A0A077ZHK3_TRITR Loading...

Patched domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M54.2Low61.1Low174 Ų174111.5 Ų111.586%0.85758%0.584SS**  0-840-125.1176.6-77.100112.8L3 E4 E5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-E4 PolarHBondContact N-OE2 2.69Å; M1-E4 PolarHBondContact O-N 3.28Å; M1-E5 PolarHBondContact O-N 3.33Å
2R59.4Low61.2Low204 Ų204105.2 Ų105.277%0.7756%0.556SS**Hα-helixtrans-65.2-30.1-174.1-150.8-178-72.2176.8-2.2114.9M6R2-M6 WeakPolarHBondContact O-CG 3.45Å; R2-M6 PolarHBondContact O-N 3.31Å
3L63.7Low61.6Low138 Ų138111.2 Ų111.272%0.72358%0.576SS**Hα-helixtrans-75.7-31172.9-63.1-164.5000113M1 M6 A7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.33Å; L3-M6 HydrophobicContact CD2-CE 3.34Å; L3-A7 PolarHBondContact O-N 3.37Å; L3-A7 VanDerWaalsContact O-N 3.11Å
4E65.8Low62.2Low134 Ų134108.2 Ų108.263%0.62656%0.56SS**Hα-helixtrans-74.4-39.5177.3-71.8167129.900110.8M1 M6 A7 V8M1-E4 PolarHBondContact N-OE2 2.69Å; M1-E4 PolarHBondContact O-N 3.28Å; E4-M6 VanDerWaalsContact C-N 3.33Å; E4-M6 PolarHBondContact O-N 3.23Å; E4-A7 PolarHBondContact O-N 2.61Å; E4-A7 VanDerWaalsContact O-N 3.12Å; E4-V8 VanDerWaalsContact O-CG2 3.27Å; E4-V8 WeakPolarHBondContact O-CG2 3.15Å; E4-V8 PolarHBondContact O-N 3.43Å
5E61.7Low63.4Low114 Ų114105.3 Ų105.353%0.53355%0.553SS.*Hα-helixtrans-58.7-45.7173.1-75.1175.3156.400111.1M1 A7 V8 D9M1-E5 PolarHBondContact O-N 3.33Å; E5-A7 VanDerWaalsContact C-N 3.29Å; E5-A7 PolarHBondContact O-N 2.92Å; E5-V8 PolarHBondContact O-N 3.04Å; E5-D9 PolarHBondContact O-N 3.06Å
6M56.8Low64.3Low114 Ų114104.6 Ų104.656%0.56255%0.554SS**Hα-helixtrans-64.3-31.7175.7-69.2-170.5-55.100113.2R2 L3 E4 A10R2-M6 WeakPolarHBondContact O-CG 3.45Å; R2-M6 PolarHBondContact O-N 3.31Å; L3-M6 HydrophobicContact CD2-CE 3.34Å; E4-M6 VanDerWaalsContact C-N 3.33Å; E4-M6 PolarHBondContact O-N 3.23Å; M6-A10 WeakPolarHBondContact O-CB 3.5Å; M6-A10 PolarHBondContact O-N 3.16Å; M6-A10 VanDerWaalsContact O-N 3.16Å
7A64Low65.3Low60 Ų60103.5 Ų103.550%0.49655%0.545SS..Hα-helixtrans-73-38.8175.600000112L3 E4 E5 A10 A11L3-A7 PolarHBondContact O-N 3.37Å; L3-A7 VanDerWaalsContact O-N 3.11Å; E4-A7 PolarHBondContact O-N 2.61Å; E4-A7 VanDerWaalsContact O-N 3.12Å; E5-A7 VanDerWaalsContact C-N 3.29Å; E5-A7 PolarHBondContact O-N 2.92Å; A7-A10 PolarHBondContact O-N 3.22Å; A7-A11 WeakPolarHBondContact O-CB 3.45Å; A7-A11 PolarHBondContact O-N 2.86Å
8V66.3Low66.3Low99 Ų99102.5 Ų102.560%0.654%0.54SS*.Hα-helixtrans-66.4-41.7176.31720000111E4 E5 A10 A11 S12E4-V8 VanDerWaalsContact O-CG2 3.27Å; E4-V8 WeakPolarHBondContact O-CG2 3.15Å; E4-V8 PolarHBondContact O-N 3.43Å; E5-V8 PolarHBondContact O-N 3.04Å; V8-A10 VanDerWaalsContact C-N 3.33Å; V8-A10 PolarHBondContact O-N 3.13Å; V8-A11 WeakPolarHBondContact O-CB 3.38Å; V8-A11 PolarHBondContact O-N 2.92Å; V8-S12 PolarHBondContact O-N 3.21Å
9D56.3Low66.9Low104 Ų104101.1 Ų101.156%0.55653%0.527SS*.Hα-helixtrans-64.4-39175.9-71.9-27.7000111.5E5 S12 F13E5-D9 PolarHBondContact O-N 3.06Å; D9-S12 WeakPolarHBondContact O-CB 3.36Å; D9-S12 PolarHBondContact O-N 3.06Å; D9-S12 PolarHBondContact O-OG 3.18Å; D9-F13 WeakPolarHBondContact O-CD2 3.48Å
10A62.5Low67.7Low56 Ų5697.5 Ų97.546%0.46351%0.508SS..Hα-helixtrans-64.2-41.2173.100000111.9M6 A7 V8 S12 F13 L14M6-A10 WeakPolarHBondContact O-CB 3.5Å; M6-A10 PolarHBondContact O-N 3.16Å; M6-A10 VanDerWaalsContact O-N 3.16Å; A7-A10 PolarHBondContact O-N 3.22Å; V8-A10 VanDerWaalsContact C-N 3.33Å; V8-A10 PolarHBondContact O-N 3.13Å; A10-S12 PolarHBondContact O-N 2.87Å; A10-F13 PolarHBondContact O-N 3.47Å; A10-L14 WeakPolarHBondContact O-CD1 3.19Å
11A61.5Low68.6Low29 Ų2994.5 Ų94.524%0.2450%0.501CS..Hα-helixtrans-60.9-26.6177.100000113.3A7 V8 F13 L14 R19A7-A11 WeakPolarHBondContact O-CB 3.45Å; A7-A11 PolarHBondContact O-N 2.86Å; V8-A11 WeakPolarHBondContact O-CB 3.38Å; V8-A11 PolarHBondContact O-N 2.92Å; A11-F13 VanDerWaalsContact C-N 3.27Å; A11-F13 PolarHBondContact O-N 2.84Å; A11-L14 PolarHBondContact O-N 2.86Å; A11-R19 WeakPolarHBondContact O-CD 3.27Å; A11-R19 VanDerWaalsContact O-CG 3.31Å; A11-R19 WeakPolarHBondContact O-CG 3.43Å
12S62.3Low70Confident36 Ų3690.2 Ų90.225%0.25248%0.482SS..THydrogen-bonded Turntrans-66.8-25.2-179.877.60000114V8 D9 A10V8-S12 PolarHBondContact O-N 3.21Å; D9-S12 WeakPolarHBondContact O-CB 3.36Å; D9-S12 PolarHBondContact O-N 3.06Å; D9-S12 PolarHBondContact O-OG 3.18Å; A10-S12 PolarHBondContact O-N 2.87Å
13F66.2Low71.2Confident184 Ų18483.6 Ų83.681%0.80747%0.471SS*.THydrogen-bonded Turntrans-88.5-5.9179.5-66.2-77.5000113.9D9 A10 A11D9-F13 WeakPolarHBondContact O-CD2 3.48Å; A10-F13 PolarHBondContact O-N 3.47Å; A11-F13 VanDerWaalsContact C-N 3.27Å; A11-F13 PolarHBondContact O-N 2.84Å
14L70.3Confident72.2Confident69 Ų6978.5 Ų78.536%0.36144%0.443SS..SBendtrans-76.2153.9-177.5-91.577.2000112A10 A11 D18 R19A10-L14 WeakPolarHBondContact O-CD1 3.19Å; A11-L14 PolarHBondContact O-N 2.86Å; L14-D18 HydrophobicContact CB-CB 4.01Å; L14-D18 HydrophobicContact CD2-CB 3.56Å; L14-D18 HydrophobicContact CG-CB 4.17Å; L14-R19 HydrophobicContact CB-CG 3.86Å; L14-R19 WeakPolarHBondContact O-CD 3.45Å
