Å; F156-I210 VanDerWaalsContact CD2-CG2 3.43Å; F156-I210 HydrophobicContact CE2-CB 3.94Å; F156-I210 HydrophobicContact CE2-CG2 3.26Å; F156-I210 HydrophobicContact CG-CG2 4.49Å; F156-I210 HydrophobicContact CZ-CG2 4.22Å
157V82Confident76Confident89 Ų8944.7 Ų44.754%0.53926%0.257SS..Hα-helixtrans-62.8-43.8176.9170.80000110.7S153 I154 V160 A161S153-V157 WeakPolarHBondContact O-CG2 3.05Å; S153-V157 PolarHBondContact O-N 3.48Å; S153-V157 VanDerWaalsContact O-N 3.08Å; I154-V157 PolarHBondContact O-N 3.32Å; V157-V160 PolarHBondContact O-N 2.88Å; V157-A161 VanDerWaalsContact O-CB 3.32Å; V157-A161 WeakPolarHBondContact O-CB 3.32Å; V157-A161 PolarHBondContact O-N 3.42Å
158V80Confident77Confident51 Ų5141.5 Ų41.531%0.30924%0.242SC..Hα-helixtrans-63.5-42.4176.4174.90000110.5V128 I154 F155 F156 A161 T162V128-V158 HydrophobicContact CG2-CG1 3.58Å; I154-V158 HydrophobicContact CG2-CG2 4.2Å; I154-V158 WeakPolarHBondContact O-CB 3.32Å; I154-V158 VanDerWaalsContact O-CG2 3.24Å; I154-V158 WeakPolarHBondContact O-CG2 2.69Å; I154-V158 PolarHBondContact O-N 2.96Å; F155-V158 PolarHBondContact O-N 3.38Å; F156-V158 VanDerWaalsContact C-N 3.34Å; F156-V158 PolarHBondContact O-N 3.24Å; V158-A161 PolarHBondContact O-N 3.16Å; V158-T162 HydrophobicContact CG1-CG2 3.96Å; V158-T162 VanDerWaalsContact O-CB 3.26Å; V158-T162 WeakPolarHBondContact O-CB 3.47Å; V158-T162 WeakPolarHBondContact O-CG2 3.3Å; V158-T162 PolarHBondContact O-N 3.3Å; V158-T162 PolarHBondContact O-OG1 2.95Å
159W79.9Confident78Confident27 Ų2748.6 Ų48.610%0.10227%0.272CS..Hα-helixtrans-57.1-52.2175.1176.2-79.9000111.8V128 T129 F155 F156 A161 T162 R163 W206 T207V128-W159 HydrophobicContact CB-CE3 4.48Å; V128-W159 VanDerWaalsContact CG1-CA 3.46Å; V128-W159 HydrophobicContact CG1-CB 3.66Å; V128-W159 HydrophobicContact CG1-CD2 4.09Å; V128-W159 HydrophobicContact CG1-CE3 3.46Å; V128-W159 VanDerWaalsContact CG1-CE3 3.46Å; V128-W159 HydrophobicContact CG1-CG 4.24Å; V128-W159 HydrophobicContact CG1-CZ3 4.36Å; T129-W159 HydrophobicContact CG2-CZ3 4.1Å; F155-W159 HydrophobicContact CZ-CE3 4.25Å; F155-W159 WeakPolarHBondContact O-CB 3.37Å; F155-W159 PolarHBondContact O-N 2.83Å; F156-W159 WeakPolarHBondContact O-CB 3.24Å; F156-W159 PolarHBondContact O-N 3.49Å; W159-A161 PolarHBondContact O-N 2.85Å; W159-T162 PolarHBondContact O-N 3.42Å; W159-T162 PolarHBondContact O-OG1 2.83Å; W159-R163 HydrophobicContact CD2-CG 4.24Å; W159-R163 HydrophobicContact CZ2-CG 4.42Å; W159-R163 VanDerWaalsContact O-CB 3.29Å; W159-R163 WeakPolarHBondContact O-CB 3.19Å; W159-R163 WeakPolarHBondContact O-CG 3.41Å; W159-R163 PolarHBondContact O-N 3.46Å; W159-W206 HydrophobicContact CZ2-CB 4.03Å; W159-T207 PolarHBondContact NE1-OG1 3.42Å
160V82.7Confident78.7Confident45 Ų4552.4 Ų52.427%0.27329%0.285SS..Hα-helixtrans-62.1-46.6-180171.50000111.1F156 V157 T162 L164 T207F156-V160 HydrophobicContact CD2-CG2 4.16Å; F156-V160 HydrophobicContact CE1-CG2 4.17Å; F156-V160 HydrophobicContact CE2-CG2 3.65Å; F156-V160 HydrophobicContact CZ-CG2 3.67Å; F156-V160 WeakPolarHBondContact O-CG2 3.3Å; F156-V160 PolarHBondContact O-N 3.49Å; V157-V160 PolarHBondContact O-N 2.88Å; V160-T162 VanDerWaalsContact C-N 3.35Å; V160-T162 PolarHBondContact O-N 3.39Å; V160-L164 HydrophobicContact CG1-CD1 4.33Å; V160-L164 WeakPolarHBondContact O-CA 3.12Å; V160-L164 WeakPolarHBondContact O-CB 3.43Å; V160-L164 PolarHBondContact O-N 2.91Å; V160-T207 HydrophobicContact CG2-CG2 3.93Å
161A81.9Confident79Confident53 Ų5348.7 Ų48.744%0.43826%0.262SS..Iπ-helixtrans-63.4-41.6-178.700000112.2V157 V158 W159 G165 I166V157-A161 VanDerWaalsContact O-CB 3.32Å; V157-A161 WeakPolarHBondContact O-CB 3.32Å; V157-A161 PolarHBondContact O-N 3.42Å; V158-A161 PolarHBondContact O-N 3.16Å; W159-A161 PolarHBondContact O-N 2.85Å; A161-G165 WeakPolarHBondContact O-CA 3.49Å; A161-G165 PolarHBondContact O-N 2.93Å; A161-G165 VanDerWaalsContact O-N 3.09Å; A161-I166 PolarHBondContact O-N 3.26Å
162T77.9Confident79.6Confident15 Ų1545.8 Ų45.89%0.09225%0.247CC..Iπ-helixtrans-78.9-37.3-175.861.60000112.3V124 V128 V158 W159 V160 I166 Y167V124-T162 HydrophobicContact CB-CG2 4.48Å; V124-T162 HydrophobicContact CG1-CG2 4.24Å; V124-T162 HydrophobicContact CG2-CG2 3.86Å; V128-T162 HydrophobicContact CG2-CG2 4.23Å; V158-T162 HydrophobicContact CG1-CG2 3.96Å; V158-T162 VanDerWaalsContact O-CB 3.26Å; V158-T162 WeakPolarHBondContact O-CB 3.47Å; V158-T162 WeakPolarHBondContact O-CG2 3.3Å; V158-T162 PolarHBondContact O-N 3.3Å; V158-T162 PolarHBondContact O-OG1 2.95Å; W159-T162 PolarHBondContact O-N 3.42Å; W159-T162 PolarHBondContact O-OG1 2.83Å; V160-T162 VanDerWaalsContact C-N 3.35Å; V160-T162 PolarHBondContact O-N 3.39Å; T162-I166 HydrophobicContact CG2-CD1 4.23Å; T162-I166 WeakPolarHBondContact O-CB 3.3Å; T162-I166 PolarHBondContact O-N 3.22Å; T162-Y167 PolarHBondContact O-N 2.92Å
163R80.3Confident80.5Confident3 Ų351.2 Ų51.21%0.01127%0.268CS..Iπ-helixtrans-91-30.3-176.8-56.4-53.7-173.91678.1114.8D112 W159 Y167 P168 Q203D112-R163 IonicContact OD1-CZ 3.14Å; D112-R163 IonicContact OD1-NH1 3.49Å; D112-R163 PolarHBondContact OD1-NH1 3.49Å; D112-R163 IonicContact OD1-NH2 3.67Å; D112-R163 IonicContact OD2-CZ 3.88Å; D112-R163 IonicContact OD2-NH1 3.82Å; D112-R163 PolarHBondContact OD2-NH1 2.97Å; D112-R163 IonicContact OD2-NH2 2.8Å; D112-R163 PolarHBondContact OD2-NH2 3.22Å; W159-R163 HydrophobicContact CD2-CG 4.24Å; W159-R163 HydrophobicContact CZ2-CG 4.42Å; W159-R163 VanDerWaalsContact O-CB 3.29Å; W159-R163 WeakPolarHBondContact O-CB 3.19Å; W159-R163 WeakPolarHBondContact O-CG 3.41Å; W159-R163 PolarHBondContact O-N 3.46Å; R163-Y167 WeakPolarHBondContact O-CB 3.41Å; R163-P168 WeakPolarHBondContact O-CD 3.48Å; R163-Q203 HydrophobicContact CB-CB 4.35Å
