A0A5K4F6K8_SCHMA Loading...

DUF4368 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 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
1M38.6Very low48Very low220 Ų22088.8 Ų88.8100%1.08443%0.427SS*.  08.10-70.5179.89600115H3M1-H3 PolarHBondContact O-N 2.87Å
2K39.3Very low48.6Very low183 Ų18382.1 Ų82.180%0.79640%0.395SS*.THydrogen-bonded Turntrans-87.2-2.6-166.7-74.4-179.6175.6177.10117.2
3H51.5Low49Very low120 Ų12080.1 Ų80.156%0.55639%0.387SS*.THydrogen-bonded Turntrans-121.88.6-180-57.6-64.4000113.9M1 L5 F7M1-H3 PolarHBondContact O-N 2.87Å; H3-L5 VanDerWaalsContact C-N 3.35Å; H3-L5 PolarHBondContact O-N 3.44Å; H3-F7 WeakPolarHBondContact O-CB 3.46Å; H3-F7 PolarHBondContact O-N 3.19Å
4L43.5Very low49.2Very low102 Ų10276.1 Ų76.153%0.53437%0.368SS..Hα-helixtrans-65.2-40.3-174-160.771.5000111.1F7 H8L4-F7 WeakPolarHBondContact O-CB 3.36Å; L4-F7 PolarHBondContact O-N 3.16Å; L4-H8 PolarHBondContact O-N 3.02Å; L4-H8 PolarHBondContact O-ND1 3.47Å
5L45.3Very low49.2Very low38 Ų3877.3 Ų77.320%0.19938%0.377CS..Hα-helixtrans-67.8-49.3-179.517957.3000113.2H3 F7 H8 L9 V93 L148H3-L5 VanDerWaalsContact C-N 3.35Å; H3-L5 PolarHBondContact O-N 3.44Å; L5-F7 PolarHBondContact O-N 3.38Å; L5-H8 PolarHBondContact O-N 3.36Å; L5-L9 HydrophobicContact CD1-CD1 3.98Å; L5-L9 HydrophobicContact CG-CD1 4.03Å; L5-L9 PolarHBondContact O-N 3.31Å; L5-V93 HydrophobicContact CD2-CG2 4.03Å; L5-L148 HydrophobicContact CD1-CD1 3.04Å; L5-L148 HydrophobicContact CD1-CD2 4.05Å; L5-L148 HydrophobicContact CD1-CG 4.13Å; L5-L148 HydrophobicContact CD2-CB 4.28Å; L5-L148 HydrophobicContact CD2-CD1 3.65Å; L5-L148 HydrophobicContact CD2-CD2 4.1Å; L5-L148 HydrophobicContact CD2-CG 4.24Å; L5-L148 HydrophobicContact CG-CD1 3.92Å
6L50.9Low49.3Very low20 Ų2073.8 Ų73.811%0.10536%0.36CS..Hα-helixtrans-62.4-33.8175.7-84.7143.6000111.2L9 N10 L96 V178 N182L6-L9 PolarHBondContact O-N 3.11Å; L6-N10 WeakPolarHBondContact O-CB 3.03Å; L6-N10 PolarHBondContact O-N 3.46Å; L6-N10 PolarHBondContact O-ND2 3.18Å; L6-N10 VanDerWaalsContact O-ND2 3.09Å; L6-L96 HydrophobicContact CD2-CD1 4.39Å; L6-V178 HydrophobicContact CD1-CG1 3.96Å; L6-N182 HydrophobicContact CD2-CB 4.11Å; L6-N182 WeakPolarHBondContact CD2-ND2 3.4Å
7F51.1Low49.1Very low110 Ų11076.2 Ų76.248%0.48236%0.364SS..Hα-helixtrans-62.3-48171.1177.4-94.4000112.5H3 L4 L5 L9 N10 V11H3-F7 WeakPolarHBondContact O-CB 3.46Å; H3-F7 PolarHBondContact O-N 3.19Å; L4-F7 WeakPolarHBondContact O-CB 3.36Å; L4-F7 PolarHBondContact O-N 3.16Å; L5-F7 PolarHBondContact O-N 3.38Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.12Å; F7-N10 PolarHBondContact O-N 3.01Å; F7-V11 HydrophobicContact CD1-CG2 4.27Å; F7-V11 HydrophobicContact CE1-CG2 3.95Å; F7-V11 HydrophobicContact CE2-CG2 4.39Å; F7-V11 HydrophobicContact CZ-CG2 4.02Å; F7-V11 WeakPolarHBondContact O-CB 3.48Å; F7-V11 VanDerWaalsContact O-CG2 3.25Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 2.74Å
8H49.4Very low48.7Very low102 Ų10276 Ų7647%0.47238%0.377SS..Hα-helixtrans-63.7-37.9178.5-75.376.1000111.8L4 L5 V11 L12L4-H8 PolarHBondContact O-N 3.02Å; L4-H8 PolarHBondContact O-ND1 3.47Å; L5-H8 PolarHBondContact O-N 3.36Å; H8-V11 WeakPolarHBondContact O-CB 3.39Å; H8-V11 PolarHBondContact O-N 2.73Å; H8-L12 PolarHBondContact O-N 3.23Å
9L52.7Low48.1Very low18 Ų1875.8 Ų75.89%0.09438%0.384CS..Hα-helixtrans-71.7-37.3177.1-79.3160.7000113.5L5 L6 F7 V11 L12 L13 L96 F145L5-L9 HydrophobicContact CD1-CD1 3.98Å; L5-L9 HydrophobicContact CG-CD1 4.03Å; L5-L9 PolarHBondContact O-N 3.31Å; L6-L9 PolarHBondContact O-N 3.11Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 3.12Å; L9-V11 VanDerWaalsContact C-N 3.32Å; L9-L12 VanDerWaalsContact O-CB 3.27Å; L9-L12 WeakPolarHBondContact O-CB 3.41Å; L9-L12 PolarHBondContact O-N 2.69Å; L9-L12 VanDerWaalsContact O-N 3.17Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-L96 HydrophobicContact CD1-CB 4.2Å; L9-L96 HydrophobicContact CD1-CD1 3.69Å; L9-L96 HydrophobicContact CD1-CG 4.36Å; L9-F145 HydrophobicContact CD1-CE1 3.61Å; L9-F145 HydrophobicContact CD1-CZ 4.09Å; L9-F145 HydrophobicContact CD2-CE1 3.67Å; L9-F145 HydrophobicContact CD2-CE2 4.08Å; L9-F145 HydrophobicContact CD2-CZ 3.22Å; L9-F145 HydrophobicContact CG-CE1 4.25Å; L9-F145 HydrophobicContact CG-CZ 4.27Å
10N53.1Low47.6Very low20 Ų2075.1 Ų75.111%0.10738%0.384CS..Hα-helixtrans-65.6-36.7171.1-77.8-23.4000111.8L6 F7 L12 L13 L14 N182 V186L6-N10 WeakPolarHBondContact O-CB 3.03Å; L6-N10 PolarHBondContact O-N 3.46Å; L6-N10 PolarHBondContact O-ND2 3.18Å; L6-N10 VanDerWaalsContact O-ND2 3.09Å; F7-N10 PolarHBondContact O-N 3.01Å; N10-L12 VanDerWaalsContact C-N 3.32Å; N10-L13 PolarHBondContact O-N 3.25Å; N10-L14 VanDerWaalsContact O-CB 3.3Å; N10-L14 WeakPolarHBondContact O-CB 3.47Å; N10-L14 WeakPolarHBondContact O-CD1 3.26Å; N10-L14 VanDerWaalsContact O-CG 3.31Å; N10-L14 WeakPolarHBondContact O-CG 2.95Å; N10-L14 PolarHBondContact O-N 3.42Å; N10-N182 PolarHBondContact ND2-OD1 2.75Å; N10-V186 HydrophobicContact CB-CG2 3.35Å; N10-V186 WeakPolarHBondContact OD1-CG2 3.38Å
11V53.1Low47.1Very low44 Ų4479.4 Ų79.427%0.26740%0.402SS..Hα-helixtrans-64-39.4170.8168.20000110.1F7 H8 L9 L14 L15F7-V11 HydrophobicContact CD1-CG2 4.27Å; F7-V11 HydrophobicContact CE1-CG2 3.95Å; F7-V11 HydrophobicContact CE2-CG2 4.39Å; F7-V11 HydrophobicContact CZ-CG2 4.02Å; F7-V11 WeakPolarHBondContact O-CB 3.48Å; F7-V11 VanDerWaalsContact O-CG2 3.25Å; F7-V11 WeakPolarHBondContact O-CG2 3.45Å; F7-V11 PolarHBondContact O-N 2.74Å; H8-V11 WeakPolarHBondContact O-CB 3.39Å; H8-V11 PolarHBondContact O-N 2.73Å; L9-V11 VanDerWaalsContact C-N 3.32Å; V11-L14 PolarHBondContact O-N 3.01Å; V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.2Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 3.33Å
12L54.4Low47.1Very low8 Ų870.8 Ų70.84%0.04236%0.362CS..Hα-helixtrans-61.4-48.8173.1-116.289.7000113.5H8 L9 N10 L14 L15 L16 F100 H141H8-L12 PolarHBondContact O-N 3.23Å; L9-L12 VanDerWaalsContact O-CB 3.27Å; L9-L12 WeakPolarHBondContact O-CB 3.41Å; L9-L12 PolarHBondContact O-N 2.69Å; L9-L12 VanDerWaalsContact O-N 3.17Å; N10-L12 VanDerWaalsContact C-N 3.32Å; L12-L14 VanDerWaalsContact C-N 3.27Å; L12-L14 PolarHBondContact O-N 2.96Å; L12-L15 CarbonylContact O-C 3.58Å; L12-L15 PolarHBondContact O-N 3.18Å; L12-L15 VanDerWaalsContact O-N 3.15Å; L12-L16 WeakPolarHBondContact O-CB 3.13Å; L12-L16 PolarHBondContact O-N 3.18Å; L12-F100 HydrophobicContact CD2-CD2 4.04Å; L12-F100 HydrophobicContact CD2-CE2 3.36Å; L12-F100 HydrophobicContact CD2-CZ 4Å; L12-H141 HydrophobicContact CD1-CB 4.34Å; L12-H141 WeakPolarHBondContact CD1-CD2 3.26Å; L12-H141 WeakPolarHBondContact CD1-CE1 3.44Å; L12-H141 VanDerWaalsContact CD1-ND1 3.29Å; L12-H141 WeakPolarHBondContact CD1-ND1 3.47Å; L12-H141 WeakPolarHBondContact CD1-NE2 3.13Å; L12-H141 HydrophobicContact CD2-CB 3.7Å; L12-H141 WeakPolarHBondContact CD2-CD2 3.28Å; L12-H141 VanDerWaalsContact CD2-CG 3.49Å
13L54.4Low46.9Very low56 Ų5668.3 Ų68.329%0.29336%0.357SS..Hα-helixtrans-64.9-35.1178.9-75.1166.1000111.2L9 N10 R17L9-L13 PolarHBondContact O-N 2.98Å; N10-L13 PolarHBondContact O-N 3.25Å; L13-R17 WeakPolarHBondContact O-CB 3.49Å; L13-R17 VanDerWaalsContact O-CG 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.32Å; L13-R17 PolarHBondContact O-N 2.98Å
14L51.4Low46.1Very low24 Ų2464.5 Ų64.513%0.12635%0.35CS..Hα-helixtrans-66.2-42.1170.6-81.7161.7000111.8N10 V11 L12 R17 A18 V186 F190N10-L14 VanDerWaalsContact O-CB 3.3Å; N10-L14 WeakPolarHBondContact O-CB 3.47Å; N10-L14 WeakPolarHBondContact O-CD1 3.26Å; N10-L14 VanDerWaalsContact O-CG 3.31Å; N10-L14 WeakPolarHBondContact O-CG 2.95Å; N10-L14 PolarHBondContact O-N 3.42Å; V11-L14 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact C-N 3.27Å; L12-L14 PolarHBondContact O-N 2.96Å; L14-R17 PolarHBondContact O-N 3.29Å; L14-A18 WeakPolarHBondContact O-CB 3.11Å; L14-A18 PolarHBondContact O-N 3.34Å; L14-V186 HydrophobicContact CD2-CG1 4.19Å; L14-V186 HydrophobicContact CG-CG1 3.99Å; L14-F190 HydrophobicContact CD2-CB 4.38Å
15L50.2Low45.6Very low95 Ų9565 Ų6550%0.49737%0.369SS..Hα-helixtrans-67-42.8177.3-74.7169.1000111V11 L12 A18 S19V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.2Å; V11-L15 WeakPolarHBondContact O-CB 3.39Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 3.33Å; L12-L15 CarbonylContact O-C 3.58Å; L12-L15 PolarHBondContact O-N 3.18Å; L12-L15 VanDerWaalsContact O-N 3.15Å; L15-A18 CarbonylContact O-C 3.59Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-S19 VanDerWaalsContact O-CB 3.25Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3Å; L15-S19 PolarHBondContact O-OG 2.91Å
16L49.3Very low45.1Very low20 Ų2071.3 Ų71.311%0.10540%0.398CS..Hα-helixtrans-59.4-44.6172.3-89.7151.1000111.7L12 S19 F100 I107 L134L12-L16 WeakPolarHBondContact O-CB 3.13Å; L12-L16 PolarHBondContact O-N 3.18Å; L16-S19 WeakPolarHBondContact CA-OG 3.49Å; L16-S19 PolarHBondContact O-OG 3.09Å; L16-F100 HydrophobicContact CD1-CE2 4.07Å; L16-I107 HydrophobicContact CD2-CD1 3.5Å; L16-L134 HydrophobicContact CD2-CD1 3.69Å; L16-L134 HydrophobicContact CG-CD1 4.37Å
17R46.2Very low44.5Very low116 Ų11676.2 Ų76.244%0.43842%0.42SS..Hα-helixtrans-71.3-31.7175.9-74.6179.7179-175.40.8113.4L13 L14L13-R17 WeakPolarHBondContact O-CB 3.49Å; L13-R17 VanDerWaalsContact O-CG 3.28Å; L13-R17 WeakPolarHBondContact O-CG 3.32Å; L13-R17 PolarHBondContact O-N 2.98Å; L14-R17 PolarHBondContact O-N 3.29Å
18A41.9Very low44Very low72 Ų7279.5 Ų79.560%0.59544%0.437SS*.Hα-helixtrans-82.4-22178.400000113.2L14 L15 V20L14-A18 WeakPolarHBondContact O-CB 3.11Å; L14-A18 PolarHBondContact O-N 3.34Å; L15-A18 CarbonylContact O-C 3.59Å; L15-A18 PolarHBondContact O-N 2.81Å; A18-V20 VanDerWaalsContact C-N 3.31Å
19S36.8Very low43.9Very low73 Ų7378.1 Ų78.151%0.5144%0.444SS..SBendtrans-84-6.2176.244.60000113.3L15 L16 Q21L15-S19 VanDerWaalsContact O-CB 3.25Å; L15-S19 WeakPolarHBondContact O-CB 3.47Å; L15-S19 PolarHBondContact O-N 3Å; L15-S19 PolarHBondContact O-OG 2.91Å; L16-S19 WeakPolarHBondContact CA-OG 3.49Å; L16-S19 PolarHBondContact O-OG 3.09Å; S19-Q21 VanDerWaalsContact C-N 3.28Å; S19-Q21 PolarHBondContact O-N 3.2Å
20V38.2Very low43.8Very low61 Ų6182.2 Ų82.237%0.3746%0.458SS..  trans-75.185.4159.5-1760000108.1A18 V22 I126 V128A18-V20 VanDerWaalsContact C-N 3.31Å; V20-V22 HydrophobicContact CG1-CG2 3.94Å; V20-V22 PolarHBondContact O-N 3.32Å; V20-I126 HydrophobicContact CG1-CG2 4.08Å; V20-V128 HydrophobicContact CG1-CG2 4.2Å
21Q38.4Very low44.3Very low165 Ų16584.5 Ų84.577%0.77148%0.476SS*.  trans-70.5107.5163.8-84.7179.9-33.600108.3S19 D23S19-Q21 VanDerWaalsContact C-N 3.28Å; S19-Q21 PolarHBondContact O-N 3.2Å; Q21-D23 PolarHBondContact O-N 3.41Å
22V37.4Very low45.1Very low40 Ų4084.6 Ų84.624%0.24248%0.475CS..  trans-8692.7175.9-177.30000108.8V20 G24 Q27 I126V20-V22 HydrophobicContact CG1-CG2 3.94Å; V20-V22 PolarHBondContact O-N 3.32Å; V22-G24 PolarHBondContact O-N 3.47Å; V22-Q27 HydrophobicContact CG1-CG 4.13Å; V22-I126 HydrophobicContact CB-CG2 4.06Å; V22-I126 HydrophobicContact CG1-CB 4.1Å; V22-I126 HydrophobicContact CG1-CD1 4.04Å; V22-I126 HydrophobicContact CG1-CG1 3.62Å; V22-I126 HydrophobicContact CG1-CG2 3.84Å; V22-I126 HydrophobicContact CG2-CD1 3.89Å; V22-I126 HydrophobicContact CG2-CG1 4.27Å; V22-I126 HydrophobicContact CG2-CG2 3.65Å
23D35.9Very low46.1Very low130 Ų13090.1 Ų90.170%0.69551%0.505SS*.BIsolated β-bridgetrans-83.2102.7162.9-88.4-24.5000108.6Q21Q21-D23 PolarHBondContact O-N 3.41Å
24G35.3Very low46.9Very low40 Ų4090.2 Ų90.241%0.41251%0.505SS..SBendtrans165.2125.2177.400000114V22 E26V22-G24 PolarHBondContact O-N 3.47Å; G24-E26 VanDerWaalsContact C-N 3.28Å; G24-E26 PolarHBondContact O-N 3.2Å
25A32.6Very low47.7Very low113 Ų11389.1 Ų89.193%0.93450%0.5SS*.SBendtrans-74.219.6-162.300000117.9
26E35Very low48.9Very low170 Ų17090.3 Ų90.379%0.79450%0.501SS*.  trans-14147.5-177.2-71.2-170.4160.100113G24 Q28G24-E26 VanDerWaalsContact C-N 3.28Å; G24-E26 PolarHBondContact O-N 3.2Å; E26-Q28 PolarHBondContact O-N 3.2Å; E26-Q28 VanDerWaalsContact O-N 3.12Å
27Q38.1Very low50.6Low123 Ų12391 Ų9158%0.57551%0.512SS*.  trans-58.7124.5158.8-73.3-175.4-5.900106.7V22 A29V22-Q27 HydrophobicContact CG1-CG 4.13Å; Q27-A29 PolarHBondContact O-N 2.98Å
28Q40.8Very low52.4Low179 Ų17990.2 Ų90.284%0.83651%0.509SS*.  trans-57.779.5150.6-77.4-178.9-10.900105.9E26 Y30E26-Q28 PolarHBondContact O-N 3.2Å; E26-Q28 VanDerWaalsContact O-N 3.12Å; Q28-Y30 VanDerWaalsContact C-N 3.32Å; Q28-Y30 PolarHBondContact O-N 3.23Å
29A46.1Very low54.3Low74 Ų7487.9 Ų87.961%0.61249%0.487SS*.  trans-57.4107.1171.500000102.8Q27 S31Q27-A29 PolarHBondContact O-N 2.98Å; A29-S31 PolarHBondContact O-N 3.09Å
30Y51.7Low56.8Low103 Ų10391.1 Ų91.140%0.40449%0.492SS..  trans-43.1116166.9-70.7-63.4000105.3Q28 L32 D34 I35 R38Q28-Y30 VanDerWaalsContact C-N 3.32Å; Q28-Y30 PolarHBondContact O-N 3.23Å; Y30-L32 PolarHBondContact O-N 3.24Å; Y30-D34 WeakPolarHBondContact CD1-OD2 3.25Å; Y30-I35 HydrophobicContact CG-CG1 4.41Å; Y30-I35 WeakPolarHBondContact O-CD1 3.28Å; Y30-R38 PolarHBondContact OH-NH1 3.3Å
31S64Low59.3Low69 Ų6992.2 Ų92.248%0.48350%0.495SS..  trans-51.8147.4-179.969.60000107A29 N33 D34 I35A29-S31 PolarHBondContact O-N 3.09Å; S31-N33 CarbonylContact O-C 3.56Å; S31-N33 PolarHBondContact O-N 3.47Å; S31-D34 WeakPolarHBondContact O-CA 3.29Å; S31-D34 WeakPolarHBondContact O-CB 3.4Å; S31-D34 PolarHBondContact O-N 3.4Å; S31-D34 PolarHBondContact OG-N 2.89Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-I35 PolarHBondContact O-N 3.31Å
32L69.8Low61.5Low46 Ų4685 Ų8524%0.24146%0.462CS..Hα-helixtrans-52.6-29.8180-174.665.4000111.3Y30 K36 A195 V198Y30-L32 PolarHBondContact O-N 3.24Å; L32-K36 HydrophobicContact CG-CD 4.38Å; L32-K36 WeakPolarHBondContact O-CB 3.35Å; L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 3.23Å; L32-A195 HydrophobicContact CD1-CB 4.4Å; L32-V198 HydrophobicContact CD1-CG1 4.47Å
33N74.4Confident63.9Low124 Ų12489.6 Ų89.666%0.66348%0.475SS*.Hα-helixtrans-66.8-42.9172.5-69-18.3000113.5S31 K36 G37S31-N33 CarbonylContact O-C 3.56Å; S31-N33 PolarHBondContact O-N 3.47Å; N33-K36 PolarHBondContact O-N 2.86Å; N33-G37 PolarHBondContact O-N 3.42Å
