A0A3Q0KNE6_SCHMA Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A3Q0KNE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 257 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
1M61.6Low88.2Confident144 Ų14458 Ų5871%0.70932%0.32SS*.  099.10-100.1-83.6-172.800103.4Q23 K65M1-Q23 PolarHBondContact SD-OE1 3.07Å; M1-K65 PolarHBondContact SD-NZ 3.47Å
2D82.7Confident88.7Confident69 Ų6953.2 Ų53.237%0.36929%0.293SS..  trans-87.2141.5-152.8-46.1-24.6000109.6N100D2-N100 VanDerWaalsContact CA-OD1 3.23Å; D2-N100 WeakPolarHBondContact CA-OD1 3.42Å; D2-N100 HydrophobicContact CB-CB 4.44Å; D2-N100 WeakPolarHBondContact CB-OD1 3.34Å
3L90Very high89.1Confident3 Ų350.9 Ų50.92%0.01628%0.279CS..SBendtrans-85.20.6178.9-57-178.4000112.1V11 L12 I69 L72 F73 L96 K99 N100L3-V11 WeakPolarHBondContact O-CA 3.42Å; L3-L12 WeakPolarHBondContact O-CG 3.43Å; L3-L12 PolarHBondContact O-N 2.89Å; L3-I69 HydrophobicContact CD2-CD1 4.46Å; L3-I69 HydrophobicContact CD2-CG1 3.96Å; L3-L72 HydrophobicContact CD1-CD1 3.59Å; L3-F73 HydrophobicContact CD1-CE2 4.12Å; L3-L96 HydrophobicContact CB-CD1 3.66Å; L3-K99 HydrophobicContact CD1-CB 3.83Å; L3-K99 HydrophobicContact CD1-CG 4.05Å; L3-K99 HydrophobicContact CG-CB 4.39Å; L3-N100 PolarHBondContact N-OD1 3.21Å
4T91.7Very high89.4Confident47 Ų4753.5 Ų53.529%0.28828%0.282SS..BIsolated β-bridgetrans-96.6134.3177.943.60000112.3N10 L96 N100T4-N10 WeakPolarHBondContact CA-O 3.42Å; T4-L96 HydrophobicContact CG2-CD1 4.05Å; T4-L96 HydrophobicContact CG2-CD2 3.66Å; T4-L96 HydrophobicContact CG2-CG 3.96Å; T4-N100 WeakPolarHBondContact CG2-ND2 3.3Å; T4-N100 PolarHBondContact OG1-ND2 3.17Å
5C93.5Very high89.8Confident0 Ų049.9 Ų49.90%026%0.263CS..  trans-78.5126.6169.7-173.10000110.6I7 C8 L9 N10 L12 C25C5-I7 PolarHBondContact O-N 3.24Å; C5-C8 VanDerWaalsContact CB-SG 3.54Å; C5-L9 WeakPolarHBondContact O-CA 3.44Å; C5-L9 PolarHBondContact O-N 3.47Å; C5-N10 PolarHBondContact N-O 3.1Å; C5-L12 HydrophobicContact CB-CD2 3.69Å; C5-L12 HydrophobicContact CB-CG 4.38Å; C5-C25 VanDerWaalsContact CB-SG 3.53Å; C5-C25 PolarHBondContact SG-N 3Å
6S91.4Very high90.1Very high57 Ų5746.8 Ų46.840%0.39925%0.247SC..THydrogen-bonded Turntrans-72.7-6.7177.555.60000115.1F24 I42S6-F24 WeakPolarHBondContact OG-CE1 3.33Å; S6-I42 WeakPolarHBondContact OG-CD1 3.38Å
7I92.5Very high90.2Very high67 Ų6747.1 Ų47.134%0.34425%0.247SC..THydrogen-bonded Turntrans-91.5-55.2176.8-64165.4000110.5C5 F24 C28 A32 P41C5-I7 PolarHBondContact O-N 3.24Å; I7-F24 HydrophobicContact CD1-CB 4.31Å; I7-F24 HydrophobicContact CD1-CD1 3.32Å; I7-F24 HydrophobicContact CD1-CE1 3.83Å; I7-F24 HydrophobicContact CD1-CG 4.02Å; I7-F24 HydrophobicContact CG1-CD1 3.62Å; I7-F24 HydrophobicContact CG1-CE1 3.88Å; I7-C28 HydrophobicContact CB-CB 3.92Å; I7-C28 HydrophobicContact CD1-CB 3.72Å; I7-C28 HydrophobicContact CG1-CB 4.43Å; I7-C28 HydrophobicContact CG2-CB 3.93Å; I7-A32 HydrophobicContact CD1-CB 3.88Å; I7-P41 HydrophobicContact CD1-CG 4.23Å
8C92.3Very high90.3Very high46 Ų4644.8 Ų44.831%0.31123%0.234SC..THydrogen-bonded Turntrans-94.4-5.5-178.166.40000113.9C5 N10C5-C8 VanDerWaalsContact CB-SG 3.54Å; C8-N10 PolarHBondContact O-N 3.09Å; C8-N10 PolarHBondContact O-ND2 3.47Å
9L90.6Very high90.5Very high137 Ų13745.4 Ų45.472%0.71724%0.241SC*.SBendtrans57.316.6-178.1-53179.6000114.7C5C5-L9 WeakPolarHBondContact O-CA 3.44Å; C5-L9 PolarHBondContact O-N 3.47Å
10N90.8Very high90.6Very high68 Ų6844.2 Ų44.236%0.36424%0.236SC..SBendtrans-107.5172.9176.8-68.3-63.3000111T4 C5 C8 L12 Y76T4-N10 WeakPolarHBondContact CA-O 3.42Å; C5-N10 PolarHBondContact N-O 3.1Å; C8-N10 PolarHBondContact O-N 3.09Å; C8-N10 PolarHBondContact O-ND2 3.47Å; N10-L12 PolarHBondContact O-N 2.86Å; N10-Y76 WeakPolarHBondContact CB-OH 3.45Å
11V92.9Very high90.6Very high0 Ų047.9 Ų47.90%026%0.256CS..BIsolated β-bridgetrans-57.7135.5171.9172.90000109.9L3 F13 I69 F73 Y76 L88 L96L3-V11 WeakPolarHBondContact O-CA 3.42Å; V11-F13 PolarHBondContact O-N 3.39Å; V11-I69 HydrophobicContact CG1-CG2 3.38Å; V11-F73 HydrophobicContact CG1-CD2 3.97Å; V11-F73 HydrophobicContact CG2-CD2 4.27Å; V11-F73 HydrophobicContact CG2-CE2 4.36Å; V11-Y76 HydrophobicContact CB-CD1 3.88Å; V11-Y76 HydrophobicContact CB-CE1 3.49Å; V11-Y76 VanDerWaalsContact CB-CE1 3.49Å; V11-Y76 HydrophobicContact CB-CE2 4.37Å; V11-Y76 HydrophobicContact CB-CG 4.47Å; V11-Y76 HydrophobicContact CG1-CD1 3.92Å; V11-Y76 HydrophobicContact CG1-CE1 3.77Å; V11-Y76 WeakPolarHBondContact O-CE1 3.32Å; V11-Y76 PolarHBondContact O-OH 3.46Å; V11-L88 HydrophobicContact CG2-CD1 3.73Å; V11-L88 HydrophobicContact CG2-CD2 4.04Å; V11-L88 HydrophobicContact CG2-CG 4.45Å; V11-L96 HydrophobicContact CG2-CD1 3.89Å; V11-L96 HydrophobicContact CG2-CD2 3.54Å; V11-L96 HydrophobicContact CG2-CG 4.3Å
12L94Very high92.1Very high0 Ų043.5 Ų43.50%023%0.234CC..  trans-56.7121.5-178.1-75.4165.8000111.1L3 C5 N10 P15 Q23 F24 I69L3-L12 WeakPolarHBondContact O-CG 3.43Å; L3-L12 PolarHBondContact O-N 2.89Å; C5-L12 HydrophobicContact CB-CD2 3.69Å; C5-L12 HydrophobicContact CB-CG 4.38Å; N10-L12 PolarHBondContact O-N 2.86Å; L12-P15 HydrophobicContact CB-CB 4.18Å; L12-P15 HydrophobicContact CD1-CB 4.29Å; L12-Q23 HydrophobicContact CD1-CB 4.18Å; L12-F24 VanDerWaalsContact CD2-CA 3.5Å; L12-I69 HydrophobicContact CB-CD1 3.62Å; L12-I69 HydrophobicContact CD1-CD1 4.45Å
13F93.7Very high92.6Very high24 Ų2441 Ų4111%0.10522%0.22CC..SBendtrans-106.4122.7171.6-176.2-110.7000109.3V11 C25 K26 Y77 K80 E81V11-F13 PolarHBondContact O-N 3.39Å; F13-C25 PolarHBondContact N-SG 2.97Å; F13-C25 VanDerWaalsContact O-CA 3.25Å; F13-C25 WeakPolarHBondContact O-CA 3.34Å; F13-C25 VanDerWaalsContact O-CB 3.31Å; F13-C25 WeakPolarHBondContact O-CB 3.46Å; F13-K26 PolarHBondContact O-N 3.36Å; F13-Y77 HydrophobicContact CD2-CD2 4.1Å; F13-Y77 HydrophobicContact CD2-CE1 4.31Å; F13-Y77 AromaticContact CD2-CE2 3.67Å; F13-Y77 HydrophobicContact CD2-CE2 3.67Å; F13-Y77 AromaticContact CD2-CZ 3.78Å; F13-Y77 HydrophobicContact CE2-CD1 4.23Å; F13-Y77 HydrophobicContact CE2-CD2 4.43Å; F13-Y77 AromaticContact CE2-CE1 3.8Å; F13-Y77 HydrophobicContact CE2-CE1 3.8Å; F13-Y77 HydrophobicContact CE2-CE2 4.02Å; F13-Y77 AromaticContact CE2-CZ 3.67Å; F13-K80 HydrophobicContact CB-CG 4.02Å; F13-K80 HydrophobicContact CD1-CG 3.81Å; F13-K80 HydrophobicContact CD2-CB 3.73Å; F13-K80 HydrophobicContact CD2-CG 3.41Å; F13-K80 VanDerWaalsContact CD2-CG 3.41Å; F13-K80 HydrophobicContact CE1-CG 4.06Å; F13-K80 HydrophobicContact CE2-CB 3.74Å; F13-K80 HydrophobicContact CE2-CG 3.68Å; F13-K80 HydrophobicContact CG-CB 4.31Å; F13-K80 HydrophobicContact CG-CG 3.47Å; F13-K80 VanDerWaalsContact CG-CG 3.47Å; F13-K80 HydrophobicContact CZ-CB 4.32Å; F13-K80 HydrophobicContact CZ-CG 4Å; F13-E81 HydrophobicContact CE2-CG 3.83Å; F13-E81 HydrophobicContact CZ-CG 3.91Å
14R94Very high92.9Very high87 Ų8740.9 Ų40.933%0.32822%0.219SC..SBendtrans49.471.1-170.7-58-175.374.5131.43.4111.7V16 K26 D58 V61R14-V16 PolarHBondContact O-N 3.01Å; R14-K26 HydrophobicContact CB-CB 3.93Å; R14-K26 PolarHBondContact O-N 3.17Å; R14-D58 IonicContact CZ-OD1 3.87Å; R14-D58 IonicContact NE-OD1 3.27Å; R14-D58 IonicContact NH2-OD1 2.73Å; R14-D58 PolarHBondContact NH2-OD1 3.49Å; R14-V61 HydrophobicContact CB-CG1 4.06Å; R14-V61 HydrophobicContact CB-CG2 4.12Å
15P94.9Very high93Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-66120.1-17126.7-35000112.7L12 V61 S62 K65 E66 I69L12-P15 HydrophobicContact CB-CB 4.18Å; L12-P15 HydrophobicContact CD1-CB 4.29Å; P15-V61 WeakPolarHBondContact O-CA 3.38Å; P15-S62 PolarHBondContact O-N 3.2Å; P15-K65 HydrophobicContact CG-CB 3.96Å; P15-E66 HydrophobicContact CG-CB 4.14Å; P15-I69 HydrophobicContact CB-CD1 4.46Å; P15-I69 HydrophobicContact CG-CD1 4.12Å
16V94.4Very high93.1Very high0 Ų040.7 Ų40.70%022%0.215CC..EExtended strand (participates in β ladder)trans-98.3128.2174.4177.50000109.7R14 Q23 F24 K26 I29 W50 M57 A60 V61R14-V16 PolarHBondContact O-N 3.01Å; V16-Q23 WeakPolarHBondContact O-CA 3.37Å; V16-F24 PolarHBondContact N-O 3.38Å; V16-F24 PolarHBondContact O-N 3.48Å; V16-K26 HydrophobicContact CG2-CB 4.02Å; V16-K26 HydrophobicContact CG2-CG 4.37Å; V16-I29 HydrophobicContact CB-CG2 4.17Å; V16-I29 HydrophobicContact CG1-CG2 4.37Å; V16-I29 HydrophobicContact CG2-CG2 4.26Å; V16-W50 HydrophobicContact CG1-CH2 3.76Å; V16-W50 HydrophobicContact CG1-CZ2 3.93Å; V16-M57 HydrophobicContact CG1-CE 4.42Å; V16-A60 HydrophobicContact CG1-CB 3.94Å; V16-V61 HydrophobicContact CG2-CG2 4Å
17H92Very high93.2Very high52 Ų5241.7 Ų41.724%0.24122%0.216CC..EExtended strand (participates in β ladder)trans-93124174.4-70.677.5000110.7Q23 S62 K65H17-Q23 PolarHBondContact CE1-NE2 3.46Å; H17-Q23 PolarHBondContact NE2-NE2 3.22Å; H17-S62 WeakPolarHBondContact CE1-CB 3.49Å; H17-S62 PolarHBondContact CE1-OG 3.24Å; H17-S62 VanDerWaalsContact CE1-OG 3.25Å; H17-S62 WeakPolarHBondContact ND1-CB 3.28Å; H17-K65 VanDerWaalsContact CE1-CD 3.44Å; H17-K65 WeakPolarHBondContact CE1-CD 3.36Å; H17-K65 VanDerWaalsContact NE2-CD 3.34Å; H17-K65 WeakPolarHBondContact NE2-CD 3.48Å; H17-K65 WeakPolarHBondContact NE2-CE 3.47Å; H17-K65 PolarHBondContact NE2-NZ 3.32Å
18L92.9Very high93.3Very high5 Ų539.4 Ų39.43%0.02621%0.206CC..PPolyproline II helixtrans-83.1154.6172.5-7872.2000110.4C20 N21 H22 F24 I29 C40 L47L18-C20 VanDerWaalsContact CB-SG 3.59Å; L18-C20 PolarHBondContact O-N 3.1Å; L18-N21 PolarHBondContact O-N 3.35Å; L18-H22 PolarHBondContact N-O 3.01Å; L18-F24 HydrophobicContact CD1-CD2 3.48Å; L18-F24 VanDerWaalsContact CD1-CD2 3.48Å; L18-F24 HydrophobicContact CD1-CE2 3.84Å; L18-F24 HydrophobicContact CD2-CD2 4.32Å; L18-F24 HydrophobicContact CD2-CE2 3.91Å; L18-I29 HydrophobicContact CD1-CD1 4.22Å; L18-I29 HydrophobicContact CD1-CG1 4.23Å; L18-I29 HydrophobicContact CD2-CD1 4.1Å; L18-C40 HydrophobicContact CD2-CB 3.93Å; L18-L47 HydrophobicContact CB-CD2 4.17Å; L18-L47 HydrophobicContact CD2-CD1 3.34Å; L18-L47 HydrophobicContact CD2-CD2 3.72Å; L18-L47 HydrophobicContact CD2-CG 4.15Å; L18-L47 HydrophobicContact CG-CD1 4.21Å; L18-L47 HydrophobicContact CG-CD2 4.02Å
19P92.8Very high93.4Very high56 Ų5637.2 Ų37.236%0.36419%0.191SC..THydrogen-bonded Turntrans-60-16.4174.126.9-38.6000113.9N21 Y45 L47 W50P19-N21 VanDerWaalsContact C-N 3.3Å; P19-Y45 HydrophobicContact CB-CE1 4.15Å; P19-Y45 HydrophobicContact CG-CD1 4.1Å; P19-Y45 HydrophobicContact CG-CE1 3.61Å; P19-L47 HydrophobicContact CG-CD2 3.62Å; P19-W50 HydrophobicContact CG-CB 3.91Å; P19-W50 HydrophobicContact CG-CG 3.92Å
20C93.5Very high93.5Very high22 Ų2233.3 Ų33.315%0.14917%0.173CC..THydrogen-bonded Turntrans-90.314.517461.50000113.7L18 H22 C40 C43 Y45L18-C20 VanDerWaalsContact CB-SG 3.59Å; L18-C20 PolarHBondContact O-N 3.1Å; C20-H22 PolarHBondContact O-N 2.92Å; C20-H22 PolarHBondContact O-ND1 3.47Å; C20-H22 VanDerWaalsContact O-ND1 3.15Å; C20-H22 PolarHBondContact SG-ND1 3.25Å; C20-H22 VanDerWaalsContact SG-ND1 3.36Å; C20-C40 VanDerWaalsContact SG-SG 3.6Å; C20-C43 VanDerWaalsContact CB-SG 3.57Å; C20-Y45 HydrophobicContact CB-CD1 3.94Å; C20-Y45 HydrophobicContact CB-CD2 4.39Å; C20-Y45 HydrophobicContact CB-CG 3.74Å
21N91.3Very high93.7Very high122 Ų12235.8 Ų35.865%0.65218%0.182SC*.SBendtrans65.510.3179.5-56.3-30.8000116.2L18 P19L18-N21 PolarHBondContact O-N 3.35Å; P19-N21 VanDerWaalsContact C-N 3.3Å
22H93Very high93.7Very high51 Ų5136.4 Ų36.424%0.23619%0.188CC..  trans-87.5154.8171-64.394.8000111.1L18 C20 F24 I42 C43L18-H22 PolarHBondContact N-O 3.01Å; C20-H22 PolarHBondContact O-N 2.92Å; C20-H22 PolarHBondContact O-ND1 3.47Å; C20-H22 VanDerWaalsContact O-ND1 3.15Å; C20-H22 PolarHBondContact SG-ND1 3.25Å; C20-H22 VanDerWaalsContact SG-ND1 3.36Å; H22-F24 HydrophobicContact CB-CE2 3.79Å; H22-F24 HydrophobicContact CB-CZ 4.24Å; H22-I42 HydrophobicContact CB-CD1 4.04Å; H22-I42 WeakPolarHBondContact CD2-CD1 3.42Å; H22-I42 VanDerWaalsContact NE2-CG2 3.33Å; H22-I42 WeakPolarHBondContact NE2-CG2 3.32Å; H22-C43 VanDerWaalsContact CE1-CB 3.46Å; H22-C43 WeakPolarHBondContact CE1-CB 3.43Å; H22-C43 PolarHBondContact CE1-SG 2.92Å; H22-C43 PolarHBondContact ND1-SG 3.39Å; H22-C43 VanDerWaalsContact ND1-SG 3.37Å
23Q93.3Very high93.6Very high18 Ų1836.8 Ų36.88%0.08419%0.189CC..EExtended strand (participates in β ladder)trans-130.7141.9-174.6-56.7-174.6-101.600112.3M1 L12 V16 H17M1-Q23 PolarHBondContact SD-OE1 3.07Å; L12-Q23 HydrophobicContact CD1-CB 4.18Å; V16-Q23 WeakPolarHBondContact O-CA 3.37Å; H17-Q23 PolarHBondContact CE1-NE2 3.46Å; H17-Q23 PolarHBondContact NE2-NE2 3.22Å
24F95.1Very high93.4Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-147163.3179.7-54.6-91.6000110.6S6 I7 L12 V16 L18 H22 I29 P41 I42S6-F24 WeakPolarHBondContact OG-CE1 3.33Å; I7-F24 HydrophobicContact CD1-CB 4.31Å; I7-F24 HydrophobicContact CD1-CD1 3.32Å; I7-F24 HydrophobicContact CD1-CE1 3.83Å; I7-F24 HydrophobicContact CD1-CG 4.02Å; I7-F24 HydrophobicContact CG1-CD1 3.62Å; I7-F24 HydrophobicContact CG1-CE1 3.88Å; L12-F24 VanDerWaalsContact CD2-CA 3.5Å; V16-F24 PolarHBondContact N-O 3.38Å; V16-F24 PolarHBondContact O-N 3.48Å; L18-F24 HydrophobicContact CD1-CD2 3.48Å; L18-F24 VanDerWaalsContact CD1-CD2 3.48Å; L18-F24 HydrophobicContact CD1-CE2 3.84Å; L18-F24 HydrophobicContact CD2-CD2 4.32Å; L18-F24 HydrophobicContact CD2-CE2 3.91Å; H22-F24 HydrophobicContact CB-CE2 3.79Å; H22-F24 HydrophobicContact CB-CZ 4.24Å; F24-I29 HydrophobicContact CB-CB 4.05Å; F24-I29 HydrophobicContact CD2-CD1 4.07Å; F24-I29 HydrophobicContact CE2-CD1 4.43Å; F24-I29 HydrophobicContact CG-CD1 4.48Å; F24-P41 HydrophobicContact CE1-CB 4.14Å; F24-P41 HydrophobicContact CE1-CG 4.04Å; F24-P41 HydrophobicContact CZ-CB 4.17Å; F24-P41 HydrophobicContact CZ-CG 4.01Å; F24-I42 HydrophobicContact CE1-CD1 4Å; F24-I42 HydrophobicContact CE1-CG1 4.19Å; F24-I42 HydrophobicContact CE2-CD1 4.5Å; F24-I42 HydrophobicContact CZ-CD1 3.61Å; F24-I42 HydrophobicContact CZ-CG1 3.82Å