164L82.9Confident80.9Confident57 Ų5749.1 Ų49.130%0.29825%0.253SS..Iπ-helixtrans-102.2-22.2175.6-61.6-169.9000113.9V160 P168 L204 T207V160-L164 HydrophobicContact CG1-CD1 4.33Å; V160-L164 WeakPolarHBondContact O-CA 3.12Å; V160-L164 WeakPolarHBondContact O-CB 3.43Å; V160-L164 PolarHBondContact O-N 2.91Å; L164-P168 WeakPolarHBondContact O-CG 3.49Å; L164-L204 HydrophobicContact CD2-CD2 3.46Å; L164-L204 VanDerWaalsContact CD2-CD2 3.46Å; L164-L204 HydrophobicContact CD2-CG 4.24Å; L164-T207 HydrophobicContact CD1-CG2 3.68Å; L164-T207 HydrophobicContact CG-CG2 4.25Å
165G81.3Confident81.2Confident23 Ų2344.7 Ų44.724%0.23723%0.23CC..Iπ-helixtrans-91.9-75.8173.600000110.8A161 Y167 P168 F169A161-G165 WeakPolarHBondContact O-CA 3.49Å; A161-G165 PolarHBondContact O-N 2.93Å; A161-G165 VanDerWaalsContact O-N 3.09Å; G165-Y167 PolarHBondContact O-N 3.15Å; G165-P168 WeakPolarHBondContact O-CD 3.43Å; G165-F169 WeakPolarHBondContact O-CB 2.95Å; G165-F169 WeakPolarHBondContact O-CD2 3.36Å; G165-F169 PolarHBondContact O-N 2.76Å
166I80.6Confident81.7Confident61 Ų6146.3 Ų46.331%0.31324%0.242SC..Iπ-helixtrans-61.9-46.1-169-60.7176.4000111.7V124 A161 T162 R170V124-I166 HydrophobicContact CG2-CD1 4.24Å; V124-I166 HydrophobicContact CG2-CG2 4.27Å; A161-I166 PolarHBondContact O-N 3.26Å; T162-I166 HydrophobicContact CG2-CD1 4.23Å; T162-I166 WeakPolarHBondContact O-CB 3.3Å; T162-I166 PolarHBondContact O-N 3.22Å; I166-R170 VanDerWaalsContact O-CB 3.27Å; I166-R170 WeakPolarHBondContact O-CB 3.24Å; I166-R170 PolarHBondContact O-N 3.15Å
167Y79Confident82.1Confident5 Ų549 Ų492%0.0226%0.257CS..Iπ-helixtrans-60.1-60-175.3-174.4-79.9000114.1H115 T162 R163 G165 I171 I172 L196 L199 L200H115-Y167 AromaticContact CE1-CD2 3.6Å; H115-Y167 AromaticContact CE1-CE2 2.94Å; H115-Y167 WeakPolarHBondContact CE1-CE2 3.49Å; H115-Y167 AromaticContact CE1-CZ 3.39Å; H115-Y167 AromaticContact CG-CE2 3.96Å; H115-Y167 AromaticContact ND1-CE2 3.25Å; H115-Y167 VanDerWaalsContact ND1-CE2 3.25Å; H115-Y167 WeakPolarHBondContact ND1-CE2 3.16Å; H115-Y167 AromaticContact ND1-CZ 3.48Å; H115-Y167 PolarHBondContact ND1-OH 2.63Å; H115-Y167 VanDerWaalsContact ND1-OH 3.13Å; H115-Y167 AromaticContact NE2-CD2 3.84Å; H115-Y167 AromaticContact NE2-CE2 3.5Å; H115-Y167 WeakPolarHBondContact NE2-CE2 3.43Å; T162-Y167 PolarHBondContact O-N 2.92Å; R163-Y167 WeakPolarHBondContact O-CB 3.41Å; G165-Y167 PolarHBondContact O-N 3.15Å; Y167-I171 HydrophobicContact CD2-CG1 4.35Å; Y167-I171 VanDerWaalsContact O-CB 3.27Å; Y167-I171 WeakPolarHBondContact O-CB 3.3Å; Y167-I171 WeakPolarHBondContact O-CG1 3.47Å; Y167-I171 PolarHBondContact O-N 3.1Å; Y167-I172 HydrophobicContact CE1-CD1 4.25Å; Y167-I172 HydrophobicContact CE1-CG1 4.42Å; Y167-L196 PolarHBondContact OH-O 3.48Å; Y167-L199 WeakPolarHBondContact OH-CB 3.32Å; Y167-L200 HydrophobicContact CD1-CB 4.46Å; Y167-L200 HydrophobicContact CD1-CD1 3.96Å; Y167-L200 HydrophobicContact CE1-CB 3.91Å; Y167-L200 HydrophobicContact CE1-CD1 4.27Å
168P83Confident82.1Confident31 Ų3146.8 Ų46.820%0.20124%0.241CC..Iπ-helixtrans-68.7-39.5-177.826.5-34.6000112.4R163 L164 G165 I172 L200R163-P168 WeakPolarHBondContact O-CD 3.48Å; L164-P168 WeakPolarHBondContact O-CG 3.49Å; G165-P168 WeakPolarHBondContact O-CD 3.43Å; P168-I172 WeakPolarHBondContact O-CB 3.44Å; P168-L200 HydrophobicContact CB-CD1 4.08Å; P168-L200 HydrophobicContact CB-CD2 4.29Å; P168-L200 HydrophobicContact CG-CD1 4.41Å
169F84Confident82.2Confident155 Ų15544.5 Ų44.568%0.6823%0.227SC*.Iπ-helixtrans-78.4-32.7-173.9-64.3-58.1000113.7G165 Y173G165-F169 WeakPolarHBondContact O-CB 2.95Å; G165-F169 WeakPolarHBondContact O-CD2 3.36Å; G165-F169 PolarHBondContact O-N 2.76Å; F169-Y173 WeakPolarHBondContact O-CB 3.34Å
170R82.3Confident82.3Confident107 Ų10745 Ų4540%0.40423%0.234SC..Iπ-helixtrans-97.5-46.2179.5-66.3-165.5168.2-130.5-3.8112.8W54 I166 S174W54-R170 PolarHBondContact O-NH1 3.47Å; I166-R170 VanDerWaalsContact O-CB 3.27Å; I166-R170 WeakPolarHBondContact O-CB 3.24Å; I166-R170 PolarHBondContact O-N 3.15Å; R170-S174 WeakPolarHBondContact O-CB 3.46Å; R170-S174 PolarHBondContact O-N 2.86Å
171I79.2Confident82.3Confident4 Ų446.9 Ų46.92%0.02125%0.254CS..Iπ-helixtrans-77-56.2-170.5-43.6-65.1000110.6H115 Y119 N121 Y167 Y173 S174 T175H115-I171 WeakPolarHBondContact CE1-CG2 3.35Å; H115-I171 WeakPolarHBondContact NE2-CG1 3.35Å; H115-I171 WeakPolarHBondContact NE2-CG2 2.98Å; Y119-I171 HydrophobicContact CD2-CG2 3.71Å; Y119-I171 HydrophobicContact CE2-CG2 4.09Å; Y119-I171 HydrophobicContact CG-CG2 4.07Å; N121-I171 HydrophobicContact CB-CD1 4Å; N121-I171 WeakPolarHBondContact ND2-CD1 3.25Å; Y167-I171 HydrophobicContact CD2-CG1 4.35Å; Y167-I171 VanDerWaalsContact O-CB 3.27Å; Y167-I171 WeakPolarHBondContact O-CB 3.3Å; Y167-I171 WeakPolarHBondContact O-CG1 3.47Å; Y167-I171 PolarHBondContact O-N 3.1Å; I171-Y173 PolarHBondContact O-N 3.42Å; I171-S174 WeakPolarHBondContact O-CA 3.5Å; I171-S174 WeakPolarHBondContact O-CB 3.42Å; I171-S174 PolarHBondContact O-N 3.46Å; I171-T175 HydrophobicContact CG2-CG2 3.96Å; I171-T175 WeakPolarHBondContact O-CG2 3.35Å; I171-T175 PolarHBondContact O-N 3.5Å
172I83.9Confident82.1Confident26 Ų2648.2 Ų48.213%0.13325%0.254CS..Iπ-helixtrans-59.4-36-179.2-56.2-62.6000110.4Y167 P168 T175 T176 L196 L197Y167-I172 HydrophobicContact CE1-CD1 4.25Å; Y167-I172 HydrophobicContact CE1-CG1 4.42Å; P168-I172 WeakPolarHBondContact O-CB 3.44Å; I172-T175 PolarHBondContact O-N 3.44Å; I172-T175 PolarHBondContact O-OG1 3.44Å; I172-T175 VanDerWaalsContact O-OG1 3.13Å; I172-T176 HydrophobicContact CG2-CG2 4.06Å; I172-T176 WeakPolarHBondContact O-CB 3.39Å; I172-T176 VanDerWaalsContact O-CG2 3.31Å; I172-T176 WeakPolarHBondContact O-CG2 3.19Å; I172-T176 PolarHBondContact O-N 3.15Å; I172-T176 PolarHBondContact O-OG1 2.92Å; I172-L196 HydrophobicContact CD1-CB 3.76Å; I172-L197 HydrophobicContact CD1-CD2 4.43Å