34D72.2Confident66.7Low58 Ų5887.3 Ų87.331%0.3146%0.462SS..Hα-helixtrans-64.1-44.6173.7-178.279.9000111.5Y30 S31 K36 G37 R38Y30-D34 WeakPolarHBondContact CD1-OD2 3.25Å; S31-D34 WeakPolarHBondContact O-CA 3.29Å; S31-D34 WeakPolarHBondContact O-CB 3.4Å; S31-D34 PolarHBondContact O-N 3.4Å; S31-D34 PolarHBondContact OG-N 2.89Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; D34-K36 VanDerWaalsContact C-N 3.34Å; D34-K36 PolarHBondContact O-N 2.92Å; D34-G37 PolarHBondContact O-N 3.48Å; D34-G37 VanDerWaalsContact O-N 3.16Å; D34-R38 WeakPolarHBondContact O-CG 3.22Å; D34-R38 PolarHBondContact O-N 3.36Å; D34-R38 IonicContact OD1-NE 2.61Å; D34-R38 WeakPolarHBondContact OD2-CD 3.24Å; D34-R38 IonicContact OD2-CZ 3.81Å; D34-R38 IonicContact OD2-NE 3.95Å; D34-R38 PolarHBondContact OD2-NE 3.38Å; D34-R38 IonicContact OD2-NH2 2.67Å
35I66.8Low69.3Low1 Ų191.1 Ų91.11%0.00547%0.465CS..Hα-helixtrans-58.8-46.6175.3-60.4178.6000110.5Y30 S31 G37 R38 L39 L191 I194 A195Y30-I35 HydrophobicContact CG-CG1 4.41Å; Y30-I35 WeakPolarHBondContact O-CD1 3.28Å; S31-I35 PolarHBondContact O-N 3.31Å; I35-G37 VanDerWaalsContact C-N 3.34Å; I35-G37 PolarHBondContact O-N 3.22Å; I35-R38 PolarHBondContact O-N 2.83Å; I35-L39 HydrophobicContact CG2-CD1 3.89Å; I35-L39 HydrophobicContact CG2-CG 4.25Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 VanDerWaalsContact O-CG 3.3Å; I35-L39 WeakPolarHBondContact O-CG 3.4Å; I35-L39 PolarHBondContact O-N 3.05Å; I35-L191 HydrophobicContact CG2-CB 4.2Å; I35-L191 HydrophobicContact CG2-CD2 4.5Å; I35-I194 HydrophobicContact CD1-CB 4.29Å; I35-I194 HydrophobicContact CD1-CG2 3.49Å; I35-I194 VanDerWaalsContact CD1-CG2 3.49Å; I35-A195 HydrophobicContact CG2-CB 4.1Å
36K76.7Confident72Confident119 Ų11986.8 Ų86.852%0.51743%0.426SS..Hα-helixtrans-59.9-43176.4-78.1171.8179.21760111.9L32 N33 D34 L39 K40L32-K36 HydrophobicContact CG-CD 4.38Å; L32-K36 WeakPolarHBondContact O-CB 3.35Å; L32-K36 WeakPolarHBondContact O-CG 3.46Å; L32-K36 PolarHBondContact O-N 3.23Å; N33-K36 PolarHBondContact O-N 2.86Å; D34-K36 VanDerWaalsContact C-N 3.34Å; D34-K36 PolarHBondContact O-N 2.92Å; K36-L39 PolarHBondContact O-N 3.47Å; K36-K40 PolarHBondContact O-N 2.88Å
37G85Confident74.7Confident34 Ų3484.5 Ų84.535%0.35141%0.413SS..Hα-helixtrans-59.9-48.5175.600000112.2N33 D34 I35 L39 K40 I41N33-G37 PolarHBondContact O-N 3.42Å; D34-G37 PolarHBondContact O-N 3.48Å; D34-G37 VanDerWaalsContact O-N 3.16Å; I35-G37 VanDerWaalsContact C-N 3.34Å; I35-G37 PolarHBondContact O-N 3.22Å; G37-L39 PolarHBondContact O-N 2.97Å; G37-K40 WeakPolarHBondContact O-CB 3.19Å; G37-K40 PolarHBondContact O-N 2.97Å; G37-I41 WeakPolarHBondContact O-CG1 3.4Å; G37-I41 PolarHBondContact O-N 2.99Å; G37-I41 VanDerWaalsContact O-N 3.1Å
38R82.9Confident77.4Confident100 Ų10084.6 Ų84.638%0.37741%0.412SS..Hα-helixtrans-62.9-41.7176.6-69.9177.1-176.6-115-8.9112.7Y30 D34 I35 K40 I41 L42 L191Y30-R38 PolarHBondContact OH-NH1 3.3Å; D34-R38 WeakPolarHBondContact O-CG 3.22Å; D34-R38 PolarHBondContact O-N 3.36Å; D34-R38 IonicContact OD1-NE 2.61Å; D34-R38 WeakPolarHBondContact OD2-CD 3.24Å; D34-R38 IonicContact OD2-CZ 3.81Å; D34-R38 IonicContact OD2-NE 3.95Å; D34-R38 PolarHBondContact OD2-NE 3.38Å; D34-R38 IonicContact OD2-NH2 2.67Å; I35-R38 PolarHBondContact O-N 2.83Å; R38-K40 VanDerWaalsContact C-N 3.31Å; R38-K40 PolarHBondContact O-N 3.14Å; R38-I41 PolarHBondContact O-N 3.29Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 WeakPolarHBondContact O-CG 3.33Å; R38-L42 PolarHBondContact O-N 2.94Å; R38-L191 HydrophobicContact CB-CD1 3.74Å
39L82.4Confident79.7Confident23 Ų2376.6 Ų76.612%0.1238%0.375CS..Hα-helixtrans-63.2-36.9176.3-76.3173.7000112.1I35 K36 G37 R43 L191 V192I35-L39 HydrophobicContact CG2-CD1 3.89Å; I35-L39 HydrophobicContact CG2-CG 4.25Å; I35-L39 WeakPolarHBondContact O-CB 3.35Å; I35-L39 VanDerWaalsContact O-CG 3.3Å; I35-L39 WeakPolarHBondContact O-CG 3.4Å; I35-L39 PolarHBondContact O-N 3.05Å; K36-L39 PolarHBondContact O-N 3.47Å; G37-L39 PolarHBondContact O-N 2.97Å; L39-R43 WeakPolarHBondContact O-CB 3.49Å; L39-R43 PolarHBondContact O-N 2.99Å; L39-L191 HydrophobicContact CD2-CB 3.69Å; L39-L191 HydrophobicContact CD2-CD1 4.41Å; L39-L191 HydrophobicContact CG-CB 4.09Å; L39-V192 HydrophobicContact CD1-CG2 4.4Å; L39-V192 HydrophobicContact CD2-CG2 3.89Å
40K90Very high81.8Confident141 Ų14176.7 Ų76.761%0.61336%0.363SS*.Hα-helixtrans-62.7-50.6173.9-173.7-177.5177-174.90111K36 G37 R38 L42 R43 D44K36-K40 PolarHBondContact O-N 2.88Å; G37-K40 WeakPolarHBondContact O-CB 3.19Å; G37-K40 PolarHBondContact O-N 2.97Å; R38-K40 VanDerWaalsContact C-N 3.31Å; R38-K40 PolarHBondContact O-N 3.14Å; K40-L42 PolarHBondContact O-N 3.48Å; K40-R43 WeakPolarHBondContact O-CB 3.38Å; K40-R43 PolarHBondContact O-N 3.48Å; K40-R43 VanDerWaalsContact O-N 3.17Å; K40-D44 PolarHBondContact O-N 3.03Å; K40-D44 VanDerWaalsContact O-N 3.14Å
41I89.9Confident83.8Confident84 Ų8476.8 Ų76.843%0.43137%0.37SS..Hα-helixtrans-59.3-46.3178-66166.8000111G37 R38 R43 D44 Y45G37-I41 WeakPolarHBondContact O-CG1 3.4Å; G37-I41 PolarHBondContact O-N 2.99Å; G37-I41 VanDerWaalsContact O-N 3.1Å; R38-I41 PolarHBondContact O-N 3.29Å; I41-R43 VanDerWaalsContact C-N 3.27Å; I41-R43 PolarHBondContact O-N 3.45Å; I41-D44 PolarHBondContact O-N 3.27Å; I41-D44 VanDerWaalsContact O-N 3.12Å; I41-Y45 HydrophobicContact CG2-CD2 3.97Å; I41-Y45 HydrophobicContact CG2-CE1 4.18Å; I41-Y45 HydrophobicContact CG2-CE2 3.42Å; I41-Y45 VanDerWaalsContact CG2-CE2 3.42Å; I41-Y45 PolarHBondContact O-N 3.03Å
42L84.1Confident85.2Confident15 Ų1575.4 Ų75.48%0.07936%0.357CS..Hα-helixtrans-61.9-35.4178.3-78.3166000112.5R38 K40 D44 Y45 L46 H184 T187 H188 L191R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 WeakPolarHBondContact O-CG 3.33Å; R38-L42 PolarHBondContact O-N 2.94Å; K40-L42 PolarHBondContact O-N 3.48Å; L42-D44 VanDerWaalsContact C-N 3.33Å; L42-Y45 PolarHBondContact O-N 2.89Å; L42-L46 WeakPolarHBondContact O-CB 3.27Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.23Å; L42-L46 PolarHBondContact O-N 3.29Å; L42-H184 HydrophobicContact CD2-CB 4.08Å; L42-T187 HydrophobicContact CD1-CG2 3.8Å; L42-T187 HydrophobicContact CD2-CG2 4.33Å; L42-H188 HydrophobicContact CD1-CB 4.44Å; L42-L191 HydrophobicContact CD1-CD1 3.61Å
43R89Confident86Confident136 Ų13674.2 Ų74.251%0.51335%0.351SS..Hα-helixtrans-64.1-41.1174.7-174.5-175.6-61.8162.30.7111.4L39 K40 I41 L46 K47L39-R43 WeakPolarHBondContact O-CB 3.49Å; L39-R43 PolarHBondContact O-N 2.99Å; K40-R43 WeakPolarHBondContact O-CB 3.38Å; K40-R43 PolarHBondContact O-N 3.48Å; K40-R43 VanDerWaalsContact O-N 3.17Å; I41-R43 VanDerWaalsContact C-N 3.27Å; I41-R43 PolarHBondContact O-N 3.45Å; R43-L46 PolarHBondContact O-N 2.91Å; R43-K47 WeakPolarHBondContact O-CG 3.5Å; R43-K47 PolarHBondContact O-N 3.44Å
44D93.1Very high86.8Confident82 Ų8274.4 Ų74.444%0.43934%0.343SS..Hα-helixtrans-67.1-40.2177.7-63.4-24.5000110.9K40 I41 L42 K47 K48K40-D44 PolarHBondContact O-N 3.03Å; K40-D44 VanDerWaalsContact O-N 3.14Å; I41-D44 PolarHBondContact O-N 3.27Å; I41-D44 VanDerWaalsContact O-N 3.12Å; L42-D44 VanDerWaalsContact C-N 3.33Å; D44-K47 PolarHBondContact O-N 2.95Å; D44-K48 WeakPolarHBondContact O-CB 3.46Å; D44-K48 PolarHBondContact O-N 2.89Å
45Y91.7Very high87.8Confident119 Ų11977.6 Ų77.647%0.46736%0.356SS..Hα-helixtrans-63.4-45.2172.2-65.9-20.4000113I41 L42 K47 K48 D49 H184I41-Y45 HydrophobicContact CG2-CD2 3.97Å; I41-Y45 HydrophobicContact CG2-CE1 4.18Å; I41-Y45 HydrophobicContact CG2-CE2 3.42Å; I41-Y45 VanDerWaalsContact CG2-CE2 3.42Å; I41-Y45 PolarHBondContact O-N 3.03Å; L42-Y45 PolarHBondContact O-N 2.89Å; Y45-K47 VanDerWaalsContact C-N 3.3Å; Y45-K47 PolarHBondContact O-N 3.47Å; Y45-K48 PolarHBondContact O-N 2.97Å; Y45-D49 WeakPolarHBondContact O-CB 3.49Å; Y45-D49 PolarHBondContact O-N 3.48Å; Y45-H184 AromaticContact CD2-NE2 3.87Å
46L88.6Confident88.9Confident22 Ų2280 Ų8012%0.11537%0.366CS..Hα-helixtrans-60-41177.6-77.1167.1000112L42 R43 Q50 Y181 H184 L185 H188L42-L46 WeakPolarHBondContact O-CB 3.27Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.23Å; L42-L46 PolarHBondContact O-N 3.29Å; R43-L46 PolarHBondContact O-N 2.91Å; L46-Q50 VanDerWaalsContact O-CB 3.27Å; L46-Q50 WeakPolarHBondContact O-CB 3.38Å; L46-Q50 PolarHBondContact O-N 2.9Å; L46-Y181 HydrophobicContact CB-CE2 4.46Å; L46-Y181 HydrophobicContact CD2-CD2 3.81Å; L46-Y181 HydrophobicContact CD2-CE2 3.68Å; L46-Y181 HydrophobicContact CD2-CG 4.44Å; L46-H184 HydrophobicContact CD2-CB 3.74Å; L46-H184 HydrophobicContact CG-CB 4Å; L46-L185 HydrophobicContact CD2-CB 4.15Å; L46-L185 HydrophobicContact CD2-CD1 4.48Å; L46-H188 HydrophobicContact CD1-CB 4.17Å
47K92Very high89.4Confident122 Ų12278.3 Ų78.353%0.5336%0.359SS..Hα-helixtrans-63.6-45.9175-75.6177.2176.7-176.80111.7R43 D44 Y45 Q50 L51R43-K47 WeakPolarHBondContact O-CG 3.5Å; R43-K47 PolarHBondContact O-N 3.44Å; D44-K47 PolarHBondContact O-N 2.95Å; Y45-K47 VanDerWaalsContact C-N 3.3Å; Y45-K47 PolarHBondContact O-N 3.47Å; K47-Q50 PolarHBondContact O-N 3.4Å; K47-L51 WeakPolarHBondContact O-CG 3.17Å; K47-L51 PolarHBondContact O-N 3.3Å
48K94.1Very high89.7Confident125 Ų12579 Ų7954%0.54336%0.362SS..Hα-helixtrans-61.2-52.9178.2-179.2178.4177.71780111.2D44 Y45 Q50 L51 D52D44-K48 WeakPolarHBondContact O-CB 3.46Å; D44-K48 PolarHBondContact O-N 2.89Å; Y45-K48 PolarHBondContact O-N 2.97Å; K48-Q50 PolarHBondContact O-N 3.25Å; K48-L51 WeakPolarHBondContact O-CB 3.27Å; K48-L51 PolarHBondContact O-N 2.87Å; K48-L51 VanDerWaalsContact O-N 3.1Å; K48-D52 PolarHBondContact O-N 3.3Å
49D89.6Confident90.1Very high12 Ų1276.7 Ų76.76%0.06436%0.355CS..Hα-helixtrans-57.3-38.5179-70.7-12.9000111.6Y45 I53 I177 Y181 H184Y45-D49 WeakPolarHBondContact O-CB 3.49Å; Y45-D49 PolarHBondContact O-N 3.48Å; D49-I53 WeakPolarHBondContact O-CB 3.39Å; D49-I53 WeakPolarHBondContact O-CD1 3.44Å; D49-I53 WeakPolarHBondContact O-CG1 3.38Å; D49-I53 PolarHBondContact O-N 2.89Å; D49-I177 HydrophobicContact CB-CG2 4.18Å; D49-I177 WeakPolarHBondContact O-CG2 3.28Å; D49-Y181 HydrophobicContact CB-CD2 3.71Å; D49-Y181 HydrophobicContact CB-CG 4.34Å; D49-Y181 VanDerWaalsContact OD2-CA 3.29Å; D49-Y181 WeakPolarHBondContact OD2-CA 3.34Å; D49-Y181 PolarHBondContact OD2-N 2.94Å; D49-H184 IonicContact OD2-CE1 3.89Å; D49-H184 PolarHBondContact OD2-CE1 3.45Å; D49-H184 IonicContact OD2-CG 2.75Å; D49-H184 IonicContact OD2-ND1 4Å; D49-H184 PolarHBondContact OD2-ND1 3.32Å
50Q90.4Very high90.3Very high76 Ų7676.5 Ų76.536%0.35535%0.354SS..Hα-helixtrans-65.5-43.7176.6-176.9178.17.800112.3L46 K47 K48 I53 Y54 Y181L46-Q50 VanDerWaalsContact O-CB 3.27Å; L46-Q50 WeakPolarHBondContact O-CB 3.38Å; L46-Q50 PolarHBondContact O-N 2.9Å; K47-Q50 PolarHBondContact O-N 3.4Å; K48-Q50 PolarHBondContact O-N 3.25Å; Q50-I53 PolarHBondContact O-N 3.19Å; Q50-Y54 HydrophobicContact CG-CD2 4.17Å; Q50-Y54 HydrophobicContact CG-CE2 3.52Å; Q50-Y54 PolarHBondContact NE2-OH 3Å; Q50-Y54 VanDerWaalsContact O-CD2 3.25Å; Q50-Y54 WeakPolarHBondContact O-CD2 3.34Å; Q50-Y54 PolarHBondContact O-N 3.01Å; Q50-Y181 HydrophobicContact CB-CE2 4.19Å
51L93.5Very high90.2Very high105 Ų10573.6 Ų73.655%0.5535%0.348SS..Hα-helixtrans-61.5-49174.8-71.7167.9000110.7K47 K48 I53 Y54 E55K47-L51 WeakPolarHBondContact O-CG 3.17Å; K47-L51 PolarHBondContact O-N 3.3Å; K48-L51 WeakPolarHBondContact O-CB 3.27Å; K48-L51 PolarHBondContact O-N 2.87Å; K48-L51 VanDerWaalsContact O-N 3.1Å; L51-I53 VanDerWaalsContact C-N 3.27Å; L51-I53 PolarHBondContact O-N 3.4Å; L51-Y54 PolarHBondContact O-N 3.1Å; L51-E55 WeakPolarHBondContact O-CG 3.42Å; L51-E55 PolarHBondContact O-N 3.38Å
52D92.3Very high90.2Very high39 Ų3975.6 Ų75.621%0.20935%0.354CS..Hα-helixtrans-57.7-41.1178-67.1-8.7000110.5K48 Y54 E55 Y56 I177K48-D52 PolarHBondContact O-N 3.3Å; D52-Y54 PolarHBondContact O-N 3.25Å; D52-E55 PolarHBondContact O-N 2.92Å; D52-Y56 VanDerWaalsContact O-CD2 3.27Å; D52-Y56 WeakPolarHBondContact O-CD2 3.49Å; D52-Y56 PolarHBondContact O-N 2.94Å; D52-I177 HydrophobicContact CB-CD1 3.84Å; D52-I177 HydrophobicContact CB-CG1 4.37Å; D52-I177 HydrophobicContact CB-CG2 3.84Å
53I88.3Confident90.3Very high22 Ų2275.1 Ų75.111%0.11335%0.351CS..Hα-helixtrans-58.5-45.3175.4-73.4161.7000111.7D49 Q50 L51 E57 I177 V178 Y181D49-I53 WeakPolarHBondContact O-CB 3.39Å; D49-I53 WeakPolarHBondContact O-CD1 3.44Å; D49-I53 WeakPolarHBondContact O-CG1 3.38Å; D49-I53 PolarHBondContact O-N 2.89Å; Q50-I53 PolarHBondContact O-N 3.19Å; L51-I53 VanDerWaalsContact C-N 3.27Å; L51-I53 PolarHBondContact O-N 3.4Å; I53-E57 WeakPolarHBondContact O-CB 3.03Å; I53-E57 WeakPolarHBondContact O-CG 3.35Å; I53-E57 PolarHBondContact O-N 3.01Å; I53-I177 HydrophobicContact CD1-CG2 4.3Å; I53-I177 HydrophobicContact CG1-CB 4.38Å; I53-I177 HydrophobicContact CG1-CG2 3.69Å; I53-V178 HydrophobicContact CD1-CG2 3.9Å; I53-V178 HydrophobicContact CG1-CG2 3.88Å; I53-Y181 HydrophobicContact CD1-CD2 4.35Å; I53-Y181 HydrophobicContact CD1-CG 4.07Å
54Y90.2Very high90Very high128 Ų12870.4 Ų70.450%0.50234%0.336SS..Hα-helixtrans-69.2-39.3-179.7-65.6-41.9000112.6Q50 L51 D52 E57 A58Q50-Y54 HydrophobicContact CG-CD2 4.17Å; Q50-Y54 HydrophobicContact CG-CE2 3.52Å; Q50-Y54 PolarHBondContact NE2-OH 3Å; Q50-Y54 VanDerWaalsContact O-CD2 3.25Å; Q50-Y54 WeakPolarHBondContact O-CD2 3.34Å; Q50-Y54 PolarHBondContact O-N 3.01Å; L51-Y54 PolarHBondContact O-N 3.1Å; D52-Y54 PolarHBondContact O-N 3.25Å; Y54-E57 WeakPolarHBondContact O-CB 3.29Å; Y54-E57 PolarHBondContact O-N 3.06Å; Y54-A58 PolarHBondContact O-N 3.4Å
55E92.6Very high89.5Confident125 Ų12570.7 Ų70.758%0.58434%0.338SS*.Hα-helixtrans-61.4-46.8175.6-72-179.6-178.500111.3L51 D52 E57 A58 E59L51-E55 WeakPolarHBondContact O-CG 3.42Å; L51-E55 PolarHBondContact O-N 3.38Å; D52-E55 PolarHBondContact O-N 2.92Å; E55-E57 VanDerWaalsContact C-N 3.32Å; E55-E57 PolarHBondContact O-N 3.41Å; E55-A58 PolarHBondContact O-N 3.49Å; E55-E59 PolarHBondContact O-N 3.21Å
