A0A5K4EDF6_SCHMA Loading...

MARVEL domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EDF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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
1M32.1Very low50.9Low227 Ų227104.6 Ų104.6100%1.11855%0.546SS*.  0115.70-76.6165.1170.500107.1L3M1-L3 PolarHBondContact O-N 3.1Å
2P43.3Very low51.8Low115 Ų11599.3 Ų99.375%0.74751%0.513SS*.  trans-64.1108.5167.228-28.6000105.3N4P2-N4 PolarHBondContact O-N 2.86Å; P2-N4 PolarHBondContact O-OD1 3.34Å
3L43.7Very low52.6Low92 Ų9293.4 Ų93.448%0.48249%0.488SS..  trans-54114.9168.4-90.7124.4000105.8M1 A5 L131M1-L3 PolarHBondContact O-N 3.1Å; L3-A5 PolarHBondContact O-N 3.47Å; L3-A5 VanDerWaalsContact O-N 3.13Å; L3-L131 HydrophobicContact CB-CD1 3.96Å; L3-L131 HydrophobicContact CB-CD2 3.21Å; L3-L131 HydrophobicContact CB-CG 4.09Å; L3-L131 HydrophobicContact CD1-CB 4.32Å; L3-L131 HydrophobicContact CD1-CD2 4.05Å; L3-L131 HydrophobicContact CD2-CD2 4.11Å; L3-L131 HydrophobicContact CG-CD2 3.97Å
4N51.4Low53.5Low107 Ų10793.1 Ų93.157%0.57249%0.492SS*.  trans-53.1122.5-165.8-63.6-35.9000108.6P2 E6 Y7 A8P2-N4 PolarHBondContact O-N 2.86Å; P2-N4 PolarHBondContact O-OD1 3.34Å; N4-E6 HydrophobicContact CB-CB 4.13Å; N4-E6 PolarHBondContact O-N 2.77Å; N4-Y7 WeakPolarHBondContact O-CB 3.31Å; N4-Y7 PolarHBondContact O-N 2.92Å; N4-A8 PolarHBondContact O-N 3.15Å
5A52.5Low54.2Low85 Ų8589.9 Ų89.970%0.70247%0.472SS*.Hα-helixtrans-53.2-25.9172.200000111.4L3 R9L3-A5 PolarHBondContact O-N 3.47Å; L3-A5 VanDerWaalsContact O-N 3.13Å; A5-R9 WeakPolarHBondContact O-CB 3.44Å; A5-R9 PolarHBondContact O-N 3.46Å
6E55.4Low55.1Low104 Ų10485 Ų8549%0.48645%0.446SS..Hα-helixtrans-55.7-49.8167.6-65.8-81.7134.300112.8N4 R9 E10N4-E6 HydrophobicContact CB-CB 4.13Å; N4-E6 PolarHBondContact O-N 2.77Å; E6-R9 WeakPolarHBondContact O-CB 3.45Å; E6-R9 PolarHBondContact O-N 2.92Å; E6-R9 IonicContact OE1-CZ 3.8Å; E6-R9 IonicContact OE1-NH1 3.66Å; E6-R9 IonicContact OE1-NH2 3.79Å; E6-R9 PolarHBondContact OE1-NH2 3.1Å; E6-R9 IonicContact OE2-CZ 2.92Å; E6-R9 IonicContact OE2-NH2 3.59Å; E6-R9 PolarHBondContact OE2-NH2 3.23Å; E6-E10 WeakPolarHBondContact O-CG 3.37Å; E6-E10 PolarHBondContact O-N 2.68Å
7Y53Low55.8Low135 Ų13584.9 Ų84.953%0.52945%0.445SS..Hα-helixtrans-67.3-41-178.8-172.6-100.1000112N4 R9 E10 L11N4-Y7 WeakPolarHBondContact O-CB 3.31Å; N4-Y7 PolarHBondContact O-N 2.92Å; Y7-R9 PolarHBondContact O-N 3.49Å; Y7-E10 PolarHBondContact O-N 2.75Å; Y7-L11 HydrophobicContact CE1-CD1 4.42Å; Y7-L11 PolarHBondContact O-N 2.92Å
8A50Low56.3Low24 Ų2481.8 Ų81.820%0.19843%0.429CS..Hα-helixtrans-62.7-34.4174.900000111.8N4 R12N4-A8 PolarHBondContact O-N 3.15Å; A8-R12 VanDerWaalsContact O-CB 3.26Å; A8-R12 WeakPolarHBondContact O-CB 3.3Å; A8-R12 PolarHBondContact O-N 3.48Å
9R55.1Low56.8Low96 Ų9678.2 Ų78.236%0.36241%0.409SS..Hα-helixtrans-68.2-41.5174.4-170.9178.768-164.6-7.5111.6A5 E6 Y7 A13A5-R9 WeakPolarHBondContact O-CB 3.44Å; A5-R9 PolarHBondContact O-N 3.46Å; E6-R9 WeakPolarHBondContact O-CB 3.45Å; E6-R9 PolarHBondContact O-N 2.92Å; E6-R9 IonicContact OE1-CZ 3.8Å; E6-R9 IonicContact OE1-NH1 3.66Å; E6-R9 IonicContact OE1-NH2 3.79Å; E6-R9 PolarHBondContact OE1-NH2 3.1Å; E6-R9 IonicContact OE2-CZ 2.92Å; E6-R9 IonicContact OE2-NH2 3.59Å; E6-R9 PolarHBondContact OE2-NH2 3.23Å; Y7-R9 PolarHBondContact O-N 3.49Å; R9-A13 PolarHBondContact O-N 3.48Å; R9-A13 VanDerWaalsContact O-N 3.16Å
10E61.7Low57.4Low116 Ų11678.3 Ų78.354%0.54241%0.406SS..Hα-helixtrans-66.5-51.4177.7-74-179.4175.900112.6E6 Y7 R12 A13 V14E6-E10 WeakPolarHBondContact O-CG 3.37Å; E6-E10 PolarHBondContact O-N 2.68Å; Y7-E10 PolarHBondContact O-N 2.75Å; E10-R12 PolarHBondContact O-N 3.15Å; E10-A13 PolarHBondContact O-N 3.19Å; E10-A13 VanDerWaalsContact O-N 3.13Å; E10-V14 WeakPolarHBondContact O-CG2 3.48Å; E10-V14 PolarHBondContact O-N 2.88Å; E10-V14 VanDerWaalsContact O-N 3.09Å
11L61.4Low58Low50 Ų5076.1 Ų76.126%0.26240%0.398SS..Hα-helixtrans-57.3-40.4-179.8-163.484.8000111Y7 V14 F15Y7-L11 HydrophobicContact CE1-CD1 4.42Å; Y7-L11 PolarHBondContact O-N 2.92Å; L11-V14 WeakPolarHBondContact O-CB 3.41Å; L11-V14 PolarHBondContact O-N 3.27Å; L11-F15 HydrophobicContact CD2-CD2 4.5Å; L11-F15 HydrophobicContact CD2-CE2 3.7Å; L11-F15 HydrophobicContact CG-CD2 4.21Å; L11-F15 HydrophobicContact CG-CE2 3.72Å; L11-F15 WeakPolarHBondContact O-CD2 2.95Å; L11-F15 PolarHBondContact O-N 3.32Å; L11-F15 VanDerWaalsContact O-N 3.08Å
12R62.6Low59.6Low40 Ų4066.4 Ų66.415%0.15135%0.35CS..Hα-helixtrans-68.7-37.1178.9-170174.3-62-177-0.9113.6A8 E10 V14 F15 K16 E79 E134A8-R12 VanDerWaalsContact O-CB 3.26Å; A8-R12 WeakPolarHBondContact O-CB 3.3Å; A8-R12 PolarHBondContact O-N 3.48Å; E10-R12 PolarHBondContact O-N 3.15Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-F15 PolarHBondContact O-N 2.86Å; R12-K16 PolarHBondContact O-N 2.75Å; R12-E79 WeakPolarHBondContact CD-OE2 3.43Å; R12-E79 IonicContact CZ-OE2 2.59Å; R12-E79 IonicContact NE-OE2 3.4Å; R12-E79 IonicContact NH1-OE2 3.34Å; R12-E79 PolarHBondContact NH1-OE2 2.9Å; R12-E134 IonicContact NH2-OE1 3.71Å
13A61.4Low60.6Low23 Ų2361.1 Ų61.119%0.1932%0.317CS..Hα-helixtrans-63.9-41.4173.900000111.1R9 E10 F15 K16 I17R9-A13 PolarHBondContact O-N 3.48Å; R9-A13 VanDerWaalsContact O-N 3.16Å; E10-A13 PolarHBondContact O-N 3.19Å; E10-A13 VanDerWaalsContact O-N 3.13Å; A13-F15 VanDerWaalsContact C-N 3.31Å; A13-F15 PolarHBondContact O-N 3.05Å; A13-K16 PolarHBondContact O-N 3.02Å; A13-I17 WeakPolarHBondContact O-CG1 3.26Å; A13-I17 PolarHBondContact O-N 3.34Å
14V64.9Low61.7Low90 Ų9059.6 Ų59.655%0.54531%0.311SS..Hα-helixtrans-59.4-42.9175176.10000111E10 L11 R12 K16 I17 L18E10-V14 WeakPolarHBondContact O-CG2 3.48Å; E10-V14 PolarHBondContact O-N 2.88Å; E10-V14 VanDerWaalsContact O-N 3.09Å; L11-V14 WeakPolarHBondContact O-CB 3.41Å; L11-V14 PolarHBondContact O-N 3.27Å; R12-V14 VanDerWaalsContact C-N 3.33Å; V14-K16 VanDerWaalsContact C-N 3.32Å; V14-K16 PolarHBondContact O-N 3.36Å; V14-I17 PolarHBondContact O-N 2.59Å; V14-L18 PolarHBondContact O-N 3.28Å
15F64.7Low62.4Low44 Ų4455.4 Ų55.419%0.19329%0.294CS..Hα-helixtrans-61.7-35.5177.3-79.3-60.4000113.8L11 R12 A13 L18 E19 A138 L141L11-F15 HydrophobicContact CD2-CD2 4.5Å; L11-F15 HydrophobicContact CD2-CE2 3.7Å; L11-F15 HydrophobicContact CG-CD2 4.21Å; L11-F15 HydrophobicContact CG-CE2 3.72Å; L11-F15 WeakPolarHBondContact O-CD2 2.95Å; L11-F15 PolarHBondContact O-N 3.32Å; L11-F15 VanDerWaalsContact O-N 3.08Å; R12-F15 PolarHBondContact O-N 2.86Å; A13-F15 VanDerWaalsContact C-N 3.31Å; A13-F15 PolarHBondContact O-N 3.05Å; F15-L18 HydrophobicContact CD1-CD2 4.44Å; F15-L18 WeakPolarHBondContact O-CB 3.05Å; F15-L18 PolarHBondContact O-N 3.12Å; F15-E19 WeakPolarHBondContact O-CB 3.38Å; F15-E19 PolarHBondContact O-N 3.13Å; F15-A138 HydrophobicContact CZ-CB 4.41Å; F15-L141 HydrophobicContact CD1-CD1 4.04Å; F15-L141 HydrophobicContact CD2-CD1 4.22Å; F15-L141 HydrophobicContact CE1-CD1 3.92Å; F15-L141 HydrophobicContact CE2-CD1 4.09Å; F15-L141 HydrophobicContact CG-CD1 4.2Å; F15-L141 HydrophobicContact CZ-CD1 3.95Å
16K68Low62.9Low12 Ų1251.6 Ų51.65%0.05226%0.261CS..Hα-helixtrans-69.4-38.8175.7-70.9-176.9-177.9171.70112.6R12 A13 V14 L18 E19 F20 F59 F60 H63 E79R12-K16 PolarHBondContact O-N 2.75Å; A13-K16 PolarHBondContact O-N 3.02Å; V14-K16 VanDerWaalsContact C-N 3.32Å; V14-K16 PolarHBondContact O-N 3.36Å; K16-L18 VanDerWaalsContact C-N 3.26Å; K16-L18 PolarHBondContact O-N 2.94Å; K16-E19 WeakPolarHBondContact O-CB 3.37Å; K16-E19 PolarHBondContact O-N 3.06Å; K16-F20 WeakPolarHBondContact O-CB 3.38Å; K16-F20 PolarHBondContact O-N 2.92Å; K16-F59 PolarHBondContact NZ-O 3.43Å; K16-F60 HydrophobicContact CB-CD2 4.06Å; K16-F60 HydrophobicContact CD-CB 4.42Å; K16-F60 HydrophobicContact CD-CD2 4.3Å; K16-H63 VanDerWaalsContact NZ-CB 3.28Å; K16-E79 IonicContact NZ-OE1 3.75Å; K16-E79 PolarHBondContact NZ-OE1 3.31Å
17I67.3Low63.4Low83 Ų8348.7 Ų48.743%0.42625%0.248SC..Hα-helixtrans-63-40.8174.8-65.7164.6000109.4A13 V14 F20 S21 F60A13-I17 WeakPolarHBondContact O-CG1 3.26Å; A13-I17 PolarHBondContact O-N 3.34Å; V14-I17 PolarHBondContact O-N 2.59Å; I17-F20 PolarHBondContact O-N 3.01Å; I17-S21 WeakPolarHBondContact O-CB 3.31Å; I17-S21 PolarHBondContact O-N 3.29Å; I17-S21 PolarHBondContact O-OG 2.96Å; I17-F60 HydrophobicContact CD1-CE2 4.15Å; I17-F60 HydrophobicContact CD1-CZ 4.31Å; I17-F60 HydrophobicContact CG1-CE2 3.79Å; I17-F60 HydrophobicContact CG1-CZ 4.09Å
18L65.1Low64Low30 Ų3046.1 Ų46.116%0.15725%0.247CC..Hα-helixtrans-65.1-41.6174.5-168.374.6000112.1V14 F15 K16 F20 S21 I22 Y145 I169V14-L18 PolarHBondContact O-N 3.28Å; F15-L18 HydrophobicContact CD1-CD2 4.44Å; F15-L18 WeakPolarHBondContact O-CB 3.05Å; F15-L18 PolarHBondContact O-N 3.12Å; K16-L18 VanDerWaalsContact C-N 3.26Å; K16-L18 PolarHBondContact O-N 2.94Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 3.31Å; L18-S21 PolarHBondContact O-N 2.76Å; L18-S21 PolarHBondContact O-OG 3.37Å; L18-I22 HydrophobicContact CD1-CD1 4.33Å; L18-I22 HydrophobicContact CD2-CD1 4.4Å; L18-I22 HydrophobicContact CG-CD1 3.87Å; L18-I22 WeakPolarHBondContact O-CB 3.48Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I22 PolarHBondContact O-N 3.2Å; L18-Y145 HydrophobicContact CD2-CE2 4.45Å; L18-I169 HydrophobicContact CD1-CG2 4.3Å
19E65.2Low64.4Low13 Ų1346 Ų466%0.06124%0.244CC..Hα-helixtrans-61.1-45.7176.6-161.3179.1137.400111.5F15 K16 I22 G23 C86 Y145F15-E19 WeakPolarHBondContact O-CB 3.38Å; F15-E19 PolarHBondContact O-N 3.13Å; K16-E19 WeakPolarHBondContact O-CB 3.37Å; K16-E19 PolarHBondContact O-N 3.06Å; E19-I22 PolarHBondContact O-N 3.05Å; E19-G23 PolarHBondContact O-N 2.86Å; E19-C86 VanDerWaalsContact CD-SG 3.56Å; E19-C86 WeakPolarHBondContact OE1-CB 3.01Å; E19-C86 PolarHBondContact OE1-SG 2.8Å; E19-Y145 WeakPolarHBondContact CA-OH 3.44Å; E19-Y145 WeakPolarHBondContact CB-OH 3.26Å; E19-Y145 WeakPolarHBondContact CG-OH 3.35Å; E19-Y145 PolarHBondContact N-OH 2.81Å
20F69.2Low64.7Low80 Ų8041.9 Ų41.935%0.35123%0.23SC..Hα-helixtrans-64.4-45.8176.8-179.2-101.8000111.5K16 I17 L18 I22 G23 V24 A53 L57K16-F20 WeakPolarHBondContact O-CB 3.38Å; K16-F20 PolarHBondContact O-N 2.92Å; I17-F20 PolarHBondContact O-N 3.01Å; L18-F20 VanDerWaalsContact C-N 3.34Å; L18-F20 PolarHBondContact O-N 3.31Å; F20-I22 VanDerWaalsContact C-N 3.29Å; F20-I22 PolarHBondContact O-N 2.99Å; F20-G23 PolarHBondContact O-N 2.84Å; F20-V24 HydrophobicContact CD1-CG2 4.29Å; F20-V24 HydrophobicContact CD2-CG2 4.5Å; F20-V24 HydrophobicContact CE1-CG2 3.86Å; F20-V24 HydrophobicContact CE2-CG2 4.08Å; F20-V24 HydrophobicContact CZ-CG2 3.75Å; F20-V24 WeakPolarHBondContact O-CG2 3.5Å; F20-V24 PolarHBondContact O-N 3.42Å; F20-A53 HydrophobicContact CE2-CB 4.5Å; F20-L57 HydrophobicContact CD2-CB 4.34Å; F20-L57 HydrophobicContact CE2-CB 4.24Å; F20-L57 HydrophobicContact CE2-CD1 4.39Å
21S71.1Confident64.7Low32 Ų3240.3 Ų40.322%0.22423%0.228CC..Hα-helixtrans-63.4-37.3179.773.10000112I17 L18 G25I17-S21 WeakPolarHBondContact O-CB 3.31Å; I17-S21 PolarHBondContact O-N 3.29Å; I17-S21 PolarHBondContact O-OG 2.96Å; L18-S21 PolarHBondContact O-N 2.76Å; L18-S21 PolarHBondContact O-OG 3.37Å; S21-G25 PolarHBondContact O-N 2.98Å