25C94.9Very high93.2Very high6 Ų645.9 Ų45.94%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-63.9144.2167.3-530000109.7C5 F13 D27 C28 I29C5-C25 VanDerWaalsContact CB-SG 3.53Å; C5-C25 PolarHBondContact SG-N 3Å; F13-C25 PolarHBondContact N-SG 2.97Å; F13-C25 VanDerWaalsContact O-CA 3.25Å; F13-C25 WeakPolarHBondContact O-CA 3.34Å; F13-C25 VanDerWaalsContact O-CB 3.31Å; F13-C25 WeakPolarHBondContact O-CB 3.46Å; C25-D27 VanDerWaalsContact C-N 3.3Å; C25-D27 PolarHBondContact O-N 2.95Å; C25-C28 HydrophobicContact CB-CB 3.95Å; C25-C28 WeakPolarHBondContact O-CB 3.47Å; C25-C28 PolarHBondContact O-N 3.16Å; C25-C28 VanDerWaalsContact O-N 3.1Å; C25-I29 PolarHBondContact O-N 3.19Å
26K94.5Very high92.9Very high36 Ų3647.2 Ų47.216%0.15725%0.245CC..Hα-helixtrans-47.3-52.3176.4-177.1-165.4173.4-167.90112F13 R14 V16 C28 I29 V30 M57 D58F13-K26 PolarHBondContact O-N 3.36Å; R14-K26 HydrophobicContact CB-CB 3.93Å; R14-K26 PolarHBondContact O-N 3.17Å; V16-K26 HydrophobicContact CG2-CB 4.02Å; V16-K26 HydrophobicContact CG2-CG 4.37Å; K26-C28 VanDerWaalsContact C-N 3.35Å; K26-C28 PolarHBondContact O-N 2.89Å; K26-I29 WeakPolarHBondContact O-CG2 3.47Å; K26-I29 PolarHBondContact O-N 2.7Å; K26-V30 VanDerWaalsContact O-CG2 3.28Å; K26-V30 WeakPolarHBondContact O-CG2 3.3Å; K26-V30 PolarHBondContact O-N 2.92Å; K26-V30 VanDerWaalsContact O-N 3.08Å; K26-M57 HydrophobicContact CG-CB 4.3Å; K26-D58 VanDerWaalsContact CE-OD1 3.27Å; K26-D58 WeakPolarHBondContact CE-OD1 3.38Å; K26-D58 IonicContact NZ-OD1 2.69Å; K26-D58 PolarHBondContact NZ-OD1 3.44Å; K26-D58 IonicContact NZ-OD2 3.72Å; K26-D58 PolarHBondContact NZ-OD2 2.87Å
27D93.7Very high92.6Very high79 Ų7950.3 Ų50.342%0.42227%0.271SS..Hα-helixtrans-67.7-37.6-176.6-56.1-35.2000112C25 V30 Q31C25-D27 VanDerWaalsContact C-N 3.3Å; C25-D27 PolarHBondContact O-N 2.95Å; D27-V30 PolarHBondContact O-N 3.44Å; D27-Q31 WeakPolarHBondContact O-CB 3.18Å; D27-Q31 VanDerWaalsContact O-CG 3.28Å; D27-Q31 WeakPolarHBondContact O-CG 3.48Å; D27-Q31 PolarHBondContact O-N 3.48Å
28C95.1Very high92.6Very high18 Ų1853 Ų5312%0.12228%0.28CS..Hα-helixtrans-64.7-43.7178.7-68.30000111.7I7 C25 K26 A32I7-C28 HydrophobicContact CB-CB 3.92Å; I7-C28 HydrophobicContact CD1-CB 3.72Å; I7-C28 HydrophobicContact CG1-CB 4.43Å; I7-C28 HydrophobicContact CG2-CB 3.93Å; C25-C28 HydrophobicContact CB-CB 3.95Å; C25-C28 WeakPolarHBondContact O-CB 3.47Å; C25-C28 PolarHBondContact O-N 3.16Å; C25-C28 VanDerWaalsContact O-N 3.1Å; K26-C28 VanDerWaalsContact C-N 3.35Å; K26-C28 PolarHBondContact O-N 2.89Å; C28-A32 VanDerWaalsContact O-CB 3.26Å; C28-A32 WeakPolarHBondContact O-CB 3.34Å; C28-A32 PolarHBondContact O-N 2.99Å
29I94.3Very high92.7Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-70.7-38.9179.1-170.661.1000111.6V16 L18 F24 C25 K26 Q31 A32 L33 M57V16-I29 HydrophobicContact CB-CG2 4.17Å; V16-I29 HydrophobicContact CG1-CG2 4.37Å; V16-I29 HydrophobicContact CG2-CG2 4.26Å; L18-I29 HydrophobicContact CD1-CD1 4.22Å; L18-I29 HydrophobicContact CD1-CG1 4.23Å; L18-I29 HydrophobicContact CD2-CD1 4.1Å; F24-I29 HydrophobicContact CB-CB 4.05Å; F24-I29 HydrophobicContact CD2-CD1 4.07Å; F24-I29 HydrophobicContact CE2-CD1 4.43Å; F24-I29 HydrophobicContact CG-CD1 4.48Å; C25-I29 PolarHBondContact O-N 3.19Å; K26-I29 WeakPolarHBondContact O-CG2 3.47Å; K26-I29 PolarHBondContact O-N 2.7Å; I29-Q31 VanDerWaalsContact C-N 3.32Å; I29-Q31 PolarHBondContact O-N 3.44Å; I29-A32 PolarHBondContact O-N 2.91Å; I29-L33 HydrophobicContact CD1-CD2 4.32Å; I29-L33 HydrophobicContact CD1-CG 4.1Å; I29-L33 HydrophobicContact CG1-CD1 4.05Å; I29-L33 HydrophobicContact CG1-CG 4.11Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.47Å; I29-L33 PolarHBondContact O-N 3.38Å; I29-M57 HydrophobicContact CG2-CE 3.53Å
30V92.9Very high92.8Very high56 Ų5653.3 Ų53.334%0.33928%0.276SS..Hα-helixtrans-59.1-46.7176.1171.20000110.5K26 D27 N34 M57K26-V30 VanDerWaalsContact O-CG2 3.28Å; K26-V30 WeakPolarHBondContact O-CG2 3.3Å; K26-V30 PolarHBondContact O-N 2.92Å; K26-V30 VanDerWaalsContact O-N 3.08Å; D27-V30 PolarHBondContact O-N 3.44Å; V30-N34 PolarHBondContact O-ND2 3.02Å; V30-M57 HydrophobicContact CG2-CB 4.26Å; V30-M57 HydrophobicContact CG2-CE 3.79Å; V30-M57 HydrophobicContact CG2-CG 3.81Å
31Q93.5Very high92.8Very high119 Ų11953.9 Ų53.956%0.55628%0.28SS*.Hα-helixtrans-63.6-46.6175.6-69.5175.525.600111.5D27 I29 L33 N34 F35D27-Q31 WeakPolarHBondContact O-CB 3.18Å; D27-Q31 VanDerWaalsContact O-CG 3.28Å; D27-Q31 WeakPolarHBondContact O-CG 3.48Å; D27-Q31 PolarHBondContact O-N 3.48Å; I29-Q31 VanDerWaalsContact C-N 3.32Å; I29-Q31 PolarHBondContact O-N 3.44Å; Q31-L33 VanDerWaalsContact C-N 3.35Å; Q31-L33 PolarHBondContact O-N 3.3Å; Q31-N34 WeakPolarHBondContact O-CB 3.43Å; Q31-N34 PolarHBondContact O-N 3.32Å; Q31-F35 WeakPolarHBondContact O-CD2 3.43Å; Q31-F35 WeakPolarHBondContact O-CE2 3.4Å
32A94Very high92.8Very high14 Ų1452.1 Ų52.112%0.11627%0.269CS..Hα-helixtrans-61.6-40.5-178.400000112.7I7 C28 I29 N34 F35 T36 P41I7-A32 HydrophobicContact CD1-CB 3.88Å; C28-A32 VanDerWaalsContact O-CB 3.26Å; C28-A32 WeakPolarHBondContact O-CB 3.34Å; C28-A32 PolarHBondContact O-N 2.99Å; I29-A32 PolarHBondContact O-N 2.91Å; A32-N34 PolarHBondContact O-N 3.25Å; A32-F35 PolarHBondContact O-N 3.45Å; A32-T36 WeakPolarHBondContact O-CG2 3.4Å; A32-T36 PolarHBondContact O-N 3.45Å; A32-T36 PolarHBondContact O-OG1 2.99Å; A32-T36 VanDerWaalsContact O-OG1 3.07Å; A32-P41 HydrophobicContact CB-CG 3.95Å
33L91.6Very high92.8Very high7 Ų752.4 Ų52.44%0.03728%0.276CS..Hα-helixtrans-61.5-30-179.7-71.1172.5000113.1I29 Q31 F35 Y38 L47 L51I29-L33 HydrophobicContact CD1-CD2 4.32Å; I29-L33 HydrophobicContact CD1-CG 4.1Å; I29-L33 HydrophobicContact CG1-CD1 4.05Å; I29-L33 HydrophobicContact CG1-CG 4.11Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.47Å; I29-L33 PolarHBondContact O-N 3.38Å; Q31-L33 VanDerWaalsContact C-N 3.35Å; Q31-L33 PolarHBondContact O-N 3.3Å; L33-F35 VanDerWaalsContact C-N 3.26Å; L33-F35 PolarHBondContact O-N 3.26Å; L33-Y38 HydrophobicContact CB-CD1 4.48Å; L33-Y38 PolarHBondContact O-N 3.21Å; L33-L47 HydrophobicContact CD2-CB 4.28Å; L33-L47 HydrophobicContact CD2-CD1 3.56Å; L33-L51 HydrophobicContact CD1-CD1 4.48Å
34N89.2Confident92.8Very high121 Ų12158.8 Ų58.865%0.64730%0.3SS*.Hα-helixtrans-65.7-30.4175.2-65.3-27.7000112V30 Q31 A32V30-N34 PolarHBondContact O-ND2 3.02Å; Q31-N34 WeakPolarHBondContact O-CB 3.43Å; Q31-N34 PolarHBondContact O-N 3.32Å; A32-N34 PolarHBondContact O-N 3.25Å
35F90Very high92.8Very high182 Ų18264.7 Ų64.780%0.79832%0.323SS*.Hα-helixtrans-97.5-29.8-178.8-58.7-70.7000113.5Q31 A32 L33 A37Q31-F35 WeakPolarHBondContact O-CD2 3.43Å; Q31-F35 WeakPolarHBondContact O-CE2 3.4Å; A32-F35 PolarHBondContact O-N 3.45Å; L33-F35 VanDerWaalsContact C-N 3.26Å; L33-F35 PolarHBondContact O-N 3.26Å; F35-A37 PolarHBondContact O-N 2.9Å
36T88.4Confident92.7Very high27 Ų2771.1 Ų71.117%0.16635%0.346CS..THydrogen-bonded Turntrans-93.114.6-171.864.10000114.5A32 Y38 Q39A32-T36 WeakPolarHBondContact O-CG2 3.4Å; A32-T36 PolarHBondContact O-N 3.45Å; A32-T36 PolarHBondContact O-OG1 2.99Å; A32-T36 VanDerWaalsContact O-OG1 3.07Å; T36-Y38 PolarHBondContact O-N 2.86Å; T36-Q39 WeakPolarHBondContact CB-O 3.45Å; T36-Q39 WeakPolarHBondContact O-CB 3.45Å; T36-Q39 WeakPolarHBondContact O-CG 3.45Å; T36-Q39 PolarHBondContact O-N 3.24Å; T36-Q39 VanDerWaalsContact O-N 3.14Å; T36-Q39 PolarHBondContact OG1-N 2.93Å; T36-Q39 PolarHBondContact OG1-O 3.42Å
37A89.5Confident92.7Very high65 Ų6569.4 Ų69.454%0.53734%0.339SS..THydrogen-bonded Turntrans50.942-176.200000112.9F35F35-A37 PolarHBondContact O-N 2.9Å
38Y91.5Very high92.7Very high108 Ų10866.1 Ų66.142%0.42432%0.322SS..SBendtrans62.743.3-177.2-46.5-78.4000114.4L33 T36 L47 L51L33-Y38 HydrophobicContact CB-CD1 4.48Å; L33-Y38 PolarHBondContact O-N 3.21Å; T36-Y38 PolarHBondContact O-N 2.86Å; Y38-L47 WeakPolarHBondContact O-CB 3.24Å; Y38-L47 PolarHBondContact O-N 3.34Å; Y38-L51 HydrophobicContact CD1-CD2 3.52Å; Y38-L51 HydrophobicContact CE1-CD2 3.57Å
39Q94.7Very high92.6Very high68 Ų6870 Ų7032%0.31834%0.342SS..BIsolated β-bridgetrans-118.1150.6175.1-63.5178.7-10.200112.2T36 Y45T36-Q39 WeakPolarHBondContact CB-O 3.45Å; T36-Q39 WeakPolarHBondContact O-CB 3.45Å; T36-Q39 WeakPolarHBondContact O-CG 3.45Å; T36-Q39 PolarHBondContact O-N 3.24Å; T36-Q39 VanDerWaalsContact O-N 3.14Å; T36-Q39 PolarHBondContact OG1-N 2.93Å; T36-Q39 PolarHBondContact OG1-O 3.42Å; Q39-Y45 CarbonylContact C-O 3.56Å; Q39-Y45 WeakPolarHBondContact CA-O 3.48Å
40C94.5Very high92.5Very high0 Ų072.1 Ų72.10%035%0.35CS..  trans-63.3128.8172.5179.70000110.6L18 C20 I42 C43 R44 Y45 L47L18-C40 HydrophobicContact CD2-CB 3.93Å; C20-C40 VanDerWaalsContact SG-SG 3.6Å; C40-I42 PolarHBondContact O-N 3.4Å; C40-C43 VanDerWaalsContact SG-SG 3.66Å; C40-R44 WeakPolarHBondContact O-CA 3.32Å; C40-R44 PolarHBondContact O-N 2.98Å; C40-Y45 PolarHBondContact N-O 2.67Å; C40-L47 HydrophobicContact CB-CD1 4.29Å
41P93Very high92.4Very high34 Ų3471.8 Ų71.822%0.22135%0.346CS..THydrogen-bonded Turntrans-59.2-29178.1-27.836.1000114.8I7 F24 A32I7-P41 HydrophobicContact CD1-CG 4.23Å; F24-P41 HydrophobicContact CE1-CB 4.14Å; F24-P41 HydrophobicContact CE1-CG 4.04Å; F24-P41 HydrophobicContact CZ-CB 4.17Å; F24-P41 HydrophobicContact CZ-CG 4.01Å; A32-P41 HydrophobicContact CB-CG 3.95Å
42I92.2Very high92.3Very high85 Ų8574.8 Ų74.844%0.43635%0.352SS..THydrogen-bonded Turntrans-87.8-61.2-176.9-60.8166.3000110.9S6 H22 F24 C40S6-I42 WeakPolarHBondContact OG-CD1 3.38Å; H22-I42 HydrophobicContact CB-CD1 4.04Å; H22-I42 WeakPolarHBondContact CD2-CD1 3.42Å; H22-I42 VanDerWaalsContact NE2-CG2 3.33Å; H22-I42 WeakPolarHBondContact NE2-CG2 3.32Å; F24-I42 HydrophobicContact CE1-CD1 4Å; F24-I42 HydrophobicContact CE1-CG1 4.19Å; F24-I42 HydrophobicContact CE2-CD1 4.5Å; F24-I42 HydrophobicContact CZ-CD1 3.61Å; F24-I42 HydrophobicContact CZ-CG1 3.82Å; C40-I42 PolarHBondContact O-N 3.4Å
43C94.1Very high92.2Very high57 Ų5784.4 Ų84.439%0.38539%0.385SS..THydrogen-bonded Turntrans-102.61.7-171.666.90000115.2C20 H22 C40 Y45C20-C43 VanDerWaalsContact CB-SG 3.57Å; H22-C43 VanDerWaalsContact CE1-CB 3.46Å; H22-C43 WeakPolarHBondContact CE1-CB 3.43Å; H22-C43 PolarHBondContact CE1-SG 2.92Å; H22-C43 PolarHBondContact ND1-SG 3.39Å; H22-C43 VanDerWaalsContact ND1-SG 3.37Å; C40-C43 VanDerWaalsContact SG-SG 3.66Å; C43-Y45 PolarHBondContact O-N 3.4Å; C43-Y45 VanDerWaalsContact SG-CB 3.52Å
44R92.5Very high92.1Very high153 Ų15385.3 Ų85.358%0.57739%0.391SS*.  trans59.613.1-178-49.6-61.2178.7170.2-2.6115.4C40 R46C40-R44 WeakPolarHBondContact O-CA 3.32Å; C40-R44 PolarHBondContact O-N 2.98Å; R44-R46 PolarHBondContact O-N 2.71Å
45Y93.9Very high91.8Very high123 Ų12389 Ų8948%0.48240%0.401SS..  trans-57.6136.5174.1-177.3-94000111.5P19 C20 Q39 C40 C43 L47P19-Y45 HydrophobicContact CB-CE1 4.15Å; P19-Y45 HydrophobicContact CG-CD1 4.1Å; P19-Y45 HydrophobicContact CG-CE1 3.61Å; C20-Y45 HydrophobicContact CB-CD1 3.94Å; C20-Y45 HydrophobicContact CB-CD2 4.39Å; C20-Y45 HydrophobicContact CB-CG 3.74Å; Q39-Y45 CarbonylContact C-O 3.56Å; Q39-Y45 WeakPolarHBondContact CA-O 3.48Å; C40-Y45 PolarHBondContact N-O 2.67Å; C43-Y45 PolarHBondContact O-N 3.4Å; C43-Y45 VanDerWaalsContact SG-CB 3.52Å; Y45-L47 HydrophobicContact CD1-CD2 3.86Å; Y45-L47 HydrophobicContact CE1-CD2 4.38Å
46R94.7Very high91.7Very high142 Ų14285.3 Ų85.354%0.53639%0.39SS..BIsolated β-bridgetrans-78.6121.6-177.1-178.8164.917872.2-3.1112R44 S48R44-R46 PolarHBondContact O-N 2.71Å; R46-S48 VanDerWaalsContact CZ-OG 3.26Å; R46-S48 PolarHBondContact NE-OG 2.98Å; R46-S48 PolarHBondContact NH2-OG 2.7Å
47L94.2Very high91.7Very high0 Ų085.4 Ų85.40%039%0.389CS..  trans-102-2.1-172.4-59.3165.9000113.8L18 P19 L33 Y38 C40 Y45 N49 W50 L51L18-L47 HydrophobicContact CB-CD2 4.17Å; L18-L47 HydrophobicContact CD2-CD1 3.34Å; L18-L47 HydrophobicContact CD2-CD2 3.72Å; L18-L47 HydrophobicContact CD2-CG 4.15Å; L18-L47 HydrophobicContact CG-CD1 4.21Å; L18-L47 HydrophobicContact CG-CD2 4.02Å; P19-L47 HydrophobicContact CG-CD2 3.62Å; L33-L47 HydrophobicContact CD2-CB 4.28Å; L33-L47 HydrophobicContact CD2-CD1 3.56Å; Y38-L47 WeakPolarHBondContact O-CB 3.24Å; Y38-L47 PolarHBondContact O-N 3.34Å; C40-L47 HydrophobicContact CB-CD1 4.29Å; Y45-L47 HydrophobicContact CD1-CD2 3.86Å; Y45-L47 HydrophobicContact CE1-CD2 4.38Å; L47-N49 VanDerWaalsContact C-N 3.27Å; L47-N49 PolarHBondContact O-N 3.01Å; L47-W50 HydrophobicContact CB-CE3 4.3Å; L47-W50 WeakPolarHBondContact O-CB 3.45Å; L47-W50 PolarHBondContact O-N 3.41Å; L47-L51 PolarHBondContact O-N 3.42Å
48S92.2Very high91.7Very high10 Ų1085.8 Ų85.87%0.0738%0.382CS..Hα-helixtrans-56.1-37.6-176.563.90000114R46 R52R46-S48 VanDerWaalsContact CZ-OG 3.26Å; R46-S48 PolarHBondContact NE-OG 2.98Å; R46-S48 PolarHBondContact NH2-OG 2.7Å; S48-R52 PolarHBondContact O-N 3.28Å