56Y89.9Confident89.2Confident52 Ų5267.6 Ų67.620%0.20433%0.331CS..Hα-helixtrans-67.6-31.5176.3-86.9-91.4000112.7D52 E59 I60 L170 R173 K174 I177D52-Y56 VanDerWaalsContact O-CD2 3.27Å; D52-Y56 WeakPolarHBondContact O-CD2 3.49Å; D52-Y56 PolarHBondContact O-N 2.94Å; Y56-E59 PolarHBondContact O-N 2.7Å; Y56-I60 VanDerWaalsContact O-CB 3.32Å; Y56-I60 WeakPolarHBondContact O-CB 3.42Å; Y56-I60 VanDerWaalsContact O-CD1 3.28Å; Y56-I60 WeakPolarHBondContact O-CD1 3.15Å; Y56-I60 WeakPolarHBondContact O-CG1 3.5Å; Y56-I60 PolarHBondContact O-N 3.31Å; Y56-L170 HydrophobicContact CD1-CD2 3.98Å; Y56-L170 WeakPolarHBondContact CD1-O 3.33Å; Y56-L170 HydrophobicContact CE1-CD2 3.87Å; Y56-R173 HydrophobicContact CD1-CB 4.03Å; Y56-R173 HydrophobicContact CE1-CB 3.33Å; Y56-R173 HydrophobicContact CE1-CG 4.2Å; Y56-R173 WeakPolarHBondContact OH-CD 3.39Å; Y56-K174 HydrophobicContact CD1-CB 4.38Å; Y56-K174 HydrophobicContact CG-CB 4.32Å; Y56-I177 HydrophobicContact CD2-CD1 3.46Å; Y56-I177 VanDerWaalsContact CD2-CD1 3.46Å; Y56-I177 HydrophobicContact CE2-CD1 3.53Å; Y56-I177 HydrophobicContact CG-CD1 4.18Å
57E87.2Confident88.6Confident82 Ų8266.7 Ų66.738%0.38333%0.326SS..Hα-helixtrans-60.7-48.2171.5-84.1-178.6165.600112I53 Y54 E55 E59 I60 T61 K174I53-E57 WeakPolarHBondContact O-CB 3.03Å; I53-E57 WeakPolarHBondContact O-CG 3.35Å; I53-E57 PolarHBondContact O-N 3.01Å; Y54-E57 WeakPolarHBondContact O-CB 3.29Å; Y54-E57 PolarHBondContact O-N 3.06Å; E55-E57 VanDerWaalsContact C-N 3.32Å; E55-E57 PolarHBondContact O-N 3.41Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 3.42Å; E57-I60 PolarHBondContact O-N 3.49Å; E57-T61 PolarHBondContact O-N 2.83Å; E57-T61 PolarHBondContact O-OG1 3.22Å; E57-K174 VanDerWaalsContact CD-NZ 3.33Å; E57-K174 HydrophobicContact CG-CD 4.07Å; E57-K174 VanDerWaalsContact CG-CE 3.43Å; E57-K174 WeakPolarHBondContact OE1-CE 3.47Å; E57-K174 IonicContact OE1-NZ 2.74Å; E57-K174 PolarHBondContact OE1-NZ 2.63Å
58A91.1Very high87.9Confident50 Ų5062.2 Ų62.241%0.41331%0.312SS..Hα-helixtrans-62.5-42.3177.500000111.8Y54 E55 T61 K62Y54-A58 PolarHBondContact O-N 3.4Å; E55-A58 PolarHBondContact O-N 3.49Å; A58-T61 PolarHBondContact O-N 3Å; A58-K62 WeakPolarHBondContact O-CG 3.41Å; A58-K62 PolarHBondContact O-N 2.82Å
59E91.9Very high87.1Confident50 Ų5064.2 Ų64.223%0.23432%0.323CS..Hα-helixtrans-69-38.1-179.9-167.265.3-17700112.6E55 Y56 E57 K62 Q63 R166 L170E55-E59 PolarHBondContact O-N 3.21Å; Y56-E59 PolarHBondContact O-N 2.7Å; E57-E59 VanDerWaalsContact C-N 3.34Å; E57-E59 PolarHBondContact O-N 3.42Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 IonicContact OE2-NZ 3.65Å; E59-Q63 WeakPolarHBondContact O-CB 3.37Å; E59-Q63 PolarHBondContact O-N 2.93Å; E59-R166 IonicContact OE1-CZ 3.8Å; E59-R166 IonicContact OE1-NH2 3.76Å; E59-R166 PolarHBondContact OE1-NH2 3.25Å; E59-L170 HydrophobicContact CB-CD2 4.25Å; E59-L170 HydrophobicContact CG-CD1 3.75Å; E59-L170 HydrophobicContact CG-CD2 3.6Å; E59-L170 HydrophobicContact CG-CG 4.33Å
60I87.6Confident86.2Confident20 Ų2068 Ų6810%0.10334%0.34CS..Hα-helixtrans-61.7-44.5172.3-73162000110.5Y56 E57 Q63 I64 L167 L170 V171 K174Y56-I60 VanDerWaalsContact O-CB 3.32Å; Y56-I60 WeakPolarHBondContact O-CB 3.42Å; Y56-I60 VanDerWaalsContact O-CD1 3.28Å; Y56-I60 WeakPolarHBondContact O-CD1 3.15Å; Y56-I60 WeakPolarHBondContact O-CG1 3.5Å; Y56-I60 PolarHBondContact O-N 3.31Å; E57-I60 PolarHBondContact O-N 3.49Å; I60-Q63 PolarHBondContact O-N 3.47Å; I60-I64 HydrophobicContact CG2-CD1 3.82Å; I60-I64 HydrophobicContact CG2-CG1 4.44Å; I60-I64 VanDerWaalsContact O-CG1 3.29Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.39Å; I60-L167 HydrophobicContact CG2-CD1 3.95Å; I60-L170 HydrophobicContact CG1-CB 3.77Å; I60-V171 HydrophobicContact CD1-CB 4.45Å; I60-V171 HydrophobicContact CD1-CG2 3.87Å; I60-V171 HydrophobicContact CG1-CG2 4.02Å; I60-V171 HydrophobicContact CG2-CG2 4.27Å; I60-K174 HydrophobicContact CD1-CB 3.96Å; I60-K174 HydrophobicContact CD1-CD 3.52Å; I60-K174 HydrophobicContact CD1-CG 4.35Å
61T86.9Confident85.1Confident79 Ų7966.1 Ų66.149%0.48533%0.332SS..Hα-helixtrans-60-48.5177.3-66.50000111.3E57 A58 Q63 I64 D65E57-T61 PolarHBondContact O-N 2.83Å; E57-T61 PolarHBondContact O-OG1 3.22Å; A58-T61 PolarHBondContact O-N 3Å; T61-Q63 VanDerWaalsContact C-N 3.3Å; T61-Q63 PolarHBondContact O-N 2.96Å; T61-I64 WeakPolarHBondContact O-CB 3.13Å; T61-I64 PolarHBondContact O-N 2.96Å; T61-D65 PolarHBondContact O-N 3.42Å
62K90.2Very high83.6Confident126 Ų12666.7 Ų66.755%0.54835%0.345SS..Hα-helixtrans-57.7-43176.1-70.5173.8-1731720112.3A58 E59 I64 D65 V66A58-K62 WeakPolarHBondContact O-CG 3.41Å; A58-K62 PolarHBondContact O-N 2.82Å; E59-K62 PolarHBondContact O-N 2.96Å; E59-K62 IonicContact OE2-NZ 3.65Å; K62-I64 VanDerWaalsContact C-N 3.34Å; K62-D65 WeakPolarHBondContact O-CB 3.37Å; K62-D65 PolarHBondContact O-N 3.44Å; K62-V66 WeakPolarHBondContact O-CG2 3.38Å; K62-V66 PolarHBondContact O-N 3.36Å
63Q86.1Confident82.3Confident5 Ų567 Ų672%0.02335%0.351CS..Hα-helixtrans-68.5-34.4-179.5-168.863.839.300112.2E59 I60 T61 D65 V66 I67 D163 R166 L167 L170E59-Q63 WeakPolarHBondContact O-CB 3.37Å; E59-Q63 PolarHBondContact O-N 2.93Å; I60-Q63 PolarHBondContact O-N 3.47Å; T61-Q63 VanDerWaalsContact C-N 3.3Å; T61-Q63 PolarHBondContact O-N 2.96Å; Q63-D65 VanDerWaalsContact C-N 3.32Å; Q63-V66 PolarHBondContact O-N 2.67Å; Q63-I67 HydrophobicContact CG-CD1 4.38Å; Q63-I67 WeakPolarHBondContact O-CG1 3.43Å; Q63-I67 PolarHBondContact O-N 3.38Å; Q63-I67 VanDerWaalsContact O-N 3.09Å; Q63-D163 VanDerWaalsContact NE2-CG 3.32Å; Q63-D163 PolarHBondContact NE2-O 3.02Å; Q63-D163 PolarHBondContact NE2-OD1 2.97Å; Q63-R166 HydrophobicContact CG-CG 4.45Å; Q63-R166 VanDerWaalsContact OE1-CD 3.23Å; Q63-L167 HydrophobicContact CB-CD1 4.23Å; Q63-L167 HydrophobicContact CG-CB 3.7Å; Q63-L167 HydrophobicContact CG-CD1 4.26Å; Q63-L167 HydrophobicContact CG-CG 4.46Å; Q63-L170 HydrophobicContact CB-CD1 3.94Å; Q63-L170 HydrophobicContact CG-CD1 4.19Å
64I81.8Confident81.3Confident38 Ų3872.2 Ų72.220%0.19538%0.379CS..Hα-helixtrans-62.5-42.5170.7-71167.2000110.1I60 T61 K62 V66 I67 A68 V77 V81 L167I60-I64 HydrophobicContact CG2-CD1 3.82Å; I60-I64 HydrophobicContact CG2-CG1 4.44Å; I60-I64 VanDerWaalsContact O-CG1 3.29Å; I60-I64 WeakPolarHBondContact O-CG1 3.4Å; I60-I64 PolarHBondContact O-N 3.39Å; T61-I64 WeakPolarHBondContact O-CB 3.13Å; T61-I64 PolarHBondContact O-N 2.96Å; K62-I64 VanDerWaalsContact C-N 3.34Å; I64-V66 VanDerWaalsContact C-N 3.34Å; I64-V66 PolarHBondContact O-N 3.3Å; I64-I67 PolarHBondContact O-N 3.38Å; I64-A68 VanDerWaalsContact O-CB 3.26Å; I64-A68 WeakPolarHBondContact O-CB 3.49Å; I64-A68 PolarHBondContact O-N 3.15Å; I64-V77 HydrophobicContact CG2-CG1 4.14Å; I64-V81 HydrophobicContact CD1-CG1 4.24Å; I64-V81 HydrophobicContact CD1-CG2 3.85Å; I64-V81 HydrophobicContact CG1-CG2 3.94Å; I64-V81 HydrophobicContact CG2-CG2 3.97Å; I64-L167 HydrophobicContact CG1-CD1 4.04Å; I64-L167 HydrophobicContact CG1-CD2 3.99Å
65D84.3Confident79.8Confident88 Ų8873.2 Ų73.247%0.47139%0.388SS..Hα-helixtrans-63.4-38.9178.6-64.2-27.5000112T61 K62 Q63 A68 Q69T61-D65 PolarHBondContact O-N 3.42Å; K62-D65 WeakPolarHBondContact O-CB 3.37Å; K62-D65 PolarHBondContact O-N 3.44Å; Q63-D65 VanDerWaalsContact C-N 3.32Å; D65-A68 PolarHBondContact O-N 3.12Å; D65-Q69 WeakPolarHBondContact O-CG 3.41Å; D65-Q69 PolarHBondContact O-N 3.14Å
66V84Confident78.8Confident53 Ų5369.1 Ų69.132%0.32137%0.372SS..Hα-helixtrans-60.4-52.1173.3172.10000110.7K62 Q63 I64 A68 Q69K62-V66 WeakPolarHBondContact O-CG2 3.38Å; K62-V66 PolarHBondContact O-N 3.36Å; Q63-V66 PolarHBondContact O-N 2.67Å; I64-V66 VanDerWaalsContact C-N 3.34Å; I64-V66 PolarHBondContact O-N 3.3Å; V66-A68 VanDerWaalsContact C-N 3.25Å; V66-A68 PolarHBondContact O-N 2.82Å; V66-Q69 WeakPolarHBondContact O-CB 3.38Å; V66-Q69 PolarHBondContact O-N 2.82Å; V66-Q69 VanDerWaalsContact O-N 3.16Å
67I76Confident77.8Confident4 Ų467.3 Ų67.32%0.02137%0.366CS..Hα-helixtrans-62.5-35.9178.9-69.2166.3000111.1Q63 I64 Q69 E70 L71 D163 L167Q63-I67 HydrophobicContact CG-CD1 4.38Å; Q63-I67 WeakPolarHBondContact O-CG1 3.43Å; Q63-I67 PolarHBondContact O-N 3.38Å; Q63-I67 VanDerWaalsContact O-N 3.09Å; I64-I67 PolarHBondContact O-N 3.38Å; I67-Q69 VanDerWaalsContact C-N 3.27Å; I67-Q69 PolarHBondContact O-N 3.31Å; I67-E70 PolarHBondContact O-N 3.2Å; I67-E70 VanDerWaalsContact O-N 3.12Å; I67-L71 HydrophobicContact CG2-CD1 3.61Å; I67-L71 HydrophobicContact CG2-CG 4.09Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.3Å; I67-L71 VanDerWaalsContact O-N 3.11Å; I67-D163 HydrophobicContact CG1-CB 3.99Å; I67-L167 HydrophobicContact CD1-CB 3.81Å; I67-L167 HydrophobicContact CD1-CD2 3.45Å; I67-L167 VanDerWaalsContact CD1-CD2 3.45Å; I67-L167 HydrophobicContact CD1-CG 4.25Å
68A77.1Confident77.1Confident27 Ų2766.6 Ų66.622%0.22337%0.367CS..Hα-helixtrans-64.3-31.5178.800000113.2I64 D65 V66 E70 V77I64-A68 VanDerWaalsContact O-CB 3.26Å; I64-A68 WeakPolarHBondContact O-CB 3.49Å; I64-A68 PolarHBondContact O-N 3.15Å; D65-A68 PolarHBondContact O-N 3.12Å; V66-A68 VanDerWaalsContact C-N 3.25Å; V66-A68 PolarHBondContact O-N 2.82Å; A68-E70 VanDerWaalsContact C-N 3.26Å; A68-E70 PolarHBondContact O-N 2.96Å; A68-V77 HydrophobicContact CB-CB 4.47Å; A68-V77 HydrophobicContact CB-CG1 3.9Å; A68-V77 HydrophobicContact CB-CG2 3.78Å
69Q79.2Confident76.2Confident167 Ų16770.2 Ų70.278%0.7838%0.375SS*.Hα-helixtrans-69.5-25.1175.2-69.3169.812.500112.6D65 V66 I67D65-Q69 WeakPolarHBondContact O-CG 3.41Å; D65-Q69 PolarHBondContact O-N 3.14Å; V66-Q69 WeakPolarHBondContact O-CB 3.38Å; V66-Q69 PolarHBondContact O-N 2.82Å; V66-Q69 VanDerWaalsContact O-N 3.16Å; I67-Q69 VanDerWaalsContact C-N 3.27Å; I67-Q69 PolarHBondContact O-N 3.31Å
70E70.4Confident75.4Confident93 Ų9368 Ų6844%0.43537%0.365SS..Hα-helixtrans-93.6-20.6-178-60.5-172154.900113.6I67 A68 N160I67-E70 PolarHBondContact O-N 3.2Å; I67-E70 VanDerWaalsContact O-N 3.12Å; A68-E70 VanDerWaalsContact C-N 3.26Å; A68-E70 PolarHBondContact O-N 2.96Å; E70-N160 VanDerWaalsContact CD-ND2 3.3Å; E70-N160 PolarHBondContact OE1-ND2 3.38Å; E70-N160 WeakPolarHBondContact OE2-CB 3.33Å; E70-N160 PolarHBondContact OE2-ND2 2.88Å
71L66.6Low74.7Confident35 Ų3569.4 Ų69.418%0.18337%0.374CS..SBendtrans-86126.7179.6-69.8177.9000110.9I67 S73 T76 V77I67-L71 HydrophobicContact CG2-CD1 3.61Å; I67-L71 HydrophobicContact CG2-CG 4.09Å; I67-L71 WeakPolarHBondContact O-CG 3.44Å; I67-L71 PolarHBondContact O-N 3.3Å; I67-L71 VanDerWaalsContact O-N 3.11Å; L71-S73 PolarHBondContact O-N 3.11Å; L71-T76 HydrophobicContact CD1-CG2 4.06Å; L71-T76 HydrophobicContact CD2-CG2 4Å; L71-V77 HydrophobicContact CB-CG2 3.84Å; L71-V77 HydrophobicContact CD1-CB 4.36Å; L71-V77 HydrophobicContact CD1-CG2 3.76Å; L71-V77 HydrophobicContact CG-CG2 4.4Å
72S62.1Low74.2Confident117 Ų11772.4 Ų72.482%0.81838%0.381SS*.SBendtrans-64-8.8-17431.50000115.4
73S65.7Low73.5Confident47 Ų4766.9 Ų66.933%0.32936%0.358SS..SBendtrans-152.3147.9170.674.30000112.4L71 E75 T76L71-S73 PolarHBondContact O-N 3.11Å; S73-E75 PolarHBondContact O-N 3.18Å; S73-T76 PolarHBondContact O-N 2.9Å; S73-T76 PolarHBondContact OG-OG1 3.31Å
74N65.5Low72.9Confident131 Ų13167.2 Ų67.270%0.70136%0.36SS*.Hα-helixtrans-60.5-23.9174.9-79.4-18.9000113.5V77 T78N74-V77 PolarHBondContact O-N 3.26Å; N74-T78 PolarHBondContact O-N 3.04Å; N74-T78 VanDerWaalsContact O-N 3.09Å; N74-T78 PolarHBondContact O-OG1 2.95Å
75E60.7Low72.5Confident149 Ų14971.2 Ų71.270%0.69638%0.377SS*.Hα-helixtrans-64.8-43.8176.9-69.1-179.616800110.7S73 V77 T78 E79S73-E75 PolarHBondContact O-N 3.18Å; E75-V77 VanDerWaalsContact C-N 3.34Å; E75-V77 PolarHBondContact O-N 2.98Å; E75-T78 PolarHBondContact O-N 2.85Å; E75-E79 WeakPolarHBondContact O-CG 3.38Å; E75-E79 PolarHBondContact O-N 3.38Å
76T70.8Confident71.8Confident39 Ų3968 Ų6824%0.23936%0.361CS..Hα-helixtrans-63.5-38.9177.6-48.80000112L71 S73 Y80 P156L71-T76 HydrophobicContact CD1-CG2 4.06Å; L71-T76 HydrophobicContact CD2-CG2 4Å; S73-T76 PolarHBondContact O-N 2.9Å; S73-T76 PolarHBondContact OG-OG1 3.31Å; T76-Y80 WeakPolarHBondContact O-CB 3.45Å; T76-Y80 PolarHBondContact O-N 3.24Å; T76-P156 HydrophobicContact CG2-CG 4.31Å
77V68.7Low71.1Confident13 Ų1367.2 Ų67.28%0.07936%0.355CS..Hα-helixtrans-62.6-47176.1-174.20000110.7I64 A68 L71 N74 E75 E79 Y80 V81I64-V77 HydrophobicContact CG2-CG1 4.14Å; A68-V77 HydrophobicContact CB-CB 4.47Å; A68-V77 HydrophobicContact CB-CG1 3.9Å; A68-V77 HydrophobicContact CB-CG2 3.78Å; L71-V77 HydrophobicContact CB-CG2 3.84Å; L71-V77 HydrophobicContact CD1-CB 4.36Å; L71-V77 HydrophobicContact CD1-CG2 3.76Å; L71-V77 HydrophobicContact CG-CG2 4.4Å; N74-V77 PolarHBondContact O-N 3.26Å; E75-V77 VanDerWaalsContact C-N 3.34Å; E75-V77 PolarHBondContact O-N 2.98Å; V77-E79 PolarHBondContact O-N 3.04Å; V77-Y80 PolarHBondContact O-N 3.44Å; V77-V81 HydrophobicContact CG1-CG2 4.42Å; V77-V81 WeakPolarHBondContact O-CG2 3Å; V77-V81 PolarHBondContact O-N 3.49Å
78T71.6Confident70.7Confident68 Ų6867.8 Ų67.842%0.41736%0.359SS..Hα-helixtrans-63.5-43.5-178.4-610000111.1N74 E75 K82N74-T78 PolarHBondContact O-N 3.04Å; N74-T78 VanDerWaalsContact O-N 3.09Å; N74-T78 PolarHBondContact O-OG1 2.95Å; E75-T78 PolarHBondContact O-N 2.85Å; T78-K82 HydrophobicContact CG2-CD 4.13Å; T78-K82 WeakPolarHBondContact O-CB 3.47Å; T78-K82 VanDerWaalsContact O-CG 3.24Å; T78-K82 WeakPolarHBondContact O-CG 3.4Å; T78-K82 PolarHBondContact O-N 2.91Å
79E73.8Confident70.3Confident125 Ų12570 Ų7058%0.58436%0.364SS*.Hα-helixtrans-64.7-42.6175.5-72.2-178167.500112E75 V77 K82 C83E75-E79 WeakPolarHBondContact O-CG 3.38Å; E75-E79 PolarHBondContact O-N 3.38Å; V77-E79 PolarHBondContact O-N 3.04Å; E79-K82 PolarHBondContact O-N 3.39Å; E79-C83 WeakPolarHBondContact O-CB 3.46Å; E79-C83 PolarHBondContact O-N 3.48Å
80Y73.4Confident69.7Low5 Ų563.9 Ų63.92%0.0234%0.335CS..Hα-helixtrans-58.7-50.8175.6-175.9-77.5000111.2T76 V77 K82 C83 L84 L155 P156 T164 L167T76-Y80 WeakPolarHBondContact O-CB 3.45Å; T76-Y80 PolarHBondContact O-N 3.24Å; V77-Y80 PolarHBondContact O-N 3.44Å; Y80-K82 PolarHBondContact O-N 2.83Å; Y80-C83 PolarHBondContact O-N 3Å; Y80-L84 HydrophobicContact CE1-CD2 4.25Å; Y80-L84 WeakPolarHBondContact O-CB 3.45Å; Y80-L84 PolarHBondContact O-N 2.04Å; Y80-L155 HydrophobicContact CD1-CD2 4.48Å; Y80-L155 HydrophobicContact CD2-CD2 4.03Å; Y80-L155 HydrophobicContact CE1-CD2 4.27Å; Y80-L155 HydrophobicContact CE2-CB 4.31Å; Y80-L155 HydrophobicContact CE2-CD2 3.83Å; Y80-L155 HydrophobicContact CE2-CG 4.45Å; Y80-L155 HydrophobicContact CG-CD2 4.34Å; Y80-P156 HydrophobicContact CD2-CG 3.85Å; Y80-T164 HydrophobicContact CE2-CG2 4.16Å; Y80-T164 WeakPolarHBondContact OH-CG2 3.31Å; Y80-L167 HydrophobicContact CD1-CD2 4.21Å; Y80-L167 HydrophobicContact CE1-CD2 3.55Å