22I64.5Low64.8Low23 Ų2342.4 Ų42.412%0.11824%0.242CC..Hα-helixtrans-70.1-42.4175.8-73.1170.7000111.3L18 E19 F20 V24 G25 L26 Y145 Y148L18-I22 HydrophobicContact CD1-CD1 4.33Å; L18-I22 HydrophobicContact CD2-CD1 4.4Å; L18-I22 HydrophobicContact CG-CD1 3.87Å; L18-I22 WeakPolarHBondContact O-CB 3.48Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I22 PolarHBondContact O-N 3.2Å; E19-I22 PolarHBondContact O-N 3.05Å; F20-I22 VanDerWaalsContact C-N 3.29Å; F20-I22 PolarHBondContact O-N 2.99Å; I22-V24 VanDerWaalsContact C-N 3.34Å; I22-V24 PolarHBondContact O-N 3.2Å; I22-G25 PolarHBondContact O-N 3.49Å; I22-L26 WeakPolarHBondContact O-CB 3.45Å; I22-L26 PolarHBondContact O-N 3.34Å; I22-Y145 HydrophobicContact CB-CE1 4.28Å; I22-Y145 HydrophobicContact CD1-CD1 3.27Å; I22-Y145 HydrophobicContact CD1-CE1 3.3Å; I22-Y145 HydrophobicContact CD1-CG 4.2Å; I22-Y145 HydrophobicContact CG1-CE1 4.35Å; I22-Y145 HydrophobicContact CG2-CD1 4.32Å; I22-Y145 HydrophobicContact CG2-CE1 4.25Å; I22-Y148 VanDerWaalsContact CG2-CB 3.48Å; I22-Y148 HydrophobicContact CG2-CD1 3.26Å; I22-Y148 HydrophobicContact CG2-CD2 4.2Å; I22-Y148 HydrophobicContact CG2-CE1 3.98Å; I22-Y148 HydrophobicContact CG2-CG 3.4Å
23G65Low64.4Low5 Ų540.9 Ų40.95%0.05224%0.238CC..Hα-helixtrans-58.5-45.4173.800000112.1E19 F20 L26 I27E19-G23 PolarHBondContact O-N 2.86Å; F20-G23 PolarHBondContact O-N 2.84Å; G23-L26 PolarHBondContact O-N 2.83Å; G23-I27 WeakPolarHBondContact O-CG1 3.27Å; G23-I27 PolarHBondContact O-N 3.48Å; G23-I27 VanDerWaalsContact O-N 3.09Å
24V66.7Low64Low59 Ų5945.5 Ų45.536%0.35826%0.26SS..Hα-helixtrans-64.6-45175.2174.10000111.4F20 I22 L26 I27 V28F20-V24 HydrophobicContact CD1-CG2 4.29Å; F20-V24 HydrophobicContact CD2-CG2 4.5Å; F20-V24 HydrophobicContact CE1-CG2 3.86Å; F20-V24 HydrophobicContact CE2-CG2 4.08Å; F20-V24 HydrophobicContact CZ-CG2 3.75Å; F20-V24 WeakPolarHBondContact O-CG2 3.5Å; F20-V24 PolarHBondContact O-N 3.42Å; I22-V24 VanDerWaalsContact C-N 3.34Å; I22-V24 PolarHBondContact O-N 3.2Å; V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 PolarHBondContact O-N 3.39Å; V24-I27 PolarHBondContact O-N 3.44Å; V24-I27 VanDerWaalsContact O-N 3.16Å; V24-V28 HydrophobicContact CG1-CG2 4.41Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 3.09Å
25G65.8Low63.5Low20 Ų2051.9 Ų51.921%0.20627%0.274CS..Hα-helixtrans-59.6-36.5177.300000112.9S21 I22 S29S21-G25 PolarHBondContact O-N 2.98Å; I22-G25 PolarHBondContact O-N 3.49Å; G25-S29 VanDerWaalsContact O-CB 3.23Å; G25-S29 WeakPolarHBondContact O-CB 3.26Å; G25-S29 PolarHBondContact O-N 3.13Å; G25-S29 PolarHBondContact O-OG 3.09Å
26L61.9Low63Low5 Ų551.9 Ų51.93%0.02627%0.273CS..Hα-helixtrans-70.1-40.2175.8-168.7138.9000111.7I22 G23 V24 S29 I30 A49 Y148 I151I22-L26 WeakPolarHBondContact O-CB 3.45Å; I22-L26 PolarHBondContact O-N 3.34Å; G23-L26 PolarHBondContact O-N 2.83Å; V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 PolarHBondContact O-N 3.39Å; L26-S29 WeakPolarHBondContact O-CB 3.11Å; L26-S29 PolarHBondContact O-N 2.72Å; L26-I30 HydrophobicContact CD2-CD1 3.51Å; L26-I30 HydrophobicContact CD2-CG1 4.48Å; L26-I30 HydrophobicContact CG-CD1 4.28Å; L26-I30 WeakPolarHBondContact O-CD1 3.44Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.24Å; L26-I30 PolarHBondContact O-N 3.29Å; L26-A49 HydrophobicContact CD2-CB 3.34Å; L26-Y148 HydrophobicContact CD1-CD1 3.81Å; L26-Y148 HydrophobicContact CD1-CE1 4.11Å; L26-I151 HydrophobicContact CD1-CB 4.01Å; L26-I151 HydrophobicContact CD1-CD1 4.18Å; L26-I151 HydrophobicContact CD1-CG2 3.56Å; L26-I151 HydrophobicContact CG-CG2 4.19Å
27I67Low62.2Low42 Ų4259.3 Ų59.322%0.21530%0.301CS..Hα-helixtrans-60.6-50.5173.2-66165.1000110.4G23 V24 S29 I30 V31 A49 L50 A53G23-I27 WeakPolarHBondContact O-CG1 3.27Å; G23-I27 PolarHBondContact O-N 3.48Å; G23-I27 VanDerWaalsContact O-N 3.09Å; V24-I27 PolarHBondContact O-N 3.44Å; V24-I27 VanDerWaalsContact O-N 3.16Å; I27-S29 VanDerWaalsContact C-N 3.28Å; I27-S29 PolarHBondContact O-N 2.84Å; I27-I30 PolarHBondContact O-N 3.46Å; I27-V31 HydrophobicContact CG2-CG2 4.37Å; I27-V31 VanDerWaalsContact O-CG2 3.29Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 3.12Å; I27-A49 HydrophobicContact CD1-CB 4.38Å; I27-A49 HydrophobicContact CG1-CB 3.65Å; I27-L50 HydrophobicContact CD1-CB 4.48Å; I27-A53 HydrophobicContact CD1-CB 4.39Å
28V65.7Low61.6Low82 Ų8263.2 Ų63.250%0.49732%0.321SS..Hα-helixtrans-59.1-43.1178.1174.80000110.5V24 I30 V31 V32V24-V28 HydrophobicContact CG1-CG2 4.41Å; V24-V28 WeakPolarHBondContact O-CG2 3.38Å; V24-V28 PolarHBondContact O-N 3.09Å; V28-I30 PolarHBondContact O-N 3.33Å; V28-V31 PolarHBondContact O-N 3.47Å; V28-V32 HydrophobicContact CG1-CG2 4.2Å; V28-V32 WeakPolarHBondContact O-CB 3.4Å; V28-V32 VanDerWaalsContact O-CG2 3.25Å; V28-V32 WeakPolarHBondContact O-CG2 3.14Å; V28-V32 PolarHBondContact O-N 3.37Å
29S58.5Low61.5Low20 Ų2064.5 Ų64.514%0.1433%0.33CS..Hα-helixtrans-58.8-44.7178-69.30000112.5G25 L26 I27 V32 A33 N155G25-S29 VanDerWaalsContact O-CB 3.23Å; G25-S29 WeakPolarHBondContact O-CB 3.26Å; G25-S29 PolarHBondContact O-N 3.13Å; G25-S29 PolarHBondContact O-OG 3.09Å; L26-S29 WeakPolarHBondContact O-CB 3.11Å; L26-S29 PolarHBondContact O-N 2.72Å; I27-S29 VanDerWaalsContact C-N 3.28Å; I27-S29 PolarHBondContact O-N 2.84Å; S29-V32 PolarHBondContact O-N 3.09Å; S29-A33 VanDerWaalsContact O-CB 3.3Å; S29-A33 WeakPolarHBondContact O-CB 3.39Å; S29-A33 PolarHBondContact O-N 3.03Å; S29-N155 WeakPolarHBondContact CA-ND2 3.41Å; S29-N155 WeakPolarHBondContact CB-ND2 3.43Å; S29-N155 PolarHBondContact O-ND2 3.35Å; S29-N155 PolarHBondContact O-OD1 2.82Å; S29-N155 PolarHBondContact OG-ND2 2.85Å
30I60.8Low61.4Low11 Ų1169.1 Ų69.16%0.05636%0.359CS..Hα-helixtrans-70.2-38.4178.8-61.3158.9000111.4L26 I27 V28 V32 A33 L45 T46L26-I30 HydrophobicContact CD2-CD1 3.51Å; L26-I30 HydrophobicContact CD2-CG1 4.48Å; L26-I30 HydrophobicContact CG-CD1 4.28Å; L26-I30 WeakPolarHBondContact O-CD1 3.44Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.24Å; L26-I30 PolarHBondContact O-N 3.29Å; I27-I30 PolarHBondContact O-N 3.46Å; V28-I30 PolarHBondContact O-N 3.33Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-A33 PolarHBondContact O-N 3.45Å; I30-L45 HydrophobicContact CD1-CB 3.6Å; I30-L45 HydrophobicContact CG1-CB 4.47Å; I30-T46 HydrophobicContact CB-CG2 3.84Å; I30-T46 HydrophobicContact CD1-CG2 3.9Å; I30-T46 HydrophobicContact CG2-CG2 3.44Å; I30-T46 VanDerWaalsContact CG2-CG2 3.44Å
31V62.8Low61Low83 Ų8365.9 Ų65.950%0.50335%0.347SS..Hα-helixtrans-65.4-38.1177.9171.60000111.2I27 V28 R37I27-V31 HydrophobicContact CG2-CG2 4.37Å; I27-V31 VanDerWaalsContact O-CG2 3.29Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 3.12Å; V28-V31 PolarHBondContact O-N 3.47Å; V31-R37 WeakPolarHBondContact O-CD 3.46Å
32V62.6Low60.4Low94 Ų9464.5 Ų64.557%0.5734%0.337SS*.Hα-helixtrans-74.6-30177172.60000111.9V28 S29 I30 D34V28-V32 HydrophobicContact CG1-CG2 4.2Å; V28-V32 WeakPolarHBondContact O-CB 3.4Å; V28-V32 VanDerWaalsContact O-CG2 3.25Å; V28-V32 WeakPolarHBondContact O-CG2 3.14Å; V28-V32 PolarHBondContact O-N 3.37Å; S29-V32 PolarHBondContact O-N 3.09Å; I30-V32 VanDerWaalsContact C-N 3.33Å; V32-D34 PolarHBondContact O-N 3.25Å; V32-D34 VanDerWaalsContact O-N 3.16Å
33A54.8Low60.3Low8 Ų866.1 Ų66.17%0.06635%0.354CS..  trans-78.3100.8-178.900000112.3S29 I30 R35 Y36 R37S29-A33 VanDerWaalsContact O-CB 3.3Å; S29-A33 WeakPolarHBondContact O-CB 3.39Å; S29-A33 PolarHBondContact O-N 3.03Å; I30-A33 PolarHBondContact O-N 3.45Å; A33-R35 PolarHBondContact O-N 3.28Å; A33-R35 VanDerWaalsContact O-N 3.08Å; A33-Y36 HydrophobicContact CB-CD2 3.87Å; A33-Y36 PolarHBondContact O-N 2.92Å; A33-R37 PolarHBondContact O-N 3.47Å
34D53.2Low60.4Low120 Ų12071 Ų7164%0.64238%0.375SS*.Hα-helixtrans-53.4-33.8179.4-73-39.2000113.8V32 Y36 R37V32-D34 PolarHBondContact O-N 3.25Å; V32-D34 VanDerWaalsContact O-N 3.16Å; D34-Y36 PolarHBondContact O-N 3.2Å; D34-R37 PolarHBondContact O-N 3.47Å; D34-R37 IonicContact OD1-NH1 2.92Å
35R54.6Low60.3Low223 Ų22368.4 Ų68.484%0.84236%0.359SS*.Hα-helixtrans-60.2-33.2177.4-103.8-160.9-173.4-151.74113.3A33 T39A33-R35 PolarHBondContact O-N 3.28Å; A33-R35 VanDerWaalsContact O-N 3.08Å; R35-T39 WeakPolarHBondContact O-CG2 3.22Å
36Y52.9Low60.3Low45 Ų4569.5 Ų69.518%0.17636%0.361CS..Hα-helixtrans-93-25.2-175.3-71.6-74.3000112.6A33 D34 I38 T39 G42 L45A33-Y36 HydrophobicContact CB-CD2 3.87Å; A33-Y36 PolarHBondContact O-N 2.92Å; D34-Y36 PolarHBondContact O-N 3.2Å; Y36-I38 VanDerWaalsContact C-N 3.25Å; Y36-I38 PolarHBondContact O-N 3.01Å; Y36-I38 VanDerWaalsContact O-N 3.11Å; Y36-T39 WeakPolarHBondContact CA-OG1 3.49Å; Y36-T39 PolarHBondContact O-N 3.46Å; Y36-T39 VanDerWaalsContact O-N 3.09Å; Y36-T39 PolarHBondContact O-OG1 2.93Å; Y36-G42 WeakPolarHBondContact O-CA 3.34Å; Y36-L45 HydrophobicContact CD1-CD1 4.11Å; Y36-L45 HydrophobicContact CE1-CD1 4.09Å
37R50.8Low60.7Low168 Ų16875 Ų7563%0.63439%0.385SS*.Hα-helixtrans-52.8-37.2-175.4-71.3-179.375.4178.34.6114.6V31 A33 D34V31-R37 WeakPolarHBondContact O-CD 3.46Å; A33-R37 PolarHBondContact O-N 3.47Å; D34-R37 PolarHBondContact O-N 3.47Å; D34-R37 IonicContact OD1-NH1 2.92Å
38I56.4Low61Low165 Ų16575.1 Ų75.185%0.84638%0.384SS*.THydrogen-bonded Turntrans-103.4-6-174.1-55.1169.7000111.6Y36Y36-I38 VanDerWaalsContact C-N 3.25Å; Y36-I38 PolarHBondContact O-N 3.01Å; Y36-I38 VanDerWaalsContact O-N 3.11Å
39T61.3Low61.1Low56 Ų5671.6 Ų71.634%0.34436%0.363SS..SBendtrans-88.9140.3-177.8640000111.2R35 Y36 A41 G42 A43R35-T39 WeakPolarHBondContact O-CG2 3.22Å; Y36-T39 WeakPolarHBondContact CA-OG1 3.49Å; Y36-T39 PolarHBondContact O-N 3.46Å; Y36-T39 VanDerWaalsContact O-N 3.09Å; Y36-T39 PolarHBondContact O-OG1 2.93Å; T39-A41 PolarHBondContact O-N 3.2Å; T39-G42 PolarHBondContact O-N 3.28Å; T39-G42 PolarHBondContact OG1-N 3.17Å; T39-A43 PolarHBondContact O-N 3.48Å; T39-A43 VanDerWaalsContact O-N 3.14Å
40V63.2Low61.8Low110 Ų11074.9 Ų74.967%0.66738%0.379SS*.Hα-helixtrans-54.3-36.5172.1175.10000111A43 F44V40-A43 WeakPolarHBondContact O-CB 3.35Å; V40-A43 PolarHBondContact O-N 2.86Å; V40-F44 HydrophobicContact CG1-CD2 3.78Å; V40-F44 HydrophobicContact CG1-CE2 3.41Å; V40-F44 VanDerWaalsContact CG1-CE2 3.41Å; V40-F44 WeakPolarHBondContact O-CD2 3.35Å; V40-F44 PolarHBondContact O-N 3.16Å
41A61.6Low62.6Low12 Ų1276.6 Ų76.610%0.09939%0.39CS..Hα-helixtrans-66.2-41.9176.400000113.5T39 A43 F44 L45 I96 T100T39-A41 PolarHBondContact O-N 3.2Å; A41-A43 VanDerWaalsContact C-N 3.25Å; A41-A43 PolarHBondContact O-N 3.35Å; A41-F44 PolarHBondContact O-N 3.09Å; A41-F44 VanDerWaalsContact O-N 3.15Å; A41-L45 WeakPolarHBondContact O-CG 3.4Å; A41-L45 PolarHBondContact O-N 2.93Å; A41-I96 HydrophobicContact CB-CG2 4.03Å; A41-T100 HydrophobicContact CB-CG2 3.13Å
42G57.7Low63Low3 Ų372.9 Ų72.93%0.03137%0.368CS..Hα-helixtrans-59.3-38.3173.100000112.2Y36 T39 L45 T46Y36-G42 WeakPolarHBondContact O-CA 3.34Å; T39-G42 PolarHBondContact O-N 3.28Å; T39-G42 PolarHBondContact OG1-N 3.17Å; G42-L45 PolarHBondContact O-N 3.31Å; G42-T46 WeakPolarHBondContact O-CG2 3.32Å; G42-T46 PolarHBondContact O-N 3.35Å; G42-T46 PolarHBondContact O-OG1 3.26Å
43A64.1Low63.4Low57 Ų5768.9 Ų68.947%0.47135%0.345SS..Hα-helixtrans-65.2-39.2173.500000112.9T39 V40 A41 T46 F47T39-A43 PolarHBondContact O-N 3.48Å; T39-A43 VanDerWaalsContact O-N 3.14Å; V40-A43 WeakPolarHBondContact O-CB 3.35Å; V40-A43 PolarHBondContact O-N 2.86Å; A41-A43 VanDerWaalsContact C-N 3.25Å; A41-A43 PolarHBondContact O-N 3.35Å; A43-T46 WeakPolarHBondContact CA-OG1 3.41Å; A43-T46 PolarHBondContact O-OG1 3.13Å; A43-F47 WeakPolarHBondContact O-CB 3.36Å; A43-F47 PolarHBondContact O-N 3.35Å