173Y84.3Confident81.8Confident124 Ų12448.9 Ų48.949%0.48626%0.258SS..Hα-helixtrans-62.4-47.3172.6-175.8-95.5000112.5F169 I171 T175 T176 I177 E178F169-Y173 WeakPolarHBondContact O-CB 3.34Å; I171-Y173 PolarHBondContact O-N 3.42Å; Y173-T175 VanDerWaalsContact C-N 3.27Å; Y173-T175 PolarHBondContact O-N 3.29Å; Y173-T176 PolarHBondContact O-N 3.35Å; Y173-I177 HydrophobicContact CD2-CB 4.37Å; Y173-I177 HydrophobicContact CD2-CG1 3.83Å; Y173-I177 HydrophobicContact CE1-CB 4.45Å; Y173-I177 HydrophobicContact CE2-CB 4.09Å; Y173-I177 HydrophobicContact CE2-CG1 3.72Å; Y173-I177 HydrophobicContact CE2-CG2 4.25Å; Y173-I177 HydrophobicContact CG-CG1 4.48Å; Y173-I177 WeakPolarHBondContact O-CB 3.44Å; Y173-I177 PolarHBondContact O-N 2.98Å; Y173-E178 HydrophobicContact CE1-CG 4.31Å
174S84Confident81.6Confident0 Ų053.5 Ų53.50%029%0.29CS..Iπ-helixtrans-61.1-37.4177.5-169.80000112.1T56 W60 R170 I171 E178 A179T56-S174 WeakPolarHBondContact CB-OG 3.45Å; W60-S174 PolarHBondContact NE1-OG 3.41Å; W60-S174 VanDerWaalsContact NE1-OG 3.13Å; R170-S174 WeakPolarHBondContact O-CB 3.46Å; R170-S174 PolarHBondContact O-N 2.86Å; I171-S174 WeakPolarHBondContact O-CA 3.5Å; I171-S174 WeakPolarHBondContact O-CB 3.42Å; I171-S174 PolarHBondContact O-N 3.46Å; S174-E178 WeakPolarHBondContact CB-OE2 3.36Å; S174-E178 WeakPolarHBondContact O-CB 3.46Å; S174-E178 PolarHBondContact O-N 3.48Å; S174-E178 PolarHBondContact OG-OE2 2.82Å; S174-A179 PolarHBondContact O-N 2.83Å
175T83.4Confident81.3Confident0 Ų057.1 Ų57.10%030%0.304CS..Iπ-helixtrans-76.3-36.3-177.4780000112.7Y119 I171 I172 Y173 A179 Y189 N193 L196Y119-T175 HydrophobicContact CD2-CG2 4.25Å; Y119-T175 HydrophobicContact CE1-CG2 3.95Å; Y119-T175 HydrophobicContact CE2-CG2 3.25Å; Y119-T175 VanDerWaalsContact OH-CB 3.24Å; Y119-T175 WeakPolarHBondContact OH-CB 3.46Å; Y119-T175 WeakPolarHBondContact OH-CG2 3.33Å; I171-T175 HydrophobicContact CG2-CG2 3.96Å; I171-T175 WeakPolarHBondContact O-CG2 3.35Å; I171-T175 PolarHBondContact O-N 3.5Å; I172-T175 PolarHBondContact O-N 3.44Å; I172-T175 PolarHBondContact O-OG1 3.44Å; I172-T175 VanDerWaalsContact O-OG1 3.13Å; Y173-T175 VanDerWaalsContact C-N 3.27Å; Y173-T175 PolarHBondContact O-N 3.29Å; T175-A179 WeakPolarHBondContact O-CB 3.2Å; T175-Y189 WeakPolarHBondContact O-CE2 3.27Å; T175-Y189 PolarHBondContact O-OH 3.49Å; T175-Y189 VanDerWaalsContact O-OH 3.12Å; T175-N193 VanDerWaalsContact CB-OD1 3.29Å; T175-N193 WeakPolarHBondContact CB-OD1 3.37Å; T175-N193 PolarHBondContact OG1-OD1 2.99Å; T175-L196 HydrophobicContact CG2-CD1 3.32Å
176T85.3Confident81Confident61 Ų6159.8 Ų59.837%0.37431%0.309SS..Iπ-helixtrans-91.8-27-173.356.20000113.4I172 Y173 P180I172-T176 HydrophobicContact CG2-CG2 4.06Å; I172-T176 WeakPolarHBondContact O-CB 3.39Å; I172-T176 VanDerWaalsContact O-CG2 3.31Å; I172-T176 WeakPolarHBondContact O-CG2 3.19Å; I172-T176 PolarHBondContact O-N 3.15Å; I172-T176 PolarHBondContact O-OG1 2.92Å; Y173-T176 PolarHBondContact O-N 3.35Å; T176-P180 VanDerWaalsContact O-CG 3.31Å; T176-P180 WeakPolarHBondContact O-CG 3.21Å
177I85.7Confident80.8Confident92 Ų9262.5 Ų62.547%0.47233%0.328SS..Iπ-helixtrans-113.9-50.2-175.6-52.3-59.4000111.8Y173 P180Y173-I177 HydrophobicContact CD2-CB 4.37Å; Y173-I177 HydrophobicContact CD2-CG1 3.83Å; Y173-I177 HydrophobicContact CE1-CB 4.45Å; Y173-I177 HydrophobicContact CE2-CB 4.09Å; Y173-I177 HydrophobicContact CE2-CG1 3.72Å; Y173-I177 HydrophobicContact CE2-CG2 4.25Å; Y173-I177 HydrophobicContact CG-CG1 4.48Å; Y173-I177 WeakPolarHBondContact O-CB 3.44Å; Y173-I177 PolarHBondContact O-N 2.98Å; I177-P180 WeakPolarHBondContact O-CD 3.08Å; I177-P180 WeakPolarHBondContact O-CG 3.17Å
178E83.1Confident80.5Confident43 Ų4364.9 Ų64.920%0.20135%0.349CS..Iπ-helixtrans-76.5-42.2-175.7-58.1177.8165.400112.5T56 A57 Y173 S174 A181T56-E178 WeakPolarHBondContact CB-OE2 3.39Å; T56-E178 PolarHBondContact OG1-OE1 3.4Å; T56-E178 PolarHBondContact OG1-OE2 3.41Å; A57-E178 PolarHBondContact N-OE2 3.47Å; Y173-E178 HydrophobicContact CE1-CG 4.31Å; S174-E178 WeakPolarHBondContact CB-OE2 3.36Å; S174-E178 WeakPolarHBondContact O-CB 3.46Å; S174-E178 PolarHBondContact O-N 3.48Å; S174-E178 PolarHBondContact OG-OE2 2.82Å; E178-A181 PolarHBondContact O-N 2.87Å
179A81.9Confident80.3Confident2 Ų265 Ų652%0.01735%0.346CS..Hα-helixtrans-57.2-51.3-179.800000114.3W60 S174 T175 A181 L182 V183 Y189W60-A179 HydrophobicContact CD2-CB 4.33Å; W60-A179 HydrophobicContact CH2-CB 3.47Å; W60-A179 VanDerWaalsContact CH2-CB 3.47Å; W60-A179 HydrophobicContact CZ2-CB 3.14Å; W60-A179 HydrophobicContact CZ3-CB 4.17Å; S174-A179 PolarHBondContact O-N 2.83Å; T175-A179 WeakPolarHBondContact O-CB 3.2Å; A179-A181 PolarHBondContact O-N 2.71Å; A179-L182 PolarHBondContact O-N 3.22Å; A179-L182 VanDerWaalsContact O-N 3.09Å; A179-V183 PolarHBondContact O-N 2.87Å; A179-Y189 HydrophobicContact CB-CE2 4.15Å
180P81.2Confident80.1Confident38 Ų3864.7 Ų64.725%0.24734%0.341CS..Hα-helixtrans-68-16.9-177.628-37.1000113.5T176 I177 F185T176-P180 VanDerWaalsContact O-CG 3.31Å; T176-P180 WeakPolarHBondContact O-CG 3.21Å; I177-P180 WeakPolarHBondContact O-CD 3.08Å; I177-P180 WeakPolarHBondContact O-CG 3.17Å; P180-F185 HydrophobicContact CB-CE1 3.57Å; P180-F185 HydrophobicContact CB-CZ 3.63Å
181A82.8Confident79.9Confident84 Ų8463.3 Ų63.369%0.69434%0.344SS*.Hα-helixtrans-77.3-23.4174.500000112.8E178 A179E178-A181 PolarHBondContact O-N 2.87Å; A179-A181 PolarHBondContact O-N 2.71Å