49N93Very high91.6Very high100 Ų10085.4 Ų85.454%0.53540%0.395SS..Hα-helixtrans-71.4-37.9177.7-77.2-19000112.2L47 R52 R53L47-N49 VanDerWaalsContact C-N 3.27Å; L47-N49 PolarHBondContact O-N 3.01Å; N49-R52 PolarHBondContact OD1-NH2 2.92Å; N49-R53 WeakPolarHBondContact O-CG 3.42Å
50W93.2Very high91.4Very high43 Ų4383 Ų8316%0.16339%0.387CS..Hα-helixtrans-68.5-45.4177.5170.482.6000110.7V16 P19 L47 R52 R53 V54 M57 A60V16-W50 HydrophobicContact CG1-CH2 3.76Å; V16-W50 HydrophobicContact CG1-CZ2 3.93Å; P19-W50 HydrophobicContact CG-CB 3.91Å; P19-W50 HydrophobicContact CG-CG 3.92Å; L47-W50 HydrophobicContact CB-CE3 4.3Å; L47-W50 WeakPolarHBondContact O-CB 3.45Å; L47-W50 PolarHBondContact O-N 3.41Å; W50-R52 VanDerWaalsContact C-N 3.26Å; W50-R52 PolarHBondContact O-N 3.2Å; W50-R53 WeakPolarHBondContact O-CB 3.37Å; W50-R53 PolarHBondContact O-N 3.05Å; W50-V54 HydrophobicContact CD2-CG2 4.08Å; W50-V54 HydrophobicContact CG-CG2 4.46Å; W50-V54 HydrophobicContact CH2-CG2 4.5Å; W50-V54 HydrophobicContact CZ2-CG2 3.95Å; W50-V54 WeakPolarHBondContact O-CG2 3.06Å; W50-V54 PolarHBondContact O-N 3.37Å; W50-V54 VanDerWaalsContact O-N 3.1Å; W50-M57 HydrophobicContact CH2-CE 4.12Å; W50-M57 HydrophobicContact CH2-SD 4.21Å; W50-M57 HydrophobicContact CZ3-CE 4.48Å; W50-M57 HydrophobicContact CZ3-SD 4.41Å; W50-A60 HydrophobicContact CH2-CB 4.29Å; W50-A60 HydrophobicContact CZ2-CB 3.84Å
51L91.3Very high91.3Very high50 Ų5084.1 Ų84.126%0.26239%0.394SS..Hα-helixtrans-60.9-34.3178.5-170.163.4000112.6L33 Y38 L47 R53 V54 M57L33-L51 HydrophobicContact CD1-CD1 4.48Å; Y38-L51 HydrophobicContact CD1-CD2 3.52Å; Y38-L51 HydrophobicContact CE1-CD2 3.57Å; L47-L51 PolarHBondContact O-N 3.42Å; L51-R53 VanDerWaalsContact C-N 3.26Å; L51-R53 PolarHBondContact O-N 3.33Å; L51-V54 PolarHBondContact O-N 3Å; L51-V54 VanDerWaalsContact O-O 3.07Å; L51-M57 HydrophobicContact CD1-SD 3.98Å
52R91.2Very high91.3Very high181 Ų18184 Ų8468%0.68339%0.393SS*.Hα-helixtrans-65.4-25.3172.9-83.4-169.1-75.5-1036.3114.5S48 N49 W50S48-R52 PolarHBondContact O-N 3.28Å; N49-R52 PolarHBondContact OD1-NH2 2.92Å; W50-R52 VanDerWaalsContact C-N 3.26Å; W50-R52 PolarHBondContact O-N 3.2Å
53R91.1Very high91.3Very high216 Ų21686.7 Ų86.782%0.81540%0.404SS*.Hα-helixtrans-88.5-30.1-179.8-67.2176.5-179.3178.7-0.5111.9N49 W50 L51 K55N49-R53 WeakPolarHBondContact O-CG 3.42Å; W50-R53 WeakPolarHBondContact O-CB 3.37Å; W50-R53 PolarHBondContact O-N 3.05Å; L51-R53 VanDerWaalsContact C-N 3.26Å; L51-R53 PolarHBondContact O-N 3.33Å; R53-K55 PolarHBondContact O-N 3.3Å
54V89.6Confident91.2Very high27 Ų2788.6 Ų88.616%0.16442%0.418CS..  trans-77.7113.3176.9177.10000108.2W50 L51 D56 M57 A60W50-V54 HydrophobicContact CD2-CG2 4.08Å; W50-V54 HydrophobicContact CG-CG2 4.46Å; W50-V54 HydrophobicContact CH2-CG2 4.5Å; W50-V54 HydrophobicContact CZ2-CG2 3.95Å; W50-V54 WeakPolarHBondContact O-CG2 3.06Å; W50-V54 PolarHBondContact O-N 3.37Å; W50-V54 VanDerWaalsContact O-N 3.1Å; L51-V54 PolarHBondContact O-N 3Å; L51-V54 VanDerWaalsContact O-O 3.07Å; V54-D56 WeakPolarHBondContact CG1-O 3.43Å; V54-M57 HydrophobicContact CG1-SD 4.38Å; V54-A60 HydrophobicContact CG1-CB 3.91Å; V54-A60 HydrophobicContact CG2-CB 4.27Å
55K82.4Confident91.2Very high197 Ų19782.9 Ų82.986%0.85740%0.397SS*.SBendtrans-68-50176.5-66.2-179179.7-179.80110.9R53R53-K55 PolarHBondContact O-N 3.3Å
56D88.7Confident91.2Very high106 Ų10678.1 Ų78.157%0.56738%0.38SS*.  trans-130.6138.6-180-61-47.6000109.7V54 D58 S59V54-D56 WeakPolarHBondContact CG1-O 3.43Å; D56-D58 PolarHBondContact O-N 3.41Å; D56-D58 VanDerWaalsContact O-N 3.14Å; D56-S59 WeakPolarHBondContact O-CB 3.49Å; D56-S59 PolarHBondContact O-N 3.25Å
57M88.5Confident91.1Very high29 Ų2974.9 Ų74.914%0.14337%0.373CS..G310 helixtrans-61.5-22.8177.1-70.5-65.5-70.400112.4V16 K26 I29 V30 W50 L51 V54 S59 A60V16-M57 HydrophobicContact CG1-CE 4.42Å; K26-M57 HydrophobicContact CG-CB 4.3Å; I29-M57 HydrophobicContact CG2-CE 3.53Å; V30-M57 HydrophobicContact CG2-CB 4.26Å; V30-M57 HydrophobicContact CG2-CE 3.79Å; V30-M57 HydrophobicContact CG2-CG 3.81Å; W50-M57 HydrophobicContact CH2-CE 4.12Å; W50-M57 HydrophobicContact CH2-SD 4.21Å; W50-M57 HydrophobicContact CZ3-CE 4.48Å; W50-M57 HydrophobicContact CZ3-SD 4.41Å; L51-M57 HydrophobicContact CD1-SD 3.98Å; V54-M57 HydrophobicContact CG1-SD 4.38Å; M57-S59 VanDerWaalsContact C-N 3.33Å; M57-A60 PolarHBondContact O-N 2.98Å
58D88.5Confident91.1Very high73 Ų7378.7 Ų78.739%0.3939%0.391SS..G310 helixtrans-62.4-37.1171.2-72.2-59.8000113R14 K26 D56 A60 V61R14-D58 IonicContact CZ-OD1 3.87Å; R14-D58 IonicContact NE-OD1 3.27Å; R14-D58 IonicContact NH2-OD1 2.73Å; R14-D58 PolarHBondContact NH2-OD1 3.49Å; K26-D58 VanDerWaalsContact CE-OD1 3.27Å; K26-D58 WeakPolarHBondContact CE-OD1 3.38Å; K26-D58 IonicContact NZ-OD1 2.69Å; K26-D58 PolarHBondContact NZ-OD1 3.44Å; K26-D58 IonicContact NZ-OD2 3.72Å; K26-D58 PolarHBondContact NZ-OD2 2.87Å; D56-D58 PolarHBondContact O-N 3.41Å; D56-D58 VanDerWaalsContact O-N 3.14Å; D58-A60 PolarHBondContact O-N 2.93Å; D58-V61 WeakPolarHBondContact O-CB 3.41Å; D58-V61 WeakPolarHBondContact O-CG2 3.34Å; D58-V61 PolarHBondContact O-N 3.45Å
59S89.2Confident91.1Very high100 Ų10078.2 Ų78.270%0.69939%0.388SS*.G310 helixtrans-71.7-16.3176.7-179.20000113D56 M57D56-S59 WeakPolarHBondContact O-CB 3.49Å; D56-S59 PolarHBondContact O-N 3.25Å; M57-S59 VanDerWaalsContact C-N 3.33Å
60A90.7Very high91.1Very high17 Ų1777 Ų7714%0.1438%0.375CS..G310 helixtrans-89.9-3.4178.100000113.1V16 W50 V54 M57 D58V16-A60 HydrophobicContact CG1-CB 3.94Å; W50-A60 HydrophobicContact CH2-CB 4.29Å; W50-A60 HydrophobicContact CZ2-CB 3.84Å; V54-A60 HydrophobicContact CG1-CB 3.91Å; V54-A60 HydrophobicContact CG2-CB 4.27Å; M57-A60 PolarHBondContact O-N 2.98Å; D58-A60 PolarHBondContact O-N 2.93Å
61V93.7Very high91.1Very high23 Ų2379.1 Ų79.114%0.13940%0.397CS..BIsolated β-bridgetrans-73.9132.5175.8-177.90000109.2R14 P15 V16 D58 E63 E66R14-V61 HydrophobicContact CB-CG1 4.06Å; R14-V61 HydrophobicContact CB-CG2 4.12Å; P15-V61 WeakPolarHBondContact O-CA 3.38Å; V16-V61 HydrophobicContact CG2-CG2 4Å; D58-V61 WeakPolarHBondContact O-CB 3.41Å; D58-V61 WeakPolarHBondContact O-CG2 3.34Å; D58-V61 PolarHBondContact O-N 3.45Å; V61-E63 PolarHBondContact O-N 3.03Å; V61-E66 WeakPolarHBondContact CG1-OE2 3Å
62S92.2Very high91.1Very high31 Ų3179 Ų7922%0.21740%0.396CS..  trans-89.4107.1176.9173.90000110.7P15 H17 S64 K65 E66P15-S62 PolarHBondContact O-N 3.2Å; H17-S62 WeakPolarHBondContact CE1-CB 3.49Å; H17-S62 PolarHBondContact CE1-OG 3.24Å; H17-S62 VanDerWaalsContact CE1-OG 3.25Å; H17-S62 WeakPolarHBondContact ND1-CB 3.28Å; S62-S64 VanDerWaalsContact C-N 3.31Å; S62-S64 PolarHBondContact O-N 3.4Å; S62-K65 PolarHBondContact O-N 3.39Å; S62-E66 PolarHBondContact O-N 3.08Å
63E92.6Very high91.1Very high143 Ų14370.4 Ų70.467%0.66836%0.364SS*.Hα-helixtrans-57.6-40.1179.5-172.1174.9-172.800112.7V61 K65 E66 N67V61-E63 PolarHBondContact O-N 3.03Å; E63-K65 PolarHBondContact O-N 3.08Å; E63-E66 PolarHBondContact O-N 3.47Å; E63-N67 WeakPolarHBondContact O-CB 3.34Å; E63-N67 VanDerWaalsContact O-CG 3.23Å; E63-N67 PolarHBondContact O-N 3.23Å; E63-N67 PolarHBondContact O-ND2 3.1Å
64S92.7Very high91.1Very high96 Ų9662.9 Ų62.967%0.67134%0.343SS*.Hα-helixtrans-60.4-43.6-179.7-500000112.8S62 E68S62-S64 VanDerWaalsContact C-N 3.31Å; S62-S64 PolarHBondContact O-N 3.4Å; S64-E68 PolarHBondContact O-N 2.93Å
65K91.7Very high91.1Very high33 Ų3367.1 Ų67.114%0.14337%0.365CS..Hα-helixtrans-77.8-31.7178.2-73.7-163.6-172.6165.30112.6M1 P15 H17 S62 E63 N67 E68 I69M1-K65 PolarHBondContact SD-NZ 3.47Å; P15-K65 HydrophobicContact CG-CB 3.96Å; H17-K65 VanDerWaalsContact CE1-CD 3.44Å; H17-K65 WeakPolarHBondContact CE1-CD 3.36Å; H17-K65 VanDerWaalsContact NE2-CD 3.34Å; H17-K65 WeakPolarHBondContact NE2-CD 3.48Å; H17-K65 WeakPolarHBondContact NE2-CE 3.47Å; H17-K65 PolarHBondContact NE2-NZ 3.32Å; S62-K65 PolarHBondContact O-N 3.39Å; E63-K65 PolarHBondContact O-N 3.08Å; K65-N67 VanDerWaalsContact C-N 3.3Å; K65-E68 PolarHBondContact O-N 3.2Å; K65-I69 WeakPolarHBondContact O-CB 3.45Å; K65-I69 VanDerWaalsContact O-CD1 3.32Å; K65-I69 WeakPolarHBondContact O-CD1 3.4Å; K65-I69 VanDerWaalsContact O-CG1 3.23Å; K65-I69 WeakPolarHBondContact O-CG1 3.44Å; K65-I69 PolarHBondContact O-N 3.29Å
66E93.9Very high91.6Very high24 Ų2458 Ų5811%0.11233%0.325CS..Hα-helixtrans-59.5-44.8171-166.2177.514700111.1P15 V61 S62 E63 I69 R70 Y77P15-E66 HydrophobicContact CG-CB 4.14Å; V61-E66 WeakPolarHBondContact CG1-OE2 3Å; S62-E66 PolarHBondContact O-N 3.08Å; E63-E66 PolarHBondContact O-N 3.47Å; E66-I69 PolarHBondContact O-N 2.97Å; E66-R70 VanDerWaalsContact O-CB 3.29Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 PolarHBondContact O-N 3.02Å; E66-R70 IonicContact OE1-CZ 2.78Å; E66-R70 IonicContact OE1-NH1 2.62Å; E66-R70 IonicContact OE1-NH2 2.64Å; E66-R70 PolarHBondContact OE1-NH2 2.84Å; E66-Y77 HydrophobicContact CG-CE2 4.04Å; E66-Y77 WeakPolarHBondContact CG-OH 3.18Å; E66-Y77 PolarHBondContact OE1-OH 3.22Å
67N93.6Very high91.7Very high74 Ų7453 Ų5340%0.39630%0.298SS..Hα-helixtrans-66.3-39177.1-69.8-21.4000112.4E63 K65 R70 S71E63-N67 WeakPolarHBondContact O-CB 3.34Å; E63-N67 VanDerWaalsContact O-CG 3.23Å; E63-N67 PolarHBondContact O-N 3.23Å; E63-N67 PolarHBondContact O-ND2 3.1Å; K65-N67 VanDerWaalsContact C-N 3.3Å; N67-R70 PolarHBondContact O-N 3.31Å; N67-R70 PolarHBondContact OD1-NH1 3.48Å; N67-S71 WeakPolarHBondContact O-CB 3.5Å; N67-S71 PolarHBondContact O-N 3.45Å; N67-S71 PolarHBondContact O-OG 2.89Å
68E93.3Very high91.9Very high80 Ų8055.8 Ų55.837%0.37431%0.314SS..Hα-helixtrans-58.1-50.5172.1-178178.4-170.300111S64 K65 S71 L72S64-E68 PolarHBondContact O-N 2.93Å; K65-E68 PolarHBondContact O-N 3.2Å; E68-S71 PolarHBondContact O-N 2.82Å; E68-S71 PolarHBondContact O-OG 3.49Å; E68-L72 HydrophobicContact CG-CD1 4.07Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.3Å; E68-L72 VanDerWaalsContact O-N 3.1Å
69I92.6Very high92.1Very high0 Ų053.4 Ų53.40%030%0.304CS..Hα-helixtrans-63.9-45.1-179.8-68159.3000111.2L3 V11 L12 P15 K65 E66 S71 L72 F73 Y77L3-I69 HydrophobicContact CD2-CD1 4.46Å; L3-I69 HydrophobicContact CD2-CG1 3.96Å; V11-I69 HydrophobicContact CG1-CG2 3.38Å; L12-I69 HydrophobicContact CB-CD1 3.62Å; L12-I69 HydrophobicContact CD1-CD1 4.45Å; P15-I69 HydrophobicContact CB-CD1 4.46Å; P15-I69 HydrophobicContact CG-CD1 4.12Å; K65-I69 WeakPolarHBondContact O-CB 3.45Å; K65-I69 VanDerWaalsContact O-CD1 3.32Å; K65-I69 WeakPolarHBondContact O-CD1 3.4Å; K65-I69 VanDerWaalsContact O-CG1 3.23Å; K65-I69 WeakPolarHBondContact O-CG1 3.44Å; K65-I69 PolarHBondContact O-N 3.29Å; E66-I69 PolarHBondContact O-N 2.97Å; I69-S71 VanDerWaalsContact C-N 3.25Å; I69-S71 PolarHBondContact O-N 3.35Å; I69-L72 PolarHBondContact O-N 3.02Å; I69-L72 VanDerWaalsContact O-N 3.17Å; I69-F73 HydrophobicContact CG2-CD2 4.39Å; I69-F73 PolarHBondContact O-N 2.69Å; I69-Y77 HydrophobicContact CG2-CD2 4.21Å
70R92.9Very high92.1Very high73 Ų7351.9 Ų51.928%0.27529%0.285SS..Hα-helixtrans-60.6-35.9177.5-172.2-177.3-75.2114.8-5.2111.6E66 N67 P74 Y77 E81E66-R70 VanDerWaalsContact O-CB 3.29Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 PolarHBondContact O-N 3.02Å; E66-R70 IonicContact OE1-CZ 2.78Å; E66-R70 IonicContact OE1-NH1 2.62Å; E66-R70 IonicContact OE1-NH2 2.64Å; E66-R70 PolarHBondContact OE1-NH2 2.84Å; N67-R70 PolarHBondContact O-N 3.31Å; N67-R70 PolarHBondContact OD1-NH1 3.48Å; R70-P74 WeakPolarHBondContact O-CA 3.44Å; R70-Y77 HydrophobicContact CB-CD2 4.46Å; R70-Y77 HydrophobicContact CB-CG 4.33Å; R70-Y77 HydrophobicContact CG-CD1 4.31Å; R70-Y77 HydrophobicContact CG-CG 4.28Å; R70-E81 IonicContact NH2-OE1 3.63Å
71S92.3Very high92.2Very high88 Ų8856.3 Ų56.362%0.61530%0.302SS*.Hα-helixtrans-70.9-33.6176.577.30000113.5N67 E68 I69N67-S71 WeakPolarHBondContact O-CB 3.5Å; N67-S71 PolarHBondContact O-N 3.45Å; N67-S71 PolarHBondContact O-OG 2.89Å; E68-S71 PolarHBondContact O-N 2.82Å; E68-S71 PolarHBondContact O-OG 3.49Å; I69-S71 VanDerWaalsContact C-N 3.25Å; I69-S71 PolarHBondContact O-N 3.35Å
72L91.8Very high92.1Very high49 Ų4958.9 Ų58.926%0.25732%0.322SS..Hα-helixtrans-85.2-35.5-177.7-68.7172.3000112.5L3 E68 I69 K99L3-L72 HydrophobicContact CD1-CD1 3.59Å; E68-L72 HydrophobicContact CG-CD1 4.07Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.3Å; E68-L72 VanDerWaalsContact O-N 3.1Å; I69-L72 PolarHBondContact O-N 3.02Å; I69-L72 VanDerWaalsContact O-N 3.17Å; L72-K99 HydrophobicContact CD1-CD 4.36Å; L72-K99 HydrophobicContact CD1-CG 4.3Å
73F91.3Very high92Very high0 Ų060.7 Ų60.70%035%0.345CS..  trans-132.663.5-172.7-52.9-72.6000111.3L3 V11 I69 Y76 Y77 L88 E92 T95 L96L3-F73 HydrophobicContact CD1-CE2 4.12Å; V11-F73 HydrophobicContact CG1-CD2 3.97Å; V11-F73 HydrophobicContact CG2-CD2 4.27Å; V11-F73 HydrophobicContact CG2-CE2 4.36Å; I69-F73 HydrophobicContact CG2-CD2 4.39Å; I69-F73 PolarHBondContact O-N 2.69Å; F73-Y76 PolarHBondContact O-N 2.89Å; F73-Y77 PolarHBondContact O-N 2.83Å; F73-L88 HydrophobicContact CD1-CD2 4.32Å; F73-E92 HydrophobicContact CD1-CB 3.86Å; F73-E92 HydrophobicContact CD1-CG 3.89Å; F73-E92 HydrophobicContact CE1-CB 3.86Å; F73-E92 HydrophobicContact CE1-CG 4.26Å; F73-E92 VanDerWaalsContact CE1-O 3.28Å; F73-E92 WeakPolarHBondContact CE1-O 3.08Å; F73-T95 HydrophobicContact CE1-CG2 4.28Å; F73-T95 HydrophobicContact CZ-CG2 4.14Å; F73-L96 HydrophobicContact CE1-CB 4.28Å; F73-L96 HydrophobicContact CE2-CD1 4.08Å; F73-L96 HydrophobicContact CZ-CB 3.77Å; F73-L96 HydrophobicContact CZ-CD1 4.03Å; F73-L96 HydrophobicContact CZ-CG 4.49Å