15S80.7Confident73.4Confident65 Ų6575.4 Ų75.446%0.45544%0.437SS..  trans-57.9154.3174-162.20000110E17 D18 R19S15-E17 WeakPolarHBondContact CB-OE2 3.45Å; S15-E17 PolarHBondContact O-N 3.11Å; S15-E17 VanDerWaalsContact O-N 3.13Å; S15-E17 PolarHBondContact OG-OE2 2.94Å; S15-D18 PolarHBondContact O-N 2.94Å; S15-R19 PolarHBondContact O-N 3.25Å
16V77.5Confident74.7Confident94 Ų9476.8 Ų76.857%0.5744%0.443SS*.Hα-helixtrans-53.9-37.9-178.9176.40000111I20V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 WeakPolarHBondContact O-CD1 3.4Å; V16-I20 WeakPolarHBondContact O-CG1 3.31Å; V16-I20 PolarHBondContact O-N 3.12Å
17E81Confident76.3Confident86 Ų8673.5 Ų73.540%0.40243%0.434SS..Hα-helixtrans-63.4-44.5177.9-63.376.5-16800113S15 I20 G21S15-E17 WeakPolarHBondContact CB-OE2 3.45Å; S15-E17 PolarHBondContact O-N 3.11Å; S15-E17 VanDerWaalsContact O-N 3.13Å; S15-E17 PolarHBondContact OG-OE2 2.94Å; E17-I20 PolarHBondContact O-N 3.34Å; E17-G21 PolarHBondContact O-N 3.44Å
18D83.5Confident77.6Confident85 Ų8571.5 Ų71.546%0.45542%0.418SS..Hα-helixtrans-70.8-38.4-178.3-56.5-35.7000110.6L14 S15 I20 G21 D22L14-D18 HydrophobicContact CB-CB 4.01Å; L14-D18 HydrophobicContact CD2-CB 3.56Å; L14-D18 HydrophobicContact CG-CB 4.17Å; S15-D18 PolarHBondContact O-N 2.94Å; D18-I20 VanDerWaalsContact C-N 3.34Å; D18-I20 PolarHBondContact O-N 3.25Å; D18-G21 WeakPolarHBondContact O-CA 3.37Å; D18-G21 PolarHBondContact O-N 3.07Å; D18-G21 VanDerWaalsContact O-N 3.12Å; D18-D22 PolarHBondContact O-N 3.05Å
19R78.1Confident78.8Confident76 Ų7669 Ų6929%0.28741%0.407SS..Hα-helixtrans-62.5-40.5175-68.5-179.260.9-161.3-4.1112.7A11 L14 S15 G21 A23 L109A11-R19 WeakPolarHBondContact O-CD 3.27Å; A11-R19 VanDerWaalsContact O-CG 3.31Å; A11-R19 WeakPolarHBondContact O-CG 3.43Å; L14-R19 HydrophobicContact CB-CG 3.86Å; L14-R19 WeakPolarHBondContact O-CD 3.45Å; S15-R19 PolarHBondContact O-N 3.25Å; R19-G21 VanDerWaalsContact C-N 3.33Å; R19-A23 WeakPolarHBondContact O-CB 3.42Å; R19-A23 PolarHBondContact O-N 3.36Å; R19-A23 VanDerWaalsContact O-N 3.14Å; R19-L109 VanDerWaalsContact NH2-CD1 3.34Å
20I81.6Confident80.6Confident28 Ų2867.5 Ų67.514%0.14441%0.405CS..Hα-helixtrans-65.3-42.4173.8-69.7168.6000109.7V16 E17 D18 A23 M24 L83V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 HydrophobicContact CG1-CG1 4.45Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 WeakPolarHBondContact O-CD1 3.4Å; V16-I20 WeakPolarHBondContact O-CG1 3.31Å; V16-I20 PolarHBondContact O-N 3.12Å; E17-I20 PolarHBondContact O-N 3.34Å; D18-I20 VanDerWaalsContact C-N 3.34Å; D18-I20 PolarHBondContact O-N 3.25Å; I20-A23 PolarHBondContact O-N 3.38Å; I20-M24 HydrophobicContact CG2-CE 3.51Å; I20-M24 HydrophobicContact CG2-CG 4.17Å; I20-M24 HydrophobicContact CG2-SD 3.65Å; I20-M24 WeakPolarHBondContact O-CB 3.2Å; I20-M24 WeakPolarHBondContact O-CG 3.45Å; I20-M24 PolarHBondContact O-N 2.95Å; I20-L83 HydrophobicContact CB-CD1 4.33Å; I20-L83 HydrophobicContact CD1-CB 3.76Å; I20-L83 HydrophobicContact CD1-CD1 4.04Å; I20-L83 HydrophobicContact CG1-CD1 3.91Å; I20-L83 HydrophobicContact CG2-CD1 3.51Å
21G86.4Confident82Confident36 Ų3667.4 Ų67.437%0.37140%0.396SS..Hα-helixtrans-57.8-47.4176.500000112.8E17 D18 R19 M24 S25E17-G21 PolarHBondContact O-N 3.44Å; D18-G21 WeakPolarHBondContact O-CA 3.37Å; D18-G21 PolarHBondContact O-N 3.07Å; D18-G21 VanDerWaalsContact O-N 3.12Å; R19-G21 VanDerWaalsContact C-N 3.33Å; G21-M24 PolarHBondContact O-N 3.12Å; G21-S25 WeakPolarHBondContact O-CB 3.46Å; G21-S25 PolarHBondContact O-N 3.44Å
22D85Confident83.6Confident83 Ų8368.2 Ų68.244%0.44440%0.398SS..Hα-helixtrans-62.9-49.1178.3-73.3-15.1000111.4D18 M24 S25 E26D18-D22 PolarHBondContact O-N 3.05Å; D22-M24 VanDerWaalsContact C-N 3.3Å; D22-M24 PolarHBondContact O-N 2.88Å; D22-S25 PolarHBondContact O-N 2.91Å; D22-S25 PolarHBondContact O-OG 2.93Å; D22-E26 PolarHBondContact O-N 3.27Å
23A83.1Confident85.1Confident65 Ų6571.7 Ų71.754%0.53741%0.413SS..Hα-helixtrans-61.6-38.3177.700000112.5R19 I20 A27R19-A23 WeakPolarHBondContact O-CB 3.42Å; R19-A23 PolarHBondContact O-N 3.36Å; R19-A23 VanDerWaalsContact O-N 3.14Å; I20-A23 PolarHBondContact O-N 3.38Å; A23-A27 PolarHBondContact O-N 3.39Å
24M86.6Confident86.5Confident31 Ų3166.5 Ų66.515%0.15340%0.396CS..Hα-helixtrans-68.7-38176-80.6-175.317800112.7I20 G21 D22 A27 A28 M76 Q79 A80 L83I20-M24 HydrophobicContact CG2-CE 3.51Å; I20-M24 HydrophobicContact CG2-CG 4.17Å; I20-M24 HydrophobicContact CG2-SD 3.65Å; I20-M24 WeakPolarHBondContact O-CB 3.2Å; I20-M24 WeakPolarHBondContact O-CG 3.45Å; I20-M24 PolarHBondContact O-N 2.95Å; G21-M24 PolarHBondContact O-N 3.12Å; D22-M24 VanDerWaalsContact C-N 3.3Å; D22-M24 PolarHBondContact O-N 2.88Å; M24-A27 PolarHBondContact O-N 3.44Å; M24-A28 WeakPolarHBondContact O-CB 3.19Å; M24-A28 PolarHBondContact O-N 3.36Å; M24-M76 HydrophobicContact CB-CE 3.36Å; M24-M76 HydrophobicContact CG-CE 3.52Å; M24-M76 VanDerWaalsContact O-CE 3.3Å; M24-M76 WeakPolarHBondContact O-CE 3.36Å; M24-M76 HydrophobicContact SD-CE 4.12Å; M24-Q79 HydrophobicContact CE-CB 3.92Å; M24-A80 VanDerWaalsContact CE-CA 3.44Å; M24-A80 HydrophobicContact CE-CB 3.67Å; M24-A80 VanDerWaalsContact CE-N 3.27Å; M24-A80 HydrophobicContact SD-CB 3.94Å; M24-L83 HydrophobicContact CE-CD1 3.56Å