182L77.6Confident79.6Confident81 Ų8164.2 Ų64.242%0.42435%0.348SS..Hα-helixtrans-114.4-26-170.4-65.5172.3000113.8W60 A179W60-L182 HydrophobicContact CB-CB 4.16Å; W60-L182 HydrophobicContact CB-CD1 3.45Å; W60-L182 VanDerWaalsContact CB-CD1 3.45Å; W60-L182 HydrophobicContact CB-CG 4.45Å; W60-L182 HydrophobicContact CG-CD1 4.06Å; A179-L182 PolarHBondContact O-N 3.22Å; A179-L182 VanDerWaalsContact O-N 3.09Å
183V72.2Confident79.5Confident29 Ų2963.9 Ų63.918%0.17635%0.347CS..SBendtrans-123.7139.2-175-174.10000110.6W60 Y63 A179 F186W60-V183 HydrophobicContact CE3-CG2 3.93Å; W60-V183 HydrophobicContact CZ3-CG2 4.38Å; Y63-V183 HydrophobicContact CD1-CG1 4Å; Y63-V183 HydrophobicContact CD1-CG2 4.03Å; Y63-V183 HydrophobicContact CE1-CG1 4.14Å; A179-V183 PolarHBondContact O-N 2.87Å; V183-F186 HydrophobicContact CG1-CE1 4.21Å
184S75.9Confident79.3Confident100 Ų10060.8 Ų60.870%0.69934%0.343SS*.  trans-66.3139175560000111.9F186S184-F186 WeakPolarHBondContact O-CD1 3.38Å; S184-F186 PolarHBondContact O-N 2.81Å
185F75.8Confident79.1Confident133 Ų13363.6 Ų63.658%0.58336%0.358SS*.  trans-60.9132.7-179.2-60.1-77000113.3P180P180-F185 HydrophobicContact CB-CE1 3.57Å; P180-F185 HydrophobicContact CB-CZ 3.63Å
186F76.3Confident78.8Confident80 Ų8063.7 Ų63.735%0.35136%0.358SS..  trans-137.2155173.259.6-87.1000109.9V183 S184 A188 Y189V183-F186 HydrophobicContact CG1-CE1 4.21Å; S184-F186 WeakPolarHBondContact O-CD1 3.38Å; S184-F186 PolarHBondContact O-N 2.81Å; F186-A188 VanDerWaalsContact C-N 3.26Å; F186-A188 HydrophobicContact CD2-CB 3.57Å; F186-A188 VanDerWaalsContact CE2-C 3.42Å; F186-A188 HydrophobicContact CE2-CB 3.52Å; F186-A188 PolarHBondContact O-N 3.23Å; F186-Y189 VanDerWaalsContact CD2-N 3.31Å; F186-Y189 WeakPolarHBondContact O-CB 3.47Å; F186-Y189 PolarHBondContact O-N 2.81Å
187V76.4Confident78.8Confident118 Ų11865.4 Ų65.472%0.71537%0.365SS*.Hα-helixtrans-56.2-40.4-175.4175.50000112.5Y189 Y190 T191V187-Y189 PolarHBondContact O-N 2.8Å; V187-Y189 VanDerWaalsContact O-N 3.13Å; V187-Y190 PolarHBondContact O-N 2.81Å; V187-T191 PolarHBondContact O-N 3.48Å
188A73.3Confident78.6Confident54 Ų5464.9 Ų64.945%0.44637%0.366SS..Hα-helixtrans-65.1-15.3179.400000113.9F186 F192F186-A188 VanDerWaalsContact C-N 3.26Å; F186-A188 HydrophobicContact CD2-CB 3.57Å; F186-A188 VanDerWaalsContact CE2-C 3.42Å; F186-A188 HydrophobicContact CE2-CB 3.52Å; F186-A188 PolarHBondContact O-N 3.23Å; A188-F192 WeakPolarHBondContact O-CB 3.25Å; A188-F192 PolarHBondContact O-N 3.43Å
189Y77.1Confident78.4Confident35 Ų3563 Ų6314%0.13736%0.357CS..Hα-helixtrans-61.9-44.2169.4165.9-94.1000111.4T175 A179 F186 V187 F192 N193T175-Y189 WeakPolarHBondContact O-CE2 3.27Å; T175-Y189 PolarHBondContact O-OH 3.49Å; T175-Y189 VanDerWaalsContact O-OH 3.12Å; A179-Y189 HydrophobicContact CB-CE2 4.15Å; F186-Y189 VanDerWaalsContact CD2-N 3.31Å; F186-Y189 WeakPolarHBondContact O-CB 3.47Å; F186-Y189 PolarHBondContact O-N 2.81Å; V187-Y189 PolarHBondContact O-N 2.8Å; V187-Y189 VanDerWaalsContact O-N 3.13Å; Y189-F192 PolarHBondContact O-N 3.26Å; Y189-N193 WeakPolarHBondContact CD2-ND2 3.38Å; Y189-N193 WeakPolarHBondContact CE2-ND2 3.27Å; Y189-N193 PolarHBondContact O-N 2.87Å; Y189-N193 PolarHBondContact O-ND2 3.01Å
190Y81.6Confident78.5Confident148 Ų14864.4 Ų64.458%0.5836%0.364SS*.Hα-helixtrans-70.3-42.8180-65.3-72.2000111.7V187 F192 N193 S194V187-Y190 PolarHBondContact O-N 2.81Å; Y190-F192 PolarHBondContact O-N 3.43Å; Y190-N193 PolarHBondContact O-N 3.32Å; Y190-S194 PolarHBondContact O-N 2.94Å; Y190-S194 PolarHBondContact O-OG 3.39Å
191T76.4Confident78.6Confident77 Ų7764.8 Ų64.847%0.47237%0.37SS..Hα-helixtrans-58.4-39.4174.4-50.40000111.1V187 S194 L195V187-T191 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 3.29Å; T191-L195 VanDerWaalsContact O-CG 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.32Å; T191-L195 PolarHBondContact O-N 2.91Å
192F73.2Confident78.4Confident24 Ų2461.7 Ų61.711%0.10534%0.342CS..Hα-helixtrans-71.7-45179.5179-105.3000111.9V114 H118 Y119 A188 Y189 Y190 S194 L195 L196V114-F192 HydrophobicContact CG1-CD2 4.25Å; V114-F192 HydrophobicContact CG1-CE2 4.09Å; H118-F192 HydrophobicContact CB-CE1 4.06Å; H118-F192 HydrophobicContact CB-CE2 3.66Å; H118-F192 HydrophobicContact CB-CZ 3.31Å; H118-F192 AromaticContact CD2-CD1 3.98Å; H118-F192 AromaticContact CD2-CE1 3.29Å; H118-F192 WeakPolarHBondContact CD2-CE1 3.31Å; H118-F192 AromaticContact CD2-CZ 3.54Å; H118-F192 AromaticContact CG-CE1 3.8Å; H118-F192 AromaticContact CG-CE2 3.99Å; H118-F192 AromaticContact CG-CZ 3.56Å; Y119-F192 HydrophobicContact CD2-CE1 4.27Å; Y119-F192 AromaticContact CD2-CZ 3.99Å; Y119-F192 HydrophobicContact CD2-CZ 3.99Å; Y119-F192 AromaticContact CE2-CE1 3.27Å; Y119-F192 HydrophobicContact CE2-CE1 3.27Å; Y119-F192 AromaticContact CE2-CZ 3.42Å; Y119-F192 HydrophobicContact CE2-CZ 3.42Å; Y119-F192 VanDerWaalsContact CE2-CZ 3.42Å; Y119-F192 AromaticContact CZ-CE1 3.78Å; A188-F192 WeakPolarHBondContact O-CB 3.25Å; A188-F192 PolarHBondContact O-N 3.43Å; Y189-F192 PolarHBondContact O-N 3.26Å; Y190-F192 PolarHBondContact O-N 3.43Å; F192-S194 VanDerWaalsContact C-N 3.28Å; F192-S194 PolarHBondContact O-N 3.46Å; F192-L195 WeakPolarHBondContact O-CB 2.83Å; F192-L195 PolarHBondContact O-N 3.34Å; F192-L195 VanDerWaalsContact O-N 3.17Å; F192-L196 HydrophobicContact CD1-CD1 4.05Å; F192-L196 HydrophobicContact CD1-CG 4.49Å; F192-L196 HydrophobicContact CE1-CD1 3.62Å; F192-L196 HydrophobicContact CE1-CD2 4.32Å; F192-L196 HydrophobicContact CE1-CG 4.13Å; F192-L196 HydrophobicContact CE2-CD2 4.38Å; F192-L196 HydrophobicContact CZ-CD1 4.04Å; F192-L196 HydrophobicContact CZ-CD2 3.88Å; F192-L196 HydrophobicContact CZ-CG 4.12Å; F192-L196 WeakPolarHBondContact O-CG 3.32Å; F192-L196 PolarHBondContact O-N 3.01Å; F192-L196 VanDerWaalsContact O-N 3.1Å