74P91.5Very high91.7Very high57 Ų5759.9 Ų59.937%0.3734%0.343SS..Hα-helixtrans-61.8-48.2-175.323.7-33.3000112.2R70 Y76 Y77 D78R70-P74 WeakPolarHBondContact O-CA 3.44Å; P74-Y76 VanDerWaalsContact C-N 3.32Å; P74-Y76 PolarHBondContact O-N 3.33Å; P74-Y77 PolarHBondContact O-N 2.72Å; P74-D78 PolarHBondContact O-N 3.46Å
75N90Very high91.3Very high116 Ų11660.8 Ų60.862%0.6235%0.349SS*.Hα-helixtrans-60.1-42-179.3-64.5-23.9000112.1Y77 A79N75-Y77 VanDerWaalsContact C-N 3.35Å; N75-A79 WeakPolarHBondContact O-CB 3.46Å; N75-A79 PolarHBondContact O-N 3.08Å
76Y91.7Very high91Very high5 Ų560.4 Ų60.42%0.0235%0.35CS..Hα-helixtrans-62-44.2175.1175.4-91.9000111.1N10 V11 F73 P74 K80 P86 L88N10-Y76 WeakPolarHBondContact CB-OH 3.45Å; V11-Y76 HydrophobicContact CB-CD1 3.88Å; V11-Y76 HydrophobicContact CB-CE1 3.49Å; V11-Y76 VanDerWaalsContact CB-CE1 3.49Å; V11-Y76 HydrophobicContact CB-CE2 4.37Å; V11-Y76 HydrophobicContact CB-CG 4.47Å; V11-Y76 HydrophobicContact CG1-CD1 3.92Å; V11-Y76 HydrophobicContact CG1-CE1 3.77Å; V11-Y76 WeakPolarHBondContact O-CE1 3.32Å; V11-Y76 PolarHBondContact O-OH 3.46Å; F73-Y76 PolarHBondContact O-N 2.89Å; P74-Y76 VanDerWaalsContact C-N 3.32Å; P74-Y76 PolarHBondContact O-N 3.33Å; Y76-K80 VanDerWaalsContact O-CB 3.26Å; Y76-K80 WeakPolarHBondContact O-CB 3.33Å; Y76-K80 PolarHBondContact O-N 3.08Å; Y76-P86 HydrophobicContact CD2-CB 4.09Å; Y76-P86 HydrophobicContact CD2-CG 3.54Å; Y76-P86 HydrophobicContact CE2-CG 3.83Å; Y76-P86 HydrophobicContact CG-CG 4.18Å; Y76-P86 WeakPolarHBondContact O-CG 3.43Å; Y76-L88 HydrophobicContact CD2-CD2 3.58Å; Y76-L88 HydrophobicContact CD2-CG 4.35Å; Y76-L88 HydrophobicContact CE2-CD2 4.38Å; Y76-L88 HydrophobicContact CG-CD2 3.87Å
77Y91.9Very high90.6Very high1 Ų164.5 Ų64.50%0.00438%0.382CS..Hα-helixtrans-66.3-47.5-178.2-150.2-86.9000111.8F13 E66 I69 R70 F73 P74 N75 K80 E81F13-Y77 HydrophobicContact CD2-CD2 4.1Å; F13-Y77 HydrophobicContact CD2-CE1 4.31Å; F13-Y77 AromaticContact CD2-CE2 3.67Å; F13-Y77 HydrophobicContact CD2-CE2 3.67Å; F13-Y77 AromaticContact CD2-CZ 3.78Å; F13-Y77 HydrophobicContact CE2-CD1 4.23Å; F13-Y77 HydrophobicContact CE2-CD2 4.43Å; F13-Y77 AromaticContact CE2-CE1 3.8Å; F13-Y77 HydrophobicContact CE2-CE1 3.8Å; F13-Y77 HydrophobicContact CE2-CE2 4.02Å; F13-Y77 AromaticContact CE2-CZ 3.67Å; E66-Y77 HydrophobicContact CG-CE2 4.04Å; E66-Y77 WeakPolarHBondContact CG-OH 3.18Å; E66-Y77 PolarHBondContact OE1-OH 3.22Å; I69-Y77 HydrophobicContact CG2-CD2 4.21Å; R70-Y77 HydrophobicContact CB-CD2 4.46Å; R70-Y77 HydrophobicContact CB-CG 4.33Å; R70-Y77 HydrophobicContact CG-CD1 4.31Å; R70-Y77 HydrophobicContact CG-CG 4.28Å; F73-Y77 PolarHBondContact O-N 2.83Å; P74-Y77 PolarHBondContact O-N 2.72Å; N75-Y77 VanDerWaalsContact C-N 3.35Å; Y77-K80 WeakPolarHBondContact O-CB 3.33Å; Y77-K80 PolarHBondContact O-N 2.9Å; Y77-K80 VanDerWaalsContact O-N 3.14Å; Y77-E81 HydrophobicContact CD1-CG 4Å; Y77-E81 HydrophobicContact CE1-CG 3.95Å; Y77-E81 WeakPolarHBondContact CE1-OE1 3.46Å; Y77-E81 PolarHBondContact O-N 2.88Å
78D92Very high90.2Very high89 Ų8962.4 Ų62.448%0.47637%0.37SS..Hα-helixtrans-64.5-42.4-179.7-64.9-14.8000111.9P74 K80 E81 S82P74-D78 PolarHBondContact O-N 3.46Å; D78-K80 VanDerWaalsContact C-N 3.29Å; D78-K80 PolarHBondContact O-N 3.42Å; D78-E81 PolarHBondContact O-N 2.76Å; D78-S82 PolarHBondContact O-N 3.47Å; D78-S82 PolarHBondContact O-OG 3.49Å; D78-S82 VanDerWaalsContact O-OG 3.11Å
79A92.1Very high89.9Confident22 Ų2261 Ų6118%0.18237%0.369CS..Hα-helixtrans-64.6-35.2174.600000111.6N75 S82 G83 M84 P86N75-A79 WeakPolarHBondContact O-CB 3.46Å; N75-A79 PolarHBondContact O-N 3.08Å; A79-S82 WeakPolarHBondContact CA-OG 3.31Å; A79-S82 PolarHBondContact O-N 3.21Å; A79-S82 PolarHBondContact O-OG 2.82Å; A79-G83 PolarHBondContact O-N 3.33Å; A79-M84 HydrophobicContact CB-CB 4.43Å; A79-M84 WeakPolarHBondContact O-CA 3.33Å; A79-M84 VanDerWaalsContact O-CB 3.3Å; A79-M84 WeakPolarHBondContact O-CB 3.48Å; A79-M84 PolarHBondContact O-N 2.98Å; A79-P86 HydrophobicContact CB-CB 3.61Å; A79-P86 HydrophobicContact CB-CG 3.7Å
80K90.9Very high89.6Confident68 Ų6869.4 Ų69.430%0.29641%0.408SS..Hα-helixtrans-71.2-38.1176.2-161.968.4175-177.50112.2F13 Y76 Y77 D78 S82 G83F13-K80 HydrophobicContact CB-CG 4.02Å; F13-K80 HydrophobicContact CD1-CG 3.81Å; F13-K80 HydrophobicContact CD2-CB 3.73Å; F13-K80 HydrophobicContact CD2-CG 3.41Å; F13-K80 VanDerWaalsContact CD2-CG 3.41Å; F13-K80 HydrophobicContact CE1-CG 4.06Å; F13-K80 HydrophobicContact CE2-CB 3.74Å; F13-K80 HydrophobicContact CE2-CG 3.68Å; F13-K80 HydrophobicContact CG-CB 4.31Å; F13-K80 HydrophobicContact CG-CG 3.47Å; F13-K80 VanDerWaalsContact CG-CG 3.47Å; F13-K80 HydrophobicContact CZ-CB 4.32Å; F13-K80 HydrophobicContact CZ-CG 4Å; Y76-K80 VanDerWaalsContact O-CB 3.26Å; Y76-K80 WeakPolarHBondContact O-CB 3.33Å; Y76-K80 PolarHBondContact O-N 3.08Å; Y77-K80 WeakPolarHBondContact O-CB 3.33Å; Y77-K80 PolarHBondContact O-N 2.9Å; Y77-K80 VanDerWaalsContact O-N 3.14Å; D78-K80 VanDerWaalsContact C-N 3.29Å; D78-K80 PolarHBondContact O-N 3.42Å; K80-S82 VanDerWaalsContact C-N 3.33Å; K80-G83 PolarHBondContact O-N 3.45Å; K80-G83 VanDerWaalsContact O-N 3.12Å
81E90.9Very high89.2Confident110 Ų11069.6 Ų69.651%0.51442%0.421SS..Hα-helixtrans-65.2-34.9174.2-74.4-170.5158.700112.5F13 R70 Y77 D78 G83F13-E81 HydrophobicContact CE2-CG 3.83Å; F13-E81 HydrophobicContact CZ-CG 3.91Å; R70-E81 IonicContact NH2-OE1 3.63Å; Y77-E81 HydrophobicContact CD1-CG 4Å; Y77-E81 HydrophobicContact CE1-CG 3.95Å; Y77-E81 WeakPolarHBondContact CE1-OE1 3.46Å; Y77-E81 PolarHBondContact O-N 2.88Å; D78-E81 PolarHBondContact O-N 2.76Å; E81-G83 PolarHBondContact O-N 3.34Å
82S92.5Very high89.1Confident78 Ų7866.5 Ų66.555%0.54540%0.397SS..THydrogen-bonded Turntrans-75.43.5172.957.90000114.3D78 A79 K80 M84D78-S82 PolarHBondContact O-N 3.47Å; D78-S82 PolarHBondContact O-OG 3.49Å; D78-S82 VanDerWaalsContact O-OG 3.11Å; A79-S82 WeakPolarHBondContact CA-OG 3.31Å; A79-S82 PolarHBondContact O-N 3.21Å; A79-S82 PolarHBondContact O-OG 2.82Å; K80-S82 VanDerWaalsContact C-N 3.33Å; S82-M84 VanDerWaalsContact C-N 3.33Å
83G89Confident88.8Confident69 Ų6968.6 Ų68.671%0.71141%0.407SS*.THydrogen-bonded Turntrans80.89.6177.400000114.4A79 K80 E81A79-G83 PolarHBondContact O-N 3.33Å; K80-G83 PolarHBondContact O-N 3.45Å; K80-G83 VanDerWaalsContact O-N 3.12Å; E81-G83 PolarHBondContact O-N 3.34Å
84M88Confident88.6Confident125 Ų12575.6 Ų75.662%0.61644%0.44SS*.  trans-80.3163174.6-58.1-178.817600111A79 S82 P86A79-M84 HydrophobicContact CB-CB 4.43Å; A79-M84 WeakPolarHBondContact O-CA 3.33Å; A79-M84 VanDerWaalsContact O-CB 3.3Å; A79-M84 WeakPolarHBondContact O-CB 3.48Å; A79-M84 PolarHBondContact O-N 2.98Å; S82-M84 VanDerWaalsContact C-N 3.33Å; M84-P86 WeakPolarHBondContact O-CD 3.47Å
85S84.5Confident88.3Confident115 Ų11575.6 Ų75.680%0.80444%0.439SS*.  trans-104.780.7169.444.80000109.1
86P84.2Confident88.2Confident26 Ų2670.7 Ų70.717%0.16941%0.413CS..PPolyproline II helixtrans-67138.4-17926.6-34.4000111.2Y76 A79 M84Y76-P86 HydrophobicContact CD2-CB 4.09Å; Y76-P86 HydrophobicContact CD2-CG 3.54Å; Y76-P86 HydrophobicContact CE2-CG 3.83Å; Y76-P86 HydrophobicContact CG-CG 4.18Å; Y76-P86 WeakPolarHBondContact O-CG 3.43Å; A79-P86 HydrophobicContact CB-CB 3.61Å; A79-P86 HydrophobicContact CB-CG 3.7Å; M84-P86 WeakPolarHBondContact O-CD 3.47Å
87S85.6Confident87.9Confident110 Ų11072.9 Ų72.977%0.76943%0.432SS*.PPolyproline II helixtrans-88.7139162.454.70000109.5
88L85.9Confident87.5Confident30 Ų3076 Ų7616%0.15746%0.458CS..PPolyproline II helixtrans-69.5140.1171.8-60.4173.3000110.3V11 F73 Y76 E92 I93 L96V11-L88 HydrophobicContact CG2-CD1 3.73Å; V11-L88 HydrophobicContact CG2-CD2 4.04Å; V11-L88 HydrophobicContact CG2-CG 4.45Å; F73-L88 HydrophobicContact CD1-CD2 4.32Å; Y76-L88 HydrophobicContact CD2-CD2 3.58Å; Y76-L88 HydrophobicContact CD2-CG 4.35Å; Y76-L88 HydrophobicContact CE2-CD2 4.38Å; Y76-L88 HydrophobicContact CG-CD2 3.87Å; L88-E92 HydrophobicContact CB-CB 3.99Å; L88-E92 HydrophobicContact CD2-CB 4.15Å; L88-I93 HydrophobicContact CB-CD1 4.43Å; L88-I93 HydrophobicContact CB-CG1 3.68Å; L88-I93 HydrophobicContact CD1-CG1 4.3Å; L88-L96 HydrophobicContact CD1-CD2 3.62Å
89S85.5Confident87.1Confident51 Ų5176.7 Ų76.736%0.35746%0.457SS..PPolyproline II helixtrans-66.3159.9166.660.40000111.4S91 E92 I93S89-S91 VanDerWaalsContact C-N 3.25Å; S89-S91 PolarHBondContact O-N 3.3Å; S89-S91 PolarHBondContact OG-OG 3.15Å; S89-E92 WeakPolarHBondContact CB-OE2 3.25Å; S89-E92 PolarHBondContact N-OE2 3.39Å; S89-E92 WeakPolarHBondContact O-CB 3.44Å; S89-E92 PolarHBondContact O-N 3.01Å; S89-E92 VanDerWaalsContact OG-CD 3.24Å; S89-E92 WeakPolarHBondContact OG-CG 3.5Å; S89-E92 PolarHBondContact OG-N 3.4Å; S89-E92 PolarHBondContact OG-OE2 3.49Å; S89-I93 WeakPolarHBondContact O-CG1 3.42Å; S89-I93 PolarHBondContact O-N 2.94Å
90E86.9Confident86.6Confident175 Ų17577.1 Ų77.182%0.81846%0.456SS*.Hα-helixtrans-53.9-42.2179.4-67.5179.8175.900112.4E92 I93 E94E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 2.98Å; E90-I93 PolarHBondContact O-N 3.4Å; E90-E94 PolarHBondContact O-N 3.24Å
91S85.4Confident85.6Confident77 Ų7778.5 Ų78.554%0.53847%0.47SS..Hα-helixtrans-64.4-35.6175.9480000113.4S89 T95S89-S91 VanDerWaalsContact C-N 3.25Å; S89-S91 PolarHBondContact O-N 3.3Å; S89-S91 PolarHBondContact OG-OG 3.15Å; S91-T95 WeakPolarHBondContact O-CB 3.34Å; S91-T95 PolarHBondContact O-N 3.47Å; S91-T95 PolarHBondContact O-OG1 2.9Å
92E88.7Confident84.2Confident24 Ų2478.2 Ų78.211%0.11247%0.472CS..Hα-helixtrans-72.6-37.4176.3-72.7168.7135.600111F73 L88 S89 E90 E94 T95 L96F73-E92 HydrophobicContact CD1-CB 3.86Å; F73-E92 HydrophobicContact CD1-CG 3.89Å; F73-E92 HydrophobicContact CE1-CB 3.86Å; F73-E92 HydrophobicContact CE1-CG 4.26Å; F73-E92 VanDerWaalsContact CE1-O 3.28Å; F73-E92 WeakPolarHBondContact CE1-O 3.08Å; L88-E92 HydrophobicContact CB-CB 3.99Å; L88-E92 HydrophobicContact CD2-CB 4.15Å; S89-E92 WeakPolarHBondContact CB-OE2 3.25Å; S89-E92 PolarHBondContact N-OE2 3.39Å; S89-E92 WeakPolarHBondContact O-CB 3.44Å; S89-E92 PolarHBondContact O-N 3.01Å; S89-E92 VanDerWaalsContact OG-CD 3.24Å; S89-E92 WeakPolarHBondContact OG-CG 3.5Å; S89-E92 PolarHBondContact OG-N 3.4Å; S89-E92 PolarHBondContact OG-OE2 3.49Å; E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 2.98Å; E92-E94 VanDerWaalsContact C-N 3.34Å; E92-E94 PolarHBondContact O-N 3.46Å; E92-T95 PolarHBondContact O-N 3Å; E92-L96 VanDerWaalsContact O-CB 3.27Å; E92-L96 WeakPolarHBondContact O-CB 3.48Å; E92-L96 PolarHBondContact O-N 3.17Å
93I87Confident82.6Confident93 Ų9380.7 Ų80.748%0.47749%0.486SS..Hα-helixtrans-61.5-44.5174.1-64.2168.3000110.2L88 S89 E90 L96 A97L88-I93 HydrophobicContact CB-CD1 4.43Å; L88-I93 HydrophobicContact CB-CG1 3.68Å; L88-I93 HydrophobicContact CD1-CG1 4.3Å; S89-I93 WeakPolarHBondContact O-CG1 3.42Å; S89-I93 PolarHBondContact O-N 2.94Å; E90-I93 PolarHBondContact O-N 3.4Å; I93-L96 PolarHBondContact O-N 3.21Å; I93-A97 WeakPolarHBondContact O-CB 3.18Å; I93-A97 PolarHBondContact O-N 2.92Å
94E85.6Confident81.2Confident147 Ų14782.7 Ų82.769%0.68748%0.479SS*.Hα-helixtrans-64.6-42.3176.9-173.3166.7-151.300111.8E90 E92 L96 A97 A98E90-E94 PolarHBondContact O-N 3.24Å; E92-E94 VanDerWaalsContact C-N 3.34Å; E92-E94 PolarHBondContact O-N 3.46Å; E94-L96 VanDerWaalsContact C-N 3.31Å; E94-L96 PolarHBondContact O-N 2.89Å; E94-A97 PolarHBondContact O-N 3.18Å; E94-A98 WeakPolarHBondContact O-CB 3.08Å; E94-A98 PolarHBondContact O-N 3.03Å
95T87.1Confident79.9Confident56 Ų5681.9 Ų81.934%0.34448%0.483SS..Hα-helixtrans-61-42.2174.8-56.70000111.3F73 S91 E92 A98 K99F73-T95 HydrophobicContact CE1-CG2 4.28Å; F73-T95 HydrophobicContact CZ-CG2 4.14Å; S91-T95 WeakPolarHBondContact O-CB 3.34Å; S91-T95 PolarHBondContact O-N 3.47Å; S91-T95 PolarHBondContact O-OG1 2.9Å; E92-T95 PolarHBondContact O-N 3Å; T95-A98 PolarHBondContact O-N 2.73Å; T95-K99 VanDerWaalsContact O-CG 3.27Å; T95-K99 WeakPolarHBondContact O-CG 3.36Å; T95-K99 PolarHBondContact O-N 2.94Å; T95-K99 VanDerWaalsContact O-N 3.12Å
96L87.3Confident78.5Confident14 Ų1482.8 Ų82.87%0.07348%0.479CS..Hα-helixtrans-65.2-44.8177.2-176.159.9000111.4L3 T4 V11 F73 L88 E92 I93 E94 A98 K99 N100L3-L96 HydrophobicContact CB-CD1 3.66Å; T4-L96 HydrophobicContact CG2-CD1 4.05Å; T4-L96 HydrophobicContact CG2-CD2 3.66Å; T4-L96 HydrophobicContact CG2-CG 3.96Å; V11-L96 HydrophobicContact CG2-CD1 3.89Å; V11-L96 HydrophobicContact CG2-CD2 3.54Å; V11-L96 HydrophobicContact CG2-CG 4.3Å; F73-L96 HydrophobicContact CE1-CB 4.28Å; F73-L96 HydrophobicContact CE2-CD1 4.08Å; F73-L96 HydrophobicContact CZ-CB 3.77Å; F73-L96 HydrophobicContact CZ-CD1 4.03Å; F73-L96 HydrophobicContact CZ-CG 4.49Å; L88-L96 HydrophobicContact CD1-CD2 3.62Å; E92-L96 VanDerWaalsContact O-CB 3.27Å; E92-L96 WeakPolarHBondContact O-CB 3.48Å; E92-L96 PolarHBondContact O-N 3.17Å; I93-L96 PolarHBondContact O-N 3.21Å; E94-L96 VanDerWaalsContact C-N 3.31Å; E94-L96 PolarHBondContact O-N 2.89Å; L96-A98 PolarHBondContact O-N 3.42Å; L96-K99 PolarHBondContact O-N 2.83Å; L96-N100 WeakPolarHBondContact O-CB 3.46Å; L96-N100 VanDerWaalsContact O-CG 3.23Å; L96-N100 PolarHBondContact O-N 3.41Å; L96-N100 PolarHBondContact O-ND2 2.91Å