81V73.5Confident69.5Low49 Ų4964.5 Ų64.530%0.29734%0.336SS..Hα-helixtrans-64.2-41179.8173.10000111.4I64 V77 L84 H85I64-V81 HydrophobicContact CD1-CG1 4.24Å; I64-V81 HydrophobicContact CD1-CG2 3.85Å; I64-V81 HydrophobicContact CG1-CG2 3.94Å; I64-V81 HydrophobicContact CG2-CG2 3.97Å; V77-V81 HydrophobicContact CG1-CG2 4.42Å; V77-V81 WeakPolarHBondContact O-CG2 3Å; V77-V81 PolarHBondContact O-N 3.49Å; V81-L84 PolarHBondContact O-N 3.5Å; V81-H85 WeakPolarHBondContact O-CB 3.35Å; V81-H85 PolarHBondContact O-N 3.5Å
82K75.9Confident69.4Low142 Ų14263.5 Ų63.562%0.61733%0.332SS*.Hα-helixtrans-62-43.3174.1-78173.9-1791730111.5T78 E79 Y80 H85 S86T78-K82 HydrophobicContact CG2-CD 4.13Å; T78-K82 WeakPolarHBondContact O-CB 3.47Å; T78-K82 VanDerWaalsContact O-CG 3.24Å; T78-K82 WeakPolarHBondContact O-CG 3.4Å; T78-K82 PolarHBondContact O-N 2.91Å; E79-K82 PolarHBondContact O-N 3.39Å; Y80-K82 PolarHBondContact O-N 2.83Å; K82-H85 PolarHBondContact O-N 2.67Å; K82-S86 PolarHBondContact O-N 2.87Å
83C75.9Confident69.6Low10 Ų1058 Ų587%0.06829%0.293CS..Hα-helixtrans-66.3-47178.5178.30000111.3E79 Y80 H85 S86 L87 C153 V154 L155E79-C83 WeakPolarHBondContact O-CB 3.46Å; E79-C83 PolarHBondContact O-N 3.48Å; Y80-C83 PolarHBondContact O-N 3Å; C83-H85 VanDerWaalsContact C-N 3.27Å; C83-H85 PolarHBondContact O-N 3.33Å; C83-S86 CarbonylContact O-C 3.58Å; C83-S86 WeakPolarHBondContact O-CA 3.41Å; C83-S86 WeakPolarHBondContact O-CB 3.43Å; C83-S86 PolarHBondContact O-N 3.1Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 3.46Å; C83-C153 WeakPolarHBondContact CA-SG 3.24Å; C83-C153 HydrophobicContact CB-CB 3.77Å; C83-C153 WeakPolarHBondContact CB-SG 3.38Å; C83-C153 PolarHBondContact O-SG 3.11Å; C83-C153 VanDerWaalsContact SG-C 3.6Å; C83-C153 WeakPolarHBondContact SG-CB 3.44Å; C83-C153 CovalentContact SG-SG 2.04Å; C83-C153 PolarHBondContact SG-SG 2.9Å; C83-V154 VanDerWaalsContact SG-C 3.58Å; C83-L155 HydrophobicContact CB-CD2 4.07Å
84L73.5Confident69.7Low11 Ų1164.5 Ų64.56%0.05831%0.311CS..Hα-helixtrans-57.4-42.5175.7-17661.5000111.7Y80 V81 S86 L87 V88 L155 L167 I168 V171Y80-L84 HydrophobicContact CE1-CD2 4.25Å; Y80-L84 WeakPolarHBondContact O-CB 3.45Å; Y80-L84 PolarHBondContact O-N 2.04Å; V81-L84 PolarHBondContact O-N 3.5Å; L84-S86 VanDerWaalsContact C-N 3.35Å; L84-S86 PolarHBondContact O-N 3.17Å; L84-L87 PolarHBondContact O-N 2.87Å; L84-V88 HydrophobicContact CD1-CG2 4.23Å; L84-V88 HydrophobicContact CG-CG2 4.44Å; L84-V88 WeakPolarHBondContact O-CB 3.23Å; L84-V88 WeakPolarHBondContact O-CG2 3.26Å; L84-V88 PolarHBondContact O-N 3.5Å; L84-L155 HydrophobicContact CB-CD2 4.23Å; L84-L167 HydrophobicContact CD2-CD1 4.17Å; L84-L167 HydrophobicContact CD2-CD2 3.81Å; L84-L167 HydrophobicContact CD2-CG 3.56Å; L84-I168 HydrophobicContact CD1-CG1 3.88Å; L84-V171 HydrophobicContact CD2-CB 4.47Å; L84-V171 HydrophobicContact CD2-CG2 3.73Å; L84-V171 HydrophobicContact CG-CG2 4.33Å
85H73.5Confident69.7Low123 Ų12359.4 Ų59.457%0.56929%0.289SS*.Hα-helixtrans-60.4-42.9173.7-17569.2000112.3V81 K82 C83 K89V81-H85 WeakPolarHBondContact O-CB 3.35Å; V81-H85 PolarHBondContact O-N 3.5Å; K82-H85 PolarHBondContact O-N 2.67Å; C83-H85 VanDerWaalsContact C-N 3.27Å; C83-H85 PolarHBondContact O-N 3.33Å; H85-K89 WeakPolarHBondContact O-CB 3.39Å; H85-K89 PolarHBondContact O-N 3.34Å
86S70.8Confident69.8Low19 Ų1953 Ų5313%0.13326%0.259CS..Hα-helixtrans-63.5-46.1176.4-164.10000111.9K82 C83 L84 V88 K89 Q90 P151K82-S86 PolarHBondContact O-N 2.87Å; C83-S86 CarbonylContact O-C 3.58Å; C83-S86 WeakPolarHBondContact O-CA 3.41Å; C83-S86 WeakPolarHBondContact O-CB 3.43Å; C83-S86 PolarHBondContact O-N 3.1Å; L84-S86 VanDerWaalsContact C-N 3.35Å; L84-S86 PolarHBondContact O-N 3.17Å; S86-V88 PolarHBondContact O-N 3.25Å; S86-K89 WeakPolarHBondContact O-CB 3.42Å; S86-K89 PolarHBondContact O-N 3.39Å; S86-Q90 WeakPolarHBondContact O-CG 3.24Å; S86-Q90 PolarHBondContact O-N 3.44Å; S86-P151 PolarHBondContact OG-O 3.5Å; S86-P151 VanDerWaalsContact OG-O 3.09Å
87L68.4Low69.6Low38 Ų3855.2 Ų55.220%0.19926%0.263CS..Hα-helixtrans-61.1-46.7177.5-71.2172.8000111.1C83 L84 K89 Q90 F91 L155C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 3.46Å; L84-L87 PolarHBondContact O-N 2.87Å; L87-K89 VanDerWaalsContact C-N 3.28Å; L87-K89 PolarHBondContact O-N 3.11Å; L87-Q90 WeakPolarHBondContact O-CA 3.39Å; L87-Q90 WeakPolarHBondContact O-CB 3.32Å; L87-Q90 PolarHBondContact O-N 3.01Å; L87-F91 VanDerWaalsContact O-CD2 3.24Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 PolarHBondContact O-N 3.44Å; L87-L155 HydrophobicContact CD1-CD1 4.03Å; L87-L155 HydrophobicContact CD1-CD2 4.28Å; L87-L155 HydrophobicContact CD1-CG 3.79Å
88V68.7Low69.5Low15 Ų1560.2 Ų60.29%0.09129%0.286CS..Hα-helixtrans-62.8-39.7178.4170.50000110.5L84 S86 Q90 F91 T92 V171L84-V88 HydrophobicContact CD1-CG2 4.23Å; L84-V88 HydrophobicContact CG-CG2 4.44Å; L84-V88 WeakPolarHBondContact O-CB 3.23Å; L84-V88 WeakPolarHBondContact O-CG2 3.26Å; L84-V88 PolarHBondContact O-N 3.5Å; S86-V88 PolarHBondContact O-N 3.25Å; V88-Q90 VanDerWaalsContact C-N 3.34Å; V88-Q90 PolarHBondContact O-N 3.34Å; V88-F91 PolarHBondContact O-N 2.87Å; V88-T92 VanDerWaalsContact O-CB 3.25Å; V88-T92 WeakPolarHBondContact O-CB 3.31Å; V88-T92 PolarHBondContact O-N 3Å; V88-T92 PolarHBondContact O-OG1 3.5Å; V88-V171 HydrophobicContact CB-CG1 4.02Å; V88-V171 HydrophobicContact CG1-CG1 3.81Å; V88-V171 HydrophobicContact CG2-CB 4.18Å; V88-V171 HydrophobicContact CG2-CG1 3.31Å
89K67.3Low69.1Low75 Ų7560.7 Ų60.733%0.32628%0.283SS..Hα-helixtrans-61.6-40.2172.4-170.5-170.4-177.6-150.90111.9H85 S86 L87 T92 V93 L148H85-K89 WeakPolarHBondContact O-CB 3.39Å; H85-K89 PolarHBondContact O-N 3.34Å; S86-K89 WeakPolarHBondContact O-CB 3.42Å; S86-K89 PolarHBondContact O-N 3.39Å; L87-K89 VanDerWaalsContact C-N 3.28Å; L87-K89 PolarHBondContact O-N 3.11Å; K89-T92 VanDerWaalsContact O-CB 3.31Å; K89-T92 WeakPolarHBondContact O-CB 3.25Å; K89-T92 PolarHBondContact O-N 3.29Å; K89-V93 WeakPolarHBondContact O-CB 3.46Å; K89-V93 WeakPolarHBondContact O-CG2 3.41Å; K89-V93 PolarHBondContact O-N 3.32Å; K89-L148 WeakPolarHBondContact CE-O 3.49Å; K89-L148 PolarHBondContact NZ-O 2.88Å
90Q67.4Low68.6Low37 Ų3755.1 Ų55.117%0.17326%0.257CS..Hα-helixtrans-64.5-49.2175.3-77.5173.87.500112.4S86 L87 V88 T92 V93 R94 S149 G150 P151S86-Q90 WeakPolarHBondContact O-CG 3.24Å; S86-Q90 PolarHBondContact O-N 3.44Å; L87-Q90 WeakPolarHBondContact O-CA 3.39Å; L87-Q90 WeakPolarHBondContact O-CB 3.32Å; L87-Q90 PolarHBondContact O-N 3.01Å; V88-Q90 VanDerWaalsContact C-N 3.34Å; V88-Q90 PolarHBondContact O-N 3.34Å; Q90-T92 PolarHBondContact O-N 2.88Å; Q90-V93 PolarHBondContact O-N 2.8Å; Q90-R94 WeakPolarHBondContact O-CB 3.36Å; Q90-R94 PolarHBondContact O-N 3.3Å; Q90-S149 WeakPolarHBondContact CG-O 2.88Å; Q90-S149 PolarHBondContact NE2-O 2.92Å; Q90-G150 PolarHBondContact NE2-O 3.46Å; Q90-P151 VanDerWaalsContact NE2-C 3.31Å; Q90-P151 PolarHBondContact NE2-O 2.95Å
91F66.8Low68.2Low107 Ų10757.9 Ų57.947%0.46927%0.272SS..Hα-helixtrans-58.5-39.6174.7-84.1-76.3000111.4L87 V88 R94 G95 F172L87-F91 VanDerWaalsContact O-CD2 3.24Å; L87-F91 WeakPolarHBondContact O-CD2 3.2Å; L87-F91 PolarHBondContact O-N 3.44Å; V88-F91 PolarHBondContact O-N 2.87Å; F91-R94 PolarHBondContact O-N 3.42Å; F91-G95 PolarHBondContact O-N 3.01Å; F91-F172 HydrophobicContact CB-CE1 3.94Å; F91-F172 HydrophobicContact CD1-CE1 4.22Å; F91-F172 HydrophobicContact CD1-CZ 4.38Å; F91-F172 AromaticContact CD2-CE1 3.94Å; F91-F172 HydrophobicContact CD2-CE1 3.94Å; F91-F172 AromaticContact CD2-CZ 3.64Å; F91-F172 HydrophobicContact CD2-CZ 3.64Å; F91-F172 AromaticContact CE2-CZ 3.86Å; F91-F172 HydrophobicContact CE2-CZ 3.86Å; F91-F172 AromaticContact CG-CE1 3.78Å; F91-F172 HydrophobicContact CG-CE1 3.78Å; F91-F172 AromaticContact CG-CZ 3.94Å; F91-F172 HydrophobicContact CG-CZ 3.94Å; F91-F172 HydrophobicContact CZ-CZ 4.32Å
92T63.8Low67.7Low13 Ų1359.6 Ų59.68%0.0828%0.28CS..Hα-helixtrans-59.1-56.5175.3-62.40000111.4V88 K89 Q90 R94 G95 L96 Y175V88-T92 VanDerWaalsContact O-CB 3.25Å; V88-T92 WeakPolarHBondContact O-CB 3.31Å; V88-T92 PolarHBondContact O-N 3Å; V88-T92 PolarHBondContact O-OG1 3.5Å; K89-T92 VanDerWaalsContact O-CB 3.31Å; K89-T92 WeakPolarHBondContact O-CB 3.25Å; K89-T92 PolarHBondContact O-N 3.29Å; Q90-T92 PolarHBondContact O-N 2.88Å; T92-R94 VanDerWaalsContact C-N 3.26Å; T92-R94 PolarHBondContact O-N 3.31Å; T92-G95 PolarHBondContact O-N 2.78Å; T92-L96 HydrophobicContact CG2-CD1 3.55Å; T92-L96 HydrophobicContact CG2-CG 4.45Å; T92-L96 WeakPolarHBondContact O-CB 3.04Å; T92-L96 VanDerWaalsContact O-CG 3.27Å; T92-L96 WeakPolarHBondContact O-CG 3.43Å; T92-L96 PolarHBondContact O-N 2.84Å; T92-Y175 WeakPolarHBondContact CA-OH 3.2Å; T92-Y175 VanDerWaalsContact CB-CE2 3.49Å; T92-Y175 HydrophobicContact CG2-CD2 4.32Å; T92-Y175 HydrophobicContact CG2-CE2 3.31Å; T92-Y175 WeakPolarHBondContact CG2-OH 3.38Å; T92-Y175 WeakPolarHBondContact OG1-CD2 3.29Å; T92-Y175 WeakPolarHBondContact OG1-CE2 3.47Å
93V65.3Low66.8Low3 Ų355.1 Ų55.12%0.01826%0.264CS..Hα-helixtrans-59.1-40.9-179.11650000110.6L5 K89 Q90 R97 F145 L148 S149L5-V93 HydrophobicContact CD2-CG2 4.03Å; K89-V93 WeakPolarHBondContact O-CB 3.46Å; K89-V93 WeakPolarHBondContact O-CG2 3.41Å; K89-V93 PolarHBondContact O-N 3.32Å; Q90-V93 PolarHBondContact O-N 2.8Å; V93-R97 VanDerWaalsContact O-CB 3.29Å; V93-R97 WeakPolarHBondContact O-CB 3.38Å; V93-R97 PolarHBondContact O-N 3.5Å; V93-F145 HydrophobicContact CG1-CB 4.05Å; V93-F145 HydrophobicContact CG1-CD1 4.05Å; V93-F145 WeakPolarHBondContact CG1-O 3.21Å; V93-L148 HydrophobicContact CG1-CB 4.46Å; V93-L148 HydrophobicContact CG2-CB 3.71Å; V93-S149 VanDerWaalsContact CG1-OG 3.3Å; V93-S149 WeakPolarHBondContact CG1-OG 2.87Å
94R68.4Low65.9Low183 Ų18355.5 Ų55.569%0.69127%0.266SS*.Hα-helixtrans-64.8-48.2177-169.1-178.5-138.1173.33.7112.6Q90 F91 T92 L96 R97 Q98Q90-R94 WeakPolarHBondContact O-CB 3.36Å; Q90-R94 PolarHBondContact O-N 3.3Å; F91-R94 PolarHBondContact O-N 3.42Å; T92-R94 VanDerWaalsContact C-N 3.26Å; T92-R94 PolarHBondContact O-N 3.31Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.09Å; R94-R97 PolarHBondContact O-N 3.39Å; R94-Q98 PolarHBondContact O-N 3.05Å
95G66.1Low65.5Low23 Ų2358.5 Ų58.524%0.23729%0.288CS..Hα-helixtrans-63.9-38.717800000112.3F91 T92 Q98 E99F91-G95 PolarHBondContact O-N 3.01Å; T92-G95 PolarHBondContact O-N 2.78Å; G95-Q98 PolarHBondContact O-N 2.64Å; G95-E99 WeakPolarHBondContact O-CG 3.49Å; G95-E99 PolarHBondContact O-N 3.37Å
96L61.6Low64.6Low16 Ų1656.9 Ų56.98%0.08428%0.283CS..Hα-helixtrans-69.7-38.1176.2-70.1166.4000112.3L6 L9 T92 R94 Q98 E99 F100 F145L6-L96 HydrophobicContact CD2-CD1 4.39Å; L9-L96 HydrophobicContact CD1-CB 4.2Å; L9-L96 HydrophobicContact CD1-CD1 3.69Å; L9-L96 HydrophobicContact CD1-CG 4.36Å; T92-L96 HydrophobicContact CG2-CD1 3.55Å; T92-L96 HydrophobicContact CG2-CG 4.45Å; T92-L96 WeakPolarHBondContact O-CB 3.04Å; T92-L96 VanDerWaalsContact O-CG 3.27Å; T92-L96 WeakPolarHBondContact O-CG 3.43Å; T92-L96 PolarHBondContact O-N 2.84Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.09Å; L96-Q98 VanDerWaalsContact C-N 3.33Å; L96-E99 PolarHBondContact O-N 3.09Å; L96-F100 VanDerWaalsContact O-CB 3.27Å; L96-F100 WeakPolarHBondContact O-CB 2.78Å; L96-F100 PolarHBondContact O-N 2.93Å; L96-F145 HydrophobicContact CB-CE1 3.7Å; L96-F145 HydrophobicContact CB-CZ 4.29Å
97R66.9Low63.7Low85 Ų8558.4 Ų58.432%0.32129%0.29SS..Hα-helixtrans-61-44.6171.7177.3175.3-179.3162.46.8110.7V93 R94 F100 D101 F145 D146V93-R97 VanDerWaalsContact O-CB 3.29Å; V93-R97 WeakPolarHBondContact O-CB 3.38Å; V93-R97 PolarHBondContact O-N 3.5Å; R94-R97 PolarHBondContact O-N 3.39Å; R97-F100 WeakPolarHBondContact O-CB 3.48Å; R97-F100 PolarHBondContact O-N 3.25Å; R97-D101 WeakPolarHBondContact CG-OD2 3.3Å; R97-D101 IonicContact NE-OD2 3.9Å; R97-D101 WeakPolarHBondContact O-CB 3.19Å; R97-D101 PolarHBondContact O-N 3.35Å; R97-F145 HydrophobicContact CB-CD1 4.32Å; R97-F145 HydrophobicContact CB-CD2 4.33Å; R97-F145 HydrophobicContact CB-CE1 4.49Å; R97-F145 HydrophobicContact CB-CG 4.2Å; R97-D146 IonicContact CZ-OD1 3.64Å; R97-D146 IonicContact NH1-OD1 2.74Å; R97-D146 PolarHBondContact NH1-OD1 3.49Å; R97-D146 IonicContact NH1-OD2 3.81Å
98Q68.1Low63Low118 Ų11858.6 Ų58.655%0.55129%0.291SS*.Hα-helixtrans-60.4-47.6176.6-174.6173.3-0.200111.7R94 G95 L96 F100 D101 D102R94-Q98 PolarHBondContact O-N 3.05Å; G95-Q98 PolarHBondContact O-N 2.64Å; L96-Q98 VanDerWaalsContact C-N 3.33Å; Q98-F100 VanDerWaalsContact C-N 3.26Å; Q98-F100 PolarHBondContact O-N 3.06Å; Q98-D101 PolarHBondContact O-N 2.9Å; Q98-D102 WeakPolarHBondContact O-CB 3.14Å; Q98-D102 PolarHBondContact O-N 2.95Å
99E62.6Low62.3Low77 Ų7760.2 Ų60.236%0.3630%0.303SS..Hα-helixtrans-61-37.1175.6-71.9-174158.400112.8G95 L96 V103 K179G95-E99 WeakPolarHBondContact O-CG 3.49Å; G95-E99 PolarHBondContact O-N 3.37Å; L96-E99 PolarHBondContact O-N 3.09Å; E99-V103 VanDerWaalsContact O-CG2 3.31Å; E99-V103 WeakPolarHBondContact O-CG2 3.38Å; E99-V103 PolarHBondContact O-N 3.35Å; E99-K179 VanDerWaalsContact CD-CE 3.45Å; E99-K179 WeakPolarHBondContact OE1-CE 3.09Å; E99-K179 IonicContact OE1-NZ 2.67Å; E99-K179 PolarHBondContact OE1-NZ 3.01Å; E99-K179 IonicContact OE2-NZ 3.36Å
100F61.9Low61.1Low9 Ų962.4 Ų62.44%0.03931%0.31CS..Hα-helixtrans-67.2-43.4176.5-178.7-100.7000112.1L12 L16 L96 R97 Q98 V103 T104 V138 H141 I142 F145L12-F100 HydrophobicContact CD2-CD2 4.04Å; L12-F100 HydrophobicContact CD2-CE2 3.36Å; L12-F100 HydrophobicContact CD2-CZ 4Å; L16-F100 HydrophobicContact CD1-CE2 4.07Å; L96-F100 VanDerWaalsContact O-CB 3.27Å; L96-F100 WeakPolarHBondContact O-CB 2.78Å; L96-F100 PolarHBondContact O-N 2.93Å; R97-F100 WeakPolarHBondContact O-CB 3.48Å; R97-F100 PolarHBondContact O-N 3.25Å; Q98-F100 VanDerWaalsContact C-N 3.26Å; Q98-F100 PolarHBondContact O-N 3.06Å; F100-V103 PolarHBondContact O-N 2.7Å; F100-T104 VanDerWaalsContact O-CB 3.28Å; F100-T104 WeakPolarHBondContact O-CB 3.33Å; F100-T104 PolarHBondContact O-N 2.95Å; F100-T104 PolarHBondContact O-OG1 2.91Å; F100-V138 HydrophobicContact CE1-CB 4.4Å; F100-V138 HydrophobicContact CE1-CG1 3.77Å; F100-V138 HydrophobicContact CZ-CB 3.99Å; F100-V138 HydrophobicContact CZ-CG1 3.84Å; F100-V138 HydrophobicContact CZ-CG2 3.82Å; F100-H141 HydrophobicContact CZ-CB 4.5Å; F100-I142 HydrophobicContact CD1-CG1 4.37Å; F100-I142 HydrophobicContact CE1-CD1 4.43Å; F100-I142 HydrophobicContact CE1-CG1 3.93Å; F100-F145 HydrophobicContact CB-CE2 4.07Å; F100-F145 HydrophobicContact CB-CZ 4.08Å; F100-F145 HydrophobicContact CD1-CE2 4.03Å; F100-F145 HydrophobicContact CG-CE2 4Å; F100-F145 HydrophobicContact CG-CZ 4.39Å