193N82.9Confident78.6Confident18 Ų1858 Ų5810%0.09632%0.323CS..Hα-helixtrans-61.2-34174.8-80.6-83.3000113.2T175 Y189 Y190 L196 L197T175-N193 VanDerWaalsContact CB-OD1 3.29Å; T175-N193 WeakPolarHBondContact CB-OD1 3.37Å; T175-N193 PolarHBondContact OG1-OD1 2.99Å; Y189-N193 WeakPolarHBondContact CD2-ND2 3.38Å; Y189-N193 WeakPolarHBondContact CE2-ND2 3.27Å; Y189-N193 PolarHBondContact O-N 2.87Å; Y189-N193 PolarHBondContact O-ND2 3.01Å; Y190-N193 PolarHBondContact O-N 3.32Å; N193-L196 WeakPolarHBondContact O-CB 3.35Å; N193-L196 PolarHBondContact O-N 3.4Å; N193-L197 WeakPolarHBondContact O-CG 3.1Å; N193-L197 PolarHBondContact O-N 3.41Å
194S80.3Confident79.2Confident60 Ų6060.7 Ų60.742%0.4234%0.336SS..Hα-helixtrans-67.4-39.9175.266.90000112.2Y190 T191 F192 L196 L197 V198Y190-S194 PolarHBondContact O-N 2.94Å; Y190-S194 PolarHBondContact O-OG 3.39Å; T191-S194 PolarHBondContact O-OG 3.29Å; F192-S194 VanDerWaalsContact C-N 3.28Å; F192-S194 PolarHBondContact O-N 3.46Å; S194-L196 VanDerWaalsContact C-N 3.29Å; S194-L196 PolarHBondContact O-N 3.08Å; S194-L197 PolarHBondContact O-N 3.17Å; S194-V198 WeakPolarHBondContact O-CG2 3.23Å; S194-V198 PolarHBondContact O-N 2.88Å
195L78Confident79.5Confident59 Ų5960.4 Ų60.431%0.30933%0.325SS..Hα-helixtrans-61.2-38.5174.2-66.7166.8000111.7L111 V114 T191 F192 L197 V198 L199L111-L195 HydrophobicContact CD2-CB 4.47Å; L111-L195 HydrophobicContact CD2-CD2 3.67Å; V114-L195 HydrophobicContact CG1-CD1 4.47Å; T191-L195 VanDerWaalsContact O-CG 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.32Å; T191-L195 PolarHBondContact O-N 2.91Å; F192-L195 WeakPolarHBondContact O-CB 2.83Å; F192-L195 PolarHBondContact O-N 3.34Å; F192-L195 VanDerWaalsContact O-N 3.17Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.45Å; L195-V198 PolarHBondContact O-N 2.88Å; L195-L199 WeakPolarHBondContact O-CB 2.99Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.07Å
196L78.9Confident79.6Confident1 Ų155.5 Ų55.51%0.00530%0.303CS..Hα-helixtrans-63.5-35176.1-63.8175.7000113.5H115 Y119 Y167 I172 T175 F192 N193 S194 L199 L200H115-L196 HydrophobicContact CB-CD2 3.94Å; H115-L196 WeakPolarHBondContact ND1-CD2 3.36Å; Y119-L196 HydrophobicContact CE2-CD1 4.13Å; Y167-L196 PolarHBondContact OH-O 3.48Å; I172-L196 HydrophobicContact CD1-CB 3.76Å; T175-L196 HydrophobicContact CG2-CD1 3.32Å; F192-L196 HydrophobicContact CD1-CD1 4.05Å; F192-L196 HydrophobicContact CD1-CG 4.49Å; F192-L196 HydrophobicContact CE1-CD1 3.62Å; F192-L196 HydrophobicContact CE1-CD2 4.32Å; F192-L196 HydrophobicContact CE1-CG 4.13Å; F192-L196 HydrophobicContact CE2-CD2 4.38Å; F192-L196 HydrophobicContact CZ-CD1 4.04Å; F192-L196 HydrophobicContact CZ-CD2 3.88Å; F192-L196 HydrophobicContact CZ-CG 4.12Å; F192-L196 WeakPolarHBondContact O-CG 3.32Å; F192-L196 PolarHBondContact O-N 3.01Å; F192-L196 VanDerWaalsContact O-N 3.1Å; N193-L196 WeakPolarHBondContact O-CB 3.35Å; N193-L196 PolarHBondContact O-N 3.4Å; S194-L196 VanDerWaalsContact C-N 3.29Å; S194-L196 PolarHBondContact O-N 3.08Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L200 PolarHBondContact O-N 3.23Å
197L84.9Confident80Confident98 Ų9852.2 Ų52.251%0.51329%0.289SS..Hα-helixtrans-74.4-39.2176.4-68.6174.4000111.7I172 N193 S194 L195 L199 L200 A201I172-L197 HydrophobicContact CD1-CD2 4.43Å; N193-L197 WeakPolarHBondContact O-CG 3.1Å; N193-L197 PolarHBondContact O-N 3.41Å; S194-L197 PolarHBondContact O-N 3.17Å; L195-L197 VanDerWaalsContact C-N 3.31Å; L195-L197 PolarHBondContact O-N 3.45Å; L197-L199 VanDerWaalsContact C-N 3.27Å; L197-L199 PolarHBondContact O-N 3.33Å; L197-L200 WeakPolarHBondContact O-CB 3.47Å; L197-L200 PolarHBondContact O-N 3.26Å; L197-A201 PolarHBondContact O-N 3.28Å
198V81Confident80.4Confident81 Ų8153.5 Ų53.549%0.49128%0.282SS..Hα-helixtrans-60.5-41.8173.1172.40000110.4L111 S194 L195 A201 L202L111-V198 HydrophobicContact CD1-CG1 4.21Å; S194-V198 WeakPolarHBondContact O-CG2 3.23Å; S194-V198 PolarHBondContact O-N 2.88Å; L195-V198 PolarHBondContact O-N 2.88Å; V198-A201 WeakPolarHBondContact O-CB 3.47Å; V198-A201 PolarHBondContact O-N 2.85Å; V198-L202 PolarHBondContact O-N 3.18Å
199L79.1Confident80.7Confident2 Ų253.8 Ų53.81%0.0128%0.276CS..Hα-helixtrans-59.3-46.8172.8-83.7170.5000113.3L111 D112 H115 Y167 L195 L196 L197 A201 L202 Q203L111-L199 HydrophobicContact CB-CD1 3.74Å; L111-L199 HydrophobicContact CB-CD2 3.2Å; L111-L199 HydrophobicContact CB-CG 3.47Å; L111-L199 VanDerWaalsContact CB-CG 3.47Å; L111-L199 HydrophobicContact CD1-CD2 4.2Å; L111-L199 HydrophobicContact CD1-CG 4.3Å; L111-L199 HydrophobicContact CG-CD2 4.35Å; L111-L199 HydrophobicContact CG-CG 4.48Å; L111-L199 WeakPolarHBondContact O-CD1 3.28Å; D112-L199 HydrophobicContact CB-CD2 4.43Å; H115-L199 HydrophobicContact CB-CD1 3.77Å; Y167-L199 WeakPolarHBondContact OH-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 2.99Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 3.07Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L197-L199 VanDerWaalsContact C-N 3.27Å; L197-L199 PolarHBondContact O-N 3.33Å; L199-A201 VanDerWaalsContact C-N 3.29Å; L199-A201 PolarHBondContact O-N 3.3Å; L199-L202 WeakPolarHBondContact O-CB 3.38Å; L199-L202 PolarHBondContact O-N 3.11Å; L199-Q203 WeakPolarHBondContact O-CG 3.32Å; L199-Q203 PolarHBondContact O-N 3.31Å