97A85.2Confident77.4Confident51 Ų5186.5 Ų86.542%0.42151%0.505SS..Hα-helixtrans-58.8-47.5175.800000110.9I93 E94 K99 N100 T101I93-A97 WeakPolarHBondContact O-CB 3.18Å; I93-A97 PolarHBondContact O-N 2.92Å; E94-A97 PolarHBondContact O-N 3.18Å; A97-K99 PolarHBondContact O-N 2.91Å; A97-N100 PolarHBondContact O-N 3.44Å; A97-N100 VanDerWaalsContact O-N 3.13Å; A97-T101 WeakPolarHBondContact O-CG2 3.33Å; A97-T101 PolarHBondContact O-N 2.98Å
98A84.1Confident76.4Confident67 Ų6788.9 Ų88.955%0.55450%0.502SS*.Hα-helixtrans-61.2-29.617800000113.6E94 T95 L96 T101E94-A98 WeakPolarHBondContact O-CB 3.08Å; E94-A98 PolarHBondContact O-N 3.03Å; T95-A98 PolarHBondContact O-N 2.73Å; L96-A98 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-OG1 3.16Å
99K83.8Confident75.9Confident103 Ų10390.2 Ų90.245%0.44852%0.517SS..Hα-helixtrans-81.3-30.2175.9-68.1-70.3-177.31760113.1L3 L72 T95 L96 A97L3-K99 HydrophobicContact CD1-CB 3.83Å; L3-K99 HydrophobicContact CD1-CG 4.05Å; L3-K99 HydrophobicContact CG-CB 4.39Å; L72-K99 HydrophobicContact CD1-CD 4.36Å; L72-K99 HydrophobicContact CD1-CG 4.3Å; T95-K99 VanDerWaalsContact O-CG 3.27Å; T95-K99 WeakPolarHBondContact O-CG 3.36Å; T95-K99 PolarHBondContact O-N 2.94Å; T95-K99 VanDerWaalsContact O-N 3.12Å; L96-K99 PolarHBondContact O-N 2.83Å; A97-K99 PolarHBondContact O-N 2.91Å
100N80.7Confident75.7Confident31 Ų3194.1 Ų94.117%0.16653%0.529CS..Hα-helixtrans-89.4-8.2-178.4-67.8-23.3000114.1D2 L3 T4 L96 A97 D102D2-N100 VanDerWaalsContact CA-OD1 3.23Å; D2-N100 WeakPolarHBondContact CA-OD1 3.42Å; D2-N100 HydrophobicContact CB-CB 4.44Å; D2-N100 WeakPolarHBondContact CB-OD1 3.34Å; L3-N100 PolarHBondContact N-OD1 3.21Å; T4-N100 WeakPolarHBondContact CG2-ND2 3.3Å; T4-N100 PolarHBondContact OG1-ND2 3.17Å; L96-N100 WeakPolarHBondContact O-CB 3.46Å; L96-N100 VanDerWaalsContact O-CG 3.23Å; L96-N100 PolarHBondContact O-N 3.41Å; L96-N100 PolarHBondContact O-ND2 2.91Å; A97-N100 PolarHBondContact O-N 3.44Å; A97-N100 VanDerWaalsContact O-N 3.13Å; N100-D102 PolarHBondContact O-N 3Å
101T69Low75.5Confident97 Ų9792 Ų9260%0.59553%0.531SS*.  trans-64.8114.6-178.1550000110.5A97 A98A97-T101 WeakPolarHBondContact O-CG2 3.33Å; A97-T101 PolarHBondContact O-N 2.98Å; A98-T101 PolarHBondContact O-OG1 3.16Å
102D62.9Low75.6Confident104 Ų10490.1 Ų90.156%0.55652%0.524SS*.  trans-52.4142153-74.7-40.2000108.1N100 I104N100-D102 PolarHBondContact O-N 3Å; D102-I104 HydrophobicContact CB-CD1 4.25Å; D102-I104 HydrophobicContact CB-CG1 4.17Å; D102-I104 PolarHBondContact O-N 2.9Å
103P58.8Low75.6Confident129 Ų12992.7 Ų92.784%0.83854%0.539SS*.SBendtrans-69.428.1-179.828.5-34.7000113.4P105P103-P105 VanDerWaalsContact O-CD 3.28Å; P103-P105 WeakPolarHBondContact O-CD 3.49Å
104I58.9Low75.6Confident111 Ų11193.4 Ų93.457%0.56955%0.547SS*.  trans-82.4109.8171.3-54.1172.5000105.7D102 N106D102-I104 HydrophobicContact CB-CD1 4.25Å; D102-I104 HydrophobicContact CB-CG1 4.17Å; D102-I104 PolarHBondContact O-N 2.9Å; I104-N106 PolarHBondContact O-N 3.47Å
105P60.4Low76Confident108 Ų10891.7 Ų91.770%0.70154%0.539SS*.  trans-54.1129.5170.3-15.228.7000106.7P103 C107P103-P105 VanDerWaalsContact O-CD 3.28Å; P103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-C107 PolarHBondContact O-N 2.94Å
106N56.3Low76.2Confident134 Ų13493 Ų9372%0.71754%0.544SS*.  trans-44.186.1176.5-89.2-4000111.1I104 F108I104-N106 PolarHBondContact O-N 3.47Å; N106-F108 HydrophobicContact CB-CD2 3.71Å; N106-F108 HydrophobicContact CB-CE2 3.54Å; N106-F108 HydrophobicContact CB-CZ 4.36Å; N106-F108 WeakPolarHBondContact ND2-CE2 3.23Å; N106-F108 PolarHBondContact O-N 3.29Å; N106-F108 VanDerWaalsContact O-N 3.17Å
107C59.9Low76.4Confident104 Ų104100 Ų10070%0.70357%0.57SS**  trans-92.761.4175.9610000106.1P105 A109P105-C107 PolarHBondContact O-N 2.94Å; C107-A109 PolarHBondContact O-N 3.45Å; C107-A109 VanDerWaalsContact O-N 3.14Å
108F65.1Low76.8Confident160 Ų160104.2 Ų104.270%0.70258%0.576SS**  trans-67.2111.6165.7-61.3-63.5000106N106N106-F108 HydrophobicContact CB-CD2 3.71Å; N106-F108 HydrophobicContact CB-CE2 3.54Å; N106-F108 HydrophobicContact CB-CZ 4.36Å; N106-F108 WeakPolarHBondContact ND2-CE2 3.23Å; N106-F108 PolarHBondContact O-N 3.29Å; N106-F108 VanDerWaalsContact O-N 3.17Å
109A75.4Confident77.4Confident58 Ų58104.7 Ų104.748%0.47957%0.568SS.*  trans-62.7131.9160.300000106.8C107 D113 V114C107-A109 PolarHBondContact O-N 3.45Å; C107-A109 VanDerWaalsContact O-N 3.14Å; A109-D113 HydrophobicContact CB-CB 4.07Å; A109-V114 HydrophobicContact CB-CG2 4.45Å
110E81.4Confident77.9Confident133 Ų133106.4 Ų106.462%0.62158%0.575SS**  trans-61.9148173-68.7-68.5155.200108.6G112 D113E110-G112 PolarHBondContact O-N 3Å; E110-D113 PolarHBondContact N-OD2 3.17Å; E110-D113 WeakPolarHBondContact O-CB 3.28Å; E110-D113 PolarHBondContact O-N 2.98Å
111P83.3Confident78.5Confident130 Ų130108.6 Ų108.684%0.84459%0.585SS**THydrogen-bonded Turntrans-52.9113175.3-24.433.6000110.7
112G87.1Confident79.7Confident39 Ų39107.5 Ų107.540%0.40258%0.575SS.*THydrogen-bonded Turntrans110.7-19.4-178.300000115.6E110 V114 H115 D116E110-G112 PolarHBondContact O-N 3Å; G112-V114 VanDerWaalsContact C-N 3.28Å; G112-V114 PolarHBondContact O-N 3.44Å; G112-H115 WeakPolarHBondContact O-CA 3.13Å; G112-H115 WeakPolarHBondContact O-CB 3.28Å; G112-H115 PolarHBondContact O-N 3.06Å; G112-D116 PolarHBondContact O-N 2.83Å
113D88.9Confident81.3Confident77 Ų77109.3 Ų109.341%0.41258%0.579SS.*Hα-helixtrans-56.7-40.3-176.6-82.3-11.3000113.3A109 E110 H115 D116 Y117A109-D113 HydrophobicContact CB-CB 4.07Å; E110-D113 PolarHBondContact N-OD2 3.17Å; E110-D113 WeakPolarHBondContact O-CB 3.28Å; E110-D113 PolarHBondContact O-N 2.98Å; D113-H115 VanDerWaalsContact C-N 3.34Å; D113-D116 PolarHBondContact O-N 3.27Å; D113-Y117 WeakPolarHBondContact O-CB 3.48Å; D113-Y117 PolarHBondContact O-N 3.26Å
114V87.5Confident83Confident109 Ų109108.2 Ų108.266%0.66156%0.561SS**Hα-helixtrans-65.3-40.5178.6-179.30000110.9A109 G112 Y118A109-V114 HydrophobicContact CB-CG2 4.45Å; G112-V114 VanDerWaalsContact C-N 3.28Å; G112-V114 PolarHBondContact O-N 3.44Å; V114-Y118 WeakPolarHBondContact O-CB 3.26Å; V114-Y118 PolarHBondContact O-N 3.04Å
115H92.1Very high84.6Confident110 Ų110110.1 Ų110.151%0.50956%0.563SS.*Hα-helixtrans-67.7-45.3177.5175.2-88.3000110.9G112 D113 Y117 Y118 M119G112-H115 WeakPolarHBondContact O-CA 3.13Å; G112-H115 WeakPolarHBondContact O-CB 3.28Å; G112-H115 PolarHBondContact O-N 3.06Å; D113-H115 VanDerWaalsContact C-N 3.34Å; H115-Y117 VanDerWaalsContact C-N 3.33Å; H115-Y117 PolarHBondContact O-N 3.43Å; H115-Y118 WeakPolarHBondContact O-CB 3.33Å; H115-Y118 PolarHBondContact O-N 3.3Å; H115-M119 WeakPolarHBondContact CE1-CG 3.04Å; H115-M119 WeakPolarHBondContact O-CG 3.47Å; H115-M119 PolarHBondContact O-N 2.98Å
116D92.3Very high86.2Confident83 Ų83108.6 Ų108.644%0.44456%0.555SS.*Hα-helixtrans-62.5-40177.9-76.90.9000112.3G112 D113 K120G112-D116 PolarHBondContact O-N 2.83Å; D113-D116 PolarHBondContact O-N 3.27Å; D116-K120 WeakPolarHBondContact O-CB 3.46Å; D116-K120 VanDerWaalsContact O-CG 3.31Å; D116-K120 WeakPolarHBondContact O-CG 3.46Å; D116-K120 PolarHBondContact O-N 2.99Å
117Y90.9Very high88.1Confident161 Ų161108.2 Ų108.263%0.63155%0.548SS*.Hα-helixtrans-62-46.7172.9179.6-97.7000111.3D113 H115 K120 E121D113-Y117 WeakPolarHBondContact O-CB 3.48Å; D113-Y117 PolarHBondContact O-N 3.26Å; H115-Y117 VanDerWaalsContact C-N 3.33Å; H115-Y117 PolarHBondContact O-N 3.43Å; Y117-K120 PolarHBondContact O-N 2.92Å; Y117-E121 PolarHBondContact O-N 2.78Å
118Y94.9Very high89.7Confident141 Ų141108 Ų10855%0.55354%0.54SS*.Hα-helixtrans-61.4-46.6178.2172-114.5000112.4V114 H115 E121 I122V114-Y118 WeakPolarHBondContact O-CB 3.26Å; V114-Y118 PolarHBondContact O-N 3.04Å; H115-Y118 WeakPolarHBondContact O-CB 3.33Å; H115-Y118 PolarHBondContact O-N 3.3Å; Y118-E121 PolarHBondContact O-N 2.87Å; Y118-I122 HydrophobicContact CD1-CD1 4Å; Y118-I122 HydrophobicContact CD2-CD1 4.19Å; Y118-I122 HydrophobicContact CD2-CG1 4.49Å; Y118-I122 HydrophobicContact CE1-CD1 3.43Å; Y118-I122 VanDerWaalsContact CE1-CD1 3.43Å; Y118-I122 HydrophobicContact CE2-CD1 3.66Å; Y118-I122 HydrophobicContact CE2-CG1 4.13Å; Y118-I122 HydrophobicContact CG-CD1 4.34Å; Y118-I122 WeakPolarHBondContact O-CG1 3.33Å; Y118-I122 PolarHBondContact O-N 2.95Å; Y118-I122 WeakPolarHBondContact OH-CD1 3.42Å
119M95.2Very high91Very high77 Ų77107.6 Ų107.638%0.37953%0.534SS..Hα-helixtrans-60.9-45.4177.3-72-64.5108.800112.2H115 E121 I122 E123H115-M119 WeakPolarHBondContact CE1-CG 3.04Å; H115-M119 WeakPolarHBondContact O-CG 3.47Å; H115-M119 PolarHBondContact O-N 2.98Å; M119-E121 VanDerWaalsContact C-N 3.3Å; M119-E121 PolarHBondContact O-N 3.19Å; M119-I122 HydrophobicContact CE-CD1 3.83Å; M119-I122 PolarHBondContact O-N 2.92Å; M119-E123 PolarHBondContact O-N 3.13Å
120K95.5Very high91.9Very high138 Ų138107.4 Ų107.460%0.653%0.529SS*.Hα-helixtrans-61.1-39.1176.3-77171.2-175.9161.60112.3D116 Y117 E123 K124D116-K120 WeakPolarHBondContact O-CB 3.46Å; D116-K120 VanDerWaalsContact O-CG 3.31Å; D116-K120 WeakPolarHBondContact O-CG 3.46Å; D116-K120 PolarHBondContact O-N 2.99Å; Y117-K120 PolarHBondContact O-N 2.92Å; K120-E123 PolarHBondContact O-N 3.17Å; K120-K124 VanDerWaalsContact O-CB 3.25Å; K120-K124 WeakPolarHBondContact O-CB 3.2Å; K120-K124 PolarHBondContact O-N 3.44Å
121E93.5Very high92.4Very high78 Ų78103.9 Ų103.936%0.36452%0.516SS..Hα-helixtrans-71-34.8178.9-159.464.9-161.200111.5Y117 Y118 M119 K124 Y125Y117-E121 PolarHBondContact O-N 2.78Å; Y118-E121 PolarHBondContact O-N 2.87Å; M119-E121 VanDerWaalsContact C-N 3.3Å; M119-E121 PolarHBondContact O-N 3.19Å; E121-K124 IonicContact OE1-NZ 3.57Å; E121-K124 PolarHBondContact OE1-NZ 2.83Å; E121-K124 IonicContact OE2-NZ 3.69Å; E121-K124 PolarHBondContact OE2-NZ 2.64Å; E121-Y125 WeakPolarHBondContact O-CB 3.4Å; E121-Y125 PolarHBondContact O-N 2.94Å
122I94.4Very high92.8Very high74 Ų74103.1 Ų103.138%0.37950%0.502SS..Hα-helixtrans-61.6-51.6170.2-72.6170.4000111.2Y118 M119 K124 Y125 S126Y118-I122 HydrophobicContact CD1-CD1 4Å; Y118-I122 HydrophobicContact CD2-CD1 4.19Å; Y118-I122 HydrophobicContact CD2-CG1 4.49Å; Y118-I122 HydrophobicContact CE1-CD1 3.43Å; Y118-I122 VanDerWaalsContact CE1-CD1 3.43Å; Y118-I122 HydrophobicContact CE2-CD1 3.66Å; Y118-I122 HydrophobicContact CE2-CG1 4.13Å; Y118-I122 HydrophobicContact CG-CD1 4.34Å; Y118-I122 WeakPolarHBondContact O-CG1 3.33Å; Y118-I122 PolarHBondContact O-N 2.95Å; Y118-I122 WeakPolarHBondContact OH-CD1 3.42Å; M119-I122 HydrophobicContact CE-CD1 3.83Å; M119-I122 PolarHBondContact O-N 2.92Å; I122-K124 VanDerWaalsContact C-N 3.3Å; I122-K124 PolarHBondContact O-N 3.24Å; I122-Y125 PolarHBondContact O-N 3.14Å; I122-Y125 VanDerWaalsContact O-N 3.15Å; I122-S126 PolarHBondContact O-N 3.12Å
123E95.6Very high93Very high141 Ų141107.3 Ų107.366%0.65951%0.511SS*.Hα-helixtrans-58.4-45.2-178.8-177.1179.4-16300110.9M119 K120 Y125 S126 H127M119-E123 PolarHBondContact O-N 3.13Å; K120-E123 PolarHBondContact O-N 3.17Å; E123-Y125 PolarHBondContact O-N 2.6Å; E123-S126 PolarHBondContact O-N 2.99Å; E123-H127 PolarHBondContact O-N 3.23Å
124K94.9Very high93.2Very high106 Ų106109.7 Ų109.746%0.46152%0.517SS..Hα-helixtrans-57.3-48.9174.3176.2-178163.8-149.10111.6K120 E121 I122 S126 H127 L128K120-K124 VanDerWaalsContact O-CB 3.25Å; K120-K124 WeakPolarHBondContact O-CB 3.2Å; K120-K124 PolarHBondContact O-N 3.44Å; E121-K124 IonicContact OE1-NZ 3.57Å; E121-K124 PolarHBondContact OE1-NZ 2.83Å; E121-K124 IonicContact OE2-NZ 3.69Å; E121-K124 PolarHBondContact OE2-NZ 2.64Å; I122-K124 VanDerWaalsContact C-N 3.3Å; I122-K124 PolarHBondContact O-N 3.24Å; K124-S126 VanDerWaalsContact C-N 3.34Å; K124-S126 PolarHBondContact O-N 2.88Å; K124-H127 PolarHBondContact O-N 2.91Å; K124-L128 HydrophobicContact CG-CD1 3.78Å; K124-L128 WeakPolarHBondContact O-CD1 3.42Å; K124-L128 PolarHBondContact O-N 3.36Å
125Y91.9Very high93.4Very high151 Ų151110.2 Ų110.259%0.59251%0.513SS*.Hα-helixtrans-63.7-39.4179.5-173.2-97.3000112.4E121 I122 E123 H127 L128 R129E121-Y125 WeakPolarHBondContact O-CB 3.4Å; E121-Y125 PolarHBondContact O-N 2.94Å; I122-Y125 PolarHBondContact O-N 3.14Å; I122-Y125 VanDerWaalsContact O-N 3.15Å; E123-Y125 PolarHBondContact O-N 2.6Å; Y125-H127 VanDerWaalsContact C-N 3.34Å; Y125-H127 PolarHBondContact O-N 3.46Å; Y125-L128 PolarHBondContact O-N 3.14Å; Y125-R129 PolarHBondContact O-N 3.21Å
126S93.6Very high93.3Very high77 Ų77109.4 Ų109.454%0.53851%0.512SS..Hα-helixtrans-61.3-42.1174.2-170.90000112I122 E123 K124 R129 S130I122-S126 PolarHBondContact O-N 3.12Å; E123-S126 PolarHBondContact O-N 2.99Å; K124-S126 VanDerWaalsContact C-N 3.34Å; K124-S126 PolarHBondContact O-N 2.88Å; S126-R129 PolarHBondContact O-N 3.46Å; S126-S130 PolarHBondContact O-N 3.07Å; S126-S130 VanDerWaalsContact O-N 3.1Å