44F65.5Low64.4Low109 Ų10973.4 Ų73.448%0.47837%0.368SS..Hα-helixtrans-66.1-41.9173-78.5-67.2000112V40 A41 F47 F48 I96V40-F44 HydrophobicContact CG1-CD2 3.78Å; V40-F44 HydrophobicContact CG1-CE2 3.41Å; V40-F44 VanDerWaalsContact CG1-CE2 3.41Å; V40-F44 WeakPolarHBondContact O-CD2 3.35Å; V40-F44 PolarHBondContact O-N 3.16Å; A41-F44 PolarHBondContact O-N 3.09Å; A41-F44 VanDerWaalsContact O-N 3.15Å; F44-F47 WeakPolarHBondContact O-CB 3.43Å; F44-F47 PolarHBondContact O-N 3.06Å; F44-F48 HydrophobicContact CB-CE2 4.4Å; F44-F48 HydrophobicContact CD1-CE2 4.42Å; F44-F48 WeakPolarHBondContact O-CD2 3.07Å; F44-F48 PolarHBondContact O-N 2.9Å; F44-I96 HydrophobicContact CB-CD1 4.11Å
45L65.6Low65.4Low4 Ų469.2 Ų69.22%0.02135%0.346CS..Hα-helixtrans-61.6-45.7177.4-70.7169.9000111.4I30 Y36 A41 G42 F47 F48 A49 A93 I96 T97I30-L45 HydrophobicContact CD1-CB 3.6Å; I30-L45 HydrophobicContact CG1-CB 4.47Å; Y36-L45 HydrophobicContact CD1-CD1 4.11Å; Y36-L45 HydrophobicContact CE1-CD1 4.09Å; A41-L45 WeakPolarHBondContact O-CG 3.4Å; A41-L45 PolarHBondContact O-N 2.93Å; G42-L45 PolarHBondContact O-N 3.31Å; L45-F47 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 3.47Å; L45-F48 PolarHBondContact O-N 3.2Å; L45-A49 VanDerWaalsContact O-CB 3.24Å; L45-A49 WeakPolarHBondContact O-CB 3.13Å; L45-A49 PolarHBondContact O-N 2.97Å; L45-A93 HydrophobicContact CD2-CB 3.77Å; L45-A93 VanDerWaalsContact CD2-O 3.23Å; L45-A93 WeakPolarHBondContact CD2-O 3.41Å; L45-I96 HydrophobicContact CD2-CB 4.18Å; L45-I96 HydrophobicContact CD2-CG2 4.13Å; L45-I96 HydrophobicContact CG-CG2 4.07Å; L45-T97 WeakPolarHBondContact CD2-OG1 3.33Å
46T66.4Low66.1Low42 Ų4258.8 Ų58.826%0.25831%0.308SS..Hα-helixtrans-65-38.1175.351.60000111.9I30 G42 A43 A49 L50I30-T46 HydrophobicContact CB-CG2 3.84Å; I30-T46 HydrophobicContact CD1-CG2 3.9Å; I30-T46 HydrophobicContact CG2-CG2 3.44Å; I30-T46 VanDerWaalsContact CG2-CG2 3.44Å; G42-T46 WeakPolarHBondContact O-CG2 3.32Å; G42-T46 PolarHBondContact O-N 3.35Å; G42-T46 PolarHBondContact O-OG1 3.26Å; A43-T46 WeakPolarHBondContact CA-OG1 3.41Å; A43-T46 PolarHBondContact O-OG1 3.13Å; T46-A49 PolarHBondContact O-N 3.23Å; T46-L50 WeakPolarHBondContact O-CB 3.47Å; T46-L50 PolarHBondContact O-N 3.04Å
47F70Confident67Low121 Ų12160.1 Ų60.153%0.53132%0.317SS..Hα-helixtrans-60.5-50.7175.8-179.4-99.4000111.9A43 F44 L45 A49 L50 V51A43-F47 WeakPolarHBondContact O-CB 3.36Å; A43-F47 PolarHBondContact O-N 3.35Å; F44-F47 WeakPolarHBondContact O-CB 3.43Å; F44-F47 PolarHBondContact O-N 3.06Å; L45-F47 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 3.47Å; F47-A49 VanDerWaalsContact C-N 3.34Å; F47-A49 PolarHBondContact O-N 3.46Å; F47-L50 PolarHBondContact O-N 3.26Å; F47-V51 HydrophobicContact CD1-CG2 4.38Å; F47-V51 HydrophobicContact CE1-CG2 4.03Å; F47-V51 HydrophobicContact CE2-CG2 4.17Å; F47-V51 HydrophobicContact CZ-CG2 3.91Å; F47-V51 VanDerWaalsContact O-CG2 3.31Å; F47-V51 WeakPolarHBondContact O-CG2 3.48Å; F47-V51 PolarHBondContact O-N 2.72Å
48F71.8Confident68.1Low45 Ų4558.7 Ų58.720%0.19732%0.316CS..Hα-helixtrans-64.6-38.4178.1-74-62000112.4F44 L45 G52 L89 I92 I96F44-F48 HydrophobicContact CB-CE2 4.4Å; F44-F48 HydrophobicContact CD1-CE2 4.42Å; F44-F48 WeakPolarHBondContact O-CD2 3.07Å; F44-F48 PolarHBondContact O-N 2.9Å; L45-F48 PolarHBondContact O-N 3.2Å; F48-G52 PolarHBondContact O-N 2.88Å; F48-L89 HydrophobicContact CD1-CD2 3.71Å; F48-L89 HydrophobicContact CE1-CD2 4.23Å; F48-I92 HydrophobicContact CD2-CG2 4.05Å; F48-I92 HydrophobicContact CE1-CG2 4.13Å; F48-I92 HydrophobicContact CE2-CG2 3.62Å; F48-I92 HydrophobicContact CZ-CG2 3.65Å; F48-I96 HydrophobicContact CD2-CD1 3.82Å; F48-I96 HydrophobicContact CE2-CD1 3.54Å
49A69.5Low68.8Low7 Ų753 Ų536%0.05829%0.285CS..Hα-helixtrans-64.1-42.4175.800000112.2L26 I27 L45 T46 F47 G52 A53L26-A49 HydrophobicContact CD2-CB 3.34Å; I27-A49 HydrophobicContact CD1-CB 4.38Å; I27-A49 HydrophobicContact CG1-CB 3.65Å; L45-A49 VanDerWaalsContact O-CB 3.24Å; L45-A49 WeakPolarHBondContact O-CB 3.13Å; L45-A49 PolarHBondContact O-N 2.97Å; T46-A49 PolarHBondContact O-N 3.23Å; F47-A49 VanDerWaalsContact C-N 3.34Å; F47-A49 PolarHBondContact O-N 3.46Å; A49-G52 PolarHBondContact O-N 2.98Å; A49-A53 WeakPolarHBondContact O-CB 3.31Å; A49-A53 PolarHBondContact O-N 3.28Å
50L72.6Confident69.3Low90 Ų9052.7 Ų52.747%0.47128%0.279SS..Hα-helixtrans-69.6-43.2179.8-172.5134.6000111.4I27 T46 F47 G52 A53 L54I27-L50 HydrophobicContact CD1-CB 4.48Å; T46-L50 WeakPolarHBondContact O-CB 3.47Å; T46-L50 PolarHBondContact O-N 3.04Å; F47-L50 PolarHBondContact O-N 3.26Å; L50-G52 VanDerWaalsContact C-N 3.35Å; L50-A53 PolarHBondContact O-N 3.38Å; L50-L54 HydrophobicContact CD2-CD1 3.63Å; L50-L54 HydrophobicContact CD2-CG 4.44Å; L50-L54 HydrophobicContact CG-CD1 4.36Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.45Å
51V76.6Confident69.6Low47 Ų4751 Ų5129%0.28527%0.269SS..Hα-helixtrans-61.2-45.3172.8173.10000110.5F47 L54 T55F47-V51 HydrophobicContact CD1-CG2 4.38Å; F47-V51 HydrophobicContact CE1-CG2 4.03Å; F47-V51 HydrophobicContact CE2-CG2 4.17Å; F47-V51 HydrophobicContact CZ-CG2 3.91Å; F47-V51 VanDerWaalsContact O-CG2 3.31Å; F47-V51 WeakPolarHBondContact O-CG2 3.48Å; F47-V51 PolarHBondContact O-N 2.72Å; V51-L54 PolarHBondContact O-N 2.94Å; V51-T55 HydrophobicContact CG1-CG2 4.43Å; V51-T55 WeakPolarHBondContact O-CG2 3.36Å; V51-T55 PolarHBondContact O-N 3.46Å; V51-T55 PolarHBondContact O-OG1 2.8Å; V51-T55 VanDerWaalsContact O-OG1 3.08Å
52G71.6Confident70Confident5 Ų553.2 Ų53.25%0.05228%0.281CS..Hα-helixtrans-57.4-50.6175.800000112.5F48 A49 L50 L54 T55 S56F48-G52 PolarHBondContact O-N 2.88Å; A49-G52 PolarHBondContact O-N 2.98Å; L50-G52 VanDerWaalsContact C-N 3.35Å; G52-L54 PolarHBondContact O-N 3.31Å; G52-T55 WeakPolarHBondContact CA-OG1 3.47Å; G52-T55 PolarHBondContact O-N 3.42Å; G52-T55 PolarHBondContact O-OG1 2.79Å; G52-S56 PolarHBondContact O-N 3.26Å; G52-S56 PolarHBondContact O-OG 3.43Å
53A70.2Confident70.5Confident10 Ų1053.7 Ų53.78%0.08328%0.283CS..Hα-helixtrans-62.5-38.4177.900000112.9F20 I27 A49 L50 S56 L57F20-A53 HydrophobicContact CE2-CB 4.5Å; I27-A53 HydrophobicContact CD1-CB 4.39Å; A49-A53 WeakPolarHBondContact O-CB 3.31Å; A49-A53 PolarHBondContact O-N 3.28Å; L50-A53 PolarHBondContact O-N 3.38Å; A53-S56 PolarHBondContact O-OG 2.9Å; A53-S56 VanDerWaalsContact O-OG 3.1Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 PolarHBondContact O-N 3.29Å
54L76Confident70.6Confident103 Ų10354.1 Ų54.154%0.53928%0.277SS..Hα-helixtrans-67.7-42.2175.5-74.8173.4000111.8L50 V51 G52 L57 F58L50-L54 HydrophobicContact CD2-CD1 3.63Å; L50-L54 HydrophobicContact CD2-CG 4.44Å; L50-L54 HydrophobicContact CG-CD1 4.36Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.45Å; V51-L54 PolarHBondContact O-N 2.94Å; G52-L54 PolarHBondContact O-N 3.31Å; L54-L57 PolarHBondContact O-N 3.08Å; L54-F58 WeakPolarHBondContact O-CB 3.22Å; L54-F58 PolarHBondContact O-N 2.88Å
55T74.2Confident70.6Confident31 Ų3151.1 Ų51.119%0.1927%0.269CS..Hα-helixtrans-64.9-44.6176.852.30000111.7V51 G52 L57 F58 F59 L85V51-T55 HydrophobicContact CG1-CG2 4.43Å; V51-T55 WeakPolarHBondContact O-CG2 3.36Å; V51-T55 PolarHBondContact O-N 3.46Å; V51-T55 PolarHBondContact O-OG1 2.8Å; V51-T55 VanDerWaalsContact O-OG1 3.08Å; G52-T55 WeakPolarHBondContact CA-OG1 3.47Å; G52-T55 PolarHBondContact O-N 3.42Å; G52-T55 PolarHBondContact O-OG1 2.79Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.1Å; T55-F58 PolarHBondContact O-N 2.91Å; T55-F59 WeakPolarHBondContact O-CD2 3.43Å; T55-F59 PolarHBondContact O-N 3.21Å; T55-L85 HydrophobicContact CG2-CD2 4.39Å
56S70.8Confident70.5Confident4 Ų451.9 Ų51.93%0.02828%0.275CS..Hα-helixtrans-64.9-39.6178.6710000111.5G52 A53 F59 F60G52-S56 PolarHBondContact O-N 3.26Å; G52-S56 PolarHBondContact O-OG 3.43Å; A53-S56 PolarHBondContact O-OG 2.9Å; A53-S56 VanDerWaalsContact O-OG 3.1Å; S56-F59 PolarHBondContact O-N 2.84Å; S56-F60 VanDerWaalsContact O-CB 3.24Å; S56-F60 WeakPolarHBondContact O-CB 3.44Å; S56-F60 PolarHBondContact O-N 3.08Å
57L71.4Confident70.2Confident73 Ų7353.3 Ų53.338%0.38228%0.28SS..Hα-helixtrans-62.1-46.4173.9-176.964.9000111.9F20 A53 L54 T55 F59 F60 V61F20-L57 HydrophobicContact CD2-CB 4.34Å; F20-L57 HydrophobicContact CE2-CB 4.24Å; F20-L57 HydrophobicContact CE2-CD1 4.39Å; A53-L57 WeakPolarHBondContact O-CB 3.49Å; A53-L57 PolarHBondContact O-N 3.29Å; L54-L57 PolarHBondContact O-N 3.08Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.1Å; L57-F59 PolarHBondContact O-N 3.36Å; L57-F60 WeakPolarHBondContact O-CB 3.48Å; L57-F60 PolarHBondContact O-N 2.94Å; L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.49Å
58F74Confident69.9Low138 Ų13853.6 Ų53.661%0.60529%0.286SS*.Hα-helixtrans-60.2-47.1178.7-174.1-96.6000111.4L54 T55 F60 V61 V62L54-F58 WeakPolarHBondContact O-CB 3.22Å; L54-F58 PolarHBondContact O-N 2.88Å; T55-F58 PolarHBondContact O-N 2.91Å; F58-F60 VanDerWaalsContact C-N 3.3Å; F58-F60 PolarHBondContact O-N 3.23Å; F58-V61 PolarHBondContact O-N 3.17Å; F58-V62 HydrophobicContact CD1-CG2 4.2Å; F58-V62 HydrophobicContact CE1-CG2 3.9Å; F58-V62 HydrophobicContact CZ-CG2 4.28Å; F58-V62 WeakPolarHBondContact O-CG2 3.34Å; F58-V62 PolarHBondContact O-N 3.36Å
59F71.5Confident69.2Low45 Ų4559.8 Ų59.820%0.19731%0.31CS..Hα-helixtrans-69.9-25.9177.3-73.3-62.4000113.6K16 T55 S56 L57 H63 I78 S82K16-F59 PolarHBondContact NZ-O 3.43Å; T55-F59 WeakPolarHBondContact O-CD2 3.43Å; T55-F59 PolarHBondContact O-N 3.21Å; S56-F59 PolarHBondContact O-N 2.84Å; L57-F59 PolarHBondContact O-N 3.36Å; F59-H63 VanDerWaalsContact O-CB 3.31Å; F59-H63 WeakPolarHBondContact O-CB 2.97Å; F59-H63 PolarHBondContact O-N 3.11Å; F59-I78 HydrophobicContact CD1-CG2 3.74Å; F59-I78 HydrophobicContact CE1-CG2 3.28Å; F59-I78 HydrophobicContact CZ-CG2 4.25Å; F59-S82 WeakPolarHBondContact CD2-OG 3.42Å
60F70.3Confident68.7Low50 Ų5068.4 Ų68.422%0.21935%0.346CS..Hα-helixtrans-68.7-45171.5-178.2-107.1000111.1K16 I17 S56 L57 F58 V62 H63 L64K16-F60 HydrophobicContact CB-CD2 4.06Å; K16-F60 HydrophobicContact CD-CB 4.42Å; K16-F60 HydrophobicContact CD-CD2 4.3Å; I17-F60 HydrophobicContact CD1-CE2 4.15Å; I17-F60 HydrophobicContact CD1-CZ 4.31Å; I17-F60 HydrophobicContact CG1-CE2 3.79Å; I17-F60 HydrophobicContact CG1-CZ 4.09Å; S56-F60 VanDerWaalsContact O-CB 3.24Å; S56-F60 WeakPolarHBondContact O-CB 3.44Å; S56-F60 PolarHBondContact O-N 3.08Å; L57-F60 WeakPolarHBondContact O-CB 3.48Å; L57-F60 PolarHBondContact O-N 2.94Å; F58-F60 VanDerWaalsContact C-N 3.3Å; F58-F60 PolarHBondContact O-N 3.23Å; F60-V62 PolarHBondContact O-N 2.99Å; F60-H63 PolarHBondContact O-N 3.17Å; F60-L64 HydrophobicContact CD1-CD1 3.86Å; F60-L64 HydrophobicContact CD1-CG 4.4Å; F60-L64 HydrophobicContact CE1-CD1 3.32Å; F60-L64 HydrophobicContact CE1-CG 4.04Å; F60-L64 HydrophobicContact CE2-CD1 4.5Å; F60-L64 HydrophobicContact CE2-CG 4.4Å; F60-L64 HydrophobicContact CZ-CD1 3.69Å; F60-L64 HydrophobicContact CZ-CD2 4.31Å; F60-L64 HydrophobicContact CZ-CG 4.03Å; F60-L64 PolarHBondContact O-N 3.13Å
61V69.9Low67.8Low76 Ų7668.9 Ų68.946%0.46135%0.348SS..Hα-helixtrans-63.4-41.2175.4174.70000111.4L57 F58 H63 L64 S65L57-V61 WeakPolarHBondContact O-CG2 3.27Å; L57-V61 PolarHBondContact O-N 3.49Å; F58-V61 PolarHBondContact O-N 3.17Å; V61-H63 VanDerWaalsContact C-N 3.33Å; V61-H63 PolarHBondContact O-N 3.34Å; V61-L64 PolarHBondContact O-N 3.34Å; V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.35Å; V61-S65 PolarHBondContact O-N 3.3Å; V61-S65 PolarHBondContact O-OG 3.5Å