200L84.1Confident80.9Confident32 Ų3252.7 Ų52.717%0.16827%0.273CS..Hα-helixtrans-58-45.4176.1-179.957.8000111Y167 P168 L196 L197 L202 Q203 L204Y167-L200 HydrophobicContact CD1-CB 4.46Å; Y167-L200 HydrophobicContact CD1-CD1 3.96Å; Y167-L200 HydrophobicContact CE1-CB 3.91Å; Y167-L200 HydrophobicContact CE1-CD1 4.27Å; P168-L200 HydrophobicContact CB-CD1 4.08Å; P168-L200 HydrophobicContact CB-CD2 4.29Å; P168-L200 HydrophobicContact CG-CD1 4.41Å; L196-L200 PolarHBondContact O-N 3.23Å; L197-L200 WeakPolarHBondContact O-CB 3.47Å; L197-L200 PolarHBondContact O-N 3.26Å; L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 3.25Å; L200-Q203 PolarHBondContact O-N 2.98Å; L200-L204 HydrophobicContact CD1-CD1 4.37Å; L200-L204 HydrophobicContact CD1-CG 4.37Å; L200-L204 HydrophobicContact CG-CD1 4.05Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.3Å; L200-L204 PolarHBondContact O-N 3.33Å
201A83Confident80.9Confident46 Ų4650 Ų5038%0.3827%0.267SS..Hα-helixtrans-59.8-41.8177.500000111.7L197 V198 L199 L204 I205L197-A201 PolarHBondContact O-N 3.28Å; V198-A201 WeakPolarHBondContact O-CB 3.47Å; V198-A201 PolarHBondContact O-N 2.85Å; L199-A201 VanDerWaalsContact C-N 3.29Å; L199-A201 PolarHBondContact O-N 3.3Å; A201-L204 WeakPolarHBondContact O-CB 3.47Å; A201-L204 PolarHBondContact O-N 3.5Å; A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.02Å; A201-I205 PolarHBondContact O-N 3.36Å
202L79.5Confident81.2Confident19 Ų1952.5 Ų52.510%0.09927%0.268CS..Hα-helixtrans-63.7-44.8177-169.652.4000111.6A108 V198 L199 L200 L204 I205 W206A108-L202 HydrophobicContact CB-CD2 3.34Å; A108-L202 HydrophobicContact CB-CG 4.12Å; V198-L202 PolarHBondContact O-N 3.18Å; L199-L202 WeakPolarHBondContact O-CB 3.38Å; L199-L202 PolarHBondContact O-N 3.11Å; L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 3.25Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-L204 PolarHBondContact O-N 2.84Å; L202-I205 PolarHBondContact O-N 3Å; L202-W206 PolarHBondContact O-N 2.79Å
203Q79.9Confident81.5Confident5 Ų553.1 Ų53.12%0.02327%0.273CS..Hα-helixtrans-64.5-34.5176.2-63.3-63.13.800112.6R163 L199 L200 T207R163-Q203 HydrophobicContact CB-CB 4.35Å; L199-Q203 WeakPolarHBondContact O-CG 3.32Å; L199-Q203 PolarHBondContact O-N 3.31Å; L200-Q203 PolarHBondContact O-N 2.98Å; Q203-T207 WeakPolarHBondContact O-CB 3.41Å; Q203-T207 PolarHBondContact O-N 3.5Å; Q203-T207 PolarHBondContact O-OG1 2.89Å
204L85.6Confident81.2Confident85 Ų8553.1 Ų53.145%0.44528%0.275SS..Hα-helixtrans-65.3-43.1172.7-73.9166.5000111.5L164 L200 A201 L202 T207 Y208L164-L204 HydrophobicContact CD2-CD2 3.46Å; L164-L204 VanDerWaalsContact CD2-CD2 3.46Å; L164-L204 HydrophobicContact CD2-CG 4.24Å; L200-L204 HydrophobicContact CD1-CD1 4.37Å; L200-L204 HydrophobicContact CD1-CG 4.37Å; L200-L204 HydrophobicContact CG-CD1 4.05Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.3Å; L200-L204 PolarHBondContact O-N 3.33Å; A201-L204 WeakPolarHBondContact O-CB 3.47Å; A201-L204 PolarHBondContact O-N 3.5Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-L204 PolarHBondContact O-N 2.84Å; L204-T207 PolarHBondContact O-N 3.17Å; L204-Y208 VanDerWaalsContact O-CB 3.24Å; L204-Y208 WeakPolarHBondContact O-CB 3.49Å; L204-Y208 PolarHBondContact O-N 3.2Å
205I81.9Confident81.2Confident93 Ų9353.1 Ų53.148%0.47727%0.272SS..Hα-helixtrans-61.4-47.7175.7-69163.9000110.3A201 L202 T207 Y208 L209A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.02Å; A201-I205 PolarHBondContact O-N 3.36Å; L202-I205 PolarHBondContact O-N 3Å; I205-T207 PolarHBondContact O-N 3.1Å; I205-Y208 WeakPolarHBondContact O-CB 2.9Å; I205-Y208 PolarHBondContact O-N 3.45Å; I205-L209 HydrophobicContact CG2-CD1 4.11Å; I205-L209 HydrophobicContact CG2-CG 4.42Å; I205-L209 WeakPolarHBondContact O-CG 3.4Å; I205-L209 PolarHBondContact O-N 3.08Å
206W79.3Confident81.1Confident30 Ų3054 Ų5411%0.11428%0.277CS..Hα-helixtrans-60.3-47.4177.5-81108.6000112.2I101 V105 W159 L202 Y208 L209 I210I101-W206 HydrophobicContact CG2-CH2 4.02Å; V105-W206 HydrophobicContact CG2-CH2 3.62Å; V105-W206 HydrophobicContact CG2-CZ2 3.38Å; W159-W206 HydrophobicContact CZ2-CB 4.03Å; L202-W206 PolarHBondContact O-N 2.79Å; W206-Y208 VanDerWaalsContact C-N 3.28Å; W206-Y208 PolarHBondContact O-N 3.39Å; W206-L209 PolarHBondContact O-N 3.28Å; W206-L209 VanDerWaalsContact O-N 3.16Å; W206-I210 VanDerWaalsContact O-CG1 3.3Å; W206-I210 WeakPolarHBondContact O-CG1 3.1Å; W206-I210 PolarHBondContact O-N 3.45Å
207T83.6Confident80.6Confident11 Ų1154.3 Ų54.37%0.06728%0.279CS..Hα-helixtrans-63.9-37.6178.6-51.20000111.1W159 V160 L164 Q203 L204 I205 L211W159-T207 PolarHBondContact NE1-OG1 3.42Å; V160-T207 HydrophobicContact CG2-CG2 3.93Å; L164-T207 HydrophobicContact CD1-CG2 3.68Å; L164-T207 HydrophobicContact CG-CG2 4.25Å; Q203-T207 WeakPolarHBondContact O-CB 3.41Å; Q203-T207 PolarHBondContact O-N 3.5Å; Q203-T207 PolarHBondContact O-OG1 2.89Å; L204-T207 PolarHBondContact O-N 3.17Å; I205-T207 PolarHBondContact O-N 3.1Å; T207-L211 WeakPolarHBondContact O-CB 3.43Å; T207-L211 PolarHBondContact O-N 3.46Å
208Y85.2Confident80Confident145 Ų14551.8 Ų51.857%0.56927%0.272SS*.Hα-helixtrans-62.7-43.3172.9170-101.3000112.4L204 I205 W206 L211 R212L204-Y208 VanDerWaalsContact O-CB 3.24Å; L204-Y208 WeakPolarHBondContact O-CB 3.49Å; L204-Y208 PolarHBondContact O-N 3.2Å; I205-Y208 WeakPolarHBondContact O-CB 2.9Å; I205-Y208 PolarHBondContact O-N 3.45Å; W206-Y208 VanDerWaalsContact C-N 3.28Å; W206-Y208 PolarHBondContact O-N 3.39Å; Y208-L211 PolarHBondContact O-N 2.92Å; Y208-R212 WeakPolarHBondContact O-CB 3.48Å; Y208-R212 PolarHBondContact O-N 3.49Å
209L79.7Confident79.7Confident60 Ų6056.9 Ų56.931%0.31428%0.283SS..Hα-helixtrans-63.4-46.2177.7-71.7172.9000111.5I205 W206 R212 I213I205-L209 HydrophobicContact CG2-CD1 4.11Å; I205-L209 HydrophobicContact CG2-CG 4.42Å; I205-L209 WeakPolarHBondContact O-CG 3.4Å; I205-L209 PolarHBondContact O-N 3.08Å; W206-L209 PolarHBondContact O-N 3.28Å; W206-L209 VanDerWaalsContact O-N 3.16Å; L209-R212 PolarHBondContact O-N 3.14Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 3.17Å