101D65.9Low59.8Low63 Ų6362 Ų6234%0.33731%0.31SS..Hα-helixtrans-63.7-41.8175.4-69.4-21.5000110.4R97 Q98 T104 S105R97-D101 WeakPolarHBondContact CG-OD2 3.3Å; R97-D101 IonicContact NE-OD2 3.9Å; R97-D101 WeakPolarHBondContact O-CB 3.19Å; R97-D101 PolarHBondContact O-N 3.35Å; Q98-D101 PolarHBondContact O-N 2.9Å; D101-T104 PolarHBondContact O-N 3.39Å; D101-S105 WeakPolarHBondContact O-CB 3.35Å; D101-S105 PolarHBondContact O-N 2.9Å
102D62.8Low58.7Low85 Ų8565 Ų6546%0.45532%0.319SS..Hα-helixtrans-61.6-50.5176.4-68.6-20.7000111.2Q98 T104 S105 D106Q98-D102 WeakPolarHBondContact O-CB 3.14Å; Q98-D102 PolarHBondContact O-N 2.95Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.37Å; D102-S105 WeakPolarHBondContact O-CB 3.37Å; D102-S105 PolarHBondContact O-N 2.85Å; D102-D106 PolarHBondContact O-N 3.11Å
103V56.5Low57.5Low48 Ų4871.1 Ų71.129%0.29135%0.347SS..Hα-helixtrans-61.3-41.1177169.40000111.4E99 F100 D106 I107E99-V103 VanDerWaalsContact O-CG2 3.31Å; E99-V103 WeakPolarHBondContact O-CG2 3.38Å; E99-V103 PolarHBondContact O-N 3.35Å; F100-V103 PolarHBondContact O-N 2.7Å; V103-D106 PolarHBondContact O-N 3.42Å; V103-I107 HydrophobicContact CG1-CD1 3.9Å; V103-I107 WeakPolarHBondContact O-CD1 3.46Å; V103-I107 VanDerWaalsContact O-CG1 3.23Å; V103-I107 WeakPolarHBondContact O-CG1 3.45Å; V103-I107 PolarHBondContact O-N 3Å
104T58.9Low56.4Low18 Ų1874.3 Ų74.311%0.1136%0.361CS..Hα-helixtrans-67.3-40.3178.3-58.50000111.2F100 D101 D102 I107 N108 V138F100-T104 VanDerWaalsContact O-CB 3.28Å; F100-T104 WeakPolarHBondContact O-CB 3.33Å; F100-T104 PolarHBondContact O-N 2.95Å; F100-T104 PolarHBondContact O-OG1 2.91Å; D101-T104 PolarHBondContact O-N 3.39Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.37Å; T104-I107 PolarHBondContact O-N 3.38Å; T104-N108 WeakPolarHBondContact O-CB 3.16Å; T104-N108 VanDerWaalsContact O-CG 3.29Å; T104-N108 PolarHBondContact O-N 2.94Å; T104-N108 PolarHBondContact O-ND2 3.42Å; T104-V138 HydrophobicContact CG2-CG1 4Å; T104-V138 HydrophobicContact CG2-CG2 4.4Å
105S64Low55.1Low73 Ų7371.2 Ų71.251%0.5136%0.364SS..Hα-helixtrans-63-46.9175.2-177.40000111.2D101 D102 I107 N108 S109D101-S105 WeakPolarHBondContact O-CB 3.35Å; D101-S105 PolarHBondContact O-N 2.9Å; D102-S105 WeakPolarHBondContact O-CB 3.37Å; D102-S105 PolarHBondContact O-N 2.85Å; S105-I107 PolarHBondContact O-N 3.27Å; S105-N108 PolarHBondContact O-N 3.46Å; S105-S109 WeakPolarHBondContact O-CB 3.27Å; S105-S109 PolarHBondContact O-N 3.16Å
106D54.8Low53.9Low89 Ų8976.7 Ų76.748%0.47639%0.388SS..Hα-helixtrans-56-52.4175.1-77.8-10.5000110.3D102 V103 N108 S109 Y110D102-D106 PolarHBondContact O-N 3.11Å; V103-D106 PolarHBondContact O-N 3.42Å; D106-N108 VanDerWaalsContact C-N 3.34Å; D106-N108 PolarHBondContact O-N 2.88Å; D106-S109 PolarHBondContact O-N 3.32Å; D106-S109 PolarHBondContact O-OG 3.4Å; D106-Y110 HydrophobicContact CB-CE2 4.3Å; D106-Y110 WeakPolarHBondContact O-CD2 3.41Å; D106-Y110 WeakPolarHBondContact O-CE2 3.44Å; D106-Y110 PolarHBondContact O-N 2.61Å
107I50.8Low52.8Low52 Ų5282.3 Ų82.327%0.26741%0.413SS..Hα-helixtrans-56-47.1176.7-68.9166.3000111.3L16 V103 T104 S105 S109 Y110 V111 L134L16-I107 HydrophobicContact CD2-CD1 3.5Å; V103-I107 HydrophobicContact CG1-CD1 3.9Å; V103-I107 WeakPolarHBondContact O-CD1 3.46Å; V103-I107 VanDerWaalsContact O-CG1 3.23Å; V103-I107 WeakPolarHBondContact O-CG1 3.45Å; V103-I107 PolarHBondContact O-N 3Å; T104-I107 PolarHBondContact O-N 3.38Å; S105-I107 PolarHBondContact O-N 3.27Å; I107-S109 PolarHBondContact O-N 3.49Å; I107-Y110 PolarHBondContact O-N 2.95Å; I107-V111 WeakPolarHBondContact O-CG2 3.32Å; I107-V111 PolarHBondContact O-N 3.44Å; I107-L134 HydrophobicContact CG2-CD2 4.28Å
108N53.9Low51.5Low41 Ų4184.9 Ų84.922%0.21944%0.439CS..Hα-helixtrans-65.5-37.6179.7-78.2-33000112.4T104 S105 D106 Y110 V111 Y112T104-N108 WeakPolarHBondContact O-CB 3.16Å; T104-N108 VanDerWaalsContact O-CG 3.29Å; T104-N108 PolarHBondContact O-N 2.94Å; T104-N108 PolarHBondContact O-ND2 3.42Å; S105-N108 PolarHBondContact O-N 3.46Å; D106-N108 VanDerWaalsContact C-N 3.34Å; D106-N108 PolarHBondContact O-N 2.88Å; N108-Y110 PolarHBondContact O-N 2.86Å; N108-V111 WeakPolarHBondContact O-CB 3.3Å; N108-V111 PolarHBondContact O-N 3.45Å; N108-Y112 HydrophobicContact CB-CD2 4.41Å; N108-Y112 VanDerWaalsContact O-CD2 3.31Å; N108-Y112 WeakPolarHBondContact O-CD2 3.29Å; N108-Y112 PolarHBondContact O-N 3.35Å
109S53.8Low49.7Very low49 Ų4983.9 Ų83.934%0.34344%0.441SS..Hα-helixtrans-61.3-35.4178.379.40000111.9S105 D106 I107 V111S105-S109 WeakPolarHBondContact O-CB 3.27Å; S105-S109 PolarHBondContact O-N 3.16Å; D106-S109 PolarHBondContact O-N 3.32Å; D106-S109 PolarHBondContact O-OG 3.4Å; I107-S109 PolarHBondContact O-N 3.49Å; S109-V111 VanDerWaalsContact C-N 3.29Å; S109-V111 PolarHBondContact O-N 2.97Å
110Y42.7Very low48.6Very low122 Ų12283.6 Ų83.648%0.47844%0.437SS..Hα-helixtrans-68.7-28173.8-63.1-56.3000112.9D106 I107 N108 I123D106-Y110 HydrophobicContact CB-CE2 4.3Å; D106-Y110 WeakPolarHBondContact O-CD2 3.41Å; D106-Y110 WeakPolarHBondContact O-CE2 3.44Å; D106-Y110 PolarHBondContact O-N 2.61Å; I107-Y110 PolarHBondContact O-N 2.95Å; N108-Y110 PolarHBondContact O-N 2.86Å; Y110-I123 HydrophobicContact CD1-CD1 3.58Å; Y110-I123 HydrophobicContact CD2-CD1 4.42Å; Y110-I123 HydrophobicContact CE1-CD1 3.14Å; Y110-I123 HydrophobicContact CE1-CG1 4.26Å; Y110-I123 HydrophobicContact CE2-CD1 4.07Å; Y110-I123 HydrophobicContact CG-CD1 4.22Å; Y110-I123 VanDerWaalsContact CZ-CD1 3.41Å
111V41.2Very low47.4Very low28 Ų2891.2 Ų91.217%0.1747%0.47CS..Hα-helixtrans-82.8-35.7-179.7175.50000112.4I107 N108 S109 K130I107-V111 WeakPolarHBondContact O-CG2 3.32Å; I107-V111 PolarHBondContact O-N 3.44Å; N108-V111 WeakPolarHBondContact O-CB 3.3Å; N108-V111 PolarHBondContact O-N 3.45Å; S109-V111 VanDerWaalsContact C-N 3.29Å; S109-V111 PolarHBondContact O-N 2.97Å; V111-K130 HydrophobicContact CG1-CB 4.44Å; V111-K130 HydrophobicContact CG1-CD 4.07Å
112Y41.8Very low46Very low171 Ų17193.5 Ų93.567%0.67148%0.482SS*.Hα-helixtrans-81.3-10.7-175.2-84.6-78.7000115.1N108 F114N108-Y112 HydrophobicContact CB-CD2 4.41Å; N108-Y112 VanDerWaalsContact O-CD2 3.31Å; N108-Y112 WeakPolarHBondContact O-CD2 3.29Å; N108-Y112 PolarHBondContact O-N 3.35Å; Y112-F114 PolarHBondContact O-N 3.39Å; Y112-F114 VanDerWaalsContact O-N 3.13Å
113Q40.1Very low44.7Very low140 Ų14093.9 Ų93.965%0.65448%0.483SS*.THydrogen-bonded Turntrans-72.21179.8-78.7-176.84.700114.9
114F41.1Very low43.9Very low71 Ų7198 Ų9831%0.31150%0.503SS..  trans-146.396.1-176.4-63.2-79.2000111.4Y112 N116 Y120 K121Y112-F114 PolarHBondContact O-N 3.39Å; Y112-F114 VanDerWaalsContact O-N 3.13Å; F114-N116 VanDerWaalsContact C-N 3.33Å; F114-N116 PolarHBondContact O-N 2.8Å; F114-Y120 HydrophobicContact CB-CD1 3.07Å; F114-Y120 HydrophobicContact CB-CE1 3.09Å; F114-Y120 HydrophobicContact CB-CG 4.2Å; F114-Y120 HydrophobicContact CD1-CD1 4.47Å; F114-Y120 AromaticContact CD2-CD1 3.67Å; F114-Y120 HydrophobicContact CD2-CD1 3.67Å; F114-Y120 HydrophobicContact CD2-CE1 4.5Å; F114-Y120 HydrophobicContact CD2-CG 4.13Å; F114-Y120 AromaticContact CG-CD1 3.52Å; F114-Y120 HydrophobicContact CG-CD1 3.52Å; F114-Y120 HydrophobicContact CG-CE1 4.07Å; F114-Y120 HydrophobicContact CG-CG 4.41Å; F114-Y120 WeakPolarHBondContact O-CE1 3.47Å; F114-Y120 PolarHBondContact O-OH 3.03Å; F114-K121 HydrophobicContact CE1-CB 4.47Å; F114-K121 HydrophobicContact CE2-CB 4.38Å; F114-K121 HydrophobicContact CZ-CB 3.83Å
115P41.5Very low42.8Very low118 Ų11898.4 Ų98.477%0.76651%0.511SS*.SBendtrans-74.1-12.7-170.7-19.232.2000116
116N41.6Very low41.4Very low137 Ų13797.4 Ų97.473%0.73350%0.499SS*.SBendtrans-138.614.1-158-82.1-10.2000117.8F114F114-N116 VanDerWaalsContact C-N 3.33Å; F114-N116 PolarHBondContact O-N 2.8Å
117H37.6Very low40.7Very low134 Ų13496.5 Ų96.562%0.6250%0.495SS*.  trans-140.6134.9-179.4-67.1-69.7000112.6T119 Y120H117-T119 PolarHBondContact O-N 2.91Å; H117-Y120 WeakPolarHBondContact O-CE1 3.42Å; H117-Y120 PolarHBondContact O-OH 3Å
118T40.6Very low40Very low139 Ų13997.7 Ų97.785%0.85350%0.504SS*.SBendtrans-60.516.2170.224.40000114.5
119T30.6Very low39.4Very low97 Ų97104 Ų10460%0.59553%0.532SS*.  trans-149.2124.7-173.8-27.70000108.7H117H117-T119 PolarHBondContact O-N 2.91Å
120Y39.2Very low39Very low71 Ų71107.3 Ų107.328%0.27854%0.54SS..  trans-125.9142-178-56.3-52.1000111.9F114 H117F114-Y120 HydrophobicContact CB-CD1 3.07Å; F114-Y120 HydrophobicContact CB-CE1 3.09Å; F114-Y120 HydrophobicContact CB-CG 4.2Å; F114-Y120 HydrophobicContact CD1-CD1 4.47Å; F114-Y120 AromaticContact CD2-CD1 3.67Å; F114-Y120 HydrophobicContact CD2-CD1 3.67Å; F114-Y120 HydrophobicContact CD2-CE1 4.5Å; F114-Y120 HydrophobicContact CD2-CG 4.13Å; F114-Y120 AromaticContact CG-CD1 3.52Å; F114-Y120 HydrophobicContact CG-CD1 3.52Å; F114-Y120 HydrophobicContact CG-CE1 4.07Å; F114-Y120 HydrophobicContact CG-CG 4.41Å; F114-Y120 WeakPolarHBondContact O-CE1 3.47Å; F114-Y120 PolarHBondContact O-OH 3.03Å; H117-Y120 WeakPolarHBondContact O-CE1 3.42Å; H117-Y120 PolarHBondContact O-OH 3Å
121K37.1Very low39.3Very low170 Ų170103.8 Ų103.874%0.73953%0.534SS*.  trans-79.2128.3-163.3-161.9178.4-177.8-178.80112.8F114F114-K121 HydrophobicContact CE1-CB 4.47Å; F114-K121 HydrophobicContact CE2-CB 4.38Å; F114-K121 HydrophobicContact CZ-CB 3.83Å
122L36.4Very low39.5Very low110 Ų110106.7 Ų106.758%0.57656%0.556SS**  trans-10.2123.9166.6-71.279000118.8G125L122-G125 VanDerWaalsContact CG-CA 3.45Å
123I35.5Very low39.9Very low93 Ų93102.8 Ų102.848%0.47755%0.549SS..BIsolated β-bridgetrans-102.9112.2134.7-50.8171.4000105.4Y110 G125Y110-I123 HydrophobicContact CD1-CD1 3.58Å; Y110-I123 HydrophobicContact CD2-CD1 4.42Å; Y110-I123 HydrophobicContact CE1-CD1 3.14Å; Y110-I123 HydrophobicContact CE1-CG1 4.26Å; Y110-I123 HydrophobicContact CE2-CD1 4.07Å; Y110-I123 HydrophobicContact CG-CD1 4.22Å; Y110-I123 VanDerWaalsContact CZ-CD1 3.41Å; I123-G125 PolarHBondContact O-N 3.35Å
124N38.1Very low40.2Very low134 Ų13498.2 Ų98.272%0.71753%0.529SS*.THydrogen-bonded Turntrans54.237.5-177.7-64.1-9.5000116.3
125G36.2Very low40.6Very low27 Ų2798.2 Ų98.228%0.27853%0.53SS..THydrogen-bonded Turntrans90.40.8172.300000116.1L122 I123L122-G125 VanDerWaalsContact CG-CA 3.45Å; I123-G125 PolarHBondContact O-N 3.35Å
126I35.9Very low41.1Very low52 Ų5298.4 Ų98.427%0.26752%0.521SS..BIsolated β-bridgetrans-97.6120.3-169.7-54.1-175.3000111.3V20 V22 V128V20-I126 HydrophobicContact CG1-CG2 4.08Å; V22-I126 HydrophobicContact CB-CG2 4.06Å; V22-I126 HydrophobicContact CG1-CB 4.1Å; V22-I126 HydrophobicContact CG1-CD1 4.04Å; V22-I126 HydrophobicContact CG1-CG1 3.62Å; V22-I126 HydrophobicContact CG1-CG2 3.84Å; V22-I126 HydrophobicContact CG2-CD1 3.89Å; V22-I126 HydrophobicContact CG2-CG1 4.27Å; V22-I126 HydrophobicContact CG2-CG2 3.65Å; I126-V128 HydrophobicContact CG2-CG2 3.99Å
127N38.1Very low41.6Very low71 Ų7193.8 Ų93.838%0.3850%0.499SS..BIsolated β-bridgetrans-81.1130.8168.2-76.8-40.7000110.4
128V37.2Very low42.3Very low76 Ų7687.7 Ų87.746%0.46147%0.471SS..  trans-127.2125.3176.6-173.70000109.7V20 I126V20-V128 HydrophobicContact CG1-CG2 4.2Å; I126-V128 HydrophobicContact CG2-CG2 3.99Å
129Q41.5Very low43Very low174 Ų17485.2 Ų85.281%0.81345%0.453SS*.  trans-101.3139.9173.5-72.6-174.3-8.300111.2S131Q129-S131 PolarHBondContact O-N 2.89Å
130K44.7Very low44.4Very low118 Ų11885.2 Ų85.251%0.51345%0.448SS..  trans-71.7112.5174.3-169.8-174.2-1671690109.3V111V111-K130 HydrophobicContact CG1-CB 4.44Å; V111-K130 HydrophobicContact CG1-CD 4.07Å
131S48.5Very low45.2Very low49 Ų4983.7 Ų83.734%0.34344%0.443SS..  trans-85.4134.6169.3-175.10000110.8Q129 T133 L134Q129-S131 PolarHBondContact O-N 2.89Å; S131-T133 PolarHBondContact O-N 2.87Å; S131-T133 WeakPolarHBondContact OG-CB 3.21Å; S131-T133 PolarHBondContact OG-N 3.14Å; S131-T133 VanDerWaalsContact OG-N 3.09Å; S131-T133 PolarHBondContact OG-OG1 2.9Å; S131-L134 WeakPolarHBondContact O-CB 3.16Å; S131-L134 PolarHBondContact O-N 3.31Å; S131-L134 VanDerWaalsContact O-N 3.13Å
132S46Very low46.1Very low89 Ų8977.7 Ų77.762%0.62242%0.419SS*.Hα-helixtrans-57.6-33.3165.9490000111.5L134 Q135 E136S132-L134 PolarHBondContact O-N 3.47Å; S132-Q135 PolarHBondContact O-N 2.9Å; S132-E136 PolarHBondContact O-N 3.29Å
133T49.6Very low47.3Very low88 Ų8875.4 Ų75.454%0.5441%0.412SS..Hα-helixtrans-66.6-25.7177.767.50000112.9S131 C137S131-T133 PolarHBondContact O-N 2.87Å; S131-T133 WeakPolarHBondContact OG-CB 3.21Å; S131-T133 PolarHBondContact OG-N 3.14Å; S131-T133 VanDerWaalsContact OG-N 3.09Å; S131-T133 PolarHBondContact OG-OG1 2.9Å; T133-C137 WeakPolarHBondContact O-CB 3.12Å; T133-C137 PolarHBondContact O-N 3.44Å
134L47.2Very low48.5Very low44 Ų4474 Ų7423%0.2341%0.405CS..Hα-helixtrans-68.8-45177.3-175.866.4000110.6L16 I107 S131 S132 C137 V138L16-L134 HydrophobicContact CD2-CD1 3.69Å; L16-L134 HydrophobicContact CG-CD1 4.37Å; I107-L134 HydrophobicContact CG2-CD2 4.28Å; S131-L134 WeakPolarHBondContact O-CB 3.16Å; S131-L134 PolarHBondContact O-N 3.31Å; S131-L134 VanDerWaalsContact O-N 3.13Å; S132-L134 PolarHBondContact O-N 3.47Å; L134-C137 PolarHBondContact O-N 3.39Å; L134-V138 WeakPolarHBondContact O-CB 3.44Å; L134-V138 WeakPolarHBondContact O-CG2 3.45Å; L134-V138 PolarHBondContact O-N 2.88Å
135Q49.6Very low49.5Very low71 Ų7167.8 Ų67.833%0.33237%0.371SS..Hα-helixtrans-67.6-40.4179.4-170.565.446.300111.8S132 V138 N139S132-Q135 PolarHBondContact O-N 2.9Å; Q135-V138 PolarHBondContact O-N 3.35Å; Q135-N139 PolarHBondContact NE2-OD1 2.92Å; Q135-N139 VanDerWaalsContact NE2-OD1 3.12Å; Q135-N139 WeakPolarHBondContact O-CB 3.15Å; Q135-N139 PolarHBondContact O-N 3.17Å; Q135-N139 PolarHBondContact O-ND2 3.05Å; Q135-N139 PolarHBondContact O-OD1 3.25Å