25S90.5Very high87.7Confident70 Ų7064 Ų6449%0.4938%0.384SS..Hα-helixtrans-64.6-41179.774.60000111.8G21 D22 A28 A29G21-S25 WeakPolarHBondContact O-CB 3.46Å; G21-S25 PolarHBondContact O-N 3.44Å; D22-S25 PolarHBondContact O-N 2.91Å; D22-S25 PolarHBondContact O-OG 2.93Å; S25-A28 PolarHBondContact O-N 3.36Å; S25-A29 WeakPolarHBondContact O-CB 3.5Å; S25-A29 PolarHBondContact O-N 3.18Å
26E88.6Confident88.3Confident142 Ų14264.9 Ų64.966%0.66438%0.383SS*.Hα-helixtrans-67.3-44.9177.1-173.660.9-158.900111.3D22 A28 A29 S30D22-E26 PolarHBondContact O-N 3.27Å; E26-A28 PolarHBondContact O-N 3.14Å; E26-A29 PolarHBondContact O-N 2.72Å; E26-S30 PolarHBondContact O-N 2.73Å
27A89.4Confident89.1Confident45 Ų4564 Ų6437%0.37238%0.378SS..Hα-helixtrans-62.4-42.3175.300000112.1A23 M24 S30 I31A23-A27 PolarHBondContact O-N 3.39Å; M24-A27 PolarHBondContact O-N 3.44Å; A27-S30 PolarHBondContact O-N 3.19Å; A27-I31 WeakPolarHBondContact O-CD1 3.41Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.46Å; A27-I31 PolarHBondContact O-N 2.86Å
28A91.6Very high89.8Confident19 Ų1963.6 Ų63.616%0.15738%0.379CS..Hα-helixtrans-64.8-38.6178.500000112.5M24 S25 E26 T32 L72 M76M24-A28 WeakPolarHBondContact O-CB 3.19Å; M24-A28 PolarHBondContact O-N 3.36Å; S25-A28 PolarHBondContact O-N 3.36Å; E26-A28 PolarHBondContact O-N 3.14Å; A28-T32 WeakPolarHBondContact O-CB 3.39Å; A28-T32 PolarHBondContact O-N 3.19Å; A28-T32 PolarHBondContact O-OG1 3.09Å; A28-L72 HydrophobicContact CB-CD2 3.87Å; A28-M76 HydrophobicContact CB-CE 4.27Å
29A92.8Very high90.3Very high45 Ų4560.8 Ų60.837%0.37236%0.364SS..Hα-helixtrans-61.9-46.5175.400000111.2S25 E26 T32 I33S25-A29 WeakPolarHBondContact O-CB 3.5Å; S25-A29 PolarHBondContact O-N 3.18Å; E26-A29 PolarHBondContact O-N 2.72Å; A29-T32 PolarHBondContact O-N 2.79Å; A29-I33 VanDerWaalsContact O-CG1 3.28Å; A29-I33 WeakPolarHBondContact O-CG1 3.39Å; A29-I33 PolarHBondContact O-N 3.02Å
30S93.5Very high91Very high73 Ų7363.3 Ų63.351%0.5138%0.378SS..Hα-helixtrans-59.1-50.5176.5-177.90000112.4E26 A27 T32 I33 T34E26-S30 PolarHBondContact O-N 2.73Å; A27-S30 PolarHBondContact O-N 3.19Å; S30-T32 VanDerWaalsContact C-N 3.31Å; S30-T32 PolarHBondContact O-N 2.92Å; S30-I33 PolarHBondContact O-N 2.66Å; S30-T34 PolarHBondContact O-N 3.32Å; S30-T34 VanDerWaalsContact O-N 3.09Å; S30-T34 PolarHBondContact O-OG1 3.05Å
31I92.4Very high91.6Very high54 Ų5465.5 Ų65.528%0.27740%0.396SS..Hα-helixtrans-58.3-45178.9-67.6164.3000110.8A27 I33 T34 V35 L68 Q71A27-I31 WeakPolarHBondContact O-CD1 3.41Å; A27-I31 VanDerWaalsContact O-CG1 3.28Å; A27-I31 WeakPolarHBondContact O-CG1 3.46Å; A27-I31 PolarHBondContact O-N 2.86Å; I31-I33 VanDerWaalsContact C-N 3.35Å; I31-I33 PolarHBondContact O-N 3.33Å; I31-T34 PolarHBondContact O-N 3.43Å; I31-V35 HydrophobicContact CG2-CG2 4.35Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.1Å; I31-L68 HydrophobicContact CG2-CD1 4.46Å; I31-Q71 VanDerWaalsContact CG2-OE1 3.26Å
32T94.5Very high91.8Very high46 Ų4665.9 Ų65.928%0.28239%0.389SS..Hα-helixtrans-62.8-42.3-179.2-57.20000111.3A28 A29 S30 L36A28-T32 WeakPolarHBondContact O-CB 3.39Å; A28-T32 PolarHBondContact O-N 3.19Å; A28-T32 PolarHBondContact O-OG1 3.09Å; A29-T32 PolarHBondContact O-N 2.79Å; S30-T32 VanDerWaalsContact C-N 3.31Å; S30-T32 PolarHBondContact O-N 2.92Å; T32-L36 WeakPolarHBondContact O-CB 3.4Å; T32-L36 PolarHBondContact O-N 2.72Å
33I94.5Very high92.1Very high109 Ų10963.6 Ų63.656%0.55938%0.381SS*.Hα-helixtrans-63.1-46.2178.5-69.2164.8000111.1A29 S30 I31 L36 T37A29-I33 VanDerWaalsContact O-CG1 3.28Å; A29-I33 WeakPolarHBondContact O-CG1 3.39Å; A29-I33 PolarHBondContact O-N 3.02Å; S30-I33 PolarHBondContact O-N 2.66Å; I31-I33 VanDerWaalsContact C-N 3.35Å; I31-I33 PolarHBondContact O-N 3.33Å; I33-L36 PolarHBondContact O-N 3.21Å; I33-T37 WeakPolarHBondContact O-CB 3.35Å; I33-T37 PolarHBondContact O-N 3.16Å; I33-T37 PolarHBondContact O-OG1 3.12Å
34T94.2Very high92.5Very high76 Ų7666 Ų6647%0.46638%0.384SS..Hα-helixtrans-60.6-52.5178.5-59.50000110.9S30 I31 L36 T37 D38S30-T34 PolarHBondContact O-N 3.32Å; S30-T34 VanDerWaalsContact O-N 3.09Å; S30-T34 PolarHBondContact O-OG1 3.05Å; I31-T34 PolarHBondContact O-N 3.43Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-L36 PolarHBondContact O-N 3.4Å; T34-T37 PolarHBondContact O-N 3.38Å; T34-D38 PolarHBondContact O-N 3.38Å
35V95.2Very high92.6Very high15 Ų1565.2 Ų65.29%0.09138%0.384CS..Hα-helixtrans-65.7-38-177.8176.70000111.6I31 T37 D38 V39 I64 L68I31-V35 HydrophobicContact CG2-CG2 4.35Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.1Å; V35-T37 VanDerWaalsContact C-N 3.33Å; V35-T37 PolarHBondContact O-N 2.93Å; V35-D38 PolarHBondContact O-N 3.14Å; V35-V39 HydrophobicContact CG1-CG2 4.27Å; V35-V39 WeakPolarHBondContact O-CB 3.47Å; V35-V39 VanDerWaalsContact O-CG2 3.27Å; V35-V39 WeakPolarHBondContact O-CG2 3.46Å; V35-V39 PolarHBondContact O-N 3.38Å; V35-I64 HydrophobicContact CG1-CG2 3.55Å; V35-L68 HydrophobicContact CB-CD1 4.16Å; V35-L68 HydrophobicContact CG1-CB 3.93Å; V35-L68 HydrophobicContact CG1-CD1 4.33Å; V35-L68 HydrophobicContact CG1-CD2 4.24Å; V35-L68 HydrophobicContact CG1-CG 4.39Å; V35-L68 HydrophobicContact CG2-CD1 4.39Å