62V69.9Low66.8Low58 Ų5873 Ų7335%0.35238%0.375SS..Hα-helixtrans-63.2-41.1174.8171.80000110.8F58 F60 S65 S66F58-V62 HydrophobicContact CD1-CG2 4.2Å; F58-V62 HydrophobicContact CE1-CG2 3.9Å; F58-V62 HydrophobicContact CZ-CG2 4.28Å; F58-V62 WeakPolarHBondContact O-CG2 3.34Å; F58-V62 PolarHBondContact O-N 3.36Å; F60-V62 PolarHBondContact O-N 2.99Å; V62-S65 PolarHBondContact O-N 3.34Å; V62-S66 WeakPolarHBondContact O-CB 3.25Å; V62-S66 PolarHBondContact O-N 3.15Å
63H68.2Low65.9Low12 Ų1274.4 Ų74.46%0.05639%0.39CS..Hα-helixtrans-65.5-46.4176.8-172.479000112.3K16 F59 F60 V61 S65 S66 L67 E79K16-H63 VanDerWaalsContact NZ-CB 3.28Å; F59-H63 VanDerWaalsContact O-CB 3.31Å; F59-H63 WeakPolarHBondContact O-CB 2.97Å; F59-H63 PolarHBondContact O-N 3.11Å; F60-H63 PolarHBondContact O-N 3.17Å; V61-H63 VanDerWaalsContact C-N 3.33Å; V61-H63 PolarHBondContact O-N 3.34Å; H63-S65 VanDerWaalsContact C-N 3.28Å; H63-S65 PolarHBondContact O-N 2.66Å; H63-S66 PolarHBondContact O-N 2.74Å; H63-S66 VanDerWaalsContact O-N 3.15Å; H63-S66 PolarHBondContact O-OG 2.95Å; H63-L67 WeakPolarHBondContact O-CB 3.44Å; H63-L67 PolarHBondContact O-N 3.2Å; H63-E79 IonicContact CE1-OE1 2.76Å; H63-E79 PolarHBondContact CE1-OE1 2.89Å; H63-E79 IonicContact CG-OE1 2.84Å; H63-E79 IonicContact ND1-OE1 3.95Å; H63-E79 PolarHBondContact ND1-OE1 3.42Å
64L65.6Low65.3Low66 Ų6678.2 Ų78.235%0.34641%0.414SS..Hα-helixtrans-59.2-41.2173.6-76.4-179.7000111.6F60 V61 S66 L67 I68F60-L64 HydrophobicContact CD1-CD1 3.86Å; F60-L64 HydrophobicContact CD1-CG 4.4Å; F60-L64 HydrophobicContact CE1-CD1 3.32Å; F60-L64 HydrophobicContact CE1-CG 4.04Å; F60-L64 HydrophobicContact CE2-CD1 4.5Å; F60-L64 HydrophobicContact CE2-CG 4.4Å; F60-L64 HydrophobicContact CZ-CD1 3.69Å; F60-L64 HydrophobicContact CZ-CD2 4.31Å; F60-L64 HydrophobicContact CZ-CG 4.03Å; F60-L64 PolarHBondContact O-N 3.13Å; V61-L64 PolarHBondContact O-N 3.34Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.01Å; L64-L67 WeakPolarHBondContact O-CB 3.34Å; L64-L67 PolarHBondContact O-N 3.41Å; L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3.29Å
65S67.1Low64.5Low47 Ų4774.7 Ų74.733%0.32940%0.397SS..Hα-helixtrans-63.7-40.8176.3-58.80000111.2V61 V62 H63 L67 I68 Y69V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.35Å; V61-S65 PolarHBondContact O-N 3.3Å; V61-S65 PolarHBondContact O-OG 3.5Å; V62-S65 PolarHBondContact O-N 3.34Å; H63-S65 VanDerWaalsContact C-N 3.28Å; H63-S65 PolarHBondContact O-N 2.66Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact O-N 3.13Å; S65-I68 PolarHBondContact O-N 3Å; S65-Y69 WeakPolarHBondContact O-CB 3.41Å; S65-Y69 WeakPolarHBondContact O-CD2 3.43Å; S65-Y69 PolarHBondContact O-N 2.67Å
66S62.6Low63.8Low19 Ų1976.7 Ų76.713%0.13341%0.409CS..Hα-helixtrans-66.4-34.5175.275.70000112.9V62 H63 L64 K70 I71V62-S66 WeakPolarHBondContact O-CB 3.25Å; V62-S66 PolarHBondContact O-N 3.15Å; H63-S66 PolarHBondContact O-N 2.74Å; H63-S66 VanDerWaalsContact O-N 3.15Å; H63-S66 PolarHBondContact O-OG 2.95Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.01Å; S66-K70 WeakPolarHBondContact O-CA 3.45Å; S66-K70 PolarHBondContact O-N 3.37Å; S66-K70 VanDerWaalsContact O-N 3.1Å; S66-I71 PolarHBondContact O-N 3.37Å
67L60.8Low63.2Low72 Ų7281.2 Ų81.238%0.37743%0.432SS..Hα-helixtrans-67.9-45176.6-178.166.9000111.2H63 L64 S65H63-L67 WeakPolarHBondContact O-CB 3.44Å; H63-L67 PolarHBondContact O-N 3.2Å; L64-L67 WeakPolarHBondContact O-CB 3.34Å; L64-L67 PolarHBondContact O-N 3.41Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact O-N 3.13Å
68I63.9Low62.8Low127 Ų12781.5 Ų81.565%0.65143%0.434SS*.Hα-helixtrans-70.7-46.5-179.5-66.3164.4000110.9L64 S65 K70L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3.29Å; S65-I68 PolarHBondContact O-N 3Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 3.03Å
69Y57.1Low62.1Low176 Ų17675.2 Ų75.269%0.6941%0.406SS*.Hα-helixtrans-882.9-174.4-76.8-81000114.3S65 I71S65-Y69 WeakPolarHBondContact O-CB 3.41Å; S65-Y69 WeakPolarHBondContact O-CD2 3.43Å; S65-Y69 PolarHBondContact O-N 2.67Å; Y69-I71 PolarHBondContact O-N 2.66Å; Y69-I71 VanDerWaalsContact O-N 3.1Å
70K58.5Low61.6Low188 Ų18878.4 Ų78.482%0.81742%0.42SS*.THydrogen-bonded Turntrans4640.2-175.7-82.6-179.3172.8174.40112.3S66 I68 P72S66-K70 WeakPolarHBondContact O-CA 3.45Å; S66-K70 PolarHBondContact O-N 3.37Å; S66-K70 VanDerWaalsContact O-N 3.1Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 3.03Å; K70-P72 VanDerWaalsContact O-CD 3.31Å; K70-P72 WeakPolarHBondContact O-CD 3.16Å
71I53.7Low61.3Low99 Ų9980.5 Ų80.551%0.50843%0.433SS..  trans-72.3122.8-175.6-56.7172.5000107.8S66 Y69 G73S66-I71 PolarHBondContact O-N 3.37Å; Y69-I71 PolarHBondContact O-N 2.66Å; Y69-I71 VanDerWaalsContact O-N 3.1Å; I71-G73 PolarHBondContact O-N 2.72Å
72P55.3Low61Low133 Ų13377.1 Ų77.186%0.86441%0.412SS*.  trans-75.179.3174.931.3-33.2000108.9K70K70-P72 VanDerWaalsContact O-CD 3.31Å; K70-P72 WeakPolarHBondContact O-CD 3.16Å
73G53.9Low60.7Low36 Ų3676.2 Ų76.237%0.37141%0.405SS..  trans-114.6153.8174.700000111.3I71 V75I71-G73 PolarHBondContact O-N 2.72Å; G73-V75 PolarHBondContact O-N 3.02Å
74P56.9Low60.2Low89 Ų8978.2 Ų78.258%0.57841%0.413SS*.  trans-71.655165.833.2-35.4000110.3T76 L77P74-T76 PolarHBondContact O-N 3.17Å; P74-T76 VanDerWaalsContact O-N 3.15Å; P74-L77 HydrophobicContact CB-CB 4.44Å; P74-L77 PolarHBondContact O-N 3.46Å
75V59.3Low60.2Low30 Ų3078.9 Ų78.918%0.18242%0.417CS..Hα-helixtrans-56.5-33.4-179.3-172.40000109.4G73 L77 I78 E79G73-V75 PolarHBondContact O-N 3.02Å; V75-L77 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 3.37Å; V75-I78 PolarHBondContact O-N 3.46Å; V75-E79 HydrophobicContact CG1-CG 4.32Å; V75-E79 WeakPolarHBondContact CG1-OE1 3.21Å; V75-E79 WeakPolarHBondContact O-CB 3.49Å; V75-E79 VanDerWaalsContact O-CD 3.28Å; V75-E79 WeakPolarHBondContact O-CG 3.33Å; V75-E79 PolarHBondContact O-N 3.46Å
76T58.7Low59.8Low73 Ų7376.9 Ų76.945%0.44840%0.403SS..Hα-helixtrans-61.3-33.517860.40000114.6P74 F80P74-T76 PolarHBondContact O-N 3.17Å; P74-T76 VanDerWaalsContact O-N 3.15Å; T76-F80 PolarHBondContact O-N 2.81Å; T76-F80 VanDerWaalsContact O-N 3.12Å
77L59Low59.5Low98 Ų9876.3 Ų76.351%0.51340%0.399SS..Hα-helixtrans-77.8-45.4-177.8-168.7153.5000110.9P74 V75 E79 F80 I81P74-L77 HydrophobicContact CB-CB 4.44Å; P74-L77 PolarHBondContact O-N 3.46Å; V75-L77 VanDerWaalsContact C-N 3.32Å; V75-L77 PolarHBondContact O-N 3.37Å; L77-E79 PolarHBondContact O-N 2.85Å; L77-F80 PolarHBondContact O-N 3.23Å; L77-I81 HydrophobicContact CD2-CD1 3.66Å; L77-I81 HydrophobicContact CD2-CG1 4.48Å; L77-I81 WeakPolarHBondContact O-CG1 3.08Å; L77-I81 PolarHBondContact O-N 2.93Å
78I63.5Low59.5Low80 Ų8076.9 Ų76.941%0.4140%0.402SS..Hα-helixtrans-58.6-35.5174.4-66.1167.9000110.2F59 V75 I81 S82F59-I78 HydrophobicContact CD1-CG2 3.74Å; F59-I78 HydrophobicContact CE1-CG2 3.28Å; F59-I78 HydrophobicContact CZ-CG2 4.25Å; V75-I78 PolarHBondContact O-N 3.46Å; I78-I81 PolarHBondContact O-N 2.87Å; I78-S82 PolarHBondContact O-N 3.48Å; I78-S82 VanDerWaalsContact O-N 3.09Å
79E58.6Low59.4Low6 Ų671.9 Ų71.93%0.02838%0.377CS..Hα-helixtrans-70.8-42.2177.6-74.8171.5161.700114.5R12 K16 H63 V75 L77 I81 S82 I83R12-E79 WeakPolarHBondContact CD-OE2 3.43Å; R12-E79 IonicContact CZ-OE2 2.59Å; R12-E79 IonicContact NE-OE2 3.4Å; R12-E79 IonicContact NH1-OE2 3.34Å; R12-E79 PolarHBondContact NH1-OE2 2.9Å; K16-E79 IonicContact NZ-OE1 3.75Å; K16-E79 PolarHBondContact NZ-OE1 3.31Å; H63-E79 IonicContact CE1-OE1 2.76Å; H63-E79 PolarHBondContact CE1-OE1 2.89Å; H63-E79 IonicContact CG-OE1 2.84Å; H63-E79 IonicContact ND1-OE1 3.95Å; H63-E79 PolarHBondContact ND1-OE1 3.42Å; V75-E79 HydrophobicContact CG1-CG 4.32Å; V75-E79 WeakPolarHBondContact CG1-OE1 3.21Å; V75-E79 WeakPolarHBondContact O-CB 3.49Å; V75-E79 VanDerWaalsContact O-CD 3.28Å; V75-E79 WeakPolarHBondContact O-CG 3.33Å; V75-E79 PolarHBondContact O-N 3.46Å; L77-E79 PolarHBondContact O-N 2.85Å; E79-I81 PolarHBondContact O-N 2.9Å; E79-S82 WeakPolarHBondContact O-CB 3.36Å; E79-S82 PolarHBondContact O-N 2.95Å; E79-S82 VanDerWaalsContact O-N 3.09Å; E79-I83 PolarHBondContact O-N 2.91Å
80F61Low59.2Low112 Ų11263.6 Ų63.649%0.49134%0.344SS..Hα-helixtrans-58.9-38.3174.7-174.6-100.7000110.6T76 L77 I83 K84T76-F80 PolarHBondContact O-N 2.81Å; T76-F80 VanDerWaalsContact O-N 3.12Å; L77-F80 PolarHBondContact O-N 3.23Å; F80-I83 PolarHBondContact O-N 3.42Å; F80-K84 HydrophobicContact CD1-CG 4.33Å; F80-K84 HydrophobicContact CE1-CG 4.08Å; F80-K84 HydrophobicContact CZ-CD 4.48Å; F80-K84 HydrophobicContact CZ-CG 4.39Å; F80-K84 WeakPolarHBondContact O-CG 3.43Å; F80-K84 PolarHBondContact O-N 2.84Å; F80-K84 VanDerWaalsContact O-N 3.12Å
81I63.9Low59Low94 Ų9456.3 Ų56.348%0.48231%0.314SS..Hα-helixtrans-64-43.7174.5-64.2167.4000111.1L77 I78 E79 I83 K84 L85L77-I81 HydrophobicContact CD2-CD1 3.66Å; L77-I81 HydrophobicContact CD2-CG1 4.48Å; L77-I81 WeakPolarHBondContact O-CG1 3.08Å; L77-I81 PolarHBondContact O-N 2.93Å; I78-I81 PolarHBondContact O-N 2.87Å; E79-I81 PolarHBondContact O-N 2.9Å; I81-I83 PolarHBondContact O-N 3.25Å; I81-K84 PolarHBondContact O-N 3.48Å; I81-L85 WeakPolarHBondContact O-CB 3Å; I81-L85 PolarHBondContact O-N 3.49Å
82S63.5Low59.4Low4 Ų454.2 Ų54.23%0.02830%0.303CS..Hα-helixtrans-58.8-46.1177.4-175.50000112.2F59 I78 E79 K84 L85 C86F59-S82 WeakPolarHBondContact CD2-OG 3.42Å; I78-S82 PolarHBondContact O-N 3.48Å; I78-S82 VanDerWaalsContact O-N 3.09Å; E79-S82 WeakPolarHBondContact O-CB 3.36Å; E79-S82 PolarHBondContact O-N 2.95Å; E79-S82 VanDerWaalsContact O-N 3.09Å; S82-K84 VanDerWaalsContact C-N 3.33Å; S82-K84 PolarHBondContact O-N 2.88Å; S82-L85 PolarHBondContact O-N 3.37Å; S82-C86 WeakPolarHBondContact O-CB 3Å; S82-C86 PolarHBondContact O-N 3.24Å
83I63Low59.5Low40 Ų4048.1 Ų48.121%0.20526%0.264CS..Hα-helixtrans-62.4-42.6179.3-68.3162.5000110.5E79 F80 I81 C86 A87 L141E79-I83 PolarHBondContact O-N 2.91Å; F80-I83 PolarHBondContact O-N 3.42Å; I81-I83 PolarHBondContact O-N 3.25Å; I83-C86 PolarHBondContact O-N 2.95Å; I83-A87 WeakPolarHBondContact O-CB 3.35Å; I83-A87 PolarHBondContact O-N 3.36Å; I83-L141 HydrophobicContact CG2-CD2 3.87Å
84K59.5Low59.5Low53 Ų5346.5 Ų46.523%0.2325%0.247CC..Hα-helixtrans-66.2-41.8176.4-66.8-63.1-176-173.50112F80 I81 S82 A87 I88F80-K84 HydrophobicContact CD1-CG 4.33Å; F80-K84 HydrophobicContact CE1-CG 4.08Å; F80-K84 HydrophobicContact CZ-CD 4.48Å; F80-K84 HydrophobicContact CZ-CG 4.39Å; F80-K84 WeakPolarHBondContact O-CG 3.43Å; F80-K84 PolarHBondContact O-N 2.84Å; F80-K84 VanDerWaalsContact O-N 3.12Å; I81-K84 PolarHBondContact O-N 3.48Å; S82-K84 VanDerWaalsContact C-N 3.33Å; S82-K84 PolarHBondContact O-N 2.88Å; K84-A87 PolarHBondContact O-N 2.91Å; K84-I88 WeakPolarHBondContact O-CD1 3.38Å; K84-I88 VanDerWaalsContact O-CG1 3.27Å; K84-I88 WeakPolarHBondContact O-CG1 3.26Å; K84-I88 PolarHBondContact O-N 3.44Å
85L63.6Low59.4Low80 Ų8046.6 Ų46.642%0.41924%0.242SC..Hα-helixtrans-61-45.8176.2-167.490.6000110.7T55 I81 S82 I88 L89T55-L85 HydrophobicContact CG2-CD2 4.39Å; I81-L85 WeakPolarHBondContact O-CB 3Å; I81-L85 PolarHBondContact O-N 3.49Å; S82-L85 PolarHBondContact O-N 3.37Å; L85-I88 PolarHBondContact O-N 3.42Å; L85-L89 HydrophobicContact CD2-CD1 4.41Å; L85-L89 HydrophobicContact CG-CD1 4.46Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 3.22Å