210I80.4Confident79Confident13 Ų1360.1 Ų60.17%0.06731%0.305CS..Hα-helixtrans-64.1-44177.9-58.2163.8000110.2F9 F156 W206 R212 I213 A214F9-I210 HydrophobicContact CD2-CG2 4.25Å; F9-I210 HydrophobicContact CE2-CB 4.07Å; F9-I210 HydrophobicContact CE2-CG1 3.8Å; F9-I210 HydrophobicContact CE2-CG2 3.72Å; F9-I210 HydrophobicContact CZ-CG1 3.95Å; F9-I210 HydrophobicContact CZ-CG2 4.12Å; F156-I210 HydrophobicContact CD2-CB 4.41Å; F156-I210 HydrophobicContact CD2-CG2 3.43Å; F156-I210 VanDerWaalsContact CD2-CG2 3.43Å; F156-I210 HydrophobicContact CE2-CB 3.94Å; F156-I210 HydrophobicContact CE2-CG2 3.26Å; F156-I210 HydrophobicContact CG-CG2 4.49Å; F156-I210 HydrophobicContact CZ-CG2 4.22Å; W206-I210 VanDerWaalsContact O-CG1 3.3Å; W206-I210 WeakPolarHBondContact O-CG1 3.1Å; W206-I210 PolarHBondContact O-N 3.45Å; I210-R212 PolarHBondContact O-N 3.37Å; I210-I213 PolarHBondContact O-N 3.21Å; I210-A214 PolarHBondContact O-N 2.96Å
211L82.4Confident77.4Confident90 Ų9059.8 Ų59.847%0.47131%0.31SS..Hα-helixtrans-64.5-39.4177-173.269.6000112T207 Y208 I213 A214 V215T207-L211 WeakPolarHBondContact O-CB 3.43Å; T207-L211 PolarHBondContact O-N 3.46Å; Y208-L211 PolarHBondContact O-N 2.92Å; L211-I213 VanDerWaalsContact C-N 3.34Å; L211-A214 CarbonylContact O-C 3.59Å; L211-A214 WeakPolarHBondContact O-CA 3.48Å; L211-A214 WeakPolarHBondContact O-CB 3.47Å; L211-A214 PolarHBondContact O-N 2.69Å; L211-A214 VanDerWaalsContact O-N 3.15Å; L211-V215 HydrophobicContact CG-CG2 4.44Å; L211-V215 WeakPolarHBondContact O-CG2 3.31Å; L211-V215 PolarHBondContact O-N 3.16Å
212R82.6Confident75.6Confident131 Ų13165.9 Ų65.949%0.49433%0.33SS..Hα-helixtrans-62-43.6176.3178.9-176.7174.7-147.4-1.7110.7Y208 L209 I210 A214 V215 N216Y208-R212 WeakPolarHBondContact O-CB 3.48Å; Y208-R212 PolarHBondContact O-N 3.49Å; L209-R212 PolarHBondContact O-N 3.14Å; I210-R212 PolarHBondContact O-N 3.37Å; R212-A214 VanDerWaalsContact C-N 3.3Å; R212-V215 PolarHBondContact O-N 3.25Å; R212-N216 VanDerWaalsContact O-CB 3.23Å; R212-N216 WeakPolarHBondContact O-CB 3.16Å; R212-N216 PolarHBondContact O-N 3Å
213I78.2Confident73.9Confident37 Ų3770.9 Ų70.919%0.1936%0.362CS..Hα-helixtrans-63.3-41.6174.4-62.5162000109.5F5 F9 W12 L209 I210 L211 V215 N216 T217F5-I213 HydrophobicContact CD2-CG2 4.36Å; F5-I213 HydrophobicContact CE2-CB 4.49Å; F5-I213 HydrophobicContact CE2-CG2 4.12Å; F9-I213 HydrophobicContact CB-CG2 4.03Å; F9-I213 HydrophobicContact CD2-CB 4.01Å; F9-I213 HydrophobicContact CD2-CD1 3.77Å; F9-I213 HydrophobicContact CD2-CG2 3.78Å; F9-I213 HydrophobicContact CE2-CD1 3.84Å; F9-I213 HydrophobicContact CG-CG2 4.41Å; W12-I213 HydrophobicContact CD2-CD1 4.21Å; W12-I213 HydrophobicContact CE3-CD1 3.67Å; W12-I213 HydrophobicContact CH2-CD1 4.09Å; W12-I213 HydrophobicContact CZ3-CD1 3.61Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 3.17Å; I210-I213 PolarHBondContact O-N 3.21Å; L211-I213 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.5Å; I213-N216 PolarHBondContact O-N 3.42Å; I213-T217 WeakPolarHBondContact O-CB 3.45Å; I213-T217 PolarHBondContact O-N 3.05Å; I213-T217 PolarHBondContact O-OG1 2.86Å
214A77.8Confident71.7Confident18 Ų1876.7 Ų76.715%0.14939%0.392CS..Hα-helixtrans-58.3-48.8175.500000113.9F5 I210 L211 R212 A218F5-A214 HydrophobicContact CD1-CB 4.46Å; F5-A214 HydrophobicContact CD2-CB 3.86Å; F5-A214 HydrophobicContact CE1-CB 4.11Å; F5-A214 HydrophobicContact CE2-CB 3.43Å; F5-A214 VanDerWaalsContact CE2-CB 3.43Å; F5-A214 VanDerWaalsContact CE2-N 3.34Å; F5-A214 HydrophobicContact CG-CB 4.32Å; F5-A214 HydrophobicContact CZ-CB 3.56Å; I210-A214 PolarHBondContact O-N 2.96Å; L211-A214 CarbonylContact O-C 3.59Å; L211-A214 WeakPolarHBondContact O-CA 3.48Å; L211-A214 WeakPolarHBondContact O-CB 3.47Å; L211-A214 PolarHBondContact O-N 2.69Å; L211-A214 VanDerWaalsContact O-N 3.15Å; R212-A214 VanDerWaalsContact C-N 3.3Å; A214-A218 WeakPolarHBondContact O-CB 3.49Å; A214-A218 PolarHBondContact O-N 3.06Å
215V79.4Confident69.3Low60 Ų6078.1 Ų78.136%0.36441%0.405SS..Hα-helixtrans-69.8-42.9179.7173.60000111.3L211 R212 I213 T217 A218 R219L211-V215 HydrophobicContact CG-CG2 4.44Å; L211-V215 WeakPolarHBondContact O-CG2 3.31Å; L211-V215 PolarHBondContact O-N 3.16Å; R212-V215 PolarHBondContact O-N 3.25Å; I213-V215 PolarHBondContact O-N 3.5Å; V215-T217 VanDerWaalsContact C-N 3.33Å; V215-T217 PolarHBondContact O-N 3.06Å; V215-A218 WeakPolarHBondContact O-CB 3.49Å; V215-A218 PolarHBondContact O-N 3.33Å; V215-R219 HydrophobicContact CG1-CG 4.49Å; V215-R219 WeakPolarHBondContact O-CG 3.46Å; V215-R219 PolarHBondContact O-N 3.02Å
216N77.5Confident66.9Low76 Ų7678.2 Ų78.241%0.40641%0.406SS..Hα-helixtrans-60.6-45177.9-77-4.5000110.8R212 I213 A218 R219 S220R212-N216 VanDerWaalsContact O-CB 3.23Å; R212-N216 WeakPolarHBondContact O-CB 3.16Å; R212-N216 PolarHBondContact O-N 3Å; I213-N216 PolarHBondContact O-N 3.42Å; N216-A218 VanDerWaalsContact C-N 3.35Å; N216-R219 PolarHBondContact O-N 3.35Å; N216-S220 WeakPolarHBondContact O-CB 3.3Å; N216-S220 PolarHBondContact O-N 3.09Å; N216-S220 PolarHBondContact O-OG 3.24Å
217T68.5Low64.8Low9 Ų981.7 Ų81.76%0.05543%0.434CS..Hα-helixtrans-71-30.6177.5-48.90000112.7H4 F5 I213 V215 G221H4-T217 HydrophobicContact CB-CG2 4.32Å; H4-T217 WeakPolarHBondContact ND1-CG2 3.47Å; F5-T217 HydrophobicContact CB-CG2 4Å; F5-T217 VanDerWaalsContact N-CG2 3.34Å; I213-T217 WeakPolarHBondContact O-CB 3.45Å; I213-T217 PolarHBondContact O-N 3.05Å; I213-T217 PolarHBondContact O-OG1 2.86Å; V215-T217 VanDerWaalsContact C-N 3.33Å; V215-T217 PolarHBondContact O-N 3.06Å; T217-G221 PolarHBondContact O-N 2.81Å