36L94.2Very high92.5Very high84 Ų8465.3 Ų65.344%0.4438%0.378SS..Hα-helixtrans-62.7-42.3176.6-175.463.9000111.4T32 I33 T34 D38 V39 F40T32-L36 WeakPolarHBondContact O-CB 3.4Å; T32-L36 PolarHBondContact O-N 2.72Å; I33-L36 PolarHBondContact O-N 3.21Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-L36 PolarHBondContact O-N 3.4Å; L36-D38 VanDerWaalsContact C-N 3.35Å; L36-V39 PolarHBondContact O-N 3.39Å; L36-F40 HydrophobicContact CD1-CD2 3.93Å; L36-F40 HydrophobicContact CD1-CE2 3.4Å; L36-F40 VanDerWaalsContact CD1-CE2 3.4Å; L36-F40 HydrophobicContact CD1-CZ 4.14Å; L36-F40 HydrophobicContact CD2-CE2 4.05Å; L36-F40 HydrophobicContact CG-CD2 3.79Å; L36-F40 HydrophobicContact CG-CE2 3.5Å; L36-F40 VanDerWaalsContact CG-CE2 3.5Å; L36-F40 WeakPolarHBondContact O-CD2 3.37Å; L36-F40 PolarHBondContact O-N 2.84Å
37T95.3Very high92.6Very high77 Ų7765.2 Ų65.247%0.47238%0.382SS..Hα-helixtrans-64.7-39.9176.9-55.50000111.4I33 T34 V35 F40 S41I33-T37 WeakPolarHBondContact O-CB 3.35Å; I33-T37 PolarHBondContact O-N 3.16Å; I33-T37 PolarHBondContact O-OG1 3.12Å; T34-T37 PolarHBondContact O-N 3.38Å; V35-T37 VanDerWaalsContact C-N 3.33Å; V35-T37 PolarHBondContact O-N 2.93Å; T37-F40 PolarHBondContact O-N 3.36Å; T37-S41 WeakPolarHBondContact O-CB 3.16Å; T37-S41 PolarHBondContact O-N 2.69Å; T37-S41 PolarHBondContact O-OG 2.8Å
38D94.5Very high92.6Very high77 Ų7765.5 Ų65.541%0.41238%0.379SS..Hα-helixtrans-64.6-45.5175.7-72.1-12000111.4T34 V35 L36 F40 S41 I42T34-D38 PolarHBondContact O-N 3.38Å; V35-D38 PolarHBondContact O-N 3.14Å; L36-D38 VanDerWaalsContact C-N 3.35Å; D38-F40 PolarHBondContact O-N 2.81Å; D38-S41 PolarHBondContact O-N 3.4Å; D38-I42 WeakPolarHBondContact O-CB 3.44Å; D38-I42 VanDerWaalsContact O-CG1 3.32Å; D38-I42 WeakPolarHBondContact O-CG1 3.2Å; D38-I42 PolarHBondContact O-N 3.22Å
39V94.1Very high92.5Very high25 Ų2572.1 Ų72.115%0.15241%0.412CS..Hα-helixtrans-58.6-47.1176.2165.90000110.8V35 L36 A43 T61 I64 V65V35-V39 HydrophobicContact CG1-CG2 4.27Å; V35-V39 WeakPolarHBondContact O-CB 3.47Å; V35-V39 VanDerWaalsContact O-CG2 3.27Å; V35-V39 WeakPolarHBondContact O-CG2 3.46Å; V35-V39 PolarHBondContact O-N 3.38Å; L36-V39 PolarHBondContact O-N 3.39Å; V39-A43 WeakPolarHBondContact O-CB 3.34Å; V39-A43 PolarHBondContact O-N 2.88Å; V39-T61 HydrophobicContact CG1-CG2 3.92Å; V39-I64 HydrophobicContact CG2-CB 4.32Å; V39-I64 HydrophobicContact CG2-CG2 3.57Å; V39-V65 HydrophobicContact CG1-CG2 4.17Å; V39-V65 HydrophobicContact CG2-CG2 3.75Å
40F93.1Very high92.4Very high130 Ų13075.1 Ų75.157%0.5742%0.42SS*.Hα-helixtrans-64-44.7177.1-79.8-60.2000112.1L36 T37 D38 I42 A43 L44L36-F40 HydrophobicContact CD1-CD2 3.93Å; L36-F40 HydrophobicContact CD1-CE2 3.4Å; L36-F40 VanDerWaalsContact CD1-CE2 3.4Å; L36-F40 HydrophobicContact CD1-CZ 4.14Å; L36-F40 HydrophobicContact CD2-CE2 4.05Å; L36-F40 HydrophobicContact CG-CD2 3.79Å; L36-F40 HydrophobicContact CG-CE2 3.5Å; L36-F40 VanDerWaalsContact CG-CE2 3.5Å; L36-F40 WeakPolarHBondContact O-CD2 3.37Å; L36-F40 PolarHBondContact O-N 2.84Å; T37-F40 PolarHBondContact O-N 3.36Å; D38-F40 PolarHBondContact O-N 2.81Å; F40-I42 VanDerWaalsContact C-N 3.34Å; F40-I42 PolarHBondContact O-N 2.89Å; F40-A43 PolarHBondContact O-N 3.1Å; F40-L44 WeakPolarHBondContact O-CG 3.27Å; F40-L44 PolarHBondContact O-N 2.74Å
41S93.1Very high92.2Very high74 Ų7477.2 Ų77.252%0.51743%0.425SS..Hα-helixtrans-61.3-42.5-179.5-60.30000111.9T37 D38T37-S41 WeakPolarHBondContact O-CB 3.16Å; T37-S41 PolarHBondContact O-N 2.69Å; T37-S41 PolarHBondContact O-OG 2.8Å; D38-S41 PolarHBondContact O-N 3.4Å
42I92.3Very high92.1Very high44 Ų4478.2 Ų78.223%0.22644%0.441CS..Hα-helixtrans-75.2-37.9178.4-65.1169.5000111.1D38 F40 L44 G45 C57 T60 T61 I64D38-I42 WeakPolarHBondContact O-CB 3.44Å; D38-I42 VanDerWaalsContact O-CG1 3.32Å; D38-I42 WeakPolarHBondContact O-CG1 3.2Å; D38-I42 PolarHBondContact O-N 3.22Å; F40-I42 VanDerWaalsContact C-N 3.34Å; F40-I42 PolarHBondContact O-N 2.89Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 PolarHBondContact O-N 2.97Å; I42-G45 WeakPolarHBondContact O-CA 3.47Å; I42-G45 PolarHBondContact O-N 3.43Å; I42-C57 HydrophobicContact CG2-CB 4.1Å; I42-C57 WeakPolarHBondContact CG2-O 3.15Å; I42-C57 WeakPolarHBondContact O-CB 3.39Å; I42-T60 VanDerWaalsContact CG2-OG1 3.25Å; I42-T60 WeakPolarHBondContact CG2-OG1 3.2Å; I42-T61 VanDerWaalsContact CG2-OG1 3.28Å; I42-T61 WeakPolarHBondContact CG2-OG1 3.41Å; I42-I64 HydrophobicContact CD1-CD1 3.4Å; I42-I64 VanDerWaalsContact CD1-CD1 3.4Å
43A90.2Very high91.8Very high34 Ų3478.1 Ų78.128%0.28144%0.441SS..Hα-helixtrans-63.2-35.5177.600000112.1V39 F40 G45 I46V39-A43 WeakPolarHBondContact O-CB 3.34Å; V39-A43 PolarHBondContact O-N 2.88Å; F40-A43 PolarHBondContact O-N 3.1Å; A43-G45 PolarHBondContact O-N 3.17Å; A43-I46 HydrophobicContact CB-CD1 4.49Å; A43-I46 VanDerWaalsContact O-CB 3.26Å; A43-I46 WeakPolarHBondContact O-CB 3.36Å; A43-I46 VanDerWaalsContact O-CG1 3.3Å; A43-I46 WeakPolarHBondContact O-CG1 3.44Å; A43-I46 PolarHBondContact O-N 3.49Å
44L91.7Very high91.6Very high116 Ų11676.7 Ų76.761%0.60743%0.432SS*.Hα-helixtrans-61-26.4172-72.1175.8000112.5F40 I42 I46 L47F40-L44 WeakPolarHBondContact O-CG 3.27Å; F40-L44 PolarHBondContact O-N 2.74Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 PolarHBondContact O-N 2.97Å; L44-I46 PolarHBondContact O-N 3.46Å; L44-L47 HydrophobicContact CD2-CD1 4.26Å; L44-L47 PolarHBondContact O-N 3.02Å