86C60.6Low59.3Low5 Ų546.9 Ų46.93%0.03424%0.242CC..Hα-helixtrans-64.1-43.2177.8-1700000112.1E19 S82 I83 I88 L89 A90 Y148E19-C86 VanDerWaalsContact CD-SG 3.56Å; E19-C86 WeakPolarHBondContact OE1-CB 3.01Å; E19-C86 PolarHBondContact OE1-SG 2.8Å; S82-C86 WeakPolarHBondContact O-CB 3Å; S82-C86 PolarHBondContact O-N 3.24Å; I83-C86 PolarHBondContact O-N 2.95Å; C86-I88 VanDerWaalsContact C-N 3.26Å; C86-I88 PolarHBondContact O-N 3.11Å; C86-L89 PolarHBondContact O-N 2.98Å; C86-L89 VanDerWaalsContact O-N 3.13Å; C86-A90 WeakPolarHBondContact O-CB 3.5Å; C86-A90 PolarHBondContact O-N 3.27Å; C86-Y148 PolarHBondContact SG-OH 3.42Å; C86-Y148 VanDerWaalsContact SG-OH 3.37Å
87A56.2Low59Low7 Ų743.6 Ų43.66%0.05822%0.222CC..Hα-helixtrans-57.9-38.5174.300000112.5I83 K84 L91 I144I83-A87 WeakPolarHBondContact O-CB 3.35Å; I83-A87 PolarHBondContact O-N 3.36Å; K84-A87 PolarHBondContact O-N 2.91Å; A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 PolarHBondContact O-N 3.41Å; A87-I144 HydrophobicContact CB-CG1 4.39Å; A87-I144 HydrophobicContact CB-CG2 3.64Å
88I59.6Low58.6Low84 Ų8439.3 Ų39.343%0.43120%0.2SC..Hα-helixtrans-67.4-45175.4-67.3163.4000110.7K84 L85 C86 A90 L91 I92K84-I88 WeakPolarHBondContact O-CD1 3.38Å; K84-I88 VanDerWaalsContact O-CG1 3.27Å; K84-I88 WeakPolarHBondContact O-CG1 3.26Å; K84-I88 PolarHBondContact O-N 3.44Å; L85-I88 PolarHBondContact O-N 3.42Å; C86-I88 VanDerWaalsContact C-N 3.26Å; C86-I88 PolarHBondContact O-N 3.11Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.27Å; I88-L91 PolarHBondContact O-N 3.34Å; I88-I92 HydrophobicContact CG2-CD1 4.02Å; I88-I92 WeakPolarHBondContact O-CG1 3.33Å; I88-I92 PolarHBondContact O-N 3.01Å
89L61.2Low57.9Low23 Ų2339.6 Ų39.612%0.1221%0.214CC..Hα-helixtrans-60.5-40.5176.6-67.6169000111.5F48 L85 C86 I92 A93F48-L89 HydrophobicContact CD1-CD2 3.71Å; F48-L89 HydrophobicContact CE1-CD2 4.23Å; L85-L89 HydrophobicContact CD2-CD1 4.41Å; L85-L89 HydrophobicContact CG-CD1 4.46Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 3.22Å; C86-L89 PolarHBondContact O-N 2.98Å; C86-L89 VanDerWaalsContact O-N 3.13Å; L89-I92 PolarHBondContact O-N 3.33Å; L89-A93 PolarHBondContact O-N 2.79Å
90A54.3Low57.5Low1 Ų142.4 Ų42.41%0.00823%0.232CC..Hα-helixtrans-62.4-43.4174.800000112.3C86 I88 I92 A93 M94 Y148C86-A90 WeakPolarHBondContact O-CB 3.5Å; C86-A90 PolarHBondContact O-N 3.27Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.27Å; A90-I92 VanDerWaalsContact C-N 3.33Å; A90-I92 PolarHBondContact O-N 3.49Å; A90-A93 PolarHBondContact O-N 2.86Å; A90-M94 WeakPolarHBondContact O-CG 3.34Å; A90-M94 PolarHBondContact O-N 2.99Å; A90-Y148 HydrophobicContact CB-CD2 3.9Å; A90-Y148 HydrophobicContact CB-CE1 4.44Å; A90-Y148 HydrophobicContact CB-CE2 3.19Å
91L53.8Low57Low35 Ų3538.6 Ų38.618%0.18322%0.224CC..Hα-helixtrans-64.1-39177.1-177.1137.8000111.4A87 I88 M94 I95 A111A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 PolarHBondContact O-N 3.41Å; I88-L91 PolarHBondContact O-N 3.34Å; L91-M94 WeakPolarHBondContact O-CB 3.24Å; L91-M94 PolarHBondContact O-N 3.22Å; L91-I95 HydrophobicContact CD2-CD1 3.58Å; L91-I95 HydrophobicContact CG-CD1 4.33Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 3.37Å; L91-A111 HydrophobicContact CD1-CB 4.28Å
92I62Low56Low56 Ų5638.1 Ų38.129%0.28724%0.242SC..Hα-helixtrans-63.6-45.7173.7-65.4164.6000110.5F48 I88 L89 A90 M94 I95 I96F48-I92 HydrophobicContact CD2-CG2 4.05Å; F48-I92 HydrophobicContact CE1-CG2 4.13Å; F48-I92 HydrophobicContact CE2-CG2 3.62Å; F48-I92 HydrophobicContact CZ-CG2 3.65Å; I88-I92 HydrophobicContact CG2-CD1 4.02Å; I88-I92 WeakPolarHBondContact O-CG1 3.33Å; I88-I92 PolarHBondContact O-N 3.01Å; L89-I92 PolarHBondContact O-N 3.33Å; A90-I92 VanDerWaalsContact C-N 3.33Å; A90-I92 PolarHBondContact O-N 3.49Å; I92-M94 VanDerWaalsContact C-N 3.3Å; I92-M94 PolarHBondContact O-N 3Å; I92-I95 PolarHBondContact O-N 3.37Å; I92-I96 HydrophobicContact CG2-CD1 3.83Å; I92-I96 HydrophobicContact CG2-CG1 4.48Å; I92-I96 WeakPolarHBondContact O-CG1 3.32Å; I92-I96 PolarHBondContact O-N 2.9Å
93A57.6Low55Low5 Ų541.4 Ų41.44%0.04128%0.277CS..Hα-helixtrans-60.5-38.9176.900000112.3L45 L89 A90 I96 T97 I151L45-A93 HydrophobicContact CD2-CB 3.77Å; L45-A93 VanDerWaalsContact CD2-O 3.23Å; L45-A93 WeakPolarHBondContact CD2-O 3.41Å; L89-A93 PolarHBondContact O-N 2.79Å; A90-A93 PolarHBondContact O-N 2.86Å; A93-I96 PolarHBondContact O-N 3.25Å; A93-T97 WeakPolarHBondContact O-CB 3.43Å; A93-T97 PolarHBondContact O-N 3.15Å; A93-T97 PolarHBondContact O-OG1 2.95Å; A93-I151 HydrophobicContact CB-CD1 4.22Å
94M52.9Low53.9Low1 Ų141.8 Ų41.81%0.00528%0.284CS..Hα-helixtrans-61.6-48.1173.4-76.9-84.1-79.700112.5A90 L91 I92 I96 T97 A98 P107 S110 A111 P147 I151A90-M94 WeakPolarHBondContact O-CG 3.34Å; A90-M94 PolarHBondContact O-N 2.99Å; L91-M94 WeakPolarHBondContact O-CB 3.24Å; L91-M94 PolarHBondContact O-N 3.22Å; I92-M94 VanDerWaalsContact C-N 3.3Å; I92-M94 PolarHBondContact O-N 3Å; M94-I96 VanDerWaalsContact C-N 3.3Å; M94-I96 PolarHBondContact O-N 2.96Å; M94-T97 PolarHBondContact O-N 3.31Å; M94-A98 WeakPolarHBondContact O-CB 3.43Å; M94-A98 PolarHBondContact O-N 2.95Å; M94-P107 HydrophobicContact CE-CB 3.76Å; M94-P107 WeakPolarHBondContact CE-O 2.86Å; M94-P107 HydrophobicContact SD-CB 3.9Å; M94-S110 WeakPolarHBondContact CE-OG 3.35Å; M94-A111 HydrophobicContact CE-CB 4.18Å; M94-P147 HydrophobicContact CE-CB 3.44Å; M94-P147 VanDerWaalsContact CE-CB 3.44Å; M94-P147 HydrophobicContact CG-CB 3.32Å; M94-P147 VanDerWaalsContact SD-CA 3.51Å; M94-P147 HydrophobicContact SD-CB 3.36Å; M94-P147 WeakPolarHBondContact SD-CB 3.38Å; M94-I151 HydrophobicContact CG-CD1 3.75Å; M94-I151 HydrophobicContact CG-CG1 4.32Å; M94-I151 HydrophobicContact SD-CD1 3.85Å; M94-I151 HydrophobicContact SD-CG1 3.75Å
95I56.1Low52.7Low92 Ų9242.4 Ų42.447%0.47230%0.299SS..Hα-helixtrans-60.1-43.8179.2-69.3167000110.1L91 I92 A98 A99L91-I95 HydrophobicContact CD2-CD1 3.58Å; L91-I95 HydrophobicContact CG-CD1 4.33Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 3.37Å; I92-I95 PolarHBondContact O-N 3.37Å; I95-A98 PolarHBondContact O-N 3.46Å; I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.33Å; I95-A99 PolarHBondContact O-N 2.87Å
96I57.5Low51.6Low35 Ų3540.9 Ų40.918%0.17930%0.298CS..Hα-helixtrans-62.8-47.9177.5-66.2166.8000110.3A41 F44 L45 F48 I92 A93 M94 A98 A99 T100A41-I96 HydrophobicContact CB-CG2 4.03Å; F44-I96 HydrophobicContact CB-CD1 4.11Å; L45-I96 HydrophobicContact CD2-CB 4.18Å; L45-I96 HydrophobicContact CD2-CG2 4.13Å; L45-I96 HydrophobicContact CG-CG2 4.07Å; F48-I96 HydrophobicContact CD2-CD1 3.82Å; F48-I96 HydrophobicContact CE2-CD1 3.54Å; I92-I96 HydrophobicContact CG2-CD1 3.83Å; I92-I96 HydrophobicContact CG2-CG1 4.48Å; I92-I96 WeakPolarHBondContact O-CG1 3.32Å; I92-I96 PolarHBondContact O-N 2.9Å; A93-I96 PolarHBondContact O-N 3.25Å; M94-I96 VanDerWaalsContact C-N 3.3Å; M94-I96 PolarHBondContact O-N 2.96Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.49Å; I96-A99 PolarHBondContact O-N 2.94Å; I96-T100 PolarHBondContact O-N 3.35Å; I96-T100 PolarHBondContact O-OG1 2.87Å
97T52.1Low50.5Low5 Ų540.8 Ų40.83%0.03130%0.297CS..Hα-helixtrans-59.5-45.6179.4-55.60000111.1L45 A93 M94 T100 G101 M154L45-T97 WeakPolarHBondContact CD2-OG1 3.33Å; A93-T97 WeakPolarHBondContact O-CB 3.43Å; A93-T97 PolarHBondContact O-N 3.15Å; A93-T97 PolarHBondContact O-OG1 2.95Å; M94-T97 PolarHBondContact O-N 3.31Å; T97-T100 WeakPolarHBondContact CA-OG1 3.22Å; T97-T100 PolarHBondContact O-N 3.41Å; T97-T100 PolarHBondContact O-OG1 3.03Å; T97-G101 PolarHBondContact O-N 3.29Å; T97-M154 HydrophobicContact CG2-SD 4.5Å
98A49.3Very low49.7Very low8 Ų844.8 Ų44.87%0.06632%0.316CS..Hα-helixtrans-63.9-41.7177.200000112.7M94 I95 I96 T100 G101 P107 I108M94-A98 WeakPolarHBondContact O-CB 3.43Å; M94-A98 PolarHBondContact O-N 2.95Å; I95-A98 PolarHBondContact O-N 3.46Å; I96-A98 VanDerWaalsContact C-N 3.34Å; I96-A98 PolarHBondContact O-N 3.49Å; A98-T100 VanDerWaalsContact C-N 3.31Å; A98-T100 PolarHBondContact O-N 2.94Å; A98-G101 PolarHBondContact O-N 2.9Å; A98-P107 HydrophobicContact CB-CB 4.05Å; A98-P107 HydrophobicContact CB-CG 3.93Å; A98-I108 HydrophobicContact CB-CD1 4.04Å; A98-I108 HydrophobicContact CB-CG1 3.6Å
99A49.9Very low48.6Very low85 Ų8543.7 Ų43.770%0.70232%0.319SS*.Hα-helixtrans-65.2-34.9177.600000112I95 I96I95-A99 VanDerWaalsContact O-CB 3.28Å; I95-A99 WeakPolarHBondContact O-CB 3.33Å; I95-A99 PolarHBondContact O-N 2.87Å; I96-A99 PolarHBondContact O-N 2.94Å
100T50.7Low47.7Very low66 Ų6643.3 Ų43.341%0.40532%0.319SS..Hα-helixtrans-80.4-29.6173.641.60000114.8A41 I96 T97 A98 G102A41-T100 HydrophobicContact CB-CG2 3.13Å; I96-T100 PolarHBondContact O-N 3.35Å; I96-T100 PolarHBondContact O-OG1 2.87Å; T97-T100 WeakPolarHBondContact CA-OG1 3.22Å; T97-T100 PolarHBondContact O-N 3.41Å; T97-T100 PolarHBondContact O-OG1 3.03Å; A98-T100 VanDerWaalsContact C-N 3.31Å; A98-T100 PolarHBondContact O-N 2.94Å; T100-G102 PolarHBondContact O-N 3.47Å
101G49Very low46.8Very low31 Ų3143.7 Ų43.732%0.3232%0.322SS..THydrogen-bonded Turntrans-80.151.2-177.200000113.1T97 A98 G103 S104T97-G101 PolarHBondContact O-N 3.29Å; A98-G101 PolarHBondContact O-N 2.9Å; G101-G103 PolarHBondContact O-N 3.38Å; G101-S104 PolarHBondContact O-N 3.16Å
102G44.5Very low46Very low84 Ų8447.3 Ų47.387%0.86634%0.341SS*.THydrogen-bonded Turntrans41.821.615800000120.4T100T100-G102 PolarHBondContact O-N 3.47Å
103G41.2Very low44.8Very low74 Ų7447 Ų4776%0.76334%0.342SS*.THydrogen-bonded Turntrans112.911.8-17800000116.8G101 A105G101-G103 PolarHBondContact O-N 3.38Å; G103-A105 PolarHBondContact O-N 2.93Å; G103-A105 VanDerWaalsContact O-N 3.11Å
104S41Very low43.8Very low48 Ų4847.1 Ų47.134%0.33634%0.342SS..  trans-76.3100.4168.2-159.90000109.5G101 A106 P107G101-S104 PolarHBondContact O-N 3.16Å; S104-A106 PolarHBondContact O-N 3.09Å; S104-P107 WeakPolarHBondContact O-CD 3.36Å
105A34.2Very low42.7Very low66 Ų6650.7 Ų50.755%0.54536%0.364SS..  trans-73-8.5172.700000112.8G103 P107 I108 A109G103-A105 PolarHBondContact O-N 2.93Å; G103-A105 VanDerWaalsContact O-N 3.11Å; A105-P107 VanDerWaalsContact C-CD 3.46Å; A105-I108 PolarHBondContact O-N 2.95Å; A105-A109 WeakPolarHBondContact O-CB 3.04Å; A105-A109 PolarHBondContact O-N 3.27Å
106A40Very low41.5Very low48 Ų4848.3 Ų48.340%0.39736%0.363SS..Hα-helixtrans-58.8-39.9-178.100000114.7S104 S110 M154S104-A106 PolarHBondContact O-N 3.09Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 3.33Å; A106-M154 HydrophobicContact CB-CE 4.44Å
107P38.5Very low40.4Very low3 Ų348 Ų482%0.01936%0.361CS..Hα-helixtrans-70.2-39175.6-8.123.6000111.3M94 A98 S104 A105 A109 S110 A111 M154M94-P107 HydrophobicContact CE-CB 3.76Å; M94-P107 WeakPolarHBondContact CE-O 2.86Å; M94-P107 HydrophobicContact SD-CB 3.9Å; A98-P107 HydrophobicContact CB-CB 4.05Å; A98-P107 HydrophobicContact CB-CG 3.93Å; S104-P107 WeakPolarHBondContact O-CD 3.36Å; A105-P107 VanDerWaalsContact C-CD 3.46Å; P107-A109 VanDerWaalsContact C-N 3.32Å; P107-A109 PolarHBondContact O-N 3.39Å; P107-S110 PolarHBondContact O-N 2.85Å; P107-S110 PolarHBondContact O-OG 3.42Å; P107-A111 PolarHBondContact O-N 3.3Å; P107-M154 HydrophobicContact CG-CE 3.58Å; P107-M154 HydrophobicContact CG-SD 4.14Å
108I38.7Very low39.5Very low91 Ų9151.1 Ų51.147%0.46738%0.377SS..Hα-helixtrans-61.8-45.7177.5-54.4175000109.5A98 A105 S110 A111 I112A98-I108 HydrophobicContact CB-CD1 4.04Å; A98-I108 HydrophobicContact CB-CG1 3.6Å; A105-I108 PolarHBondContact O-N 2.95Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-S110 PolarHBondContact O-N 2.83Å; I108-A111 PolarHBondContact O-N 3.26Å; I108-A111 VanDerWaalsContact O-N 3.1Å; I108-I112 WeakPolarHBondContact O-CG1 3.44Å; I108-I112 PolarHBondContact O-N 3.1Å