127H95.9Very high93.3Very high125 Ų125111.1 Ų111.158%0.57952%0.517SS*.Hα-helixtrans-66.1-44.6177.5-173.563.1000111.9E123 K124 Y125 R129 S130 V131E123-H127 PolarHBondContact O-N 3.23Å; K124-H127 PolarHBondContact O-N 2.91Å; Y125-H127 VanDerWaalsContact C-N 3.34Å; Y125-H127 PolarHBondContact O-N 3.46Å; H127-R129 VanDerWaalsContact C-N 3.31Å; H127-R129 PolarHBondContact O-N 2.78Å; H127-S130 PolarHBondContact O-N 3.02Å; H127-V131 WeakPolarHBondContact O-CG2 3.18Å; H127-V131 PolarHBondContact O-N 3.06Å; H127-V131 VanDerWaalsContact O-N 3.08Å
128L94Very high93.3Very high101 Ų101110 Ų11053%0.52952%0.518SS..Hα-helixtrans-57.6-44.6175.5-90.283.7000111.6K124 Y125 S130 V131 E132K124-L128 HydrophobicContact CG-CD1 3.78Å; K124-L128 WeakPolarHBondContact O-CD1 3.42Å; K124-L128 PolarHBondContact O-N 3.36Å; Y125-L128 PolarHBondContact O-N 3.14Å; L128-S130 PolarHBondContact O-N 3.48Å; L128-V131 PolarHBondContact O-N 3.19Å; L128-E132 PolarHBondContact O-N 3.04Å; L128-E132 VanDerWaalsContact O-N 3.08Å
129R92.9Very high93.2Very high150 Ų150105.4 Ų105.457%0.56651%0.509SS*.Hα-helixtrans-61-42.9177.5-175.9-176.3-73.2-171.6-6.3112.3Y125 S126 H127 V131 E132 E133Y125-R129 PolarHBondContact O-N 3.21Å; S126-R129 PolarHBondContact O-N 3.46Å; H127-R129 VanDerWaalsContact C-N 3.31Å; H127-R129 PolarHBondContact O-N 2.78Å; R129-V131 VanDerWaalsContact C-N 3.33Å; R129-V131 PolarHBondContact O-N 2.89Å; R129-E132 PolarHBondContact O-N 2.83Å; R129-E133 WeakPolarHBondContact O-CB 3.43Å; R129-E133 PolarHBondContact O-N 3.22Å
130S93.4Very high93Very high54 Ų54105.3 Ų105.338%0.37852%0.515SS..Hα-helixtrans-66.8-33179.4-178.80000113S126 H127 L128 K134S126-S130 PolarHBondContact O-N 3.07Å; S126-S130 VanDerWaalsContact O-N 3.1Å; H127-S130 PolarHBondContact O-N 3.02Å; L128-S130 PolarHBondContact O-N 3.48Å; S130-K134 WeakPolarHBondContact O-CG 3.44Å; S130-K134 PolarHBondContact O-N 3.4Å
131V93.4Very high92.8Very high59 Ų59104 Ų10436%0.35851%0.514SS..Hα-helixtrans-68.6-47174.4173.30000110.7H127 L128 R129 E133 K134 E135H127-V131 WeakPolarHBondContact O-CG2 3.18Å; H127-V131 PolarHBondContact O-N 3.06Å; H127-V131 VanDerWaalsContact O-N 3.08Å; L128-V131 PolarHBondContact O-N 3.19Å; R129-V131 VanDerWaalsContact C-N 3.33Å; R129-V131 PolarHBondContact O-N 2.89Å; V131-E133 VanDerWaalsContact C-N 3.3Å; V131-E133 PolarHBondContact O-N 2.89Å; V131-K134 PolarHBondContact O-N 2.9Å; V131-E135 WeakPolarHBondContact O-CG 3.23Å; V131-E135 PolarHBondContact O-N 3.43Å
132E91.1Very high92.8Very high115 Ų115103.1 Ų103.154%0.53752%0.521SS..Hα-helixtrans-60.8-37.8177.9-176176.1-163.500112.3L128 R129 E135 N136L128-E132 PolarHBondContact O-N 3.04Å; L128-E132 VanDerWaalsContact O-N 3.08Å; R129-E132 PolarHBondContact O-N 2.83Å; E132-E135 PolarHBondContact O-N 3.15Å; E132-N136 WeakPolarHBondContact O-CB 3.49Å; E132-N136 PolarHBondContact O-N 3.37Å; E132-N136 PolarHBondContact O-ND2 3.36Å
133E90.2Very high92.6Very high127 Ų127104.4 Ų104.459%0.59353%0.528SS*.Hα-helixtrans-63.2-42.7175.9-174.3170.8-159.700112.3R129 V131 N136 E137R129-E133 WeakPolarHBondContact O-CB 3.43Å; R129-E133 PolarHBondContact O-N 3.22Å; V131-E133 VanDerWaalsContact C-N 3.3Å; V131-E133 PolarHBondContact O-N 2.89Å; E133-N136 PolarHBondContact O-N 3.39Å; E133-E137 WeakPolarHBondContact O-CB 3.31Å; E133-E137 PolarHBondContact O-N 3.38Å
134K94.1Very high92.3Very high126 Ų12699.9 Ų99.955%0.54852%0.515SS..Hα-helixtrans-65.6-44.1175.8-71.9-179.1179.8-1730112.3S130 V131 N136 E137 E138S130-K134 WeakPolarHBondContact O-CG 3.44Å; S130-K134 PolarHBondContact O-N 3.4Å; V131-K134 PolarHBondContact O-N 2.9Å; K134-N136 VanDerWaalsContact C-N 3.28Å; K134-N136 PolarHBondContact O-N 3.25Å; K134-E137 PolarHBondContact O-N 3.24Å; K134-E138 WeakPolarHBondContact O-CB 3.13Å; K134-E138 WeakPolarHBondContact O-CG 3.49Å; K134-E138 PolarHBondContact O-N 3.44Å
135E91.5Very high92Very high121 Ų12197.7 Ų97.757%0.56552%0.517SS*.Hα-helixtrans-60.7-40.2175.9-70.4178.3168.600111.1V131 E132 A139V131-E135 WeakPolarHBondContact O-CG 3.23Å; V131-E135 PolarHBondContact O-N 3.43Å; E132-E135 PolarHBondContact O-N 3.15Å; E135-A139 VanDerWaalsContact O-CB 3.29Å; E135-A139 WeakPolarHBondContact O-CB 3.43Å; E135-A139 PolarHBondContact O-N 2.7Å
136N90.8Very high91.8Very high93 Ų9395.1 Ų95.150%0.49751%0.51SS..Hα-helixtrans-68-39.8175.5-75.3-25.7000112.8E132 E133 K134 S140E132-N136 WeakPolarHBondContact O-CB 3.49Å; E132-N136 PolarHBondContact O-N 3.37Å; E132-N136 PolarHBondContact O-ND2 3.36Å; E133-N136 PolarHBondContact O-N 3.39Å; K134-N136 VanDerWaalsContact C-N 3.28Å; K134-N136 PolarHBondContact O-N 3.25Å; N136-S140 VanDerWaalsContact O-CB 3.28Å; N136-S140 WeakPolarHBondContact O-CB 3.18Å; N136-S140 PolarHBondContact O-N 3.42Å; N136-S140 PolarHBondContact O-OG 2.72Å
137E92Very high91.5Very high119 Ų11995.4 Ų95.456%0.55651%0.505SS*.Hα-helixtrans-62.7-49.1175.3-175.7-179.6-175.400110.8E133 K134 A139 S140 L141E133-E137 WeakPolarHBondContact O-CB 3.31Å; E133-E137 PolarHBondContact O-N 3.38Å; K134-E137 PolarHBondContact O-N 3.24Å; E137-A139 PolarHBondContact O-N 2.87Å; E137-S140 WeakPolarHBondContact O-CB 3.49Å; E137-S140 PolarHBondContact O-N 3.04Å; E137-S140 VanDerWaalsContact O-N 3.16Å; E137-L141 HydrophobicContact CG-CD1 4.22Å; E137-L141 WeakPolarHBondContact O-CG 3.5Å; E137-L141 PolarHBondContact O-N 3.32Å
138E90.7Very high90.9Very high138 Ų13894 Ų9465%0.64550%0.501SS*.Hα-helixtrans-59.8-44.3176.8-73.1178.4-174.600111.7K134 S140 L141 A142K134-E138 WeakPolarHBondContact O-CB 3.13Å; K134-E138 WeakPolarHBondContact O-CG 3.49Å; K134-E138 PolarHBondContact O-N 3.44Å; E138-S140 VanDerWaalsContact C-N 3.34Å; E138-S140 PolarHBondContact O-N 3.04Å; E138-L141 PolarHBondContact O-N 3.28Å; E138-A142 WeakPolarHBondContact O-CB 3.25Å; E138-A142 PolarHBondContact O-N 2.77Å
139A92.1Very high90.2Very high43 Ų4396.4 Ų96.436%0.35551%0.508SS..Hα-helixtrans-63.9-38.6175.700000112.3E135 E137 L143E135-A139 VanDerWaalsContact O-CB 3.29Å; E135-A139 WeakPolarHBondContact O-CB 3.43Å; E135-A139 PolarHBondContact O-N 2.7Å; E137-A139 PolarHBondContact O-N 2.87Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.23Å
140S91.9Very high89.6Confident75 Ų7595 Ų9552%0.52451%0.507SS..Hα-helixtrans-67.4-43.1177.9-610000111.5N136 E137 E138 L143 A144N136-S140 VanDerWaalsContact O-CB 3.28Å; N136-S140 WeakPolarHBondContact O-CB 3.18Å; N136-S140 PolarHBondContact O-N 3.42Å; N136-S140 PolarHBondContact O-OG 2.72Å; E137-S140 WeakPolarHBondContact O-CB 3.49Å; E137-S140 PolarHBondContact O-N 3.04Å; E137-S140 VanDerWaalsContact O-N 3.16Å; E138-S140 VanDerWaalsContact C-N 3.34Å; E138-S140 PolarHBondContact O-N 3.04Å; S140-L143 PolarHBondContact O-N 3.13Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 3.25Å
141L91.7Very high89Confident110 Ų11098.1 Ų98.158%0.57652%0.52SS*.Hα-helixtrans-66-42.1176.3-71.3174.9000111.8E137 E138 A144 A145E137-L141 HydrophobicContact CG-CD1 4.22Å; E137-L141 WeakPolarHBondContact O-CG 3.5Å; E137-L141 PolarHBondContact O-N 3.32Å; E138-L141 PolarHBondContact O-N 3.28Å; L141-A144 PolarHBondContact O-N 2.85Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.45Å
142A93.3Very high87.8Confident61 Ų6197.8 Ų97.850%0.50453%0.529SS..Hα-helixtrans-62.7-42.1176.100000111.9E138 A145 Q146E138-A142 WeakPolarHBondContact O-CB 3.25Å; E138-A142 PolarHBondContact O-N 2.77Å; A142-A145 PolarHBondContact O-N 2.74Å; A142-Q146 PolarHBondContact O-N 3.46Å
143L90.5Very high86.3Confident100 Ų10097.2 Ų97.252%0.52453%0.529SS..Hα-helixtrans-63.2-44.6174.9-18063000111.5A139 S140 A145 Q146 L147A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.23Å; S140-L143 PolarHBondContact O-N 3.13Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.44Å; L143-Q146 PolarHBondContact O-N 3.03Å; L143-L147 HydrophobicContact CD1-CG 4.49Å; L143-L147 HydrophobicContact CG-CD1 4.29Å; L143-L147 WeakPolarHBondContact O-CG 3.43Å; L143-L147 PolarHBondContact O-N 3.49Å
144A88.3Confident84.8Confident47 Ų4797.3 Ų97.339%0.38853%0.533SS..Hα-helixtrans-60.5-42.9176.600000111.8S140 L141 Q146 L147 L148S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 3.25Å; L141-A144 PolarHBondContact O-N 2.85Å; A144-Q146 VanDerWaalsContact C-N 3.35Å; A144-Q146 PolarHBondContact O-N 3.27Å; A144-L147 PolarHBondContact O-N 3.3Å; A144-L148 WeakPolarHBondContact O-CG 3.43Å; A144-L148 PolarHBondContact O-N 3.08Å; A144-L148 VanDerWaalsContact O-N 3.07Å
145A87.7Confident82.9Confident60 Ų6096.7 Ų96.750%0.49654%0.536SS..Hα-helixtrans-62.8-39.2176.100000112.5L141 A142 L143 F149L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.45Å; A142-A145 PolarHBondContact O-N 2.74Å; L143-A145 VanDerWaalsContact C-N 3.33Å; L143-A145 PolarHBondContact O-N 3.44Å; A145-F149 PolarHBondContact O-N 3.1Å
146Q88.9Confident81.2Confident97 Ų9794.3 Ų94.345%0.45353%0.53SS..Hα-helixtrans-65.5-44.7175.8-177.3178-900112.2A142 L143 A144 L148 F149 E150A142-Q146 PolarHBondContact O-N 3.46Å; L143-Q146 PolarHBondContact O-N 3.03Å; A144-Q146 VanDerWaalsContact C-N 3.35Å; A144-Q146 PolarHBondContact O-N 3.27Å; Q146-L148 PolarHBondContact O-N 3.41Å; Q146-F149 WeakPolarHBondContact O-CB 3.3Å; Q146-F149 PolarHBondContact O-N 2.95Å; Q146-F149 VanDerWaalsContact O-N 3.17Å; Q146-E150 PolarHBondContact NE2-OE1 2.96Å; Q146-E150 PolarHBondContact O-N 2.92Å
147L86.3Confident79.5Confident82 Ų8293.9 Ų93.943%0.42954%0.54SS..Hα-helixtrans-62.7-41.3178.7-70.6171.8000112L143 A144 F149 E150 D151L143-L147 HydrophobicContact CD1-CG 4.49Å; L143-L147 HydrophobicContact CG-CD1 4.29Å; L143-L147 WeakPolarHBondContact O-CG 3.43Å; L143-L147 PolarHBondContact O-N 3.49Å; A144-L147 PolarHBondContact O-N 3.3Å; L147-F149 VanDerWaalsContact C-N 3.26Å; L147-F149 PolarHBondContact O-N 3.21Å; L147-E150 PolarHBondContact O-N 3.04Å; L147-D151 PolarHBondContact O-N 3.49Å
148L84.3Confident77.8Confident95 Ų9594.9 Ų94.950%0.49755%0.549SS..Hα-helixtrans-60.5-36.8174.7-72.5171.7000112.4A144 Q146 L153A144-L148 WeakPolarHBondContact O-CG 3.43Å; A144-L148 PolarHBondContact O-N 3.08Å; A144-L148 VanDerWaalsContact O-N 3.07Å; Q146-L148 PolarHBondContact O-N 3.41Å; L148-L153 HydrophobicContact CD2-CD1 4.38Å; L148-L153 PolarHBondContact O-N 3.26Å
149F79.3Confident75.9Confident152 Ų15293.6 Ų93.667%0.66755%0.547SS*.Hα-helixtrans-69-41175-177.6-95.3000112.2A145 Q146 L147 G152A145-F149 PolarHBondContact O-N 3.1Å; Q146-F149 WeakPolarHBondContact O-CB 3.3Å; Q146-F149 PolarHBondContact O-N 2.95Å; Q146-F149 VanDerWaalsContact O-N 3.17Å; L147-F149 VanDerWaalsContact C-N 3.26Å; L147-F149 PolarHBondContact O-N 3.21Å; F149-G152 PolarHBondContact O-N 3.37Å
150E79.3Confident74Confident120 Ų12097.7 Ų97.756%0.56156%0.561SS**Hα-helixtrans-67.8-38.8178.3-73.8178-167.600113Q146 L147 G152Q146-E150 PolarHBondContact NE2-OE1 2.96Å; Q146-E150 PolarHBondContact O-N 2.92Å; L147-E150 PolarHBondContact O-N 3.04Å; E150-G152 PolarHBondContact O-N 3.26Å; E150-G152 VanDerWaalsContact O-N 3.1Å
151D82.7Confident72Confident120 Ų120101.7 Ų101.764%0.64258%0.576SS**THydrogen-bonded Turntrans-71.50.7177.4-75.4-17.2000113.1L147 L153L147-D151 PolarHBondContact O-N 3.49Å; D151-L153 HydrophobicContact CB-CD1 4.21Å; D151-L153 HydrophobicContact CB-CG 4.1Å; D151-L153 PolarHBondContact O-N 2.86Å
152G67.9Low69.8Low53 Ų53101 Ų10155%0.54658%0.58SS.*THydrogen-bonded Turntrans68.711.9-179.600000113.5F149 E150 N154F149-G152 PolarHBondContact O-N 3.37Å; E150-G152 PolarHBondContact O-N 3.26Å; E150-G152 VanDerWaalsContact O-N 3.1Å; G152-N154 PolarHBondContact O-N 3.04Å
153L59.1Low67.4Low102 Ų102103 Ų10353%0.53459%0.591SS.*  trans-82.469.7176.6-60.9177.9000109.2L148 D151 L155L148-L153 HydrophobicContact CD2-CD1 4.38Å; L148-L153 PolarHBondContact O-N 3.26Å; D151-L153 HydrophobicContact CB-CD1 4.21Å; D151-L153 HydrophobicContact CB-CG 4.1Å; D151-L153 PolarHBondContact O-N 2.86Å; L153-L155 PolarHBondContact O-N 3.19Å
154N58.1Low64.7Low129 Ų129106.2 Ų106.269%0.6961%0.608SS**  trans-69.383.5162.3-77.5-64.6000108G152 P156G152-N154 PolarHBondContact O-N 3.04Å; N154-P156 VanDerWaalsContact O-CD 3.3Å; N154-P156 WeakPolarHBondContact O-CD 3.28Å
155L55.6Low62.5Low114 Ų114110.9 Ų110.960%0.59763%0.627SS**  trans-79.7113.3165.6-140.573.9000106.8L153 A157 I160L153-L155 PolarHBondContact O-N 3.19Å; L155-A157 PolarHBondContact O-N 2.79Å; L155-I160 HydrophobicContact CD2-CD1 4.06Å; L155-I160 HydrophobicContact CD2-CG1 3.71Å
156P53.9Low59.9Low70 Ų70115.9 Ų115.946%0.45565%0.645SS.*  trans-56.1137.1172.5-19.132.3000108.6N154 D158 D159N154-P156 VanDerWaalsContact O-CD 3.3Å; N154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-D158 PolarHBondContact O-N 2.97Å; P156-D159 PolarHBondContact O-N 3.47Å; P156-D159 VanDerWaalsContact O-N 3.1Å
157A56.8Low57.4Low85 Ų85121.2 Ų121.270%0.70266%0.663SS**THydrogen-bonded Turntrans-56.1-13-179.900000113.7L155L155-A157 PolarHBondContact O-N 2.79Å
158D54.8Low54.8Low139 Ų139124.5 Ų124.574%0.74368%0.675SS**THydrogen-bonded Turntrans-83.3-16.1-179-61.8-31.3000114.3P156P156-D158 PolarHBondContact O-N 2.97Å
159D51.7Low52.9Low111 Ų111126.3 Ų126.359%0.59468%0.684SS**SBendtrans-95.8-4.2-174.9-88.1-29.5000115.4P156 L161P156-D159 PolarHBondContact O-N 3.47Å; P156-D159 VanDerWaalsContact O-N 3.1Å; D159-L161 VanDerWaalsContact C-N 3.3Å; D159-L161 PolarHBondContact O-N 3.45Å
160I52.1Low50.6Low129 Ų129126 Ų12666%0.66269%0.685SS**THydrogen-bonded Turntrans-83-7.5-179.1-61.2174000112.1L155L155-I160 HydrophobicContact CD2-CD1 4.06Å; L155-I160 HydrophobicContact CD2-CG1 3.71Å