45G88.2Confident91.4Very high15 Ų1578.5 Ų78.516%0.15544%0.437CS..G310 helixtrans-63-22.5173.400000114.1I42 A43 L47 T48 V53I42-G45 WeakPolarHBondContact O-CA 3.47Å; I42-G45 PolarHBondContact O-N 3.43Å; A43-G45 PolarHBondContact O-N 3.17Å; G45-L47 PolarHBondContact O-N 2.89Å; G45-T48 WeakPolarHBondContact O-CB 3.3Å; G45-T48 WeakPolarHBondContact O-CG2 3.33Å; G45-T48 PolarHBondContact O-N 3.47Å; G45-T48 PolarHBondContact O-OG1 2.85Å; G45-V53 WeakPolarHBondContact O-CG1 3.3Å
46I88.5Confident91.3Very high71 Ų7183.8 Ų83.836%0.36446%0.459SS..G310 helixtrans-66.2-25.8177.7-55.9172.2000111.4A43 L44 T48 C57 P58A43-I46 HydrophobicContact CB-CD1 4.49Å; A43-I46 VanDerWaalsContact O-CB 3.26Å; A43-I46 WeakPolarHBondContact O-CB 3.36Å; A43-I46 VanDerWaalsContact O-CG1 3.3Å; A43-I46 WeakPolarHBondContact O-CG1 3.44Å; A43-I46 PolarHBondContact O-N 3.49Å; L44-I46 PolarHBondContact O-N 3.46Å; I46-T48 PolarHBondContact O-N 3.21Å; I46-C57 HydrophobicContact CG1-CB 3.71Å; I46-P58 HydrophobicContact CD1-CG 4.02Å; I46-P58 HydrophobicContact CG1-CG 4.01Å
47L90.3Very high91.2Very high140 Ų14080.2 Ų80.273%0.73344%0.441SS*.G310 helixtrans-74.8-9.7178.7-61.5176.5000113.5L44 G45L44-L47 HydrophobicContact CD2-CD1 4.26Å; L44-L47 PolarHBondContact O-N 3.02Å; G45-L47 PolarHBondContact O-N 2.89Å
48T90.7Very high91Very high51 Ų5179.3 Ų79.331%0.31344%0.437SS..SBendtrans-71.8143.9179.564.80000111.1G45 I46 I50 V53 Q54G45-T48 WeakPolarHBondContact O-CB 3.3Å; G45-T48 WeakPolarHBondContact O-CG2 3.33Å; G45-T48 PolarHBondContact O-N 3.47Å; G45-T48 PolarHBondContact O-OG1 2.85Å; I46-T48 PolarHBondContact O-N 3.21Å; T48-I50 PolarHBondContact O-N 2.99Å; T48-V53 HydrophobicContact CG2-CG1 4.45Å; T48-V53 WeakPolarHBondContact OG1-CB 3.15Å; T48-V53 WeakPolarHBondContact OG1-CG1 3.35Å; T48-Q54 VanDerWaalsContact O-CG 3.24Å; T48-Q54 WeakPolarHBondContact O-CG 3.19Å; T48-Q54 PolarHBondContact O-NE2 3.02Å
49N88.9Confident90.9Very high159 Ų15982.6 Ų82.685%0.8545%0.449SS*.SBendtrans-78.33.2179.7-70.3-47000113.9
50I90.8Very high90.9Very high107 Ų10782.8 Ų82.855%0.54945%0.45SS..  trans-89114.3-176.6-57.8173.1000108.8T48 A52 V53 Q54T48-I50 PolarHBondContact O-N 2.99Å; I50-A52 HydrophobicContact CG2-CB 4.2Å; I50-A52 PolarHBondContact O-N 3.05Å; I50-A52 VanDerWaalsContact O-N 3.13Å; I50-V53 HydrophobicContact CB-CB 4.37Å; I50-V53 HydrophobicContact CB-CG2 4.04Å; I50-V53 HydrophobicContact CG2-CG2 4.07Å; I50-V53 PolarHBondContact O-N 3.37Å; I50-Q54 PolarHBondContact O-N 2.92Å; I50-Q54 VanDerWaalsContact O-N 3.07Å
51L88.7Confident90.8Very high118 Ų11877.5 Ų77.562%0.61843%0.429SS*.Hα-helixtrans-52.4-39.2-177.4-178.763.7000113.2V53 Q54 I55L51-V53 VanDerWaalsContact C-N 3.31Å; L51-V53 PolarHBondContact O-N 3.17Å; L51-Q54 PolarHBondContact O-N 3.03Å; L51-I55 HydrophobicContact CD1-CD1 4.15Å; L51-I55 HydrophobicContact CD1-CG1 4.36Å; L51-I55 HydrophobicContact CG-CD1 4.16Å; L51-I55 WeakPolarHBondContact O-CG1 3.5Å; L51-I55 PolarHBondContact O-N 2.86Å
52A90.1Very high90.8Very high74 Ų7476.8 Ų76.861%0.61243%0.427SS*.Hα-helixtrans-60.3-40.3178.100000112.6I50 F56I50-A52 HydrophobicContact CG2-CB 4.2Å; I50-A52 PolarHBondContact O-N 3.05Å; I50-A52 VanDerWaalsContact O-N 3.13Å; A52-F56 WeakPolarHBondContact O-CB 3.21Å; A52-F56 PolarHBondContact O-N 3.31Å
53V90.2Very high90.9Very high45 Ų4577.7 Ų77.727%0.27344%0.436SS..Hα-helixtrans-74.8-38.6179.9-177.60000110.6G45 T48 I50 L51 I55 F56 C57G45-V53 WeakPolarHBondContact O-CG1 3.3Å; T48-V53 HydrophobicContact CG2-CG1 4.45Å; T48-V53 WeakPolarHBondContact OG1-CB 3.15Å; T48-V53 WeakPolarHBondContact OG1-CG1 3.35Å; I50-V53 HydrophobicContact CB-CB 4.37Å; I50-V53 HydrophobicContact CB-CG2 4.04Å; I50-V53 HydrophobicContact CG2-CG2 4.07Å; I50-V53 PolarHBondContact O-N 3.37Å; L51-V53 VanDerWaalsContact C-N 3.31Å; L51-V53 PolarHBondContact O-N 3.17Å; V53-I55 VanDerWaalsContact C-N 3.27Å; V53-I55 PolarHBondContact O-N 2.67Å; V53-F56 PolarHBondContact O-N 3.06Å; V53-C57 VanDerWaalsContact CG1-SG 3.56Å; V53-C57 WeakPolarHBondContact O-CB 3.25Å; V53-C57 PolarHBondContact O-N 3.14Å
54Q89.2Confident91.1Very high78 Ų7877.9 Ų77.936%0.36443%0.432SS..Hα-helixtrans-62.1-30.5177.5-69.5-177.2-2.600113.7T48 I50 L51 P58T48-Q54 VanDerWaalsContact O-CG 3.24Å; T48-Q54 WeakPolarHBondContact O-CG 3.19Å; T48-Q54 PolarHBondContact O-NE2 3.02Å; I50-Q54 PolarHBondContact O-N 2.92Å; I50-Q54 VanDerWaalsContact O-N 3.07Å; L51-Q54 PolarHBondContact O-N 3.03Å; Q54-P58 WeakPolarHBondContact O-CD 3.35Å; Q54-P58 WeakPolarHBondContact O-CG 3.37Å
55I91.1Very high91.2Very high114 Ų11474.8 Ų74.859%0.58542%0.418SS*.Hα-helixtrans-82-39.1175.9-60.5172.2000110.7L51 V53L51-I55 HydrophobicContact CD1-CD1 4.15Å; L51-I55 HydrophobicContact CD1-CG1 4.36Å; L51-I55 HydrophobicContact CG-CD1 4.16Å; L51-I55 WeakPolarHBondContact O-CG1 3.5Å; L51-I55 PolarHBondContact O-N 2.86Å; V53-I55 VanDerWaalsContact C-N 3.27Å; V53-I55 PolarHBondContact O-N 2.67Å