136E53.1Low50.7Low122 Ų12270.7 Ų70.757%0.5738%0.381SS*.Hα-helixtrans-62.2-44.2174.7-72.2174.917800111.4S132 N139 I140S132-E136 PolarHBondContact O-N 3.29Å; E136-N139 PolarHBondContact O-N 3.4Å; E136-I140 VanDerWaalsContact O-CG1 3.28Å; E136-I140 WeakPolarHBondContact O-CG1 3.47Å; E136-I140 PolarHBondContact O-N 3.27Å
137C50.8Low52Low40 Ų4075 Ų7527%0.2740%0.404SS..Hα-helixtrans-58.4-50.4173.4-176.70000110.6T133 L134 N139 I140 H141T133-C137 WeakPolarHBondContact O-CB 3.12Å; T133-C137 PolarHBondContact O-N 3.44Å; L134-C137 PolarHBondContact O-N 3.39Å; C137-N139 VanDerWaalsContact C-N 3.34Å; C137-N139 PolarHBondContact O-N 3.12Å; C137-I140 PolarHBondContact O-N 3.35Å; C137-H141 PolarHBondContact O-CD2 3.17Å; C137-H141 PolarHBondContact O-N 3.46Å; C137-H141 PolarHBondContact SG-CD2 2.86Å; C137-H141 PolarHBondContact SG-NE2 3.09Å; C137-H141 VanDerWaalsContact SG-NE2 3.37Å
138V51.7Low52.9Low7 Ų773.3 Ų73.34%0.04239%0.394CS..Hα-helixtrans-54.3-48.7177.5165.40000111.9F100 T104 L134 Q135 I140 H141 I142F100-V138 HydrophobicContact CE1-CB 4.4Å; F100-V138 HydrophobicContact CE1-CG1 3.77Å; F100-V138 HydrophobicContact CZ-CB 3.99Å; F100-V138 HydrophobicContact CZ-CG1 3.84Å; F100-V138 HydrophobicContact CZ-CG2 3.82Å; T104-V138 HydrophobicContact CG2-CG1 4Å; T104-V138 HydrophobicContact CG2-CG2 4.4Å; L134-V138 WeakPolarHBondContact O-CB 3.44Å; L134-V138 WeakPolarHBondContact O-CG2 3.45Å; L134-V138 PolarHBondContact O-N 2.88Å; Q135-V138 PolarHBondContact O-N 3.35Å; V138-I140 PolarHBondContact O-N 3.5Å; V138-H141 PolarHBondContact O-N 3.42Å; V138-I142 HydrophobicContact CG1-CD1 4.05Å; V138-I142 WeakPolarHBondContact O-CG1 3.25Å; V138-I142 PolarHBondContact O-N 3Å
139N55.8Low54Low86 Ų8671.4 Ų71.446%0.4638%0.384SS..Hα-helixtrans-64-40.9-178.5-69.2-12000112.4Q135 E136 C137 H141 I142 S143Q135-N139 PolarHBondContact NE2-OD1 2.92Å; Q135-N139 VanDerWaalsContact NE2-OD1 3.12Å; Q135-N139 WeakPolarHBondContact O-CB 3.15Å; Q135-N139 PolarHBondContact O-N 3.17Å; Q135-N139 PolarHBondContact O-ND2 3.05Å; Q135-N139 PolarHBondContact O-OD1 3.25Å; E136-N139 PolarHBondContact O-N 3.4Å; C137-N139 VanDerWaalsContact C-N 3.34Å; C137-N139 PolarHBondContact O-N 3.12Å; N139-H141 VanDerWaalsContact C-N 3.29Å; N139-H141 PolarHBondContact O-N 3.19Å; N139-I142 PolarHBondContact O-N 3.46Å; N139-S143 PolarHBondContact O-N 2.91Å
140I60.1Low55Low98 Ų9864.8 Ų64.850%0.50336%0.363SS..Hα-helixtrans-59.2-44.2174.8-70165.6000109.9E136 C137 V138 S143 I144E136-I140 VanDerWaalsContact O-CG1 3.28Å; E136-I140 WeakPolarHBondContact O-CG1 3.47Å; E136-I140 PolarHBondContact O-N 3.27Å; C137-I140 PolarHBondContact O-N 3.35Å; V138-I140 PolarHBondContact O-N 3.5Å; I140-S143 PolarHBondContact O-N 3.1Å; I140-S143 PolarHBondContact O-OG 2.79Å; I140-I144 HydrophobicContact CG2-CD1 4.22Å; I140-I144 PolarHBondContact O-N 2.85Å
141H55.5Low55.9Low39 Ų3964.1 Ų64.118%0.18137%0.37CS..Hα-helixtrans-73.5-29.3-176.4-65.1-55.5000114L12 F100 C137 V138 N139 I144 F145L12-H141 HydrophobicContact CD1-CB 4.34Å; L12-H141 WeakPolarHBondContact CD1-CD2 3.26Å; L12-H141 WeakPolarHBondContact CD1-CE1 3.44Å; L12-H141 VanDerWaalsContact CD1-ND1 3.29Å; L12-H141 WeakPolarHBondContact CD1-ND1 3.47Å; L12-H141 WeakPolarHBondContact CD1-NE2 3.13Å; L12-H141 HydrophobicContact CD2-CB 3.7Å; L12-H141 WeakPolarHBondContact CD2-CD2 3.28Å; L12-H141 VanDerWaalsContact CD2-CG 3.49Å; F100-H141 HydrophobicContact CZ-CB 4.5Å; C137-H141 PolarHBondContact O-CD2 3.17Å; C137-H141 PolarHBondContact O-N 3.46Å; C137-H141 PolarHBondContact SG-CD2 2.86Å; C137-H141 PolarHBondContact SG-NE2 3.09Å; C137-H141 VanDerWaalsContact SG-NE2 3.37Å; V138-H141 PolarHBondContact O-N 3.42Å; N139-H141 VanDerWaalsContact C-N 3.29Å; N139-H141 PolarHBondContact O-N 3.19Å; H141-I144 WeakPolarHBondContact O-CB 3.42Å; H141-I144 PolarHBondContact O-N 3.34Å; H141-F145 WeakPolarHBondContact O-CD2 2.87Å; H141-F145 PolarHBondContact O-N 3.43Å
142I57.5Low56.7Low43 Ų4373 Ų7322%0.22140%0.396CS..Hα-helixtrans-58.5-48.4170.1-69.1169.7000111F100 V138 N139 I144 F145 D146F100-I142 HydrophobicContact CD1-CG1 4.37Å; F100-I142 HydrophobicContact CE1-CD1 4.43Å; F100-I142 HydrophobicContact CE1-CG1 3.93Å; V138-I142 HydrophobicContact CG1-CD1 4.05Å; V138-I142 WeakPolarHBondContact O-CG1 3.25Å; V138-I142 PolarHBondContact O-N 3Å; N139-I142 PolarHBondContact O-N 3.46Å; I142-I144 PolarHBondContact O-N 3.34Å; I142-F145 WeakPolarHBondContact O-CB 3.35Å; I142-F145 PolarHBondContact O-N 2.83Å; I142-D146 PolarHBondContact O-N 3.42Å
143S60.2Low57.6Low62 Ų6270.5 Ų70.543%0.43438%0.379SS..Hα-helixtrans-62.8-30.2179.7700000113.4N139 I140 D146 L147N139-S143 PolarHBondContact O-N 2.91Å; I140-S143 PolarHBondContact O-N 3.1Å; I140-S143 PolarHBondContact O-OG 2.79Å; S143-D146 PolarHBondContact O-N 3.23Å; S143-L147 PolarHBondContact O-N 3.33Å
144I62.2Low58.3Low64 Ų6472.8 Ų72.833%0.32839%0.392SS..Hα-helixtrans-65.4-40.3174.7-71.3167.9000110.6I140 H141 I142 D146 L147 L148I140-I144 HydrophobicContact CG2-CD1 4.22Å; I140-I144 PolarHBondContact O-N 2.85Å; H141-I144 WeakPolarHBondContact O-CB 3.42Å; H141-I144 PolarHBondContact O-N 3.34Å; I142-I144 PolarHBondContact O-N 3.34Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 2.74Å; I144-L147 PolarHBondContact O-N 3.31Å; I144-L148 HydrophobicContact CG2-CD1 3.46Å; I144-L148 VanDerWaalsContact CG2-CD1 3.46Å; I144-L148 HydrophobicContact CG2-CG 4.23Å; I144-L148 WeakPolarHBondContact O-CD1 3.43Å; I144-L148 WeakPolarHBondContact O-CG 3.31Å; I144-L148 PolarHBondContact O-N 3.01Å; I144-L148 VanDerWaalsContact O-N 3.12Å
145F58.7Low59.2Low3 Ų372.7 Ų72.71%0.01339%0.392CS..Hα-helixtrans-60.6-40.5177.5-72-69.8000112.7L9 V93 L96 R97 F100 H141 I142 L147 L148 S149L9-F145 HydrophobicContact CD1-CE1 3.61Å; L9-F145 HydrophobicContact CD1-CZ 4.09Å; L9-F145 HydrophobicContact CD2-CE1 3.67Å; L9-F145 HydrophobicContact CD2-CE2 4.08Å; L9-F145 HydrophobicContact CD2-CZ 3.22Å; L9-F145 HydrophobicContact CG-CE1 4.25Å; L9-F145 HydrophobicContact CG-CZ 4.27Å; V93-F145 HydrophobicContact CG1-CB 4.05Å; V93-F145 HydrophobicContact CG1-CD1 4.05Å; V93-F145 WeakPolarHBondContact CG1-O 3.21Å; L96-F145 HydrophobicContact CB-CE1 3.7Å; L96-F145 HydrophobicContact CB-CZ 4.29Å; R97-F145 HydrophobicContact CB-CD1 4.32Å; R97-F145 HydrophobicContact CB-CD2 4.33Å; R97-F145 HydrophobicContact CB-CE1 4.49Å; R97-F145 HydrophobicContact CB-CG 4.2Å; F100-F145 HydrophobicContact CB-CE2 4.07Å; F100-F145 HydrophobicContact CB-CZ 4.08Å; F100-F145 HydrophobicContact CD1-CE2 4.03Å; F100-F145 HydrophobicContact CG-CE2 4Å; F100-F145 HydrophobicContact CG-CZ 4.39Å; H141-F145 WeakPolarHBondContact O-CD2 2.87Å; H141-F145 PolarHBondContact O-N 3.43Å; I142-F145 WeakPolarHBondContact O-CB 3.35Å; I142-F145 PolarHBondContact O-N 2.83Å; F145-L147 VanDerWaalsContact C-N 3.34Å; F145-L147 PolarHBondContact O-N 2.96Å; F145-L148 PolarHBondContact O-N 2.93Å; F145-L148 VanDerWaalsContact O-N 3.17Å; F145-S149 PolarHBondContact O-N 3.2Å; F145-S149 PolarHBondContact O-OG 2.79Å; F145-S149 VanDerWaalsContact O-OG 3.14Å
146D61Low59.6Low89 Ų8971.7 Ų71.748%0.47639%0.391SS..Hα-helixtrans-64.2-40.7178.7-68.9-25.5000111.4R97 I142 S143 I144 L148 S149R97-D146 IonicContact CZ-OD1 3.64Å; R97-D146 IonicContact NH1-OD1 2.74Å; R97-D146 PolarHBondContact NH1-OD1 3.49Å; R97-D146 IonicContact NH1-OD2 3.81Å; I142-D146 PolarHBondContact O-N 3.42Å; S143-D146 PolarHBondContact O-N 3.23Å; I144-D146 VanDerWaalsContact C-N 3.33Å; I144-D146 PolarHBondContact O-N 2.74Å; D146-L148 VanDerWaalsContact C-N 3.27Å; D146-L148 PolarHBondContact O-N 3.4Å; D146-S149 PolarHBondContact O-N 2.92Å
147L63.5Low59.8Low142 Ų14270.8 Ų70.874%0.74341%0.405SS*.Hα-helixtrans-62.6-32.8174.6-68.9170.3000112.9S143 I144 F145S143-L147 PolarHBondContact O-N 3.33Å; I144-L147 PolarHBondContact O-N 3.31Å; F145-L147 VanDerWaalsContact C-N 3.34Å; F145-L147 PolarHBondContact O-N 2.96Å
148L57.3Low60.2Low36 Ų3670.2 Ų70.219%0.18840%0.401CS..Hα-helixtrans-82.9-22.3-174.2-67.3159.1000113.8L5 K89 V93 I144 F145 D146 G150L5-L148 HydrophobicContact CD1-CD1 3.04Å; L5-L148 HydrophobicContact CD1-CD2 4.05Å; L5-L148 HydrophobicContact CD1-CG 4.13Å; L5-L148 HydrophobicContact CD2-CB 4.28Å; L5-L148 HydrophobicContact CD2-CD1 3.65Å; L5-L148 HydrophobicContact CD2-CD2 4.1Å; L5-L148 HydrophobicContact CD2-CG 4.24Å; L5-L148 HydrophobicContact CG-CD1 3.92Å; K89-L148 WeakPolarHBondContact CE-O 3.49Å; K89-L148 PolarHBondContact NZ-O 2.88Å; V93-L148 HydrophobicContact CG1-CB 4.46Å; V93-L148 HydrophobicContact CG2-CB 3.71Å; I144-L148 HydrophobicContact CG2-CD1 3.46Å; I144-L148 VanDerWaalsContact CG2-CD1 3.46Å; I144-L148 HydrophobicContact CG2-CG 4.23Å; I144-L148 WeakPolarHBondContact O-CD1 3.43Å; I144-L148 WeakPolarHBondContact O-CG 3.31Å; I144-L148 PolarHBondContact O-N 3.01Å; I144-L148 VanDerWaalsContact O-N 3.12Å; F145-L148 PolarHBondContact O-N 2.93Å; F145-L148 VanDerWaalsContact O-N 3.17Å; D146-L148 VanDerWaalsContact C-N 3.27Å; D146-L148 PolarHBondContact O-N 3.4Å; L148-G150 PolarHBondContact O-N 2.75Å; L148-G150 VanDerWaalsContact O-N 3.11Å
149S59.8Low60.7Low36 Ų3679.5 Ų79.525%0.25244%0.441SS..THydrogen-bonded Turntrans-56.6-26.1177.2-63.10000111.7Q90 V93 F145 D146Q90-S149 WeakPolarHBondContact CG-O 2.88Å; Q90-S149 PolarHBondContact NE2-O 2.92Å; V93-S149 VanDerWaalsContact CG1-OG 3.3Å; V93-S149 WeakPolarHBondContact CG1-OG 2.87Å; F145-S149 PolarHBondContact O-N 3.2Å; F145-S149 PolarHBondContact O-OG 2.79Å; F145-S149 VanDerWaalsContact O-OG 3.14Å; D146-S149 PolarHBondContact O-N 2.92Å
150G62.5Low61.3Low35 Ų3577.1 Ų77.136%0.36143%0.428SS..  trans61-175.6174.100000113.6Q90 L148Q90-G150 PolarHBondContact NE2-O 3.46Å; L148-G150 PolarHBondContact O-N 2.75Å; L148-G150 VanDerWaalsContact O-N 3.11Å
151P63.9Low61.8Low103 Ų10378.3 Ų78.367%0.66944%0.436SS*.  trans-70.5138.1-177.628.2-33.2000111.6S86 Q90 C153S86-P151 PolarHBondContact OG-O 3.5Å; S86-P151 VanDerWaalsContact OG-O 3.09Å; Q90-P151 VanDerWaalsContact NE2-C 3.31Å; Q90-P151 PolarHBondContact NE2-O 2.95Å; P151-C153 PolarHBondContact O-N 3.23Å
152R64.2Low63.1Low235 Ų23584 Ų8489%0.88746%0.462SS*.  trans-62.1134.8167.1-66.3-176.4-176.2176.42108.5
153C66Low64.1Low37 Ų3783.3 Ų83.325%0.2546%0.459CS..  trans-126.3157169.872.80000108.8C83 P151C83-C153 WeakPolarHBondContact CA-SG 3.24Å; C83-C153 HydrophobicContact CB-CB 3.77Å; C83-C153 WeakPolarHBondContact CB-SG 3.38Å; C83-C153 PolarHBondContact O-SG 3.11Å; C83-C153 VanDerWaalsContact SG-C 3.6Å; C83-C153 WeakPolarHBondContact SG-CB 3.44Å; C83-C153 CovalentContact SG-SG 2.04Å; C83-C153 PolarHBondContact SG-SG 2.9Å; P151-C153 PolarHBondContact O-N 3.23Å
154V63.6Low64.5Low136 Ų13681.1 Ų81.182%0.82444%0.443SS*.  trans-114.1127.9173.6-178.60000106.2C83C83-V154 VanDerWaalsContact SG-C 3.58Å
155L65.6Low65Low42 Ų4281.2 Ų81.222%0.2245%0.45CS..PPolyproline II helixtrans-62.6133174.5-70.4169.5000108.1Y80 C83 L84 L87 I168Y80-L155 HydrophobicContact CD1-CD2 4.48Å; Y80-L155 HydrophobicContact CD2-CD2 4.03Å; Y80-L155 HydrophobicContact CE1-CD2 4.27Å; Y80-L155 HydrophobicContact CE2-CB 4.31Å; Y80-L155 HydrophobicContact CE2-CD2 3.83Å; Y80-L155 HydrophobicContact CE2-CG 4.45Å; Y80-L155 HydrophobicContact CG-CD2 4.34Å; C83-L155 HydrophobicContact CB-CD2 4.07Å; L84-L155 HydrophobicContact CB-CD2 4.23Å; L87-L155 HydrophobicContact CD1-CD1 4.03Å; L87-L155 HydrophobicContact CD1-CD2 4.28Å; L87-L155 HydrophobicContact CD1-CG 3.79Å; L155-I168 HydrophobicContact CD1-CD1 3.87Å; L155-I168 HydrophobicContact CD1-CG1 4.38Å
156P59.3Low66.2Low50 Ų5086.8 Ų86.833%0.32547%0.47SS..PPolyproline II helixtrans-60.8146.8173.727.1-32.4000109T76 Y80 S158T76-P156 HydrophobicContact CG2-CG 4.31Å; Y80-P156 HydrophobicContact CD2-CG 3.85Å; P156-S158 PolarHBondContact O-N 3.29Å; P156-S158 VanDerWaalsContact O-N 3.14Å
157A56.3Low67Low103 Ų10382.6 Ų82.685%0.85145%0.448SS*.PPolyproline II helixtrans-57.5121.5177.300000109.2
158S59.6Low67.5Low28 Ų2877.9 Ų77.920%0.19642%0.423CS..PPolyproline II helixtrans-78.7147.3174.3-170.90000109.3P156 N160 T164P156-S158 PolarHBondContact O-N 3.29Å; P156-S158 VanDerWaalsContact O-N 3.14Å; S158-N160 VanDerWaalsContact OG-C 3.27Å; S158-N160 PolarHBondContact OG-N 3.2Å; S158-N160 PolarHBondContact OG-O 3.36Å; S158-T164 WeakPolarHBondContact CB-OG1 3.43Å; S158-T164 PolarHBondContact OG-OG1 2.91Å
159K61.9Low68.5Low202 Ų20278.9 Ų78.988%0.87843%0.431SS*.SBendtrans-80.3-12.6164.3-68.9-176.3179.5176.70111.8
160N68.3Low69.6Low36 Ų3677.9 Ų77.919%0.19342%0.423CS..  trans-131.492.4-178.8-175.1-17.5000109.5E70 S158 E162 D163 T164E70-N160 VanDerWaalsContact CD-ND2 3.3Å; E70-N160 PolarHBondContact OE1-ND2 3.38Å; E70-N160 WeakPolarHBondContact OE2-CB 3.33Å; E70-N160 PolarHBondContact OE2-ND2 2.88Å; S158-N160 VanDerWaalsContact OG-C 3.27Å; S158-N160 PolarHBondContact OG-N 3.2Å; S158-N160 PolarHBondContact OG-O 3.36Å; N160-E162 VanDerWaalsContact C-N 3.26Å; N160-E162 PolarHBondContact O-N 3.22Å; N160-E162 PolarHBondContact OD1-N 3.36Å; N160-D163 PolarHBondContact ND2-OD2 3.47Å; N160-D163 PolarHBondContact OD1-N 3.48Å; N160-T164 WeakPolarHBondContact O-CB 3.33Å; N160-T164 PolarHBondContact O-N 2.92Å; N160-T164 PolarHBondContact O-OG1 3.06Å
161D71.8Confident70.3Confident124 Ų12477.2 Ų77.266%0.66341%0.412SS*.Hα-helixtrans-67.1-27-177.9-71.4-28000112.5S165D161-S165 WeakPolarHBondContact O-CB 3.43Å; D161-S165 PolarHBondContact O-N 3.1Å
162E81.1Confident70.9Confident158 Ų15875.9 Ų75.974%0.73840%0.395SS*.Hα-helixtrans-69.6-50.8-178-174.6173.7178.800111.3N160 T164 S165 R166N160-E162 VanDerWaalsContact C-N 3.26Å; N160-E162 PolarHBondContact O-N 3.22Å; N160-E162 PolarHBondContact OD1-N 3.36Å; E162-T164 VanDerWaalsContact C-N 3.34Å; E162-T164 PolarHBondContact O-N 2.9Å; E162-S165 PolarHBondContact O-N 3.44Å; E162-R166 WeakPolarHBondContact O-CB 3.27Å; E162-R166 PolarHBondContact O-N 3.37Å
163D78.4Confident71.9Confident28 Ų2871.4 Ų71.415%0.1538%0.379CS..Hα-helixtrans-67-37.6179.8-80.5-45.7000112.2Q63 I67 N160 R166 L167Q63-D163 VanDerWaalsContact NE2-CG 3.32Å; Q63-D163 PolarHBondContact NE2-O 3.02Å; Q63-D163 PolarHBondContact NE2-OD1 2.97Å; I67-D163 HydrophobicContact CG1-CB 3.99Å; N160-D163 PolarHBondContact ND2-OD2 3.47Å; N160-D163 PolarHBondContact OD1-N 3.48Å; D163-R166 PolarHBondContact O-N 3.29Å; D163-L167 WeakPolarHBondContact O-CB 3.4Å; D163-L167 PolarHBondContact O-N 3.1Å