161L50.3Low48.8Very low159 Ų159127.8 Ų127.883%0.83270%0.698SS**THydrogen-bonded Turntrans-102.711.6-174-106.4134000115.7D159D159-L161 VanDerWaalsContact C-N 3.3Å; D159-L161 PolarHBondContact O-N 3.45Å
162S44.1Very low46.5Very low96 Ų96129 Ų12967%0.67171%0.705SS**  trans-124.715.6-169.4-59.20000117.1
163S43.6Very low45.4Very low104 Ų104135 Ų13573%0.72772%0.724SS**  trans-112.890.1169.3-920000111.7N165S163-N165 PolarHBondContact O-N 3.24Å; S163-N165 VanDerWaalsContact O-N 3.09Å
164D34.8Very low44.4Very low166 Ų166135.8 Ų135.889%0.88873%0.733SS**  trans-47.5109.1149.9-81.3-37.1000109.1
165N40.5Very low43.3Very low145 Ų145134.7 Ų134.778%0.77574%0.735SS**  trans-140.3104.2156.9-85.1-45.7000108.8S163 Y167S163-N165 PolarHBondContact O-N 3.24Å; S163-N165 VanDerWaalsContact O-N 3.09Å; N165-Y167 PolarHBondContact O-N 2.92Å
166N33.9Very low42.4Very low166 Ų166137.3 Ų137.389%0.88875%0.748SS**  trans-38.8116.8167.3-85-50.2000112.5
167Y36Very low41.7Very low209 Ų209138.3 Ų138.382%0.8276%0.762SS**  trans-141.1107.3146-142-95.1000109.8N165 I169N165-Y167 PolarHBondContact O-N 2.92Å; Y167-I169 HydrophobicContact CD1-CD1 4.07Å; Y167-I169 HydrophobicContact CD1-CG1 3.92Å; Y167-I169 HydrophobicContact CE1-CD1 4.24Å; Y167-I169 HydrophobicContact CE1-CG1 4.25Å; Y167-I169 PolarHBondContact O-N 2.75Å
168H31.4Very low40.7Very low150 Ų150139.3 Ų139.369%0.69476%0.764SS**  trans-72.6116.7176.3-135.7-61.2000108.4E170H168-E170 IonicContact CE1-OE1 3.62Å
169I44.1Very low39.8Very low133 Ų133138 Ų13868%0.68277%0.765SS**  trans-133.596.8158.9-56.8-177.1000107Y167Y167-I169 HydrophobicContact CD1-CD1 4.07Å; Y167-I169 HydrophobicContact CD1-CG1 3.92Å; Y167-I169 HydrophobicContact CE1-CD1 4.24Å; Y167-I169 HydrophobicContact CE1-CG1 4.25Å; Y167-I169 PolarHBondContact O-N 2.75Å
170E32.3Very low39.4Very low145 Ų145137.9 Ų137.968%0.67877%0.774SS**  trans-71.1131.1164.7-66-179.1157.200108.4H168H168-E170 IonicContact CE1-OE1 3.62Å
171N40.4Very low39Very low158 Ų158136.8 Ų136.885%0.84578%0.778SS**  trans-152.495.9149.5-92.3-30.7000109.4
172N35.2Very low38.4Very low145 Ų145139.7 Ų139.778%0.77578%0.777SS**  trans-58.3131.3160.9-82.8-51.4000110
173L45.5Very low38.7Very low180 Ų180141.1 Ų141.194%0.94279%0.787SS**  trans-152.1122139.8-101.5167.2000109.9
174T36.4Very low38.5Very low118 Ų118145.3 Ų145.372%0.72479%0.792SS**  trans-80138.4-161.2-42.10000114.2
175S34.9Very low38.7Very low107 Ų107141.3 Ų141.375%0.74879%0.79SS**  trans-18.3129.8151.7-21.60000118.5
176I37.8Very low38.6Very low169 Ų169140.1 Ų140.187%0.86779%0.788SS**  trans-157.3133.3137.2-38.2175000104.3
177A38.8Very low39.4Very low90 Ų90140.8 Ų140.874%0.74478%0.783SS**  cis-160157.222.200000109.9
178S36.3Very low39.9Very low107 Ų107140 Ų14075%0.74878%0.784SS**  trans-76.4149.5171.5-45.50000113
179S36.7Very low40.1Very low110 Ų110141 Ų14177%0.76979%0.786SS**  trans54.3123136.862.40000121.2
180S42.5Very low39.7Very low110 Ų110140.5 Ų140.577%0.76979%0.793SS**  -178.6109.511555.60000113.9
181S43Very low40.1Very low106 Ų106140.4 Ų140.474%0.74179%0.793SS**  trans34.5118.6131.454.30000122.8
182R38.6Very low40.1Very low220 Ų220144.2 Ų144.283%0.8380%0.795SS**  47.2125.6126.1-81.9174155.1-166.8-2.3118.8
183S51.1Low40.3Very low125 Ų125148.3 Ų148.387%0.87480%0.8SS**  -167.7149.7107.8-820000113.4
184K38Very low40.6Very low193 Ų193147.1 Ų147.184%0.83979%0.79SS**  trans-80.4137.3-164.3-64167.6172.7174.50112
185G38.5Very low40.7Very low82 Ų82151 Ų15185%0.84580%0.797SS**  trans-140.1115.8173.200000111.7
186V40.3Very low41.3Very low120 Ų120154.5 Ų154.573%0.72780%0.798SS**  trans-86151.6-169.1158.40000112.5
187K48.8Very low41.4Very low179 Ų179155.7 Ų155.778%0.77880%0.797SS**  trans90.3145.2165.7-68145-174.6-177.80116.1
188K47.5Very low41.5Very low192 Ų192156.6 Ų156.684%0.83581%0.805SS**  cis-158.7138.42.5-118.2166-175.6-175.50107
189K36.2Very low41.9Very low171 Ų171157.2 Ų157.274%0.74380%0.804SS**  trans-76.6128.1-178.2-164-172.7-159.8-169.60110.7E191K189-E191 HydrophobicContact CD-CG 3.99Å; K189-E191 WeakPolarHBondContact CE-OE1 3.27Å; K189-E191 HydrophobicContact CG-CG 4.07Å; K189-E191 IonicContact NZ-OE1 3.23Å; K189-E191 PolarHBondContact NZ-OE1 2.99Å
190C35.4Very low42.4Very low124 Ų124162.1 Ų162.184%0.83881%0.811SS**  trans-122105161.3-169.20000108.2
191E39.4Very low42.8Very low142 Ų142163 Ų16366%0.66481%0.812SS**  trans-83.2115.9178-76172.6145.400110.1K189K189-E191 HydrophobicContact CD-CG 3.99Å; K189-E191 WeakPolarHBondContact CE-OE1 3.27Å; K189-E191 HydrophobicContact CG-CG 4.07Å; K189-E191 IonicContact NZ-OE1 3.23Å; K189-E191 PolarHBondContact NZ-OE1 2.99Å
192R41.5Very low43.1Very low239 Ų239162.7 Ų162.790%0.90281%0.81SS**  trans-101.2102.6160.5-109.1178.4163.2170.9-4.2109.2Q194R192-Q194 PolarHBondContact O-N 3.01Å; R192-Q194 VanDerWaalsContact O-N 3.12Å
193R38.4Very low44Very low230 Ų230159.6 Ų159.687%0.86880%0.803SS**  trans-54.9106.3168.1-82.1174.3148.2-175.2-5.1110.4
194Q51.9Low44.6Very low156 Ų156157.6 Ų157.673%0.72979%0.785SS**  trans-97103.3158.6-68.9-171.513.600108.7R192 K196R192-Q194 PolarHBondContact O-N 3.01Å; R192-Q194 VanDerWaalsContact O-N 3.12Å; Q194-K196 PolarHBondContact O-N 3.29Å; Q194-K196 VanDerWaalsContact O-N 3.13Å
195K39.5Very low45.4Very low200 Ų200155.9 Ų155.987%0.8778%0.784SS**  trans-67101.2165.7-73.4176.5175.11780107.9
196K47.6Very low46.3Very low179 Ų179157.2 Ų157.278%0.77877%0.772SS**  trans-95.8117.6165.2-72.3-173.1178.9179.40108.7Q194Q194-K196 PolarHBondContact O-N 3.29Å; Q194-K196 VanDerWaalsContact O-N 3.13Å
197K39.5Very low47.3Very low195 Ų195156.4 Ų156.485%0.84876%0.763SS**  trans-58.2134.4175-76.2171.3171.8175.60109.3T199K197-T199 PolarHBondContact O-N 2.82Å
198A40Very low47.6Very low109 Ų109156.4 Ų156.490%0.90176%0.76SS**  trans-62.196.6173.300000110.2
199T46.1Very low48.2Very low119 Ų119149.9 Ų149.973%0.7374%0.741SS**  trans-81.2121163.147.50000107.3K197 T201K197-T199 PolarHBondContact O-N 2.82Å; T199-T201 PolarHBondContact O-N 3.32Å
200K46.3Very low49.1Very low214 Ų214147 Ų14793%0.9374%0.738SS**  trans-31.6100173.2-82.5173.11711750110.9S202K200-S202 PolarHBondContact O-N 3.49Å
201T50.2Low49.7Very low129 Ų129148.4 Ų148.479%0.79174%0.737SS**  trans-65.9120.9168.7360000106.8T199 K203T199-T201 PolarHBondContact O-N 3.32Å; T201-K203 PolarHBondContact O-N 3.3Å; T201-K203 VanDerWaalsContact O-N 3.17Å
202S49.3Very low50.3Low99 Ų99147.7 Ų147.769%0.69274%0.742SS**  trans-49118.8166.645.50000108.1K200 T204K200-S202 PolarHBondContact O-N 3.49Å; S202-T204 PolarHBondContact O-N 2.85Å
203K58.6Low50.6Low154 Ų154140.8 Ų140.867%0.6774%0.736SS**  trans-52.9113.7172.1-64.8-172.7171-179.40107.7T201 D207T201-K203 PolarHBondContact O-N 3.3Å; T201-K203 VanDerWaalsContact O-N 3.17Å; K203-D207 HydrophobicContact CB-CB 4.18Å; K203-D207 WeakPolarHBondContact CG-OD2 3.27Å
204T64.5Low51.2Low84 Ų84138.6 Ų138.652%0.51573%0.733SS.*  trans-76.9163176.2520000108.6S202 L206 D207S202-T204 PolarHBondContact O-N 2.85Å; T204-L206 PolarHBondContact O-N 3.43Å; T204-D207 PolarHBondContact O-N 3.45Å
205L54.7Low50.7Low156 Ų156137.5 Ų137.582%0.81773%0.731SS**THydrogen-bonded Turntrans-52.6-21.7174.6-101.2159.3000113.1Y208L205-Y208 PolarHBondContact O-N 2.9Å
206L56.4Low51.1Low110 Ų110132.3 Ų132.358%0.57673%0.734SS**Hα-helixtrans-65.9-31.7173.1-103.668000114.4T204 Y208 A209 V210T204-L206 PolarHBondContact O-N 3.43Å; L206-Y208 PolarHBondContact O-N 3.31Å; L206-A209 PolarHBondContact O-N 3.12Å; L206-V210 WeakPolarHBondContact O-CG2 3.4Å
207D61.1Low50.7Low103 Ų103131.7 Ų131.755%0.55173%0.732SS**Hα-helixtrans-66.4-18.4177.4-98.91.5000112.2K203 T204K203-D207 HydrophobicContact CB-CB 4.18Å; K203-D207 WeakPolarHBondContact CG-OD2 3.27Å; T204-D207 PolarHBondContact O-N 3.45Å
208Y56.1Low51.2Low180 Ų180131.3 Ų131.371%0.70673%0.73SS**Hα-helixtrans-91.9-22.8179.3-74.3-87.8000113.5L205 L206L205-Y208 PolarHBondContact O-N 2.9Å; L206-Y208 PolarHBondContact O-N 3.31Å
209A59.6Low51.5Low54 Ų54131.6 Ų131.645%0.44672%0.723SS.*Hα-helixtrans-92.9-17.6-170.200000114.7L206 N211L206-A209 PolarHBondContact O-N 3.12Å; A209-N211 PolarHBondContact O-N 3.49Å
210V54.8Low51.5Low111 Ų111133.7 Ų133.767%0.67372%0.724SS**THydrogen-bonded Turntrans-88.23.5-166178.80000114.8L206L206-V210 WeakPolarHBondContact O-CG2 3.4Å
211N48.8Very low51.9Low154 Ų154127.1 Ų127.182%0.82470%0.702SS**THydrogen-bonded Turntrans-102.618-178.2-85.6-33.4000116.2A209A209-N211 PolarHBondContact O-N 3.49Å
212T51.2Low52.3Low126 Ų126123.6 Ų123.677%0.77369%0.686SS**SBendtrans-98.8-7.1177.553.10000114K214T212-K214 PolarHBondContact O-N 2.92Å
213A48Very low53.1Low94 Ų94124 Ų12478%0.77768%0.68SS**SBendtrans-88.48-170.300000115.8
214K50.1Low53.6Low185 Ų185124.2 Ų124.280%0.80468%0.684SS**SBendtrans-128.5109.5173.7-82.4-179.5-179.5174.10110.2T212T212-K214 PolarHBondContact O-N 2.92Å
215I42.3Very low53.8Low133 Ų133124.9 Ų124.968%0.68268%0.681SS**  trans83.6124.1159.7-40.9149.1000112.7F217I215-F217 HydrophobicContact CB-CD2 4Å; I215-F217 HydrophobicContact CB-CE2 4.5Å; I215-F217 HydrophobicContact CG2-CD2 3.34Å; I215-F217 HydrophobicContact CG2-CE2 3.45Å; I215-F217 VanDerWaalsContact CG2-CE2 3.45Å; I215-F217 PolarHBondContact O-N 2.74Å
216G47.2Very low54.7Low90 Ų90121.2 Ų121.293%0.92866%0.661SS**SBendtrans-64.753.1178.400000115.1
217F40.2Very low55.7Low166 Ų166121.1 Ų121.173%0.72866%0.661SS**  trans-94.8137.7165.6-79.3-85.2000108.1I215I215-F217 HydrophobicContact CB-CD2 4Å; I215-F217 HydrophobicContact CB-CE2 4.5Å; I215-F217 HydrophobicContact CG2-CD2 3.34Å; I215-F217 HydrophobicContact CG2-CE2 3.45Å; I215-F217 VanDerWaalsContact CG2-CE2 3.45Å; I215-F217 PolarHBondContact O-N 2.74Å
218K49.5Very low56.4Low187 Ų187119.4 Ų119.481%0.81366%0.656SS**  trans-44.8141.1161.1-78.3174.9174.8175.90107.8E220K218-E220 PolarHBondContact O-N 2.99Å
219P46.7Very low57.5Low116 Ų116114.9 Ų114.975%0.75364%0.644SS**  trans-62.991.1175.327.4-32.7000107.6V221P219-V221 PolarHBondContact O-N 3.2Å
220E45.8Very low58.7Low163 Ų163116.4 Ų116.476%0.76264%0.642SS**  trans-78.184.3166.3-163.7169.5-167.200104.2K218 A222K218-E220 PolarHBondContact O-N 2.99Å; E220-A222 PolarHBondContact O-N 3.23Å
221V55.4Low60.1Low75 Ų75114.2 Ų114.246%0.45563%0.629SS.*  trans-51.2117.5163.6-177.50000104.8P219 N223 Q225 I226P219-V221 PolarHBondContact O-N 3.2Å; V221-N223 PolarHBondContact O-N 2.89Å; V221-Q225 HydrophobicContact CG1-CB 4.34Å; V221-I226 HydrophobicContact CB-CD1 4Å; V221-I226 HydrophobicContact CB-CG1 3.94Å; V221-I226 HydrophobicContact CG1-CD1 4.14Å; V221-I226 HydrophobicContact CG1-CG1 3.49Å; V221-I226 VanDerWaalsContact CG1-CG1 3.49Å
222A58.8Low61.9Low56 Ų56113.1 Ų113.146%0.46362%0.617SS.*  trans-47.2122.3-178.200000107.9E220 E224 Q225 I226E220-A222 PolarHBondContact O-N 3.23Å; A222-E224 CarbonylContact O-C 3.58Å; A222-E224 PolarHBondContact O-N 3.42Å; A222-Q225 HydrophobicContact CB-CB 4.4Å; A222-Q225 WeakPolarHBondContact O-CA 3.06Å; A222-Q225 WeakPolarHBondContact O-CB 3.44Å; A222-Q225 PolarHBondContact O-N 3.3Å; A222-I226 PolarHBondContact O-N 3.04Å
223N64.9Low63.6Low106 Ų106109.3 Ų109.357%0.56760%0.599SS**Hα-helixtrans-52-27.7-178.3-77.4-54.2000111.3V221 L227V221-N223 PolarHBondContact O-N 2.89Å; N223-L227 WeakPolarHBondContact O-CB 3.44Å; N223-L227 PolarHBondContact O-N 3.22Å
224E69Low65.6Low160 Ų160111.8 Ų111.875%0.74859%0.588SS**Hα-helixtrans-61.5-41.8170.7-63.5-175.4166.500114A222 L227 C228A222-E224 CarbonylContact O-C 3.58Å; A222-E224 PolarHBondContact O-N 3.42Å; E224-L227 WeakPolarHBondContact O-CB 3.44Å; E224-L227 PolarHBondContact O-N 2.62Å; E224-C228 PolarHBondContact O-N 2.77Å; E224-C228 PolarHBondContact O-SG 2.88Å
225Q69.7Low67.3Low97 Ų97110.1 Ų110.145%0.45358%0.58SS.*Hα-helixtrans-72.1-39.8178.4-171.660.54800111.2V221 A222 L227 C228 D229V221-Q225 HydrophobicContact CG1-CB 4.34Å; A222-Q225 HydrophobicContact CB-CB 4.4Å; A222-Q225 WeakPolarHBondContact O-CA 3.06Å; A222-Q225 WeakPolarHBondContact O-CB 3.44Å; A222-Q225 PolarHBondContact O-N 3.3Å; Q225-L227 VanDerWaalsContact C-N 3.3Å; Q225-L227 PolarHBondContact O-N 2.8Å; Q225-C228 WeakPolarHBondContact O-CB 3.43Å; Q225-C228 PolarHBondContact O-N 3.25Å; Q225-D229 PolarHBondContact NE2-OD1 3.21Å; Q225-D229 VanDerWaalsContact O-CG 3.29Å; Q225-D229 PolarHBondContact O-N 2.92Å
226I73Confident69.3Low79 Ų79106.9 Ų106.941%0.40556%0.564SS.*Hα-helixtrans-58.3-45.4171.4-58.7176.8000109.9V221 A222 C228 D229 E230V221-I226 HydrophobicContact CB-CD1 4Å; V221-I226 HydrophobicContact CB-CG1 3.94Å; V221-I226 HydrophobicContact CG1-CD1 4.14Å; V221-I226 HydrophobicContact CG1-CG1 3.49Å; V221-I226 VanDerWaalsContact CG1-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3.04Å; I226-C228 PolarHBondContact O-N 3.44Å; I226-D229 PolarHBondContact O-N 3.04Å; I226-E230 WeakPolarHBondContact O-CB 3.45Å; I226-E230 PolarHBondContact O-N 3.25Å
227L77Confident71Confident108 Ų108109.2 Ų109.257%0.56555%0.551SS**Hα-helixtrans-61.8-41.8175.9-113.5118.4000112.2N223 E224 Q225 E230 T231N223-L227 WeakPolarHBondContact O-CB 3.44Å; N223-L227 PolarHBondContact O-N 3.22Å; E224-L227 WeakPolarHBondContact O-CB 3.44Å; E224-L227 PolarHBondContact O-N 2.62Å; Q225-L227 VanDerWaalsContact C-N 3.3Å; Q225-L227 PolarHBondContact O-N 2.8Å; L227-E230 PolarHBondContact O-N 2.73Å; L227-T231 WeakPolarHBondContact O-CB 3.43Å; L227-T231 WeakPolarHBondContact O-CG2 3.47Å; L227-T231 PolarHBondContact O-N 3.43Å; L227-T231 PolarHBondContact O-OG1 3.24Å