56F92.6Very high91.4Very high127 Ų12777.3 Ų77.356%0.55743%0.43SS*.Hα-helixtrans-69.6-50.2-176.4173.8-104.9000113A52 V53 H59 T60A52-F56 WeakPolarHBondContact O-CB 3.21Å; A52-F56 PolarHBondContact O-N 3.31Å; V53-F56 PolarHBondContact O-N 3.06Å; F56-H59 PolarHBondContact O-N 2.97Å; F56-H59 VanDerWaalsContact O-N 3.11Å; F56-T60 HydrophobicContact CD1-CG2 4.43Å; F56-T60 HydrophobicContact CD2-CG2 3.88Å; F56-T60 HydrophobicContact CE1-CG2 3.99Å; F56-T60 HydrophobicContact CE2-CG2 3.37Å; F56-T60 HydrophobicContact CG-CG2 4.39Å; F56-T60 HydrophobicContact CZ-CG2 3.45Å; F56-T60 VanDerWaalsContact CZ-CG2 3.45Å; F56-T60 PolarHBondContact O-N 2.82Å; F56-T60 PolarHBondContact O-OG1 3.45Å
57C92.5Very high91.6Very high9 Ų976.9 Ų76.96%0.06143%0.431CS..Hα-helixtrans-59.9-44.3-172.9-74.30000113.9I42 I46 V53 H59 T60 T61I42-C57 HydrophobicContact CG2-CB 4.1Å; I42-C57 WeakPolarHBondContact CG2-O 3.15Å; I42-C57 WeakPolarHBondContact O-CB 3.39Å; I46-C57 HydrophobicContact CG1-CB 3.71Å; V53-C57 VanDerWaalsContact CG1-SG 3.56Å; V53-C57 WeakPolarHBondContact O-CB 3.25Å; V53-C57 PolarHBondContact O-N 3.14Å; C57-H59 VanDerWaalsContact C-N 3.34Å; C57-H59 PolarHBondContact O-N 3.33Å; C57-T60 PolarHBondContact O-N 3.24Å; C57-T60 PolarHBondContact O-OG1 3.14Å; C57-T60 VanDerWaalsContact O-OG1 3.07Å; C57-T61 WeakPolarHBondContact O-CB 3.39Å; C57-T61 PolarHBondContact O-N 3.29Å; C57-T61 PolarHBondContact O-OG1 3.04Å
58P90.3Very high91.7Very high58 Ų5871.6 Ų71.638%0.37740%0.403SS..Hα-helixtrans-64.4-38.4174.1-22.734.8000112.7I46 Q54 T60 T61 A62I46-P58 HydrophobicContact CD1-CG 4.02Å; I46-P58 HydrophobicContact CG1-CG 4.01Å; Q54-P58 WeakPolarHBondContact O-CD 3.35Å; Q54-P58 WeakPolarHBondContact O-CG 3.37Å; P58-T60 VanDerWaalsContact C-N 3.32Å; P58-T60 PolarHBondContact O-N 3.01Å; P58-T61 PolarHBondContact O-N 3.29Å; P58-A62 PolarHBondContact O-N 3.36Å
59H92.6Very high91.8Very high146 Ų14675.5 Ų75.568%0.67642%0.416SS*.Hα-helixtrans-70-26.7-179.4-169.7-77000112.8F56 C57 P63F56-H59 PolarHBondContact O-N 2.97Å; F56-H59 VanDerWaalsContact O-N 3.11Å; C57-H59 VanDerWaalsContact C-N 3.34Å; C57-H59 PolarHBondContact O-N 3.33Å; H59-P63 WeakPolarHBondContact O-CD 3.05Å; H59-P63 WeakPolarHBondContact O-CG 3.49Å
60T93.4Very high92.1Very high28 Ų2874.6 Ų74.617%0.17240%0.402CS..Hα-helixtrans-86.9-32.1172.851.80000112.9I42 F56 C57 P58 P63 I64I42-T60 VanDerWaalsContact CG2-OG1 3.25Å; I42-T60 WeakPolarHBondContact CG2-OG1 3.2Å; F56-T60 HydrophobicContact CD1-CG2 4.43Å; F56-T60 HydrophobicContact CD2-CG2 3.88Å; F56-T60 HydrophobicContact CE1-CG2 3.99Å; F56-T60 HydrophobicContact CE2-CG2 3.37Å; F56-T60 HydrophobicContact CG-CG2 4.39Å; F56-T60 HydrophobicContact CZ-CG2 3.45Å; F56-T60 VanDerWaalsContact CZ-CG2 3.45Å; F56-T60 PolarHBondContact O-N 2.82Å; F56-T60 PolarHBondContact O-OG1 3.45Å; C57-T60 PolarHBondContact O-N 3.24Å; C57-T60 PolarHBondContact O-OG1 3.14Å; C57-T60 VanDerWaalsContact O-OG1 3.07Å; P58-T60 VanDerWaalsContact C-N 3.32Å; P58-T60 PolarHBondContact O-N 3.01Å; T60-P63 VanDerWaalsContact O-CD 3.28Å; T60-P63 WeakPolarHBondContact O-CD 3.28Å; T60-P63 VanDerWaalsContact O-CG 3.29Å; T60-P63 WeakPolarHBondContact O-CG 3.28Å; T60-I64 VanDerWaalsContact O-CD1 3.26Å; T60-I64 WeakPolarHBondContact O-CD1 3.46Å; T60-I64 WeakPolarHBondContact O-CG1 3.33Å; T60-I64 PolarHBondContact O-N 3.03Å
61T92.5Very high92.1Very high20 Ų2073 Ų7312%0.12339%0.392CS..Hα-helixtrans-65.9-43.4178.6-55.80000112.2V39 I42 C57 P58 I64 V65V39-T61 HydrophobicContact CG1-CG2 3.92Å; I42-T61 VanDerWaalsContact CG2-OG1 3.28Å; I42-T61 WeakPolarHBondContact CG2-OG1 3.41Å; C57-T61 WeakPolarHBondContact O-CB 3.39Å; C57-T61 PolarHBondContact O-N 3.29Å; C57-T61 PolarHBondContact O-OG1 3.04Å; P58-T61 PolarHBondContact O-N 3.29Å; T61-I64 PolarHBondContact O-N 3.45Å; T61-V65 HydrophobicContact CG2-CG2 4.33Å; T61-V65 WeakPolarHBondContact O-CG2 3.44Å; T61-V65 PolarHBondContact O-N 3.37Å
62A92.4Very high92.2Very high58 Ų5870.5 Ų70.548%0.47938%0.379SS..Hα-helixtrans-58-49.3-179.300000114.8P58 V65 T66P58-A62 PolarHBondContact O-N 3.36Å; A62-V65 PolarHBondContact O-N 3.36Å; A62-T66 WeakPolarHBondContact O-CB 3.19Å; A62-T66 PolarHBondContact O-N 3.36Å; A62-T66 PolarHBondContact O-OG1 3.08Å
63P94Very high92.3Very high63 Ų6370.9 Ų70.941%0.40937%0.374SS..Hα-helixtrans-66.8-34.8176.623.4-31.9000112.3H59 T60 T66 T67H59-P63 WeakPolarHBondContact O-CD 3.05Å; H59-P63 WeakPolarHBondContact O-CG 3.49Å; T60-P63 VanDerWaalsContact O-CD 3.28Å; T60-P63 WeakPolarHBondContact O-CD 3.28Å; T60-P63 VanDerWaalsContact O-CG 3.29Å; T60-P63 WeakPolarHBondContact O-CG 3.28Å; P63-T66 CarbonylContact O-C 3.45Å; P63-T66 WeakPolarHBondContact O-CB 3.42Å; P63-T66 PolarHBondContact O-N 3.28Å; P63-T67 WeakPolarHBondContact O-CG2 3.35Å; P63-T67 PolarHBondContact O-N 3.01Å; P63-T67 PolarHBondContact O-OG1 2.74Å
64I94.5Very high92.4Very high39 Ų3973.2 Ų73.220%0.238%0.384CS..Hα-helixtrans-63.8-43177.2-67.1168.5000111.4V35 V39 I42 T60 T61 T66 T67 L68V35-I64 HydrophobicContact CG1-CG2 3.55Å; V39-I64 HydrophobicContact CG2-CB 4.32Å; V39-I64 HydrophobicContact CG2-CG2 3.57Å; I42-I64 HydrophobicContact CD1-CD1 3.4Å; I42-I64 VanDerWaalsContact CD1-CD1 3.4Å; T60-I64 VanDerWaalsContact O-CD1 3.26Å; T60-I64 WeakPolarHBondContact O-CD1 3.46Å; T60-I64 WeakPolarHBondContact O-CG1 3.33Å; T60-I64 PolarHBondContact O-N 3.03Å; T61-I64 PolarHBondContact O-N 3.45Å; I64-T66 VanDerWaalsContact C-N 3.31Å; I64-T66 PolarHBondContact O-N 3.09Å; I64-T67 WeakPolarHBondContact CA-OG1 3.42Å; I64-T67 PolarHBondContact O-N 3.23Å; I64-T67 PolarHBondContact O-OG1 3.04Å; I64-L68 PolarHBondContact O-N 2.86Å; I64-L68 VanDerWaalsContact O-N 3.13Å