109A37Very low38.7Very low60 Ų6057.3 Ų57.350%0.49641%0.409SS..Hα-helixtrans-61.1-35179.300000113.5A105 P107 P113A105-A109 WeakPolarHBondContact O-CB 3.04Å; A105-A109 PolarHBondContact O-N 3.27Å; P107-A109 VanDerWaalsContact C-N 3.32Å; P107-A109 PolarHBondContact O-N 3.39Å; A109-P113 VanDerWaalsContact O-CD 3.28Å; A109-P113 WeakPolarHBondContact O-CD 3.35Å
110S41.2Very low37.8Very low16 Ų1661.6 Ų61.611%0.11241%0.412CS..Hα-helixtrans-82.2-17175.863.30000113.9M94 A106 P107 I108 P113M94-S110 WeakPolarHBondContact CE-OG 3.35Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 PolarHBondContact O-OG 3.33Å; P107-S110 PolarHBondContact O-N 2.85Å; P107-S110 PolarHBondContact O-OG 3.42Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-S110 PolarHBondContact O-N 2.83Å; S110-P113 WeakPolarHBondContact O-CD 3.42Å; S110-P113 VanDerWaalsContact O-CG 3.29Å; S110-P113 WeakPolarHBondContact O-CG 3.49Å
111A36.5Very low36.9Very low9 Ų960.9 Ų60.97%0.07441%0.409CS..Hα-helixtrans-79-32.6172.700000113.6L91 M94 P107 I108 V114 T115L91-A111 HydrophobicContact CD1-CB 4.28Å; M94-A111 HydrophobicContact CE-CB 4.18Å; P107-A111 PolarHBondContact O-N 3.3Å; I108-A111 PolarHBondContact O-N 3.26Å; I108-A111 VanDerWaalsContact O-N 3.1Å; A111-V114 WeakPolarHBondContact O-CB 3.14Å; A111-V114 PolarHBondContact O-N 3.32Å; A111-T115 PolarHBondContact O-N 3.18Å; A111-T115 PolarHBondContact O-OG1 3.1Å
112I36Very low35.9Very low111 Ų11162.5 Ų62.557%0.56943%0.426SS*.Hα-helixtrans-52.2-46179.3-65.2165.2000113.5I108 V114 T115 G116I108-I112 WeakPolarHBondContact O-CG1 3.44Å; I108-I112 PolarHBondContact O-N 3.1Å; I112-V114 PolarHBondContact O-N 3.49Å; I112-T115 PolarHBondContact O-N 3.34Å; I112-T115 VanDerWaalsContact O-N 3.11Å; I112-T115 PolarHBondContact O-OG1 3.33Å; I112-G116 PolarHBondContact O-N 3.42Å
113P37.5Very low35.2Very low50 Ų5066.7 Ų66.733%0.32542%0.423SS..Hα-helixtrans-62.3-30.7178.121.5-32000112.8A109 S110 T115 G116 L117A109-P113 VanDerWaalsContact O-CD 3.28Å; A109-P113 WeakPolarHBondContact O-CD 3.35Å; S110-P113 WeakPolarHBondContact O-CD 3.42Å; S110-P113 VanDerWaalsContact O-CG 3.29Å; S110-P113 WeakPolarHBondContact O-CG 3.49Å; P113-T115 VanDerWaalsContact C-N 3.3Å; P113-T115 PolarHBondContact O-N 3.27Å; P113-G116 PolarHBondContact O-N 3.17Å; P113-L117 PolarHBondContact O-N 3.03Å; P113-L117 VanDerWaalsContact O-N 3.13Å
114V35.4Very low34.4Very low7 Ų772.1 Ų72.14%0.04243%0.431CS..Hα-helixtrans-66.9-32.8176.8-166.90000111.3A111 I112 L117 I118 Q143 I144A111-V114 WeakPolarHBondContact O-CB 3.14Å; A111-V114 PolarHBondContact O-N 3.32Å; I112-V114 PolarHBondContact O-N 3.49Å; V114-L117 WeakPolarHBondContact O-CB 3.36Å; V114-L117 PolarHBondContact O-N 3.28Å; V114-I118 WeakPolarHBondContact O-CG1 3.45Å; V114-I118 PolarHBondContact O-N 2.95Å; V114-Q143 WeakPolarHBondContact CG2-O 3.09Å; V114-I144 HydrophobicContact CG1-CG1 3.85Å
115T30.8Very low33.8Very low75 Ų7573.9 Ų73.946%0.4645%0.449SS..Hα-helixtrans-71.5-35.6174.9-20.70000112.1A111 I112 P113 L117 I118 N119A111-T115 PolarHBondContact O-N 3.18Å; A111-T115 PolarHBondContact O-OG1 3.1Å; I112-T115 PolarHBondContact O-N 3.34Å; I112-T115 VanDerWaalsContact O-N 3.11Å; I112-T115 PolarHBondContact O-OG1 3.33Å; P113-T115 VanDerWaalsContact C-N 3.3Å; P113-T115 PolarHBondContact O-N 3.27Å; T115-L117 PolarHBondContact O-N 3.19Å; T115-I118 HydrophobicContact CG2-CD1 4.48Å; T115-I118 PolarHBondContact O-N 2.93Å; T115-I118 VanDerWaalsContact O-N 3.11Å; T115-N119 PolarHBondContact O-N 3.23Å; T115-N119 VanDerWaalsContact O-N 3.15Å
116G30.9Very low33.5Very low43 Ų4378.9 Ų78.944%0.44346%0.458SS..Hα-helixtrans-59-35.3171.100000112.4I112 P113 N119 K120I112-G116 PolarHBondContact O-N 3.42Å; P113-G116 PolarHBondContact O-N 3.17Å; G116-N119 PolarHBondContact O-N 3.42Å; G116-K120 PolarHBondContact O-N 2.9Å
117L33.6Very low32.7Very low27 Ų2784.7 Ų84.714%0.14148%0.475CS..Hα-helixtrans-70-32173.9-89.5158.9000114.3P113 V114 T115 N119 S121 D140 Q143P113-L117 PolarHBondContact O-N 3.03Å; P113-L117 VanDerWaalsContact O-N 3.13Å; V114-L117 WeakPolarHBondContact O-CB 3.36Å; V114-L117 PolarHBondContact O-N 3.28Å; T115-L117 PolarHBondContact O-N 3.19Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-S121 PolarHBondContact O-N 2.85Å; L117-D140 HydrophobicContact CD1-CB 3.8Å; L117-D140 WeakPolarHBondContact CD1-OD1 3.36Å; L117-D140 HydrophobicContact CD2-CB 3.82Å; L117-D140 WeakPolarHBondContact CD2-OD1 3.28Å; L117-D140 WeakPolarHBondContact CD2-OD2 3.29Å; L117-D140 HydrophobicContact CG-CB 4.43Å; L117-Q143 HydrophobicContact CD1-CB 4.2Å; L117-Q143 VanDerWaalsContact CD1-OE1 3.31Å
118I34.8Very low32.1Very low71 Ų7193.7 Ų93.736%0.36451%0.514SS..Hα-helixtrans-67.7-38173.2-60.7164.9000109.9V114 T115 K120 S121V114-I118 WeakPolarHBondContact O-CG1 3.45Å; V114-I118 PolarHBondContact O-N 2.95Å; T115-I118 HydrophobicContact CG2-CD1 4.48Å; T115-I118 PolarHBondContact O-N 2.93Å; T115-I118 VanDerWaalsContact O-N 3.11Å; I118-K120 PolarHBondContact O-N 3.44Å; I118-S121 WeakPolarHBondContact O-CB 3.43Å; I118-S121 PolarHBondContact O-N 3.26Å
119N31.6Very low31.6Very low139 Ų13993.1 Ų93.174%0.74351%0.514SS*.Hα-helixtrans-70.6-30.3-179.2-150-0.1000112.8T115 G116 L117 S121 G122T115-N119 PolarHBondContact O-N 3.23Å; T115-N119 VanDerWaalsContact O-N 3.15Å; G116-N119 PolarHBondContact O-N 3.42Å; L117-N119 VanDerWaalsContact C-N 3.33Å; N119-S121 PolarHBondContact O-N 3.43Å; N119-G122 PolarHBondContact O-N 3.46Å
120K31.7Very low31.5Very low175 Ų17593.7 Ų93.776%0.76151%0.512SS*.Hα-helixtrans-69.8-16.8170.1-73.4-150.9177.8-176.90114.1G116 I118 G122G116-K120 PolarHBondContact O-N 2.9Å; I118-K120 PolarHBondContact O-N 3.44Å; K120-G122 PolarHBondContact O-N 3.2Å
121S31Very low30.8Very low50 Ų5096.6 Ų96.635%0.3553%0.525SS..THydrogen-bonded Turntrans-74.5-9.3174.6-171.70000113.6L117 I118 N119 E123L117-S121 PolarHBondContact O-N 2.85Å; I118-S121 WeakPolarHBondContact O-CB 3.43Å; I118-S121 PolarHBondContact O-N 3.26Å; N119-S121 PolarHBondContact O-N 3.43Å; S121-E123 PolarHBondContact O-N 2.76Å
122G28.5Very low30.4Very low66 Ų66103.8 Ų103.868%0.6856%0.557SS**THydrogen-bonded Turntrans-69.2-15.3177.500000114.2N119 K120 M124N119-G122 PolarHBondContact O-N 3.46Å; K120-G122 PolarHBondContact O-N 3.2Å; G122-M124 PolarHBondContact O-N 2.92Å; G122-M124 VanDerWaalsContact O-N 3.09Å
123E28.6Very low30.3Very low172 Ų172102.8 Ų102.880%0.80455%0.55SS*.  trans-86.275.9175.4-71.2-170.3134.900111.3S121 A125S121-E123 PolarHBondContact O-N 2.76Å; E123-A125 PolarHBondContact O-N 3.37Å
124M24.7Very low30.1Very low187 Ų187102.2 Ų102.292%0.92154%0.543SS*.THydrogen-bonded Turntrans-6320.9169.8-103.2-83.4-163.400114.6G122G122-M124 PolarHBondContact O-N 2.92Å; G122-M124 VanDerWaalsContact O-N 3.09Å
125A28.7Very low29.9Very low86 Ų86107.1 Ų107.171%0.71157%0.573SS**THydrogen-bonded Turntrans-100-14.2-162.100000116.7E123E123-A125 PolarHBondContact O-N 3.37Å
126K27Very low30.2Very low170 Ų170109 Ų10974%0.73958%0.577SS**  trans-14885.5175.6-88.3-169.2177.21730113K128K126-K128 PolarHBondContact O-N 2.84Å
127F25.1Very low30.5Very low170 Ų170109.3 Ų109.375%0.74657%0.57SS**THydrogen-bonded Turntrans-5819162.1-161.2-101.3000114.4V130F127-V130 HydrophobicContact CG-CG2 4.45Å; F127-V130 VanDerWaalsContact O-CG2 3.26Å; F127-V130 WeakPolarHBondContact O-CG2 3.27Å
128K24.3Very low30.4Very low193 Ų193109.7 Ų109.784%0.83958%0.577SS**THydrogen-bonded Turntrans-115.1-0.8-169.2-140.4178.5-175.6-176.80114.5K126K126-K128 PolarHBondContact O-N 2.84Å
129T29.1Very low30.5Very low78 Ų78109.2 Ų109.248%0.47958%0.58SS.*  trans-111.418.1172.840.80000113.1L131 H132T129-L131 PolarHBondContact O-N 3.23Å; T129-H132 PolarHBondContact O-N 2.85Å; T129-H132 VanDerWaalsContact O-N 3.13Å
130V34.7Very low30.9Very low73 Ų73104.3 Ų104.344%0.44255%0.554SS.*THydrogen-bonded Turntrans-52.90.3179.7178.30000114.8F127F127-V130 HydrophobicContact CG-CG2 4.45Å; F127-V130 VanDerWaalsContact O-CG2 3.26Å; F127-V130 WeakPolarHBondContact O-CG2 3.27Å
131L26.2Very low31.2Very low76 Ų7696.5 Ų96.540%0.39852%0.52SS..THydrogen-bonded Turntrans-127.8-13.8-178.4-97.9161.2000115.9L3 T129L3-L131 HydrophobicContact CB-CD1 3.96Å; L3-L131 HydrophobicContact CB-CD2 3.21Å; L3-L131 HydrophobicContact CB-CG 4.09Å; L3-L131 HydrophobicContact CD1-CB 4.32Å; L3-L131 HydrophobicContact CD1-CD2 4.05Å; L3-L131 HydrophobicContact CD2-CD2 4.11Å; L3-L131 HydrophobicContact CG-CD2 3.97Å; T129-L131 PolarHBondContact O-N 3.23Å
132H29.4Very low31.6Very low160 Ų16097.1 Ų97.174%0.74152%0.519SS*.THydrogen-bonded Turntrans-99.5-10.7173.8-132.1-72.9000112.7T129T129-H132 PolarHBondContact O-N 2.85Å; T129-H132 VanDerWaalsContact O-N 3.13Å
133E31.9Very low32.2Very low90 Ų9097.1 Ų97.142%0.42150%0.501SS..SBendtrans-90.3-11.6-178.6-153.4167.6164.200111.8T135 E136 V137E133-T135 VanDerWaalsContact C-N 3.28Å; E133-T135 PolarHBondContact O-N 2.85Å; E133-E136 HydrophobicContact CG-CB 4.33Å; E133-E136 CarbonylContact O-C 3.44Å; E133-E136 WeakPolarHBondContact O-CA 3.24Å; E133-E136 WeakPolarHBondContact O-CB 3.15Å; E133-E136 PolarHBondContact O-N 3.41Å; E133-V137 HydrophobicContact CG-CG2 4.48Å; E133-V137 VanDerWaalsContact O-CG2 3.32Å; E133-V137 WeakPolarHBondContact O-CG2 3.4Å; E133-V137 PolarHBondContact O-N 3.03Å
134E33.4Very low32.7Very low38 Ų3889.7 Ų89.718%0.17847%0.467CS..Hα-helixtrans-66.1-23.8-175.3-72.8-95.316100113.6R12 A138R12-E134 IonicContact NH2-OE1 3.71Å; E134-A138 WeakPolarHBondContact O-CB 3.39Å; E134-A138 PolarHBondContact O-N 3.4Å
135T31.7Very low33.5Very low110 Ų11081.2 Ų81.268%0.67543%0.425SS*.Hα-helixtrans-74.2-33.6168.145.70000112.4E133 A138 S139E133-T135 VanDerWaalsContact C-N 3.28Å; E133-T135 PolarHBondContact O-N 2.85Å; T135-A138 PolarHBondContact O-N 3.28Å; T135-S139 PolarHBondContact O-N 3.47Å
136E36.5Very low34.1Very low116 Ų11681 Ų8154%0.54241%0.408SS..Hα-helixtrans-69.2-42.2170.1-70.7-169.6160.700109.8E133 A138 S139 D140E133-E136 HydrophobicContact CG-CB 4.33Å; E133-E136 CarbonylContact O-C 3.44Å; E133-E136 WeakPolarHBondContact O-CA 3.24Å; E133-E136 WeakPolarHBondContact O-CB 3.15Å; E133-E136 PolarHBondContact O-N 3.41Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 3.23Å; E136-S139 WeakPolarHBondContact CA-OG 3.38Å; E136-S139 CarbonylContact O-C 3.46Å; E136-S139 WeakPolarHBondContact O-CA 3.34Å; E136-S139 PolarHBondContact O-N 2.9Å; E136-S139 PolarHBondContact O-OG 3.3Å; E136-D140 VanDerWaalsContact O-CB 3.25Å; E136-D140 WeakPolarHBondContact O-CB 3.3Å; E136-D140 VanDerWaalsContact O-CG 3.23Å; E136-D140 PolarHBondContact O-N 3.14Å
137V37.4Very low34.6Very low48 Ų4873.1 Ų73.129%0.29137%0.374SS..Hα-helixtrans-60.3-38.8172.6179.90000110.8E133 S139 D140 L141E133-V137 HydrophobicContact CG-CG2 4.48Å; E133-V137 VanDerWaalsContact O-CG2 3.32Å; E133-V137 WeakPolarHBondContact O-CG2 3.4Å; E133-V137 PolarHBondContact O-N 3.03Å; V137-S139 VanDerWaalsContact C-N 3.34Å; V137-D140 PolarHBondContact O-N 3.06Å; V137-L141 HydrophobicContact CG1-CD1 3.61Å; V137-L141 HydrophobicContact CG1-CG 3.97Å; V137-L141 WeakPolarHBondContact O-CA 3.28Å; V137-L141 WeakPolarHBondContact O-CB 3.38Å; V137-L141 WeakPolarHBondContact O-CD1 3.23Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 3.06Å