228C76.3Confident73.2Confident67 Ų67104.9 Ų104.945%0.45354%0.538SS..Hα-helixtrans-62.2-44.4176.3-72.20000111.5E224 Q225 I226 T231 F232E224-C228 PolarHBondContact O-N 2.77Å; E224-C228 PolarHBondContact O-SG 2.88Å; Q225-C228 WeakPolarHBondContact O-CB 3.43Å; Q225-C228 PolarHBondContact O-N 3.25Å; I226-C228 PolarHBondContact O-N 3.44Å; C228-T231 PolarHBondContact O-N 2.89Å; C228-T231 PolarHBondContact O-OG1 3.41Å; C228-F232 WeakPolarHBondContact O-CB 3.27Å; C228-F232 PolarHBondContact O-N 3.1Å
229D78.8Confident74.8Confident85 Ų85102.6 Ų102.646%0.45553%0.528SS..Hα-helixtrans-70.4-38.4-179.7-66-19.1000111.4Q225 I226 F232 A233Q225-D229 PolarHBondContact NE2-OD1 3.21Å; Q225-D229 VanDerWaalsContact O-CG 3.29Å; Q225-D229 PolarHBondContact O-N 2.92Å; I226-D229 PolarHBondContact O-N 3.04Å; D229-F232 PolarHBondContact O-N 3.21Å; D229-A233 WeakPolarHBondContact O-CB 3.19Å; D229-A233 PolarHBondContact O-N 3.11Å
230E84.4Confident76.4Confident86 Ų86103 Ų10340%0.40252%0.516SS..Hα-helixtrans-64.6-42174.1-166.5-174.6169.300111.4I226 L227 A233 R234I226-E230 WeakPolarHBondContact O-CB 3.45Å; I226-E230 PolarHBondContact O-N 3.25Å; L227-E230 PolarHBondContact O-N 2.73Å; E230-A233 PolarHBondContact O-N 3.49Å; E230-R234 WeakPolarHBondContact O-CB 3.1Å; E230-R234 WeakPolarHBondContact O-CG 3.05Å; E230-R234 PolarHBondContact O-N 3.03Å; E230-R234 IonicContact OE1-CZ 2.77Å; E230-R234 VanDerWaalsContact OE1-CZ 3.23Å; E230-R234 IonicContact OE1-NE 2.8Å; E230-R234 IonicContact OE1-NH1 3.76Å; E230-R234 IonicContact OE1-NH2 3.35Å; E230-R234 PolarHBondContact OE1-NH2 3.33Å
231T85.2Confident78Confident65 Ų6598.9 Ų98.940%0.39951%0.505SS..Hα-helixtrans-67.3-36175.262.50000112.2L227 C228 K235L227-T231 WeakPolarHBondContact O-CB 3.43Å; L227-T231 WeakPolarHBondContact O-CG2 3.47Å; L227-T231 PolarHBondContact O-N 3.43Å; L227-T231 PolarHBondContact O-OG1 3.24Å; C228-T231 PolarHBondContact O-N 2.89Å; C228-T231 PolarHBondContact O-OG1 3.41Å; T231-K235 WeakPolarHBondContact O-CB 3.11Å; T231-K235 WeakPolarHBondContact O-CG 3.48Å; T231-K235 PolarHBondContact O-N 3.47Å
232F87.3Confident78.9Confident132 Ų132102.3 Ų102.358%0.57951%0.514SS*.Hα-helixtrans-66.9-45.4174.5-178.1-105.6000111.6C228 D229 K235 L236C228-F232 WeakPolarHBondContact O-CB 3.27Å; C228-F232 PolarHBondContact O-N 3.1Å; D229-F232 PolarHBondContact O-N 3.21Å; F232-K235 WeakPolarHBondContact O-CB 3.21Å; F232-K235 PolarHBondContact O-N 3.12Å; F232-L236 HydrophobicContact CD1-CD1 3.7Å; F232-L236 HydrophobicContact CE1-CD1 3.17Å; F232-L236 HydrophobicContact CE2-CD1 4.07Å; F232-L236 HydrophobicContact CG-CD1 4.36Å; F232-L236 HydrophobicContact CZ-CD1 3.38Å; F232-L236 PolarHBondContact O-N 2.89Å
233A87.2Confident79.2Confident46 Ų46104.4 Ų104.438%0.3852%0.517SS..Hα-helixtrans-60.6-44.6175.200000111.7D229 E230 K235 L236 Q237D229-A233 WeakPolarHBondContact O-CB 3.19Å; D229-A233 PolarHBondContact O-N 3.11Å; E230-A233 PolarHBondContact O-N 3.49Å; A233-K235 PolarHBondContact O-N 3Å; A233-L236 WeakPolarHBondContact O-CB 3.48Å; A233-L236 PolarHBondContact O-N 3.43Å; A233-Q237 PolarHBondContact O-N 2.84Å
234R88.1Confident79.1Confident146 Ų146104.7 Ų104.755%0.55152%0.518SS*.Hα-helixtrans-61.8-39.7173.8-78.2-172179147.310.8112.5E230 Q237 T238E230-R234 WeakPolarHBondContact O-CB 3.1Å; E230-R234 WeakPolarHBondContact O-CG 3.05Å; E230-R234 PolarHBondContact O-N 3.03Å; E230-R234 IonicContact OE1-CZ 2.77Å; E230-R234 VanDerWaalsContact OE1-CZ 3.23Å; E230-R234 IonicContact OE1-NE 2.8Å; E230-R234 IonicContact OE1-NH1 3.76Å; E230-R234 IonicContact OE1-NH2 3.35Å; E230-R234 PolarHBondContact OE1-NH2 3.33Å; R234-Q237 PolarHBondContact O-N 3.17Å; R234-T238 WeakPolarHBondContact O-CB 3.35Å; R234-T238 PolarHBondContact O-N 3.14Å; R234-T238 PolarHBondContact O-OG1 3Å
235K87.7Confident78.6Confident149 Ų14998.9 Ų98.965%0.64850%0.501SS*.Hα-helixtrans-62.6-43.4174-80.1173.8-178.1170.90111.5T231 F232 A233 T238 K239T231-K235 WeakPolarHBondContact O-CB 3.11Å; T231-K235 WeakPolarHBondContact O-CG 3.48Å; T231-K235 PolarHBondContact O-N 3.47Å; F232-K235 WeakPolarHBondContact O-CB 3.21Å; F232-K235 PolarHBondContact O-N 3.12Å; A233-K235 PolarHBondContact O-N 3Å; K235-T238 PolarHBondContact O-N 3.35Å; K235-K239 WeakPolarHBondContact O-CB 3.12Å; K235-K239 PolarHBondContact O-N 2.92Å
236L84.2Confident78Confident66 Ų6699.3 Ų99.335%0.34651%0.506SS..Hα-helixtrans-60.9-52.7174.6-110.6127.8000111F232 A233 T238 K239 Y240F232-L236 HydrophobicContact CD1-CD1 3.7Å; F232-L236 HydrophobicContact CE1-CD1 3.17Å; F232-L236 HydrophobicContact CE2-CD1 4.07Å; F232-L236 HydrophobicContact CG-CD1 4.36Å; F232-L236 HydrophobicContact CZ-CD1 3.38Å; F232-L236 PolarHBondContact O-N 2.89Å; A233-L236 WeakPolarHBondContact O-CB 3.48Å; A233-L236 PolarHBondContact O-N 3.43Å; L236-T238 VanDerWaalsContact C-N 3.3Å; L236-T238 PolarHBondContact O-N 2.89Å; L236-K239 WeakPolarHBondContact O-CB 3.26Å; L236-K239 PolarHBondContact O-N 3.04Å; L236-K239 VanDerWaalsContact O-N 3.08Å; L236-Y240 HydrophobicContact CD2-CD2 3.82Å; L236-Y240 HydrophobicContact CD2-CE2 3.44Å; L236-Y240 VanDerWaalsContact CD2-CE2 3.44Å; L236-Y240 HydrophobicContact CG-CD2 4.48Å; L236-Y240 HydrophobicContact CG-CE2 4.25Å; L236-Y240 VanDerWaalsContact O-CD2 3.24Å; L236-Y240 WeakPolarHBondContact O-CD2 3.2Å; L236-Y240 PolarHBondContact O-N 3.05Å
237Q83Confident77.1Confident138 Ų13898.4 Ų98.465%0.64550%0.504SS*.Hα-helixtrans-57.1-43.1177.6-77.6-179.2-13.700111.9A233 R234 K239 Y240 S241A233-Q237 PolarHBondContact O-N 2.84Å; R234-Q237 PolarHBondContact O-N 3.17Å; Q237-K239 VanDerWaalsContact C-N 3.35Å; Q237-K239 PolarHBondContact O-N 3.35Å; Q237-Y240 PolarHBondContact O-N 3.32Å; Q237-S241 WeakPolarHBondContact O-CA 3.32Å; Q237-S241 WeakPolarHBondContact O-CB 3.23Å; Q237-S241 PolarHBondContact O-N 3.27Å
238T85.3Confident76.1Confident76 Ų7698.6 Ų98.647%0.46650%0.502SS..Hα-helixtrans-64.2-40.4176.8-52.70000111.6R234 K235 L236 K242R234-T238 WeakPolarHBondContact O-CB 3.35Å; R234-T238 PolarHBondContact O-N 3.14Å; R234-T238 PolarHBondContact O-OG1 3Å; K235-T238 PolarHBondContact O-N 3.35Å; L236-T238 VanDerWaalsContact C-N 3.3Å; L236-T238 PolarHBondContact O-N 2.89Å; T238-K242 WeakPolarHBondContact O-CG 3.37Å; T238-K242 PolarHBondContact O-N 2.69Å
239K83.1Confident75Confident138 Ų138101.6 Ų101.660%0.651%0.51SS*.Hα-helixtrans-65.2-43.9178-173.1-179.7179.4-1760111.7K235 L236 Q237K235-K239 WeakPolarHBondContact O-CB 3.12Å; K235-K239 PolarHBondContact O-N 2.92Å; L236-K239 WeakPolarHBondContact O-CB 3.26Å; L236-K239 PolarHBondContact O-N 3.04Å; L236-K239 VanDerWaalsContact O-N 3.08Å; Q237-K239 VanDerWaalsContact C-N 3.35Å; Q237-K239 PolarHBondContact O-N 3.35Å
240Y80.6Confident73.8Confident124 Ų124103.7 Ų103.749%0.48652%0.517SS..Hα-helixtrans-83.2-27.6-178.3-73.8-78.1000113.5L236 Q237 K242 L243 L244L236-Y240 HydrophobicContact CD2-CD2 3.82Å; L236-Y240 HydrophobicContact CD2-CE2 3.44Å; L236-Y240 VanDerWaalsContact CD2-CE2 3.44Å; L236-Y240 HydrophobicContact CG-CD2 4.48Å; L236-Y240 HydrophobicContact CG-CE2 4.25Å; L236-Y240 VanDerWaalsContact O-CD2 3.24Å; L236-Y240 WeakPolarHBondContact O-CD2 3.2Å; L236-Y240 PolarHBondContact O-N 3.05Å; Q237-Y240 PolarHBondContact O-N 3.32Å; Y240-K242 VanDerWaalsContact C-N 3.34Å; Y240-L243 HydrophobicContact CD1-CD1 3.85Å; Y240-L243 HydrophobicContact CE1-CD1 4.18Å; Y240-L243 WeakPolarHBondContact O-CB 3.48Å; Y240-L243 PolarHBondContact O-N 2.94Å; Y240-L243 VanDerWaalsContact O-N 3.08Å; Y240-L244 PolarHBondContact O-N 3.01Å
241S79.5Confident72.6Confident78 Ų78106.7 Ų106.755%0.54553%0.528SS..Hα-helixtrans-64.4-38.4171.9179.70000111.5Q237 L243 L244 G245Q237-S241 WeakPolarHBondContact O-CA 3.32Å; Q237-S241 WeakPolarHBondContact O-CB 3.23Å; Q237-S241 PolarHBondContact O-N 3.27Å; S241-L243 PolarHBondContact O-N 3.38Å; S241-L244 PolarHBondContact O-N 2.8Å; S241-G245 PolarHBondContact O-N 2.95Å
242K73.1Confident71.3Confident146 Ų146112.3 Ų112.364%0.63554%0.542SS*.Hα-helixtrans-61.7-31.2170.7-71.8175.6-178.3-176.50113T238 Y240 N246T238-K242 WeakPolarHBondContact O-CG 3.37Å; T238-K242 PolarHBondContact O-N 2.69Å; Y240-K242 VanDerWaalsContact C-N 3.34Å; K242-N246 VanDerWaalsContact O-CG 3.27Å; K242-N246 PolarHBondContact O-ND2 3.3Å
243L66.9Low69.9Low101 Ų101112 Ų11253%0.52955%0.546SS..Hα-helixtrans-77.1-37.1175.5-67.7169000111.6Y240 S241 T247Y240-L243 HydrophobicContact CD1-CD1 3.85Å; Y240-L243 HydrophobicContact CE1-CD1 4.18Å; Y240-L243 WeakPolarHBondContact O-CB 3.48Å; Y240-L243 PolarHBondContact O-N 2.94Å; Y240-L243 VanDerWaalsContact O-N 3.08Å; S241-L243 PolarHBondContact O-N 3.38Å; L243-T247 VanDerWaalsContact O-CG2 3.3Å; L243-T247 WeakPolarHBondContact O-CG2 3.15Å; L243-T247 PolarHBondContact O-N 3.35Å
244L61.9Low68.6Low112 Ų112117.6 Ų117.659%0.58656%0.561SS**Hα-helixtrans-76.5-39.6179.5-79155.7000113Y240 S241 N246 T247 E248Y240-L244 PolarHBondContact O-N 3.01Å; S241-L244 PolarHBondContact O-N 2.8Å; L244-N246 VanDerWaalsContact C-N 3.33Å; L244-N246 PolarHBondContact O-N 3.45Å; L244-T247 WeakPolarHBondContact CA-OG1 3.18Å; L244-T247 PolarHBondContact O-N 3.29Å; L244-T247 PolarHBondContact O-OG1 3.1Å; L244-E248 PolarHBondContact O-N 3.32Å
245G59.1Low67.2Low38 Ų38115.4 Ų115.439%0.39257%0.569SS.*Hα-helixtrans-61.5-39.4176.400000112.7S241 T247 E248 E249S241-G245 PolarHBondContact O-N 2.95Å; G245-T247 PolarHBondContact O-N 3.14Å; G245-E248 PolarHBondContact O-N 3.24Å; G245-E249 PolarHBondContact O-N 2.71Å
246N55.6Low65.8Low105 Ų105119.3 Ų119.356%0.56158%0.579SS**Hα-helixtrans-68.1-24.3174.5-70.70.8000112.6K242 L244 H250K242-N246 VanDerWaalsContact O-CG 3.27Å; K242-N246 PolarHBondContact O-ND2 3.3Å; L244-N246 VanDerWaalsContact C-N 3.33Å; L244-N246 PolarHBondContact O-N 3.45Å; N246-H250 WeakPolarHBondContact O-CB 3.44Å; N246-H250 PolarHBondContact O-N 3.48Å
247T55Low64.1Low60 Ų60128.2 Ų128.237%0.36862%0.616SS.*Hα-helixtrans-83.9-29.6176.862.80000113.4L243 L244 G245 K251L243-T247 VanDerWaalsContact O-CG2 3.3Å; L243-T247 WeakPolarHBondContact O-CG2 3.15Å; L243-T247 PolarHBondContact O-N 3.35Å; L244-T247 WeakPolarHBondContact CA-OG1 3.18Å; L244-T247 PolarHBondContact O-N 3.29Å; L244-T247 PolarHBondContact O-OG1 3.1Å; G245-T247 PolarHBondContact O-N 3.14Å; T247-K251 WeakPolarHBondContact O-CB 3.4Å; T247-K251 WeakPolarHBondContact O-CG 3.46Å; T247-K251 PolarHBondContact O-N 2.73Å
248E54.9Low63.1Low112 Ų112127.8 Ų127.852%0.52361%0.614SS.*Hα-helixtrans-70.9-40.5173.6-75.9-107.8140.100111.3L244 G245 K251 R252L244-E248 PolarHBondContact O-N 3.32Å; G245-E248 PolarHBondContact O-N 3.24Å; E248-K251 PolarHBondContact O-N 3.07Å; E248-R252 WeakPolarHBondContact O-CB 3.34Å; E248-R252 WeakPolarHBondContact O-CG 3.44Å; E248-R252 PolarHBondContact O-N 2.94Å
249E54.8Low62Low130 Ų130130.5 Ų130.561%0.60762%0.622SS**Hα-helixtrans-65.6-41.6174.4-123.5177.7172.800111.4G245 K251 R252 L253G245-E249 PolarHBondContact O-N 2.71Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.49Å; E249-R252 PolarHBondContact O-N 3.37Å; E249-L253 WeakPolarHBondContact O-CB 3.37Å; E249-L253 WeakPolarHBondContact O-CD1 3.49Å; E249-L253 PolarHBondContact O-N 3.07Å
250H53.8Low60.8Low130 Ų130130.1 Ų130.160%0.60262%0.623SS**Hα-helixtrans-67.8-28.8175.4-113.7-71.9000114.1N246 K254N246-H250 WeakPolarHBondContact O-CB 3.44Å; N246-H250 PolarHBondContact O-N 3.48Å; H250-K254 WeakPolarHBondContact O-CB 3.29Å; H250-K254 WeakPolarHBondContact O-CG 3.42Å; H250-K254 PolarHBondContact O-N 2.87Å
251K58.3Low59.6Low148 Ų148130.4 Ų130.464%0.64363%0.631SS**Hα-helixtrans-78.5-37.8175-76.1173.5-176.7179.70111.8T247 E248 E249 K254 S255T247-K251 WeakPolarHBondContact O-CB 3.4Å; T247-K251 WeakPolarHBondContact O-CG 3.46Å; T247-K251 PolarHBondContact O-N 2.73Å; E248-K251 PolarHBondContact O-N 3.07Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.49Å; K251-K254 PolarHBondContact O-N 2.84Å; K251-S255 PolarHBondContact O-N 3.34Å
252R59Low58.4Low184 Ų184133.7 Ų133.769%0.69464%0.636SS**Hα-helixtrans-69.5-35.3175-72.8-178-177.5-1621.8112.9E248 E249E248-R252 WeakPolarHBondContact O-CB 3.34Å; E248-R252 WeakPolarHBondContact O-CG 3.44Å; E248-R252 PolarHBondContact O-N 2.94Å; E249-R252 PolarHBondContact O-N 3.37Å
253L57.8Low57.4Low124 Ų124132.9 Ų132.965%0.64964%0.637SS**Hα-helixtrans-74.6-26.8175-85.5147.2000113.4E249E249-L253 WeakPolarHBondContact O-CB 3.37Å; E249-L253 WeakPolarHBondContact O-CD1 3.49Å; E249-L253 PolarHBondContact O-N 3.07Å
254K58.4Low56.7Low164 Ų164135.1 Ų135.171%0.71364%0.644SS**Hα-helixtrans-79.1-20.1173.7-84.4-176.5174.3-177.70114.2H250 K251 R256H250-K254 WeakPolarHBondContact O-CB 3.29Å; H250-K254 WeakPolarHBondContact O-CG 3.42Å; H250-K254 PolarHBondContact O-N 2.87Å; K251-K254 PolarHBondContact O-N 2.84Å; K254-R256 VanDerWaalsContact C-N 3.34Å
255S59.8Low56.3Low101 Ų101136.9 Ų136.971%0.70665%0.649SS**THydrogen-bonded Turntrans-89.32.8175.7-171.90000113.7K251K251-S255 PolarHBondContact O-N 3.34Å
256R56.8Low56.1Low230 Ų230145.2 Ų145.287%0.86867%0.67SS**  trans-116.813.8-176.6-112.2-179.2166.9-178.8-4.1114.1K254K254-R256 VanDerWaalsContact C-N 3.34Å
257K48.7Very low56.1Low254 Ų254148.8 Ų148.8100%1.10468%0.68SS**  trans-115.70163.3-87.1-174.8174-1780108.3

Retrieved 257 of 257 residues in 336.8 ms (Link to these results)

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