164T69.7Low72.7Confident17 Ų1771.9 Ų71.910%0.10438%0.376CS..Hα-helixtrans-60.3-48.3171.1-720000111.5Y80 S158 N160 E162 R166 L167 I168Y80-T164 HydrophobicContact CE2-CG2 4.16Å; Y80-T164 WeakPolarHBondContact OH-CG2 3.31Å; S158-T164 WeakPolarHBondContact CB-OG1 3.43Å; S158-T164 PolarHBondContact OG-OG1 2.91Å; N160-T164 WeakPolarHBondContact O-CB 3.33Å; N160-T164 PolarHBondContact O-N 2.92Å; N160-T164 PolarHBondContact O-OG1 3.06Å; E162-T164 VanDerWaalsContact C-N 3.34Å; E162-T164 PolarHBondContact O-N 2.9Å; T164-R166 VanDerWaalsContact C-N 3.34Å; T164-R166 PolarHBondContact O-N 3.26Å; T164-L167 PolarHBondContact O-N 3.33Å; T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 VanDerWaalsContact O-CG1 3.26Å; T164-I168 WeakPolarHBondContact O-CG1 3.48Å; T164-I168 PolarHBondContact O-N 3.17Å
165S72.6Confident73.2Confident66 Ų6667.2 Ų67.246%0.46234%0.344SS..Hα-helixtrans-62.9-40177.7-1770000112.2D161 E162 I168 T169D161-S165 WeakPolarHBondContact O-CB 3.43Å; D161-S165 PolarHBondContact O-N 3.1Å; E162-S165 PolarHBondContact O-N 3.44Å; S165-I168 PolarHBondContact O-N 3.3Å; S165-T169 WeakPolarHBondContact O-CB 3.27Å; S165-T169 PolarHBondContact O-N 3.36Å; S165-T169 PolarHBondContact O-OG1 3.25Å
166R83.2Confident73.8Confident119 Ų11968.5 Ų68.545%0.44935%0.351SS..Hα-helixtrans-62.3-47174.7-178.6171.3175.5179.5-1.1111.3E59 Q63 E162 D163 T164 I168 T169 L170E59-R166 IonicContact OE1-CZ 3.8Å; E59-R166 IonicContact OE1-NH2 3.76Å; E59-R166 PolarHBondContact OE1-NH2 3.25Å; Q63-R166 HydrophobicContact CG-CG 4.45Å; Q63-R166 VanDerWaalsContact OE1-CD 3.23Å; E162-R166 WeakPolarHBondContact O-CB 3.27Å; E162-R166 PolarHBondContact O-N 3.37Å; D163-R166 PolarHBondContact O-N 3.29Å; T164-R166 VanDerWaalsContact C-N 3.34Å; T164-R166 PolarHBondContact O-N 3.26Å; R166-I168 PolarHBondContact O-N 3.47Å; R166-T169 WeakPolarHBondContact O-CB 3.3Å; R166-T169 PolarHBondContact O-N 3.27Å; R166-L170 HydrophobicContact CG-CD1 4.05Å; R166-L170 HydrophobicContact CG-CG 4.42Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.16Å; R166-L170 PolarHBondContact O-N 3.44Å
167L79.4Confident74.9Confident1 Ų166.8 Ų66.81%0.00534%0.339CS..Hα-helixtrans-59.8-46.7176.7179.654.8000111.3I60 Q63 I64 I67 Y80 L84 D163 T164 T169 L170 V171I60-L167 HydrophobicContact CG2-CD1 3.95Å; Q63-L167 HydrophobicContact CB-CD1 4.23Å; Q63-L167 HydrophobicContact CG-CB 3.7Å; Q63-L167 HydrophobicContact CG-CD1 4.26Å; Q63-L167 HydrophobicContact CG-CG 4.46Å; I64-L167 HydrophobicContact CG1-CD1 4.04Å; I64-L167 HydrophobicContact CG1-CD2 3.99Å; I67-L167 HydrophobicContact CD1-CB 3.81Å; I67-L167 HydrophobicContact CD1-CD2 3.45Å; I67-L167 VanDerWaalsContact CD1-CD2 3.45Å; I67-L167 HydrophobicContact CD1-CG 4.25Å; Y80-L167 HydrophobicContact CD1-CD2 4.21Å; Y80-L167 HydrophobicContact CE1-CD2 3.55Å; L84-L167 HydrophobicContact CD2-CD1 4.17Å; L84-L167 HydrophobicContact CD2-CD2 3.81Å; L84-L167 HydrophobicContact CD2-CG 3.56Å; D163-L167 WeakPolarHBondContact O-CB 3.4Å; D163-L167 PolarHBondContact O-N 3.1Å; T164-L167 PolarHBondContact O-N 3.33Å; L167-T169 VanDerWaalsContact C-N 3.31Å; L167-T169 PolarHBondContact O-N 3.42Å; L167-L170 PolarHBondContact O-N 2.87Å; L167-V171 HydrophobicContact CD1-CG2 4.08Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 2.85Å
168I73.3Confident75.9Confident44 Ų4462.8 Ų62.823%0.22630%0.304CS..Hα-helixtrans-56.2-48.4176-70165.8000110.4L84 L155 T164 S165 R166 L170 V171 F172L84-I168 HydrophobicContact CD1-CG1 3.88Å; L155-I168 HydrophobicContact CD1-CD1 3.87Å; L155-I168 HydrophobicContact CD1-CG1 4.38Å; T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 VanDerWaalsContact O-CG1 3.26Å; T164-I168 WeakPolarHBondContact O-CG1 3.48Å; T164-I168 PolarHBondContact O-N 3.17Å; S165-I168 PolarHBondContact O-N 3.3Å; R166-I168 PolarHBondContact O-N 3.47Å; I168-L170 PolarHBondContact O-N 3.5Å; I168-V171 PolarHBondContact O-N 2.94Å; I168-F172 HydrophobicContact CG2-CD2 3.59Å; I168-F172 HydrophobicContact CG2-CE2 3.5Å; I168-F172 VanDerWaalsContact O-CD2 3.23Å; I168-F172 WeakPolarHBondContact O-CD2 3.34Å; I168-F172 PolarHBondContact O-N 3.48Å
169T78.8Confident76.6Confident57 Ų5764.4 Ų64.435%0.3531%0.308SS..Hα-helixtrans-60.3-46.2179.4-61.50000112.2S165 R166 L167 V171 F172 R173S165-T169 WeakPolarHBondContact O-CB 3.27Å; S165-T169 PolarHBondContact O-N 3.36Å; S165-T169 PolarHBondContact O-OG1 3.25Å; R166-T169 WeakPolarHBondContact O-CB 3.3Å; R166-T169 PolarHBondContact O-N 3.27Å; L167-T169 VanDerWaalsContact C-N 3.31Å; L167-T169 PolarHBondContact O-N 3.42Å; T169-V171 VanDerWaalsContact C-N 3.33Å; T169-V171 PolarHBondContact O-N 3.02Å; T169-F172 PolarHBondContact O-N 3.42Å; T169-R173 HydrophobicContact CG2-CG 4.48Å; T169-R173 WeakPolarHBondContact O-CG 3.47Å; T169-R173 PolarHBondContact O-N 3.34Å
170L83Confident77.4Confident15 Ų1559.3 Ų59.38%0.07929%0.286CS..Hα-helixtrans-60-43.7178.2-72.5168.2000111.4Y56 E59 I60 Q63 R166 L167 I168 R173 K174Y56-L170 HydrophobicContact CD1-CD2 3.98Å; Y56-L170 WeakPolarHBondContact CD1-O 3.33Å; Y56-L170 HydrophobicContact CE1-CD2 3.87Å; E59-L170 HydrophobicContact CB-CD2 4.25Å; E59-L170 HydrophobicContact CG-CD1 3.75Å; E59-L170 HydrophobicContact CG-CD2 3.6Å; E59-L170 HydrophobicContact CG-CG 4.33Å; I60-L170 HydrophobicContact CG1-CB 3.77Å; Q63-L170 HydrophobicContact CB-CD1 3.94Å; Q63-L170 HydrophobicContact CG-CD1 4.19Å; R166-L170 HydrophobicContact CG-CD1 4.05Å; R166-L170 HydrophobicContact CG-CG 4.42Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.16Å; R166-L170 PolarHBondContact O-N 3.44Å; L167-L170 PolarHBondContact O-N 2.87Å; I168-L170 PolarHBondContact O-N 3.5Å; L170-R173 PolarHBondContact O-N 3.39Å; L170-K174 WeakPolarHBondContact O-CB 3.18Å; L170-K174 PolarHBondContact O-N 2.77Å
171V77Confident77.9Confident21 Ų2160.5 Ų60.513%0.12729%0.288CS..Hα-helixtrans-67.1-40.3179.3-176.30000111.7I60 L84 V88 L167 I168 T169 K174 Y175I60-V171 HydrophobicContact CD1-CB 4.45Å; I60-V171 HydrophobicContact CD1-CG2 3.87Å; I60-V171 HydrophobicContact CG1-CG2 4.02Å; I60-V171 HydrophobicContact CG2-CG2 4.27Å; L84-V171 HydrophobicContact CD2-CB 4.47Å; L84-V171 HydrophobicContact CD2-CG2 3.73Å; L84-V171 HydrophobicContact CG-CG2 4.33Å; V88-V171 HydrophobicContact CB-CG1 4.02Å; V88-V171 HydrophobicContact CG1-CG1 3.81Å; V88-V171 HydrophobicContact CG2-CB 4.18Å; V88-V171 HydrophobicContact CG2-CG1 3.31Å; L167-V171 HydrophobicContact CD1-CG2 4.08Å; L167-V171 WeakPolarHBondContact O-CG2 3.46Å; L167-V171 PolarHBondContact O-N 2.85Å; I168-V171 PolarHBondContact O-N 2.94Å; T169-V171 VanDerWaalsContact C-N 3.33Å; T169-V171 PolarHBondContact O-N 3.02Å; V171-K174 PolarHBondContact O-N 3.35Å; V171-Y175 WeakPolarHBondContact O-CB 3.19Å; V171-Y175 PolarHBondContact O-N 2.93Å
172F76.6Confident77.8Confident74 Ų7455.1 Ų55.133%0.32526%0.259SS..Hα-helixtrans-64.1-41.1174.7-84.5-66.2000112.9F91 I168 T169 Y175 D176F91-F172 HydrophobicContact CB-CE1 3.94Å; F91-F172 HydrophobicContact CD1-CE1 4.22Å; F91-F172 HydrophobicContact CD1-CZ 4.38Å; F91-F172 AromaticContact CD2-CE1 3.94Å; F91-F172 HydrophobicContact CD2-CE1 3.94Å; F91-F172 AromaticContact CD2-CZ 3.64Å; F91-F172 HydrophobicContact CD2-CZ 3.64Å; F91-F172 AromaticContact CE2-CZ 3.86Å; F91-F172 HydrophobicContact CE2-CZ 3.86Å; F91-F172 AromaticContact CG-CE1 3.78Å; F91-F172 HydrophobicContact CG-CE1 3.78Å; F91-F172 AromaticContact CG-CZ 3.94Å; F91-F172 HydrophobicContact CG-CZ 3.94Å; F91-F172 HydrophobicContact CZ-CZ 4.32Å; I168-F172 HydrophobicContact CG2-CD2 3.59Å; I168-F172 HydrophobicContact CG2-CE2 3.5Å; I168-F172 VanDerWaalsContact O-CD2 3.23Å; I168-F172 WeakPolarHBondContact O-CD2 3.34Å; I168-F172 PolarHBondContact O-N 3.48Å; T169-F172 PolarHBondContact O-N 3.42Å; F172-Y175 WeakPolarHBondContact O-CB 3.25Å; F172-Y175 PolarHBondContact O-N 2.74Å; F172-D176 PolarHBondContact O-N 3.28Å
173R84Confident77.3Confident142 Ų14254.3 Ų54.354%0.53625%0.253SS..Hα-helixtrans-65.8-44.7176.6-73.2-174.6-176.3-179.70.7112Y56 T169 L170 Y175 D176 I177Y56-R173 HydrophobicContact CD1-CB 4.03Å; Y56-R173 HydrophobicContact CE1-CB 3.33Å; Y56-R173 HydrophobicContact CE1-CG 4.2Å; Y56-R173 WeakPolarHBondContact OH-CD 3.39Å; T169-R173 HydrophobicContact CG2-CG 4.48Å; T169-R173 WeakPolarHBondContact O-CG 3.47Å; T169-R173 PolarHBondContact O-N 3.34Å; L170-R173 PolarHBondContact O-N 3.39Å; R173-Y175 PolarHBondContact O-N 3.24Å; R173-D176 PolarHBondContact O-N 2.79Å; R173-I177 WeakPolarHBondContact O-CD1 3.37Å; R173-I177 WeakPolarHBondContact O-CG1 3.28Å; R173-I177 PolarHBondContact O-N 3.2Å; R173-I177 VanDerWaalsContact O-N 3.11Å
174K83.2Confident77.4Confident47 Ų4754.7 Ų54.720%0.20425%0.254CS..Hα-helixtrans-54.4-44.3172.3-175.5-178.1167.9-1730110.9Y56 E57 I60 L170 V171 I177 V178Y56-K174 HydrophobicContact CD1-CB 4.38Å; Y56-K174 HydrophobicContact CG-CB 4.32Å; E57-K174 VanDerWaalsContact CD-NZ 3.33Å; E57-K174 HydrophobicContact CG-CD 4.07Å; E57-K174 VanDerWaalsContact CG-CE 3.43Å; E57-K174 WeakPolarHBondContact OE1-CE 3.47Å; E57-K174 IonicContact OE1-NZ 2.74Å; E57-K174 PolarHBondContact OE1-NZ 2.63Å; I60-K174 HydrophobicContact CD1-CB 3.96Å; I60-K174 HydrophobicContact CD1-CD 3.52Å; I60-K174 HydrophobicContact CD1-CG 4.35Å; L170-K174 WeakPolarHBondContact O-CB 3.18Å; L170-K174 PolarHBondContact O-N 2.77Å; V171-K174 PolarHBondContact O-N 3.35Å; K174-I177 PolarHBondContact O-N 2.76Å; K174-V178 HydrophobicContact CG-CG2 4.5Å; K174-V178 WeakPolarHBondContact O-CG2 3.32Å; K174-V178 PolarHBondContact O-N 3.17Å
175Y73.6Confident77.5Confident37 Ų3757.5 Ų57.515%0.14527%0.268CS..Hα-helixtrans-61.1-44.9179.1173-104.5000112.6T92 V171 F172 R173 I177 V178 K179T92-Y175 WeakPolarHBondContact CA-OH 3.2Å; T92-Y175 VanDerWaalsContact CB-CE2 3.49Å; T92-Y175 HydrophobicContact CG2-CD2 4.32Å; T92-Y175 HydrophobicContact CG2-CE2 3.31Å; T92-Y175 WeakPolarHBondContact CG2-OH 3.38Å; T92-Y175 WeakPolarHBondContact OG1-CD2 3.29Å; T92-Y175 WeakPolarHBondContact OG1-CE2 3.47Å; V171-Y175 WeakPolarHBondContact O-CB 3.19Å; V171-Y175 PolarHBondContact O-N 2.93Å; F172-Y175 WeakPolarHBondContact O-CB 3.25Å; F172-Y175 PolarHBondContact O-N 2.74Å; R173-Y175 PolarHBondContact O-N 3.24Å; Y175-I177 VanDerWaalsContact C-N 3.3Å; Y175-I177 PolarHBondContact O-N 2.58Å; Y175-V178 PolarHBondContact O-N 3.46Å; Y175-K179 WeakPolarHBondContact O-CB 3.2Å; Y175-K179 PolarHBondContact O-N 3.29Å
176D78.3Confident77.2Confident69 Ų6954.9 Ų54.937%0.36925%0.249SC..Hα-helixtrans-60.3-39176.6-176.453.3000112.3F172 R173 K179 K180F172-D176 PolarHBondContact O-N 3.28Å; R173-D176 PolarHBondContact O-N 2.79Å; D176-K179 WeakPolarHBondContact O-CB 3.25Å; D176-K179 PolarHBondContact O-N 3.42Å; D176-K180 WeakPolarHBondContact O-CG 3.43Å; D176-K180 PolarHBondContact O-N 3.36Å; D176-K180 VanDerWaalsContact OD2-CE 3.24Å; D176-K180 WeakPolarHBondContact OD2-CE 3.4Å; D176-K180 IonicContact OD2-NZ 2.7Å; D176-K180 PolarHBondContact OD2-NZ 3.27Å
177I83.8Confident76.5Confident15 Ų1550.9 Ų50.98%0.07724%0.238CC..Hα-helixtrans-65.6-45.9174.9-60.2155.7000110.7D49 D52 I53 Y56 R173 K174 Y175 K179 K180 Y181D49-I177 HydrophobicContact CB-CG2 4.18Å; D49-I177 WeakPolarHBondContact O-CG2 3.28Å; D52-I177 HydrophobicContact CB-CD1 3.84Å; D52-I177 HydrophobicContact CB-CG1 4.37Å; D52-I177 HydrophobicContact CB-CG2 3.84Å; I53-I177 HydrophobicContact CD1-CG2 4.3Å; I53-I177 HydrophobicContact CG1-CB 4.38Å; I53-I177 HydrophobicContact CG1-CG2 3.69Å; Y56-I177 HydrophobicContact CD2-CD1 3.46Å; Y56-I177 VanDerWaalsContact CD2-CD1 3.46Å; Y56-I177 HydrophobicContact CE2-CD1 3.53Å; Y56-I177 HydrophobicContact CG-CD1 4.18Å; R173-I177 WeakPolarHBondContact O-CD1 3.37Å; R173-I177 WeakPolarHBondContact O-CG1 3.28Å; R173-I177 PolarHBondContact O-N 3.2Å; R173-I177 VanDerWaalsContact O-N 3.11Å; K174-I177 PolarHBondContact O-N 2.76Å; Y175-I177 VanDerWaalsContact C-N 3.3Å; Y175-I177 PolarHBondContact O-N 2.58Å; I177-K179 PolarHBondContact O-N 2.78Å; I177-K180 PolarHBondContact O-N 3.15Å; I177-K180 VanDerWaalsContact O-N 3.15Å; I177-Y181 WeakPolarHBondContact O-CB 3.49Å; I177-Y181 PolarHBondContact O-N 2.77Å
178V77Confident76.5Confident19 Ų1953 Ų5312%0.11525%0.248CC..Hα-helixtrans-59.3-38.2176.2171.40000111.2L6 I53 K174 Y175 N182L6-V178 HydrophobicContact CD1-CG1 3.96Å; I53-V178 HydrophobicContact CD1-CG2 3.9Å; I53-V178 HydrophobicContact CG1-CG2 3.88Å; K174-V178 HydrophobicContact CG-CG2 4.5Å; K174-V178 WeakPolarHBondContact O-CG2 3.32Å; K174-V178 PolarHBondContact O-N 3.17Å; Y175-V178 PolarHBondContact O-N 3.46Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.38Å; V178-N182 WeakPolarHBondContact O-CB 3.36Å; V178-N182 PolarHBondContact O-N 3.15Å; V178-N182 PolarHBondContact O-ND2 3.05Å
179K73.1Confident76.3Confident62 Ų6257 Ų5727%0.2726%0.26SS..Hα-helixtrans-62.3-47.7175.1-178-177.1176.3-176.70111.5E99 Y175 D176 I177 N182 K183E99-K179 VanDerWaalsContact CD-CE 3.45Å; E99-K179 WeakPolarHBondContact OE1-CE 3.09Å; E99-K179 IonicContact OE1-NZ 2.67Å; E99-K179 PolarHBondContact OE1-NZ 3.01Å; E99-K179 IonicContact OE2-NZ 3.36Å; Y175-K179 WeakPolarHBondContact O-CB 3.2Å; Y175-K179 PolarHBondContact O-N 3.29Å; D176-K179 WeakPolarHBondContact O-CB 3.25Å; D176-K179 PolarHBondContact O-N 3.42Å; I177-K179 PolarHBondContact O-N 2.78Å; K179-N182 PolarHBondContact O-N 3.24Å; K179-K183 PolarHBondContact O-N 2.86Å; K179-K183 VanDerWaalsContact O-N 3.09Å
180K79.6Confident75.7Confident95 Ų9557.5 Ų57.541%0.41326%0.257SS..Hα-helixtrans-61-46.8175.4-71.7166.5178162.40112.1D176 I177 N182 K183 H184D176-K180 WeakPolarHBondContact O-CG 3.43Å; D176-K180 PolarHBondContact O-N 3.36Å; D176-K180 VanDerWaalsContact OD2-CE 3.24Å; D176-K180 WeakPolarHBondContact OD2-CE 3.4Å; D176-K180 IonicContact OD2-NZ 2.7Å; D176-K180 PolarHBondContact OD2-NZ 3.27Å; I177-K180 PolarHBondContact O-N 3.15Å; I177-K180 VanDerWaalsContact O-N 3.15Å; K180-N182 VanDerWaalsContact C-N 3.31Å; K180-N182 PolarHBondContact O-N 3.39Å; K180-K183 WeakPolarHBondContact O-CB 3.38Å; K180-K183 PolarHBondContact O-N 3.42Å; K180-K183 VanDerWaalsContact O-N 3.11Å; K180-H184 PolarHBondContact O-N 3.29Å; K180-H184 PolarHBondContact O-ND1 3.24Å