138A32.6Very low35.1Very low36 Ų3665.9 Ų65.930%0.29834%0.342SS..Hα-helixtrans-65.1-39.7173.500000111.3F15 E134 T135 E136 L142F15-A138 HydrophobicContact CZ-CB 4.41Å; E134-A138 WeakPolarHBondContact O-CB 3.39Å; E134-A138 PolarHBondContact O-N 3.4Å; T135-A138 PolarHBondContact O-N 3.28Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.36Å; A138-L142 PolarHBondContact O-N 3.38Å
139S37.4Very low35.9Very low60 Ų6056.9 Ų56.942%0.4230%0.303SS..Hα-helixtrans-72-36.8176.677.80000113.2T135 E136 V137 L142 Q143T135-S139 PolarHBondContact O-N 3.47Å; E136-S139 WeakPolarHBondContact CA-OG 3.38Å; E136-S139 CarbonylContact O-C 3.46Å; E136-S139 WeakPolarHBondContact O-CA 3.34Å; E136-S139 PolarHBondContact O-N 2.9Å; E136-S139 PolarHBondContact O-OG 3.3Å; V137-S139 VanDerWaalsContact C-N 3.34Å; S139-L142 CarbonylContact O-C 3.6Å; S139-L142 WeakPolarHBondContact O-CB 3.32Å; S139-L142 PolarHBondContact O-N 2.84Å; S139-Q143 PolarHBondContact O-N 3.31Å
140D38Very low36.2Very low37 Ų3757.6 Ų57.620%0.19830%0.298CS..Hα-helixtrans-72.4-37.1175.3-75.6-19.5000110L117 E136 V137 Q143 I144L117-D140 HydrophobicContact CD1-CB 3.8Å; L117-D140 WeakPolarHBondContact CD1-OD1 3.36Å; L117-D140 HydrophobicContact CD2-CB 3.82Å; L117-D140 WeakPolarHBondContact CD2-OD1 3.28Å; L117-D140 WeakPolarHBondContact CD2-OD2 3.29Å; L117-D140 HydrophobicContact CG-CB 4.43Å; E136-D140 VanDerWaalsContact O-CB 3.25Å; E136-D140 WeakPolarHBondContact O-CB 3.3Å; E136-D140 VanDerWaalsContact O-CG 3.23Å; E136-D140 PolarHBondContact O-N 3.14Å; V137-D140 PolarHBondContact O-N 3.06Å; D140-Q143 CarbonylContact O-C 3.42Å; D140-Q143 WeakPolarHBondContact O-CA 2.86Å; D140-Q143 WeakPolarHBondContact O-CB 3.43Å; D140-Q143 PolarHBondContact O-N 3.39Å; D140-Q143 VanDerWaalsContact O-N 3.17Å; D140-I144 WeakPolarHBondContact O-CB 3.4Å; D140-I144 WeakPolarHBondContact O-CD1 3.45Å; D140-I144 WeakPolarHBondContact O-CG1 3.45Å; D140-I144 PolarHBondContact O-N 3.17Å
141L38.6Very low36.3Very low11 Ų1155 Ų556%0.05828%0.281CS..Hα-helixtrans-67.7-39.5170.3-78.8168.8000109.9F15 I83 V137 Q143 I144 Y145F15-L141 HydrophobicContact CD1-CD1 4.04Å; F15-L141 HydrophobicContact CD2-CD1 4.22Å; F15-L141 HydrophobicContact CE1-CD1 3.92Å; F15-L141 HydrophobicContact CE2-CD1 4.09Å; F15-L141 HydrophobicContact CG-CD1 4.2Å; F15-L141 HydrophobicContact CZ-CD1 3.95Å; I83-L141 HydrophobicContact CG2-CD2 3.87Å; V137-L141 HydrophobicContact CG1-CD1 3.61Å; V137-L141 HydrophobicContact CG1-CG 3.97Å; V137-L141 WeakPolarHBondContact O-CA 3.28Å; V137-L141 WeakPolarHBondContact O-CB 3.38Å; V137-L141 WeakPolarHBondContact O-CD1 3.23Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 3.06Å; L141-Q143 PolarHBondContact O-N 2.85Å; L141-I144 HydrophobicContact CD2-CD1 3.97Å; L141-I144 HydrophobicContact CG-CD1 4.5Å; L141-I144 CarbonylContact O-C 3.39Å; L141-I144 WeakPolarHBondContact O-CA 3.06Å; L141-I144 PolarHBondContact O-N 3.13Å; L141-Y145 HydrophobicContact CB-CD2 4.34Å; L141-Y145 HydrophobicContact CD2-CE2 4.29Å; L141-Y145 WeakPolarHBondContact O-CB 3.21Å; L141-Y145 WeakPolarHBondContact O-CD2 3.37Å; L141-Y145 PolarHBondContact O-N 3.46Å
142L39.6Very low36.7Very low62 Ų6252.3 Ų52.333%0.32527%0.269SS..Hα-helixtrans-62.6-32.7170.6-119.6152.3000111.2A138 S139 K146 I166A138-L142 WeakPolarHBondContact O-CB 3.36Å; A138-L142 PolarHBondContact O-N 3.38Å; S139-L142 CarbonylContact O-C 3.6Å; S139-L142 WeakPolarHBondContact O-CB 3.32Å; S139-L142 PolarHBondContact O-N 2.84Å; L142-K146 WeakPolarHBondContact O-CB 3.36Å; L142-K146 WeakPolarHBondContact O-CG 3.27Å; L142-K146 PolarHBondContact O-N 2.97Å; L142-I166 HydrophobicContact CD1-CG1 4.49Å; L142-I166 HydrophobicContact CD2-CG1 4.1Å
143Q41.9Very low36.9Very low66 Ų6646.9 Ų46.931%0.30825%0.245SC..Hα-helixtrans-70.6-35.8168.2-73.7-170.39.400112.9V114 L117 S139 D140 L141 Y145 K146 P147V114-Q143 WeakPolarHBondContact CG2-O 3.09Å; L117-Q143 HydrophobicContact CD1-CB 4.2Å; L117-Q143 VanDerWaalsContact CD1-OE1 3.31Å; S139-Q143 PolarHBondContact O-N 3.31Å; D140-Q143 CarbonylContact O-C 3.42Å; D140-Q143 WeakPolarHBondContact O-CA 2.86Å; D140-Q143 WeakPolarHBondContact O-CB 3.43Å; D140-Q143 PolarHBondContact O-N 3.39Å; D140-Q143 VanDerWaalsContact O-N 3.17Å; L141-Q143 PolarHBondContact O-N 2.85Å; Q143-Y145 VanDerWaalsContact C-N 3.34Å; Q143-K146 WeakPolarHBondContact O-CB 3.32Å; Q143-P147 WeakPolarHBondContact O-CD 3.28Å
144I39.5Very low37Very low17 Ų1745.8 Ų45.89%0.08724%0.241CC..Hα-helixtrans-72.5-26.6174.9-67.5157.1000111.5A87 V114 D140 L141 P147A87-I144 HydrophobicContact CB-CG1 4.39Å; A87-I144 HydrophobicContact CB-CG2 3.64Å; V114-I144 HydrophobicContact CG1-CG1 3.85Å; D140-I144 WeakPolarHBondContact O-CB 3.4Å; D140-I144 WeakPolarHBondContact O-CD1 3.45Å; D140-I144 WeakPolarHBondContact O-CG1 3.45Å; D140-I144 PolarHBondContact O-N 3.17Å; L141-I144 HydrophobicContact CD2-CD1 3.97Å; L141-I144 HydrophobicContact CG-CD1 4.5Å; L141-I144 CarbonylContact O-C 3.39Å; L141-I144 WeakPolarHBondContact O-CA 3.06Å; L141-I144 PolarHBondContact O-N 3.13Å; I144-P147 VanDerWaalsContact C-CD 3.47Å; I144-P147 WeakPolarHBondContact O-CD 3.37Å; I144-P147 WeakPolarHBondContact O-CG 3.44Å
145Y40.6Very low36.9Very low9 Ų945.8 Ų45.84%0.03524%0.242CC..Hα-helixtrans-94.9-22.6177.7-83.5-69.8000112.9L18 E19 I22 L141 Q143 P147 Y148 I149L18-Y145 HydrophobicContact CD2-CE2 4.45Å; E19-Y145 WeakPolarHBondContact CA-OH 3.44Å; E19-Y145 WeakPolarHBondContact CB-OH 3.26Å; E19-Y145 WeakPolarHBondContact CG-OH 3.35Å; E19-Y145 PolarHBondContact N-OH 2.81Å; I22-Y145 HydrophobicContact CB-CE1 4.28Å; I22-Y145 HydrophobicContact CD1-CD1 3.27Å; I22-Y145 HydrophobicContact CD1-CE1 3.3Å; I22-Y145 HydrophobicContact CD1-CG 4.2Å; I22-Y145 HydrophobicContact CG1-CE1 4.35Å; I22-Y145 HydrophobicContact CG2-CD1 4.32Å; I22-Y145 HydrophobicContact CG2-CE1 4.25Å; L141-Y145 HydrophobicContact CB-CD2 4.34Å; L141-Y145 HydrophobicContact CD2-CE2 4.29Å; L141-Y145 WeakPolarHBondContact O-CB 3.21Å; L141-Y145 WeakPolarHBondContact O-CD2 3.37Å; L141-Y145 PolarHBondContact O-N 3.46Å; Q143-Y145 VanDerWaalsContact C-N 3.34Å; Y145-P147 VanDerWaalsContact C-CD 3.4Å; Y145-P147 VanDerWaalsContact C-N 3.26Å; Y145-Y148 AromaticContact CD1-CD2 3.83Å; Y145-Y148 HydrophobicContact CD1-CD2 3.83Å; Y145-Y148 HydrophobicContact CD1-CG 4.3Å; Y145-Y148 HydrophobicContact CE1-CD2 4.22Å; Y145-Y148 WeakPolarHBondContact O-CA 3.29Å; Y145-Y148 WeakPolarHBondContact O-CB 3.49Å; Y145-Y148 PolarHBondContact O-N 3.27Å; Y145-I149 WeakPolarHBondContact O-CD1 3.45Å; Y145-I149 VanDerWaalsContact O-CG1 3.27Å; Y145-I149 WeakPolarHBondContact O-CG1 3.49Å; Y145-I149 PolarHBondContact O-N 3.43Å
146K41.3Very low36.7Very low81 Ų8145.6 Ų45.635%0.35224%0.242SC..Hα-helixtrans-41.2-50.6165.4-107.8-178.7177-179.70112.3L142 Q143 Y148 I149 Y150 P165L142-K146 WeakPolarHBondContact O-CB 3.36Å; L142-K146 WeakPolarHBondContact O-CG 3.27Å; L142-K146 PolarHBondContact O-N 2.97Å; Q143-K146 WeakPolarHBondContact O-CB 3.32Å; K146-Y148 PolarHBondContact O-N 3.34Å; K146-I149 PolarHBondContact O-N 2.99Å; K146-Y150 HydrophobicContact CG-CE2 4.45Å; K146-Y150 WeakPolarHBondContact O-CD2 3.43Å; K146-Y150 PolarHBondContact O-N 3.34Å; K146-P165 HydrophobicContact CG-CB 4.45Å; K146-P165 HydrophobicContact CG-CG 4.06Å
147P36.9Very low36.4Very low4 Ų448.8 Ų48.83%0.02626%0.255CS..Hα-helixtrans-57.9-45.717622.1-35.9000112.9M94 Q143 I144 Y145 I149 Y150 I151M94-P147 HydrophobicContact CE-CB 3.44Å; M94-P147 VanDerWaalsContact CE-CB 3.44Å; M94-P147 HydrophobicContact CG-CB 3.32Å; M94-P147 VanDerWaalsContact SD-CA 3.51Å; M94-P147 HydrophobicContact SD-CB 3.36Å; M94-P147 WeakPolarHBondContact SD-CB 3.38Å; Q143-P147 WeakPolarHBondContact O-CD 3.28Å; I144-P147 VanDerWaalsContact C-CD 3.47Å; I144-P147 WeakPolarHBondContact O-CD 3.37Å; I144-P147 WeakPolarHBondContact O-CG 3.44Å; Y145-P147 VanDerWaalsContact C-CD 3.4Å; Y145-P147 VanDerWaalsContact C-N 3.26Å; P147-I149 VanDerWaalsContact C-N 3.3Å; P147-I149 PolarHBondContact O-N 3.38Å; P147-Y150 PolarHBondContact O-N 2.88Å; P147-I151 WeakPolarHBondContact O-CG1 3.38Å; P147-I151 PolarHBondContact O-N 2.92Å
148Y36.8Very low35.9Very low19 Ų1950.7 Ų50.78%0.07527%0.267CS..Hα-helixtrans-59.9-42.1176.6-83.6-76000112.2I22 L26 C86 A90 Y145 K146 Y150 I151 S152I22-Y148 VanDerWaalsContact CG2-CB 3.48Å; I22-Y148 HydrophobicContact CG2-CD1 3.26Å; I22-Y148 HydrophobicContact CG2-CD2 4.2Å; I22-Y148 HydrophobicContact CG2-CE1 3.98Å; I22-Y148 HydrophobicContact CG2-CG 3.4Å; L26-Y148 HydrophobicContact CD1-CD1 3.81Å; L26-Y148 HydrophobicContact CD1-CE1 4.11Å; C86-Y148 PolarHBondContact SG-OH 3.42Å; C86-Y148 VanDerWaalsContact SG-OH 3.37Å; A90-Y148 HydrophobicContact CB-CD2 3.9Å; A90-Y148 HydrophobicContact CB-CE1 4.44Å; A90-Y148 HydrophobicContact CB-CE2 3.19Å; Y145-Y148 AromaticContact CD1-CD2 3.83Å; Y145-Y148 HydrophobicContact CD1-CD2 3.83Å; Y145-Y148 HydrophobicContact CD1-CG 4.3Å; Y145-Y148 HydrophobicContact CE1-CD2 4.22Å; Y145-Y148 WeakPolarHBondContact O-CA 3.29Å; Y145-Y148 WeakPolarHBondContact O-CB 3.49Å; Y145-Y148 PolarHBondContact O-N 3.27Å; K146-Y148 PolarHBondContact O-N 3.34Å; Y148-Y150 VanDerWaalsContact C-N 3.35Å; Y148-I151 PolarHBondContact O-N 3.21Å; Y148-S152 WeakPolarHBondContact O-CB 3.23Å; Y148-S152 PolarHBondContact O-N 3.24Å
149I40.6Very low35.6Very low3 Ų355.5 Ų55.52%0.01529%0.292CS..Hα-helixtrans-68.4-38179.4-59.9157000110.1Y145 K146 P147 S152 L153 P165 F168 I169Y145-I149 WeakPolarHBondContact O-CD1 3.45Å; Y145-I149 VanDerWaalsContact O-CG1 3.27Å; Y145-I149 WeakPolarHBondContact O-CG1 3.49Å; Y145-I149 PolarHBondContact O-N 3.43Å; K146-I149 PolarHBondContact O-N 2.99Å; P147-I149 VanDerWaalsContact C-N 3.3Å; P147-I149 PolarHBondContact O-N 3.38Å; I149-S152 PolarHBondContact O-N 2.76Å; I149-L153 HydrophobicContact CG2-CD1 3.69Å; I149-L153 HydrophobicContact CG2-CG 4.49Å; I149-L153 VanDerWaalsContact O-CB 3.27Å; I149-L153 WeakPolarHBondContact O-CB 3.19Å; I149-L153 WeakPolarHBondContact O-CD1 3.25Å; I149-L153 WeakPolarHBondContact O-CG 3.38Å; I149-L153 PolarHBondContact O-N 3.36Å; I149-P165 HydrophobicContact CB-CB 4.03Å; I149-P165 HydrophobicContact CD1-CB 3.41Å; I149-P165 VanDerWaalsContact CD1-CB 3.41Å; I149-P165 HydrophobicContact CG1-CB 4.27Å; I149-P165 HydrophobicContact CG2-CB 3.59Å; I149-F168 HydrophobicContact CG2-CB 4.01Å; I149-F168 HydrophobicContact CG2-CD1 4.33Å; I149-F168 HydrophobicContact CG2-CG 4.4Å; I149-I169 HydrophobicContact CD1-CD1 3.6Å; I149-I169 HydrophobicContact CD1-CG1 3.9Å; I149-I169 HydrophobicContact CG1-CG1 4.35Å
150Y35.9Very low35Very low93 Ų9357.8 Ų57.837%0.36530%0.3SS..Hα-helixtrans-66.9-41.3173.3-88.4-72.9000112.8K146 P147 Y148 S152 L153 M154K146-Y150 HydrophobicContact CG-CE2 4.45Å; K146-Y150 WeakPolarHBondContact O-CD2 3.43Å; K146-Y150 PolarHBondContact O-N 3.34Å; P147-Y150 PolarHBondContact O-N 2.88Å; Y148-Y150 VanDerWaalsContact C-N 3.35Å; Y150-S152 VanDerWaalsContact C-N 3.32Å; Y150-L153 CarbonylContact O-C 3.56Å; Y150-L153 PolarHBondContact O-N 2.91Å; Y150-M154 WeakPolarHBondContact O-CB 3.47Å; Y150-M154 WeakPolarHBondContact O-CG 2.99Å; Y150-M154 PolarHBondContact O-N 3.09Å
151I36.4Very low34.6Very low18 Ų1862.1 Ų62.19%0.09233%0.328CS..Hα-helixtrans-63.4-42.6174.6-65.6162.8000109.9L26 A93 M94 P147 Y148 L153 M154L26-I151 HydrophobicContact CD1-CB 4.01Å; L26-I151 HydrophobicContact CD1-CD1 4.18Å; L26-I151 HydrophobicContact CD1-CG2 3.56Å; L26-I151 HydrophobicContact CG-CG2 4.19Å; A93-I151 HydrophobicContact CB-CD1 4.22Å; M94-I151 HydrophobicContact CG-CD1 3.75Å; M94-I151 HydrophobicContact CG-CG1 4.32Å; M94-I151 HydrophobicContact SD-CD1 3.85Å; M94-I151 HydrophobicContact SD-CG1 3.75Å; P147-I151 WeakPolarHBondContact O-CG1 3.38Å; P147-I151 PolarHBondContact O-N 2.92Å; Y148-I151 PolarHBondContact O-N 3.21Å; I151-L153 VanDerWaalsContact C-N 3.31Å; I151-L153 PolarHBondContact O-N 3.39Å; I151-M154 PolarHBondContact O-N 3.33Å