65V93.1Very high92.4Very high51 Ų5174.3 Ų74.331%0.30939%0.39SS..Hα-helixtrans-64.2-41.2174.5173.10000110.5V39 T61 A62 L68 F69V39-V65 HydrophobicContact CG1-CG2 4.17Å; V39-V65 HydrophobicContact CG2-CG2 3.75Å; T61-V65 HydrophobicContact CG2-CG2 4.33Å; T61-V65 WeakPolarHBondContact O-CG2 3.44Å; T61-V65 PolarHBondContact O-N 3.37Å; A62-V65 PolarHBondContact O-N 3.36Å; V65-L68 WeakPolarHBondContact O-CB 3.27Å; V65-L68 PolarHBondContact O-N 2.98Å; V65-F69 HydrophobicContact CG1-CD2 4.08Å; V65-F69 HydrophobicContact CG1-CE2 3.71Å; V65-F69 WeakPolarHBondContact O-CD2 3.36Å; V65-F69 PolarHBondContact O-N 2.82Å
66T92.2Very high92.3Very high68 Ų6870 Ų7042%0.41737%0.368SS..Hα-helixtrans-63.4-42.5178.1-58.70000111.5A62 P63 I64 L68 F69 Y70A62-T66 WeakPolarHBondContact O-CB 3.19Å; A62-T66 PolarHBondContact O-N 3.36Å; A62-T66 PolarHBondContact O-OG1 3.08Å; P63-T66 CarbonylContact O-C 3.45Å; P63-T66 WeakPolarHBondContact O-CB 3.42Å; P63-T66 PolarHBondContact O-N 3.28Å; I64-T66 VanDerWaalsContact C-N 3.31Å; I64-T66 PolarHBondContact O-N 3.09Å; T66-L68 VanDerWaalsContact C-N 3.32Å; T66-L68 PolarHBondContact O-N 2.91Å; T66-F69 PolarHBondContact O-N 3.48Å; T66-Y70 HydrophobicContact CG2-CD2 3.63Å; T66-Y70 HydrophobicContact CG2-CE2 3.41Å; T66-Y70 VanDerWaalsContact CG2-CE2 3.41Å; T66-Y70 WeakPolarHBondContact O-CD2 3.48Å; T66-Y70 PolarHBondContact O-N 3.22Å
67T92.6Very high92.1Very high61 Ų6167 Ų6737%0.37437%0.366SS..Hα-helixtrans-66-33177.553.10000112.3P63 I64 Y70 Q71P63-T67 WeakPolarHBondContact O-CG2 3.35Å; P63-T67 PolarHBondContact O-N 3.01Å; P63-T67 PolarHBondContact O-OG1 2.74Å; I64-T67 WeakPolarHBondContact CA-OG1 3.42Å; I64-T67 PolarHBondContact O-N 3.23Å; I64-T67 PolarHBondContact O-OG1 3.04Å; T67-Y70 PolarHBondContact O-N 3.04Å; T67-Q71 WeakPolarHBondContact O-CB 3.46Å; T67-Q71 VanDerWaalsContact O-CG 3.25Å; T67-Q71 WeakPolarHBondContact O-CG 3.25Å; T67-Q71 PolarHBondContact O-N 3.47Å
68L94.2Very high92Very high29 Ų2970 Ų7015%0.15238%0.384CS..Hα-helixtrans-58.4-48.6171.8-178.561.5000111.4I31 V35 I64 V65 T66 Y70 Q71 L72I31-L68 HydrophobicContact CG2-CD1 4.46Å; V35-L68 HydrophobicContact CB-CD1 4.16Å; V35-L68 HydrophobicContact CG1-CB 3.93Å; V35-L68 HydrophobicContact CG1-CD1 4.33Å; V35-L68 HydrophobicContact CG1-CD2 4.24Å; V35-L68 HydrophobicContact CG1-CG 4.39Å; V35-L68 HydrophobicContact CG2-CD1 4.39Å; I64-L68 PolarHBondContact O-N 2.86Å; I64-L68 VanDerWaalsContact O-N 3.13Å; V65-L68 WeakPolarHBondContact O-CB 3.27Å; V65-L68 PolarHBondContact O-N 2.98Å; T66-L68 VanDerWaalsContact C-N 3.32Å; T66-L68 PolarHBondContact O-N 2.91Å; L68-Y70 PolarHBondContact O-N 3.3Å; L68-Q71 PolarHBondContact O-N 3.02Å; L68-L72 HydrophobicContact CD1-CD1 3.87Å; L68-L72 HydrophobicContact CD1-CG 4.08Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 WeakPolarHBondContact O-CG 3.13Å; L68-L72 PolarHBondContact O-N 3.13Å
69F93Very high91.9Very high133 Ų13371.5 Ų71.558%0.58339%0.386SS*.Hα-helixtrans-60.9-43.3177.1-76.4-70.8000112V65 T66 T73V65-F69 HydrophobicContact CG1-CD2 4.08Å; V65-F69 HydrophobicContact CG1-CE2 3.71Å; V65-F69 WeakPolarHBondContact O-CD2 3.36Å; V65-F69 PolarHBondContact O-N 2.82Å; T66-F69 PolarHBondContact O-N 3.48Å; F69-T73 WeakPolarHBondContact O-CB 3.44Å; F69-T73 WeakPolarHBondContact O-CG2 3.41Å; F69-T73 PolarHBondContact O-N 2.84Å; F69-T73 VanDerWaalsContact O-N 3.14Å; F69-T73 PolarHBondContact O-OG1 3.44Å
70Y93.4Very high91.5Very high140 Ų14065.9 Ų65.955%0.54937%0.365SS..Hα-helixtrans-66.1-38.6177.3-82.1-70.2000113.2T66 T67 L68 I74 M75T66-Y70 HydrophobicContact CG2-CD2 3.63Å; T66-Y70 HydrophobicContact CG2-CE2 3.41Å; T66-Y70 VanDerWaalsContact CG2-CE2 3.41Å; T66-Y70 WeakPolarHBondContact O-CD2 3.48Å; T66-Y70 PolarHBondContact O-N 3.22Å; T67-Y70 PolarHBondContact O-N 3.04Å; L68-Y70 PolarHBondContact O-N 3.3Å; Y70-I74 HydrophobicContact CD1-CD1 3.57Å; Y70-I74 HydrophobicContact CE1-CD1 3.73Å; Y70-I74 PolarHBondContact O-N 3.22Å; Y70-I74 VanDerWaalsContact O-N 3.14Å; Y70-M75 PolarHBondContact O-N 2.8Å; Y70-M75 VanDerWaalsContact O-N 3.14Å
71Q91.8Very high91.2Very high75 Ų7569.6 Ų69.635%0.3538%0.383SS..Iπ-helixtrans-66.5-49.4177.4-74.4176.42300110.6I31 T67 L68 T73 M75 M76I31-Q71 VanDerWaalsContact CG2-OE1 3.26Å; T67-Q71 WeakPolarHBondContact O-CB 3.46Å; T67-Q71 VanDerWaalsContact O-CG 3.25Å; T67-Q71 WeakPolarHBondContact O-CG 3.25Å; T67-Q71 PolarHBondContact O-N 3.47Å; L68-Q71 PolarHBondContact O-N 3.02Å; Q71-T73 PolarHBondContact O-N 3.41Å; Q71-M75 WeakPolarHBondContact O-CB 3.26Å; Q71-M76 WeakPolarHBondContact O-CG 3.17Å; Q71-M76 PolarHBondContact O-N 3.41Å; Q71-M76 VanDerWaalsContact O-N 3.16Å
72L91.4Very high90.7Very high64 Ų6471.2 Ų71.234%0.33539%0.393SS..Iπ-helixtrans-67.3-30.8-177.5-68.6177.8000114.1A28 L68A28-L72 HydrophobicContact CB-CD2 3.87Å; L68-L72 HydrophobicContact CD1-CD1 3.87Å; L68-L72 HydrophobicContact CD1-CG 4.08Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 WeakPolarHBondContact O-CG 3.13Å; L68-L72 PolarHBondContact O-N 3.13Å