218A70.4Confident62.4Low44 Ų4485.4 Ų85.436%0.36446%0.46SS..Hα-helixtrans-63.3-41.4171.300000111.9A214 V215 N216 G221A214-A218 WeakPolarHBondContact O-CB 3.49Å; A214-A218 PolarHBondContact O-N 3.06Å; V215-A218 WeakPolarHBondContact O-CB 3.49Å; V215-A218 PolarHBondContact O-N 3.33Å; N216-A218 VanDerWaalsContact C-N 3.35Å; A218-G221 PolarHBondContact O-N 3.46Å
219R74.9Confident59.8Low189 Ų18981 Ų8171%0.71345%0.45SS*.Hα-helixtrans-71.4-40.7176.3-70.4179.7178.2-176.3-0.5112.8V215 N216 G221 E222V215-R219 HydrophobicContact CG1-CG 4.49Å; V215-R219 WeakPolarHBondContact O-CG 3.46Å; V215-R219 PolarHBondContact O-N 3.02Å; N216-R219 PolarHBondContact O-N 3.35Å; R219-G221 PolarHBondContact O-N 3.15Å; R219-E222 PolarHBondContact O-N 3.43Å
220S64.5Low57.5Low69 Ų6984 Ų8448%0.48347%0.466SS..Hα-helixtrans-68.2-12.3171.6-61.80000112.7N216 E222 V223N216-S220 WeakPolarHBondContact O-CB 3.3Å; N216-S220 PolarHBondContact O-N 3.09Å; N216-S220 PolarHBondContact O-OG 3.24Å; S220-E222 PolarHBondContact O-N 3.04Å; S220-V223 WeakPolarHBondContact O-CG2 3.48Å; S220-V223 PolarHBondContact O-N 3.19Å
221G51.5Low55.4Low25 Ų2587.8 Ų87.826%0.25849%0.492SS..THydrogen-bonded Turntrans-68.7-6.9172.100000114.3T217 A218 R219T217-G221 PolarHBondContact O-N 2.81Å; A218-G221 PolarHBondContact O-N 3.46Å; R219-G221 PolarHBondContact O-N 3.15Å
222E44Very low53.3Low175 Ų17588.2 Ų88.282%0.81849%0.494SS*.THydrogen-bonded Turntrans-92.2-4.3176.1-143.6165.5-166.600113.3R219 S220 N224R219-E222 PolarHBondContact O-N 3.43Å; S220-E222 PolarHBondContact O-N 3.04Å; E222-N224 PolarHBondContact O-N 3.12Å; E222-N224 VanDerWaalsContact O-N 3.11Å
223V45.4Very low51.3Low124 Ų12489.4 Ų89.475%0.75250%0.503SS*.SBendtrans-82.490.4164.8-79.60000110S220S220-V223 WeakPolarHBondContact O-CG2 3.48Å; S220-V223 PolarHBondContact O-N 3.19Å
224N32.5Very low49.5Very low126 Ų12694 Ų9467%0.67453%0.527SS*.  trans47.691.6164.7-81.8-14.5000117E222 D226E222-N224 PolarHBondContact O-N 3.12Å; E222-N224 VanDerWaalsContact O-N 3.11Å; N224-D226 HydrophobicContact CB-CB 4.37Å; N224-D226 PolarHBondContact ND2-OD2 2.97Å; N224-D226 PolarHBondContact O-N 3Å
225V36.1Very low47.8Very low116 Ų11697.7 Ų97.770%0.70355%0.551SS**  trans-62.267.6136.4-170.80000108.9C227V225-C227 HydrophobicContact CG1-CB 4.11Å; V225-C227 PolarHBondContact O-N 2.89Å
226D31.7Very low46.3Very low94 Ų94102.8 Ų102.850%0.50357%0.571SS.*  trans-88.148.1155.8-79.9-33000109.2N224 S228 C229N224-D226 HydrophobicContact CB-CB 4.37Å; N224-D226 PolarHBondContact ND2-OD2 2.97Å; N224-D226 PolarHBondContact O-N 3Å; D226-S228 PolarHBondContact O-N 3.42Å; D226-C229 HydrophobicContact CB-CB 4.17Å; D226-C229 PolarHBondContact O-N 3.23Å; D226-C229 VanDerWaalsContact O-N 3.17Å
227C34.2Very low45Very low104 Ų104107.7 Ų107.770%0.70359%0.591SS**Hα-helixtrans-67.9-6.7154.9-134.40000111V225V225-C227 HydrophobicContact CG1-CB 4.11Å; V225-C227 PolarHBondContact O-N 2.89Å
228S33.2Very low44.1Very low88 Ų88118.7 Ų118.762%0.61564%0.642SS**Hα-helixtrans-75.5-21.9165.8-64.80000113.5D226D226-S228 PolarHBondContact O-N 3.42Å
229C30Very low42.7Very low54 Ų54122.4 Ų122.437%0.36566%0.656SS.*Hα-helixtrans-88.9-22.7-177.2-146.50000113.6D226 C231 I232 F233D226-C229 HydrophobicContact CB-CB 4.17Å; D226-C229 PolarHBondContact O-N 3.23Å; D226-C229 VanDerWaalsContact O-N 3.17Å; C229-C231 PolarHBondContact O-N 3.26Å; C229-I232 WeakPolarHBondContact O-CB 3.46Å; C229-I232 PolarHBondContact O-N 3.26Å; C229-I232 VanDerWaalsContact O-N 3.07Å; C229-F233 PolarHBondContact O-N 3.45Å
230L32.6Very low41Very low123 Ų123118.9 Ų118.964%0.64465%0.653SS**Hα-helixtrans-68-27.7170.5-137.889.1000111.8I232 F233 L234L230-I232 VanDerWaalsContact C-N 3.35Å; L230-F233 PolarHBondContact O-N 3.06Å; L230-L234 PolarHBondContact O-N 3.37Å; L230-L234 VanDerWaalsContact O-N 3.08Å
231C35.7Very low39.7Very low91 Ų91121.7 Ų121.762%0.61566%0.662SS**Hα-helixtrans-69.5-31.5169.8-120.10000112.1C229 C235C229-C231 PolarHBondContact O-N 3.26Å; C231-C235 VanDerWaalsContact O-CB 3.32Å; C231-C235 WeakPolarHBondContact O-CB 3.15Å; C231-C235 PolarHBondContact O-N 3.24Å
232I39.7Very low39Very low99 Ų99127.4 Ų127.451%0.50869%0.686SS.*Hα-helixtrans-69.6-38.2172.7-65173.3000110.7C229 L230 L234 C235 Q236C229-I232 WeakPolarHBondContact O-CB 3.46Å; C229-I232 PolarHBondContact O-N 3.26Å; C229-I232 VanDerWaalsContact O-N 3.07Å; L230-I232 VanDerWaalsContact C-N 3.35Å; I232-L234 PolarHBondContact O-N 3.27Å; I232-C235 PolarHBondContact O-N 2.77Å; I232-Q236 PolarHBondContact O-N 2.99Å; I232-Q236 VanDerWaalsContact O-N 3.16Å
233F39.8Very low38.7Very low156 Ų156124.4 Ų124.468%0.68468%0.678SS**Hα-helixtrans-69.1-31175.9-94.9-77.6000113.8C229 L230C229-F233 PolarHBondContact O-N 3.45Å; L230-F233 PolarHBondContact O-N 3.06Å
234L39.9Very low38.3Very low134 Ų134124.4 Ų124.470%0.70267%0.673SS**Hα-helixtrans-77.9-25.3171.7-73.8171.7000112.9L230 I232L230-L234 PolarHBondContact O-N 3.37Å; L230-L234 VanDerWaalsContact O-N 3.08Å; I232-L234 PolarHBondContact O-N 3.27Å
235C41.8Very low38.7Very low95 Ų95124.3 Ų124.364%0.64267%0.673SS**Hα-helixtrans-82.4-16178.1-159.70000114C231 I232C231-C235 VanDerWaalsContact O-CB 3.32Å; C231-C235 WeakPolarHBondContact O-CB 3.15Å; C231-C235 PolarHBondContact O-N 3.24Å; I232-C235 PolarHBondContact O-N 2.77Å
236Q48.9Very low38.9Very low167 Ų167124.9 Ų124.978%0.7867%0.671SS**THydrogen-bonded Turntrans-96.19.7172.7-81.8-147.6-45.900114.7I232I232-Q236 PolarHBondContact O-N 2.99Å; I232-Q236 VanDerWaalsContact O-N 3.16Å
237Q50.5Low39.5Very low180 Ų180127.5 Ų127.584%0.84169%0.685SS**  trans-101.319.8168.5-72.1-123-32.200113.5
238Q47.8Very low40Very low239 Ų239129.6 Ų129.6100%1.11768%0.683SS**  trans-109.30157.2-82.7-173.3-29.200109.5

Retrieved 238 of 238 residues in 390.9 ms (Link to these results)

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