152S33.8Very low34.2Very low21 Ų2164.1 Ų64.115%0.14734%0.34CS..Hα-helixtrans-67.5-30.2177.2-146.30000112.8Y148 I149 Y150 F168Y148-S152 WeakPolarHBondContact O-CB 3.23Å; Y148-S152 PolarHBondContact O-N 3.24Å; I149-S152 PolarHBondContact O-N 2.76Å; Y150-S152 VanDerWaalsContact C-N 3.32Å; S152-F168 WeakPolarHBondContact OG-CZ 3.28Å
153L35Very low34Very low46 Ų4666.5 Ų66.524%0.24136%0.362CS..Hα-helixtrans-81.7-22.1174.9-81.6160.6000113.8I149 Y150 I151 N155 V162I149-L153 HydrophobicContact CG2-CD1 3.69Å; I149-L153 HydrophobicContact CG2-CG 4.49Å; I149-L153 VanDerWaalsContact O-CB 3.27Å; I149-L153 WeakPolarHBondContact O-CB 3.19Å; I149-L153 WeakPolarHBondContact O-CD1 3.25Å; I149-L153 WeakPolarHBondContact O-CG 3.38Å; I149-L153 PolarHBondContact O-N 3.36Å; Y150-L153 CarbonylContact O-C 3.56Å; Y150-L153 PolarHBondContact O-N 2.91Å; I151-L153 VanDerWaalsContact C-N 3.31Å; I151-L153 PolarHBondContact O-N 3.39Å; L153-N155 PolarHBondContact O-N 3.47Å; L153-V162 HydrophobicContact CD1-CB 4.47Å; L153-V162 HydrophobicContact CD2-CB 3.79Å; L153-V162 HydrophobicContact CD2-CG2 3.95Å
154M32.7Very low33.5Very low66 Ų6667 Ų6733%0.32537%0.367SS..THydrogen-bonded Turntrans-74.82.5172.4-80.5-158.7-179.200113T97 A106 P107 Y150 I151T97-M154 HydrophobicContact CG2-SD 4.5Å; A106-M154 HydrophobicContact CB-CE 4.44Å; P107-M154 HydrophobicContact CG-CE 3.58Å; P107-M154 HydrophobicContact CG-SD 4.14Å; Y150-M154 WeakPolarHBondContact O-CB 3.47Å; Y150-M154 WeakPolarHBondContact O-CG 2.99Å; Y150-M154 PolarHBondContact O-N 3.09Å; I151-M154 PolarHBondContact O-N 3.33Å
155N31.5Very low33.2Very low38 Ų3866.9 Ų66.920%0.20337%0.367CS..SBendtrans-64.8130163.8-109.61.9000110.2S29 L153 F157S29-N155 WeakPolarHBondContact CA-ND2 3.41Å; S29-N155 WeakPolarHBondContact CB-ND2 3.43Å; S29-N155 PolarHBondContact O-ND2 3.35Å; S29-N155 PolarHBondContact O-OD1 2.82Å; S29-N155 PolarHBondContact OG-ND2 2.85Å; L153-N155 PolarHBondContact O-N 3.47Å; N155-F157 PolarHBondContact O-N 3.34Å
156P27.8Very low32.8Very low106 Ų10670.3 Ų70.369%0.68839%0.385SS*.THydrogen-bonded Turntrans-74.67.5-165.628.9-35.5000114.9T158P156-T158 PolarHBondContact O-N 2.98Å
157F29.7Very low32.4Very low183 Ų18370.7 Ų70.780%0.80339%0.391SS*.THydrogen-bonded Turntrans-78.4-18-173-118.9-82.7000115N155N155-F157 PolarHBondContact O-N 3.34Å
158T26.8Very low32.5Very low88 Ų8872.5 Ų72.554%0.5440%0.399SS..  trans-176104.7169.63.40000109.8P156 N160P156-T158 PolarHBondContact O-N 2.98Å; T158-N160 HydrophobicContact CG2-CB 3.84Å; T158-N160 VanDerWaalsContact CG2-ND2 3.26Å; T158-N160 WeakPolarHBondContact CG2-ND2 3.5Å; T158-N160 PolarHBondContact O-N 2.84Å
159V27.1Very low32.4Very low137 Ų13772.9 Ų72.983%0.8340%0.402SS*.  trans-72.542.6159.3-170.40000109T161V159-T161 PolarHBondContact O-N 3.28Å
160N25Very low32Very low109 Ų10975.7 Ų75.758%0.58342%0.421SS*.  trans-96.694.2175-74.8-8000107T158 V162T158-N160 HydrophobicContact CG2-CB 3.84Å; T158-N160 VanDerWaalsContact CG2-ND2 3.26Å; T158-N160 WeakPolarHBondContact CG2-ND2 3.5Å; T158-N160 PolarHBondContact O-N 2.84Å; N160-V162 PolarHBondContact O-N 3.08Å
161T29.1Very low31.9Very low128 Ų12873.9 Ų73.979%0.78542%0.422SS*.  trans6616.814058.30000119.5V159 S163V159-T161 PolarHBondContact O-N 3.28Å; T161-S163 PolarHBondContact O-N 3.09Å
162V30.8Very low31.8Very low52 Ų5276.7 Ų76.732%0.31543%0.434SS..  trans-79.269.8162.6-159.20000108.3L153 N160 N164 D167 F168L153-V162 HydrophobicContact CD1-CB 4.47Å; L153-V162 HydrophobicContact CD2-CB 3.79Å; L153-V162 HydrophobicContact CD2-CG2 3.95Å; N160-V162 PolarHBondContact O-N 3.08Å; V162-N164 VanDerWaalsContact CG1-O 3.28Å; V162-N164 WeakPolarHBondContact CG1-O 3.43Å; V162-N164 PolarHBondContact O-N 2.94Å; V162-N164 VanDerWaalsContact O-N 3.08Å; V162-D167 HydrophobicContact CG1-CB 3.76Å; V162-F168 HydrophobicContact CG1-CB 4.3Å
163S35.6Very low31.6Very low112 Ų11280.2 Ų80.278%0.78345%0.451SS*.  trans-61.8-10.1175.559.80000112.6T161T161-S163 PolarHBondContact O-N 3.09Å
164N30.3Very low31.4Very low77 Ų7786.6 Ų86.641%0.41247%0.472SS..  trans-128.8118.3-178.2-124.2-36.5000112.3V162 I166 D167V162-N164 VanDerWaalsContact CG1-O 3.28Å; V162-N164 WeakPolarHBondContact CG1-O 3.43Å; V162-N164 PolarHBondContact O-N 2.94Å; V162-N164 VanDerWaalsContact O-N 3.08Å; N164-I166 PolarHBondContact O-N 3.25Å; N164-D167 PolarHBondContact O-N 2.98Å
165P32.7Very low31.3Very low15 Ų1588.2 Ų88.210%0.09749%0.485CS..Hα-helixtrans-55.4-26.4176.316.5-28.2000113.7K146 I149 D167 F168 I169K146-P165 HydrophobicContact CG-CB 4.45Å; K146-P165 HydrophobicContact CG-CG 4.06Å; I149-P165 HydrophobicContact CB-CB 4.03Å; I149-P165 HydrophobicContact CD1-CB 3.41Å; I149-P165 VanDerWaalsContact CD1-CB 3.41Å; I149-P165 HydrophobicContact CG1-CB 4.27Å; I149-P165 HydrophobicContact CG2-CB 3.59Å; P165-D167 VanDerWaalsContact C-N 3.32Å; P165-D167 PolarHBondContact O-N 3.11Å; P165-F168 PolarHBondContact O-N 3.29Å; P165-I169 PolarHBondContact O-N 2.95Å
166I32.3Very low31.1Very low81 Ų8192.2 Ų92.242%0.41551%0.506SS..Hα-helixtrans-61.8-38175.7-59.3173.8000111.5L142 N164 F168 I169 C170L142-I166 HydrophobicContact CD1-CG1 4.49Å; L142-I166 HydrophobicContact CD2-CG1 4.1Å; N164-I166 PolarHBondContact O-N 3.25Å; I166-F168 VanDerWaalsContact C-N 3.32Å; I166-F168 PolarHBondContact O-N 3.43Å; I166-I169 PolarHBondContact O-N 3.08Å; I166-C170 WeakPolarHBondContact O-CB 3.48Å; I166-C170 PolarHBondContact O-N 3.41Å
167D33.1Very low31.1Very low88 Ų8898.8 Ų98.847%0.47152%0.517SS..Hα-helixtrans-69.1-32.4-178.5-73.6-36.4000112V162 N164 P165 S171V162-D167 HydrophobicContact CG1-CB 3.76Å; N164-D167 PolarHBondContact O-N 2.98Å; P165-D167 VanDerWaalsContact C-N 3.32Å; P165-D167 PolarHBondContact O-N 3.11Å; D167-S171 VanDerWaalsContact O-CB 3.28Å; D167-S171 WeakPolarHBondContact O-CB 3.28Å; D167-S171 PolarHBondContact O-N 3.31Å
168F39.2Very low31.2Very low42 Ų42100.8 Ų100.818%0.18453%0.529CS..Hα-helixtrans-69.1-44.7173.5-173.7-98.9000111.3I149 S152 V162 P165 I166 C170 S171 Q172I149-F168 HydrophobicContact CG2-CB 4.01Å; I149-F168 HydrophobicContact CG2-CD1 4.33Å; I149-F168 HydrophobicContact CG2-CG 4.4Å; S152-F168 WeakPolarHBondContact OG-CZ 3.28Å; V162-F168 HydrophobicContact CG1-CB 4.3Å; P165-F168 PolarHBondContact O-N 3.29Å; I166-F168 VanDerWaalsContact C-N 3.32Å; I166-F168 PolarHBondContact O-N 3.43Å; F168-C170 VanDerWaalsContact C-N 3.33Å; F168-C170 PolarHBondContact O-N 3.46Å; F168-S171 WeakPolarHBondContact O-CB 3.18Å; F168-S171 PolarHBondContact O-N 3.35Å; F168-S171 VanDerWaalsContact O-N 3.13Å; F168-Q172 HydrophobicContact CD1-CG 3.98Å; F168-Q172 HydrophobicContact CE1-CG 3.57Å; F168-Q172 HydrophobicContact CE2-CG 4.4Å; F168-Q172 HydrophobicContact CZ-CG 3.81Å; F168-Q172 WeakPolarHBondContact O-CG 3.49Å; F168-Q172 PolarHBondContact O-N 3.16Å
169I34.5Very low31.4Very low28 Ų28101.4 Ų101.414%0.14453%0.528CS..Hα-helixtrans-59.2-46.2173.8-68.6173.2000110.2L18 I149 P165 I166 S171 Q172 L173L18-I169 HydrophobicContact CD1-CG2 4.3Å; I149-I169 HydrophobicContact CD1-CD1 3.6Å; I149-I169 HydrophobicContact CD1-CG1 3.9Å; I149-I169 HydrophobicContact CG1-CG1 4.35Å; P165-I169 PolarHBondContact O-N 2.95Å; I166-I169 PolarHBondContact O-N 3.08Å; I169-S171 VanDerWaalsContact C-N 3.29Å; I169-S171 PolarHBondContact O-N 3Å; I169-Q172 PolarHBondContact O-N 3.5Å; I169-L173 HydrophobicContact CG2-CD1 3.68Å; I169-L173 WeakPolarHBondContact O-CB 3.26Å; I169-L173 PolarHBondContact O-N 2.69Å
170C33.5Very low31.7Very low61 Ų6199.5 Ų99.541%0.41251%0.512SS..Hα-helixtrans-60.8-37.3175-82.20000112.3I166 F168 R174I166-C170 WeakPolarHBondContact O-CB 3.48Å; I166-C170 PolarHBondContact O-N 3.41Å; F168-C170 VanDerWaalsContact C-N 3.33Å; F168-C170 PolarHBondContact O-N 3.46Å; C170-R174 VanDerWaalsContact O-CB 3.28Å; C170-R174 WeakPolarHBondContact O-CB 3.3Å; C170-R174 PolarHBondContact O-N 2.95Å
171S33.1Very low32Very low55 Ų5599 Ų9939%0.38551%0.508SS..Hα-helixtrans-67-44.5175173.20000111.8D167 F168 I169 R174 V175D167-S171 VanDerWaalsContact O-CB 3.28Å; D167-S171 WeakPolarHBondContact O-CB 3.28Å; D167-S171 PolarHBondContact O-N 3.31Å; F168-S171 WeakPolarHBondContact O-CB 3.18Å; F168-S171 PolarHBondContact O-N 3.35Å; F168-S171 VanDerWaalsContact O-N 3.13Å; I169-S171 VanDerWaalsContact C-N 3.29Å; I169-S171 PolarHBondContact O-N 3Å; S171-R174 PolarHBondContact O-N 2.84Å; S171-V175 WeakPolarHBondContact O-CG2 3.35Å; S171-V175 PolarHBondContact O-N 3.49Å; S171-V175 VanDerWaalsContact O-N 3.09Å
172Q33.7Very low32.2Very low77 Ų7797.3 Ų97.336%0.3649%0.492SS..Hα-helixtrans-67.4-41.3177.6-65.8-59.4-4900111.6F168 I169 R174 V175 L176F168-Q172 HydrophobicContact CD1-CG 3.98Å; F168-Q172 HydrophobicContact CE1-CG 3.57Å; F168-Q172 HydrophobicContact CE2-CG 4.4Å; F168-Q172 HydrophobicContact CZ-CG 3.81Å; F168-Q172 WeakPolarHBondContact O-CG 3.49Å; F168-Q172 PolarHBondContact O-N 3.16Å; I169-Q172 PolarHBondContact O-N 3.5Å; Q172-R174 VanDerWaalsContact C-N 3.29Å; Q172-R174 PolarHBondContact O-N 2.87Å; Q172-V175 PolarHBondContact O-N 3.11Å; Q172-L176 PolarHBondContact O-N 2.94Å; Q172-L176 VanDerWaalsContact O-N 3.1Å
173L30.7Very low32.3Very low95 Ų95100.1 Ų100.150%0.49750%0.503SS..Hα-helixtrans-61.5-36.9172.8-89.4156.8000112I169 L176 W177I169-L173 HydrophobicContact CG2-CD1 3.68Å; I169-L173 WeakPolarHBondContact O-CB 3.26Å; I169-L173 PolarHBondContact O-N 2.69Å; L173-L176 PolarHBondContact O-N 2.95Å; L173-W177 PolarHBondContact O-N 3.02Å
174R29.1Very low32.1Very low181 Ų18199.3 Ų99.368%0.68348%0.484SS*.Hα-helixtrans-67.4-37.8176.4-171.3-178.6-62.1173.61.4112.4C170 S171 Q172 L176 W177C170-R174 VanDerWaalsContact O-CB 3.28Å; C170-R174 WeakPolarHBondContact O-CB 3.3Å; C170-R174 PolarHBondContact O-N 2.95Å; S171-R174 PolarHBondContact O-N 2.84Å; Q172-R174 VanDerWaalsContact C-N 3.29Å; Q172-R174 PolarHBondContact O-N 2.87Å; R174-L176 VanDerWaalsContact C-N 3.28Å; R174-W177 PolarHBondContact O-N 3.44Å
175V32.6Very low32.2Very low99 Ų99100.9 Ų100.960%0.649%0.489SS*.Hα-helixtrans-67.8-31.5175.5176.20000111.2S171 Q172 W177S171-V175 WeakPolarHBondContact O-CG2 3.35Å; S171-V175 PolarHBondContact O-N 3.49Å; S171-V175 VanDerWaalsContact O-N 3.09Å; Q172-V175 PolarHBondContact O-N 3.11Å; V175-W177 VanDerWaalsContact C-N 3.3Å; V175-W177 PolarHBondContact O-N 3.48Å
176L27.2Very low32.2Very low122 Ų122107.5 Ų107.564%0.63952%0.52SS*.Hα-helixtrans-78-12.9178-123.4125.1000113.9Q172 L173 R174Q172-L176 PolarHBondContact O-N 2.94Å; Q172-L176 VanDerWaalsContact O-N 3.1Å; L173-L176 PolarHBondContact O-N 2.95Å; R174-L176 VanDerWaalsContact C-N 3.28Å
177W27.6Very low32.1Very low244 Ų244109.8 Ų109.892%0.92453%0.528SS*.THydrogen-bonded Turntrans-110.27.1-176-142.521000114.5L173 R174 V175L173-W177 PolarHBondContact O-N 3.02Å; R174-W177 PolarHBondContact O-N 3.44Å; V175-W177 VanDerWaalsContact C-N 3.3Å; V175-W177 PolarHBondContact O-N 3.48Å
178H31.5Very low32.1Very low225 Ų225111.7 Ų111.7100%1.04253%0.534SS*.  trans-116.90169.9-100.1-66000110.5

Retrieved 178 of 178 residues in 51 ms (Link to these results)

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