181Y79Confident74.9Confident61 Ų6157.1 Ų57.124%0.23926%0.255CS..Hα-helixtrans-53.3-48.2176.4-178.4-97.3000111.8L46 D49 Q50 I53 I177 H184 L185L46-Y181 HydrophobicContact CB-CE2 4.46Å; L46-Y181 HydrophobicContact CD2-CD2 3.81Å; L46-Y181 HydrophobicContact CD2-CE2 3.68Å; L46-Y181 HydrophobicContact CD2-CG 4.44Å; D49-Y181 HydrophobicContact CB-CD2 3.71Å; D49-Y181 HydrophobicContact CB-CG 4.34Å; D49-Y181 VanDerWaalsContact OD2-CA 3.29Å; D49-Y181 WeakPolarHBondContact OD2-CA 3.34Å; D49-Y181 PolarHBondContact OD2-N 2.94Å; Q50-Y181 HydrophobicContact CB-CE2 4.19Å; I53-Y181 HydrophobicContact CD1-CD2 4.35Å; I53-Y181 HydrophobicContact CD1-CG 4.07Å; I177-Y181 WeakPolarHBondContact O-CB 3.49Å; I177-Y181 PolarHBondContact O-N 2.77Å; Y181-H184 PolarHBondContact O-N 3.37Å; Y181-L185 HydrophobicContact CE1-CD2 4.49Å; Y181-L185 WeakPolarHBondContact O-CB 3.28Å; Y181-L185 PolarHBondContact O-N 2.69Å
182N69Low74.5Confident10 Ų1058.1 Ų58.15%0.05326%0.261CS..Hα-helixtrans-64.1-41.9178.9-80.9-59.7000112.4L6 N10 V178 K179 K180 H184 L185 V186L6-N182 HydrophobicContact CD2-CB 4.11Å; L6-N182 WeakPolarHBondContact CD2-ND2 3.4Å; N10-N182 PolarHBondContact ND2-OD1 2.75Å; V178-N182 WeakPolarHBondContact CG1-ND2 3.38Å; V178-N182 WeakPolarHBondContact O-CB 3.36Å; V178-N182 PolarHBondContact O-N 3.15Å; V178-N182 PolarHBondContact O-ND2 3.05Å; K179-N182 PolarHBondContact O-N 3.24Å; K180-N182 VanDerWaalsContact C-N 3.31Å; K180-N182 PolarHBondContact O-N 3.39Å; N182-H184 PolarHBondContact O-N 3.4Å; N182-L185 PolarHBondContact O-N 3.03Å; N182-V186 WeakPolarHBondContact O-CG2 2.9Å; N182-V186 PolarHBondContact O-N 2.81Å
183K71.2Confident74Confident142 Ų14258.7 Ų58.762%0.61727%0.268SS*.Hα-helixtrans-61.4-42.9174.3-177.2178.9-179.6175.50112K179 K180 T187K179-K183 PolarHBondContact O-N 2.86Å; K179-K183 VanDerWaalsContact O-N 3.09Å; K180-K183 WeakPolarHBondContact O-CB 3.38Å; K180-K183 PolarHBondContact O-N 3.42Å; K180-K183 VanDerWaalsContact O-N 3.11Å; K183-T187 WeakPolarHBondContact O-CB 3.16Å; K183-T187 PolarHBondContact O-N 3.12Å; K183-T187 PolarHBondContact O-OG1 3.46Å
184H79.1Confident72.9Confident36 Ų3654.4 Ų54.417%0.16726%0.255CS..Hα-helixtrans-64.6-41.5176-65.1151.8000111.5L42 Y45 L46 D49 K180 Y181 N182 V186 T187 H188L42-H184 HydrophobicContact CD2-CB 4.08Å; Y45-H184 AromaticContact CD2-NE2 3.87Å; L46-H184 HydrophobicContact CD2-CB 3.74Å; L46-H184 HydrophobicContact CG-CB 4Å; D49-H184 IonicContact OD2-CE1 3.89Å; D49-H184 PolarHBondContact OD2-CE1 3.45Å; D49-H184 IonicContact OD2-CG 2.75Å; D49-H184 IonicContact OD2-ND1 4Å; D49-H184 PolarHBondContact OD2-ND1 3.32Å; K180-H184 PolarHBondContact O-N 3.29Å; K180-H184 PolarHBondContact O-ND1 3.24Å; Y181-H184 PolarHBondContact O-N 3.37Å; N182-H184 PolarHBondContact O-N 3.4Å; H184-V186 PolarHBondContact O-N 2.84Å; H184-T187 PolarHBondContact O-N 3.07Å; H184-H188 VanDerWaalsContact O-CB 3.26Å; H184-H188 WeakPolarHBondContact O-CB 3.47Å; H184-H188 PolarHBondContact O-N 3.43Å
185L73.4Confident72.1Confident76 Ų7652.7 Ų52.740%0.39825%0.249SC..Hα-helixtrans-63.7-43179-17267.9000112L46 Y181 N182 H188 R189L46-L185 HydrophobicContact CD2-CB 4.15Å; L46-L185 HydrophobicContact CD2-CD1 4.48Å; Y181-L185 HydrophobicContact CE1-CD2 4.49Å; Y181-L185 WeakPolarHBondContact O-CB 3.28Å; Y181-L185 PolarHBondContact O-N 2.69Å; N182-L185 PolarHBondContact O-N 3.03Å; L185-H188 PolarHBondContact O-N 3.24Å; L185-R189 WeakPolarHBondContact O-CB 3.44Å; L185-R189 PolarHBondContact O-N 3.37Å
186V65.5Low71.9Confident10 Ų1055.4 Ų55.46%0.06127%0.267CS..Hα-helixtrans-61.8-48174.3167.10000111.3N10 L14 N182 H184 H188 R189 F190N10-V186 HydrophobicContact CB-CG2 3.35Å; N10-V186 WeakPolarHBondContact OD1-CG2 3.38Å; L14-V186 HydrophobicContact CD2-CG1 4.19Å; L14-V186 HydrophobicContact CG-CG1 3.99Å; N182-V186 WeakPolarHBondContact O-CG2 2.9Å; N182-V186 PolarHBondContact O-N 2.81Å; H184-V186 PolarHBondContact O-N 2.84Å; V186-H188 VanDerWaalsContact C-N 3.3Å; V186-H188 PolarHBondContact O-N 2.69Å; V186-R189 PolarHBondContact O-N 3.5Å; V186-F190 WeakPolarHBondContact O-CB 3.23Å; V186-F190 PolarHBondContact O-N 3.2Å
187T69.1Low71.2Confident35 Ų3555 Ų5522%0.21526%0.263CS..Hα-helixtrans-63.3-41.1-179.6-53.90000110.7L42 K183 H184 F190 L191L42-T187 HydrophobicContact CD1-CG2 3.8Å; L42-T187 HydrophobicContact CD2-CG2 4.33Å; K183-T187 WeakPolarHBondContact O-CB 3.16Å; K183-T187 PolarHBondContact O-N 3.12Å; K183-T187 PolarHBondContact O-OG1 3.46Å; H184-T187 PolarHBondContact O-N 3.07Å; T187-F190 PolarHBondContact O-N 3.46Å; T187-L191 HydrophobicContact CG2-CD1 4.31Å; T187-L191 WeakPolarHBondContact O-CG 3.45Å; T187-L191 PolarHBondContact O-N 3.02Å
188H78Confident70.2Confident47 Ų4756.3 Ų56.322%0.21827%0.271CS..Hα-helixtrans-59.6-50.5174-179.5-77.6000111L42 L46 H184 L185 V186 F190 L191 V192L42-H188 HydrophobicContact CD1-CB 4.44Å; L46-H188 HydrophobicContact CD1-CB 4.17Å; H184-H188 VanDerWaalsContact O-CB 3.26Å; H184-H188 WeakPolarHBondContact O-CB 3.47Å; H184-H188 PolarHBondContact O-N 3.43Å; L185-H188 PolarHBondContact O-N 3.24Å; V186-H188 VanDerWaalsContact C-N 3.3Å; V186-H188 PolarHBondContact O-N 2.69Å; H188-F190 VanDerWaalsContact C-N 3.32Å; H188-F190 PolarHBondContact O-N 3.21Å; H188-L191 PolarHBondContact O-N 3.18Å; H188-V192 VanDerWaalsContact O-CG2 3.32Å; H188-V192 WeakPolarHBondContact O-CG2 3.31Å; H188-V192 PolarHBondContact O-N 3.03Å
189R70.4Confident69.8Low128 Ų12858.8 Ų58.848%0.48328%0.284SS..Hα-helixtrans-59.4-42.6178.5-173.8173.5-176.5-175.90.9112.2L185 V186 V192 N193L185-R189 WeakPolarHBondContact O-CB 3.44Å; L185-R189 PolarHBondContact O-N 3.37Å; V186-R189 PolarHBondContact O-N 3.5Å; R189-V192 PolarHBondContact O-N 3.25Å; R189-N193 PolarHBondContact O-N 2.79Å
190F66.5Low69.8Low66 Ų6663 Ų6329%0.28930%0.298SS..Hα-helixtrans-60.6-49.3176.6177.8-104.2000111.9L14 V186 T187 H188 V192 N193 I194L14-F190 HydrophobicContact CD2-CB 4.38Å; V186-F190 WeakPolarHBondContact O-CB 3.23Å; V186-F190 PolarHBondContact O-N 3.2Å; T187-F190 PolarHBondContact O-N 3.46Å; H188-F190 VanDerWaalsContact C-N 3.32Å; H188-F190 PolarHBondContact O-N 3.21Å; F190-V192 PolarHBondContact O-N 2.92Å; F190-N193 WeakPolarHBondContact O-CB 3.18Å; F190-N193 PolarHBondContact O-N 3.34Å; F190-I194 HydrophobicContact CD1-CD1 3.92Å; F190-I194 HydrophobicContact CE1-CD1 3.37Å; F190-I194 HydrophobicContact CE1-CG1 4.45Å; F190-I194 HydrophobicContact CE2-CD1 4.34Å; F190-I194 HydrophobicContact CZ-CD1 3.61Å; F190-I194 HydrophobicContact CZ-CG1 4.45Å; F190-I194 PolarHBondContact O-N 3.33Å; F190-I194 VanDerWaalsContact O-N 3.1Å
191L65.4Low69.3Low7 Ų767 Ų674%0.03731%0.31CS..Hα-helixtrans-66.4-35.3179-70.7179.6000113I35 R38 L39 L42 T187 H188 N193 I194 A195I35-L191 HydrophobicContact CG2-CB 4.2Å; I35-L191 HydrophobicContact CG2-CD2 4.5Å; R38-L191 HydrophobicContact CB-CD1 3.74Å; L39-L191 HydrophobicContact CD2-CB 3.69Å; L39-L191 HydrophobicContact CD2-CD1 4.41Å; L39-L191 HydrophobicContact CG-CB 4.09Å; L42-L191 HydrophobicContact CD1-CD1 3.61Å; T187-L191 HydrophobicContact CG2-CD1 4.31Å; T187-L191 WeakPolarHBondContact O-CG 3.45Å; T187-L191 PolarHBondContact O-N 3.02Å; H188-L191 PolarHBondContact O-N 3.18Å; L191-N193 VanDerWaalsContact C-N 3.35Å; L191-I194 HydrophobicContact CD2-CD1 4.47Å; L191-I194 PolarHBondContact O-N 2.88Å; L191-A195 WeakPolarHBondContact O-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.38Å
192V69.3Low68.8Low42 Ų4270 Ų7026%0.25533%0.331SS..Hα-helixtrans-61.8-43.3172.5167.60000110.9L39 H188 R189 F190 I194 A195 N196L39-V192 HydrophobicContact CD1-CG2 4.4Å; L39-V192 HydrophobicContact CD2-CG2 3.89Å; H188-V192 VanDerWaalsContact O-CG2 3.32Å; H188-V192 WeakPolarHBondContact O-CG2 3.31Å; H188-V192 PolarHBondContact O-N 3.03Å; R189-V192 PolarHBondContact O-N 3.25Å; F190-V192 PolarHBondContact O-N 2.92Å; V192-I194 PolarHBondContact O-N 3.12Å; V192-A195 PolarHBondContact O-N 3.31Å; V192-N196 WeakPolarHBondContact O-CB 3.48Å; V192-N196 PolarHBondContact O-N 3.36Å; V192-N196 PolarHBondContact O-ND2 2.98Å
193N65.4Low68.7Low87 Ų8777.4 Ų77.447%0.46538%0.377SS..Hα-helixtrans-61.8-42.8176.8-71.4-9.5000111.8R189 F190 L191 N196 E197R189-N193 PolarHBondContact O-N 2.79Å; F190-N193 WeakPolarHBondContact O-CB 3.18Å; F190-N193 PolarHBondContact O-N 3.34Å; L191-N193 VanDerWaalsContact C-N 3.35Å; N193-N196 PolarHBondContact O-N 3.46Å; N193-E197 PolarHBondContact O-N 3.4Å
194I61.3Low68.5Low51 Ų5174.2 Ų74.226%0.26237%0.365SS..Hα-helixtrans-62-47.8174.7-63.7173.1000110.6I35 F190 L191 V192 N196 E197 V198I35-I194 HydrophobicContact CD1-CB 4.29Å; I35-I194 HydrophobicContact CD1-CG2 3.49Å; I35-I194 VanDerWaalsContact CD1-CG2 3.49Å; F190-I194 HydrophobicContact CD1-CD1 3.92Å; F190-I194 HydrophobicContact CE1-CD1 3.37Å; F190-I194 HydrophobicContact CE1-CG1 4.45Å; F190-I194 HydrophobicContact CE2-CD1 4.34Å; F190-I194 HydrophobicContact CZ-CD1 3.61Å; F190-I194 HydrophobicContact CZ-CG1 4.45Å; F190-I194 PolarHBondContact O-N 3.33Å; F190-I194 VanDerWaalsContact O-N 3.1Å; L191-I194 HydrophobicContact CD2-CD1 4.47Å; L191-I194 PolarHBondContact O-N 2.88Å; V192-I194 PolarHBondContact O-N 3.12Å; I194-N196 VanDerWaalsContact C-N 3.3Å; I194-N196 PolarHBondContact O-N 3.45Å; I194-E197 PolarHBondContact O-N 3.44Å; I194-V198 HydrophobicContact CG2-CG2 4.16Å; I194-V198 WeakPolarHBondContact O-CG2 3.35Å; I194-V198 PolarHBondContact O-N 3.31Å
195A65.7Low68Low11 Ų1176.2 Ų76.29%0.09138%0.375CS..Hα-helixtrans-58.9-41.8179.500000112.1L32 I35 L191 V192 V198 N199L32-A195 HydrophobicContact CD1-CB 4.4Å; I35-A195 HydrophobicContact CG2-CB 4.1Å; L191-A195 WeakPolarHBondContact O-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.38Å; V192-A195 PolarHBondContact O-N 3.31Å; A195-V198 PolarHBondContact O-N 2.98Å; A195-N199 WeakPolarHBondContact O-CB 3.47Å; A195-N199 PolarHBondContact O-N 3.21Å; A195-N199 PolarHBondContact O-ND2 3.31Å
196N69.6Low67.7Low95 Ų9576.2 Ų76.251%0.50837%0.374SS..Hα-helixtrans-64.2-43.3176.9-70.9-16000111.8V192 N193 I194 N199 R200V192-N196 WeakPolarHBondContact O-CB 3.48Å; V192-N196 PolarHBondContact O-N 3.36Å; V192-N196 PolarHBondContact O-ND2 2.98Å; N193-N196 PolarHBondContact O-N 3.46Å; I194-N196 VanDerWaalsContact C-N 3.3Å; I194-N196 PolarHBondContact O-N 3.45Å; N196-N199 PolarHBondContact O-N 3Å; N196-R200 WeakPolarHBondContact O-CB 3.1Å; N196-R200 PolarHBondContact O-N 3.13Å
197E62.9Low67.8Low61 Ų6180.1 Ų80.129%0.28539%0.392SS..Hα-helixtrans-67.4-40.1178.1178.658.2-164.900112.2N193 I194 R200 R201N193-E197 PolarHBondContact O-N 3.4Å; I194-E197 PolarHBondContact O-N 3.44Å; E197-R200 PolarHBondContact O-N 2.61Å; E197-R200 IonicContact OE1-CZ 3.66Å; E197-R200 IonicContact OE1-NE 3.77Å; E197-R200 IonicContact OE1-NH2 2.75Å; E197-R200 PolarHBondContact OE1-NH2 3.34Å; E197-R200 IonicContact OE2-CZ 3.46Å; E197-R200 IonicContact OE2-NE 2.81Å; E197-R200 PolarHBondContact OE2-NE 3Å; E197-R200 IonicContact OE2-NH2 3.24Å; E197-R200 PolarHBondContact OE2-NH2 2.89Å; E197-R201 WeakPolarHBondContact O-CG 2.88Å; E197-R201 PolarHBondContact O-N 3.13Å; E197-R201 VanDerWaalsContact O-N 3.15Å; E197-R201 IonicContact OE1-CZ 3.4Å; E197-R201 IonicContact OE1-NE 2.86Å; E197-R201 PolarHBondContact OE1-NE 3.34Å; E197-R201 IonicContact OE1-NH2 3.05Å; E197-R201 PolarHBondContact OE1-NH2 3.49Å
198V63.4Low67.7Low41 Ų4182.9 Ų82.925%0.24840%0.403CS..Hα-helixtrans-63.2-44.5174.2171.40000110.9L32 I194 A195 R200 R201 N202L32-V198 HydrophobicContact CD1-CG1 4.47Å; I194-V198 HydrophobicContact CG2-CG2 4.16Å; I194-V198 WeakPolarHBondContact O-CG2 3.35Å; I194-V198 PolarHBondContact O-N 3.31Å; A195-V198 PolarHBondContact O-N 2.98Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 3.09Å; V198-R201 PolarHBondContact O-N 3.28Å; V198-N202 PolarHBondContact O-N 3.2Å; V198-N202 PolarHBondContact O-ND2 2.79Å
199N69.5Low67.1Low72 Ų7285.3 Ų85.339%0.38542%0.416SS..Hα-helixtrans-61.7-42.7176.2-73.2-24.3000111.6A195 N196 R201 N202 T203A195-N199 WeakPolarHBondContact O-CB 3.47Å; A195-N199 PolarHBondContact O-N 3.21Å; A195-N199 PolarHBondContact O-ND2 3.31Å; N196-N199 PolarHBondContact O-N 3Å; N199-R201 PolarHBondContact O-N 3.48Å; N199-N202 PolarHBondContact O-N 3.33Å; N199-N202 VanDerWaalsContact O-N 3.1Å; N199-T203 PolarHBondContact O-N 3.28Å; N199-T203 PolarHBondContact O-OG1 3.33Å
200R72.5Confident66.8Low149 Ų14982.3 Ų82.356%0.56241%0.411SS*.Hα-helixtrans-61.1-30.4177.8-168.9-170.869.376.7-0.7113.1N196 E197 V198 T203N196-R200 WeakPolarHBondContact O-CB 3.1Å; N196-R200 PolarHBondContact O-N 3.13Å; E197-R200 PolarHBondContact O-N 2.61Å; E197-R200 IonicContact OE1-CZ 3.66Å; E197-R200 IonicContact OE1-NE 3.77Å; E197-R200 IonicContact OE1-NH2 2.75Å; E197-R200 PolarHBondContact OE1-NH2 3.34Å; E197-R200 IonicContact OE2-CZ 3.46Å; E197-R200 IonicContact OE2-NE 2.81Å; E197-R200 PolarHBondContact OE2-NE 3Å; E197-R200 IonicContact OE2-NH2 3.24Å; E197-R200 PolarHBondContact OE2-NH2 2.89Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 3.09Å; R200-T203 PolarHBondContact O-OG1 3.2Å
201R69.5Low66.8Low179 Ų17983.5 Ų83.568%0.67542%0.42SS*.Hα-helixtrans-80.7-19.6176.8-68.9176.7-172.1-161.81.1113.5E197 V198 N199E197-R201 WeakPolarHBondContact O-CG 2.88Å; E197-R201 PolarHBondContact O-N 3.13Å; E197-R201 VanDerWaalsContact O-N 3.15Å; E197-R201 IonicContact OE1-CZ 3.4Å; E197-R201 IonicContact OE1-NE 2.86Å; E197-R201 PolarHBondContact OE1-NE 3.34Å; E197-R201 IonicContact OE1-NH2 3.05Å; E197-R201 PolarHBondContact OE1-NH2 3.49Å; V198-R201 PolarHBondContact O-N 3.28Å; N199-R201 PolarHBondContact O-N 3.48Å
202N67.4Low67Low125 Ų12589.9 Ų89.967%0.66845%0.452SS*.Hα-helixtrans-97.3-4.6-178.8-68.7-24.9000113.4V198 N199V198-N202 PolarHBondContact O-N 3.2Å; V198-N202 PolarHBondContact O-ND2 2.79Å; N199-N202 PolarHBondContact O-N 3.33Å; N199-N202 VanDerWaalsContact O-N 3.1Å
203T67Low66.8Low166 Ų16694.3 Ų94.3100%1.01847%0.47SS*.  trans-106.20173.152.60000110.4N199 R200N199-T203 PolarHBondContact O-N 3.28Å; N199-T203 PolarHBondContact O-OG1 3.33Å; R200-T203 PolarHBondContact O-OG1 3.2Å

Retrieved 203 of 203 residues in 109.2 ms (Link to these results)

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