73T91.1Very high90.1Very high82 Ų8271.5 Ų71.550%0.50339%0.386SS..Iπ-helixtrans-96.3-68.8-175.756.70000112.2F69 Q71 A77F69-T73 WeakPolarHBondContact O-CB 3.44Å; F69-T73 WeakPolarHBondContact O-CG2 3.41Å; F69-T73 PolarHBondContact O-N 2.84Å; F69-T73 VanDerWaalsContact O-N 3.14Å; F69-T73 PolarHBondContact O-OG1 3.44Å; Q71-T73 PolarHBondContact O-N 3.41Å; T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 2.93Å
74I92.2Very high89.4Confident95 Ų9576.3 Ų76.349%0.48740%0.396SS..Iπ-helixtrans-76.9-46.9-170.2-70.3162.9000110.6Y70 A77 V78Y70-I74 HydrophobicContact CD1-CD1 3.57Å; Y70-I74 HydrophobicContact CE1-CD1 3.73Å; Y70-I74 PolarHBondContact O-N 3.22Å; Y70-I74 VanDerWaalsContact O-N 3.14Å; I74-A77 PolarHBondContact O-N 2.97Å; I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 WeakPolarHBondContact O-CB 3.25Å; I74-V78 WeakPolarHBondContact O-CG2 3.4Å; I74-V78 PolarHBondContact O-N 2.96Å
75M90.4Very high88.6Confident101 Ų10176.9 Ų76.950%0.49840%0.401SS..Iπ-helixtrans-66.4-47.6-176.8-170.966.472.600111.5Y70 Q71 A77 V78 Q79Y70-M75 PolarHBondContact O-N 2.8Å; Y70-M75 VanDerWaalsContact O-N 3.14Å; Q71-M75 WeakPolarHBondContact O-CB 3.26Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 2.8Å; M75-V78 PolarHBondContact O-N 3.46Å; M75-Q79 HydrophobicContact CG-CG 4.45Å; M75-Q79 WeakPolarHBondContact O-CB 3.17Å; M75-Q79 WeakPolarHBondContact O-CG 3.28Å; M75-Q79 PolarHBondContact O-N 3.21Å
76M88.1Confident87.5Confident24 Ų2477.9 Ų77.912%0.11840%0.402CS..Hα-helixtrans-60.4-40.7176.7-63-58.9-75.400111.9M24 A28 Q71 Q79 A80M24-M76 HydrophobicContact CB-CE 3.36Å; M24-M76 HydrophobicContact CG-CE 3.52Å; M24-M76 VanDerWaalsContact O-CE 3.3Å; M24-M76 WeakPolarHBondContact O-CE 3.36Å; M24-M76 HydrophobicContact SD-CE 4.12Å; A28-M76 HydrophobicContact CB-CE 4.27Å; Q71-M76 WeakPolarHBondContact O-CG 3.17Å; Q71-M76 PolarHBondContact O-N 3.41Å; Q71-M76 VanDerWaalsContact O-N 3.16Å; M76-Q79 PolarHBondContact O-N 2.99Å; M76-A80 WeakPolarHBondContact O-CB 3.21Å; M76-A80 PolarHBondContact O-N 3.39Å
77A89.2Confident85.9Confident62 Ų6284.9 Ų84.951%0.51242%0.421SS..Hα-helixtrans-64.9-41.817600000112.5T73 I74 M75 A80 L81T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 2.93Å; I74-A77 PolarHBondContact O-N 2.97Å; M75-A77 VanDerWaalsContact C-N 3.32Å; M75-A77 PolarHBondContact O-N 2.8Å; A77-A80 PolarHBondContact O-N 2.88Å; A77-L81 WeakPolarHBondContact O-CB 3.29Å; A77-L81 PolarHBondContact O-N 3.3Å
78V90.1Very high84.4Confident73 Ų7386.5 Ų86.544%0.44243%0.431SS..Hα-helixtrans-65.6-40.4175.5170.10000110.8I74 M75 L81 T82I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 WeakPolarHBondContact O-CB 3.25Å; I74-V78 WeakPolarHBondContact O-CG2 3.4Å; I74-V78 PolarHBondContact O-N 2.96Å; M75-V78 PolarHBondContact O-N 3.46Å; V78-L81 PolarHBondContact O-N 3Å; V78-T82 WeakPolarHBondContact O-CB 3.19Å; V78-T82 PolarHBondContact O-N 3.46Å; V78-T82 PolarHBondContact O-OG1 3.48Å
79Q87.3Confident82.6Confident89 Ų8989.5 Ų89.542%0.41644%0.443SS..Hα-helixtrans-64.4-44.3174.5-74.3177.4-29.400111.2M24 M75 M76 L81 T82 L83M24-Q79 HydrophobicContact CE-CB 3.92Å; M75-Q79 HydrophobicContact CG-CG 4.45Å; M75-Q79 WeakPolarHBondContact O-CB 3.17Å; M75-Q79 WeakPolarHBondContact O-CG 3.28Å; M75-Q79 PolarHBondContact O-N 3.21Å; M76-Q79 PolarHBondContact O-N 2.99Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 3.4Å; Q79-T82 WeakPolarHBondContact O-CB 3.35Å; Q79-T82 PolarHBondContact O-N 3.49Å; Q79-T82 VanDerWaalsContact O-N 3.1Å; Q79-L83 VanDerWaalsContact O-CG 3.27Å; Q79-L83 WeakPolarHBondContact O-CG 2.91Å; Q79-L83 PolarHBondContact O-N 2.87Å
80A85.7Confident81Confident28 Ų2885.2 Ų85.223%0.23143%0.428CS..Hα-helixtrans-60.7-39.6175.500000112.5M24 M76 A77 R84M24-A80 VanDerWaalsContact CE-CA 3.44Å; M24-A80 HydrophobicContact CE-CB 3.67Å; M24-A80 VanDerWaalsContact CE-N 3.27Å; M24-A80 HydrophobicContact SD-CB 3.94Å; M76-A80 WeakPolarHBondContact O-CB 3.21Å; M76-A80 PolarHBondContact O-N 3.39Å; A77-A80 PolarHBondContact O-N 2.88Å; A80-R84 WeakPolarHBondContact O-CG 3.26Å; A80-R84 PolarHBondContact O-N 3.22Å
81L85.6Confident79.2Confident107 Ų10788.8 Ų88.856%0.5644%0.44SS*.Hα-helixtrans-66.3-44.4172.4-177.461.8000111.3A77 V78 Q79 L83 R84 V85A77-L81 WeakPolarHBondContact O-CB 3.29Å; A77-L81 PolarHBondContact O-N 3.3Å; V78-L81 PolarHBondContact O-N 3Å; Q79-L81 VanDerWaalsContact C-N 3.31Å; Q79-L81 PolarHBondContact O-N 3.4Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 3.49Å; L81-R84 WeakPolarHBondContact O-CB 3.36Å; L81-R84 PolarHBondContact O-N 2.81Å; L81-R84 VanDerWaalsContact O-N 3.1Å; L81-V85 HydrophobicContact CD1-CG1 4.24Å; L81-V85 WeakPolarHBondContact O-CG2 3.19Å; L81-V85 PolarHBondContact O-N 2.85Å
82T83.5Confident77.6Confident53 Ų5392 Ų9233%0.32546%0.459SS..Hα-helixtrans-57.2-47.6179.6-58.30000110.5V78 Q79 R84 V85 E86V78-T82 WeakPolarHBondContact O-CB 3.19Å; V78-T82 PolarHBondContact O-N 3.46Å; V78-T82 PolarHBondContact O-OG1 3.48Å; Q79-T82 WeakPolarHBondContact O-CB 3.35Å; Q79-T82 PolarHBondContact O-N 3.49Å; Q79-T82 VanDerWaalsContact O-N 3.1Å; T82-R84 VanDerWaalsContact C-N 3.31Å; T82-R84 PolarHBondContact O-N 3.42Å; T82-V85 CarbonylContact O-C 3.54Å; T82-V85 WeakPolarHBondContact O-CG2 3.3Å; T82-V85 PolarHBondContact O-N 3.41Å; T82-E86 WeakPolarHBondContact O-CG 3.28Å; T82-E86 PolarHBondContact O-N 2.84Å
83L79.7Confident76.1Confident64 Ų6496.2 Ų96.234%0.33548%0.475SS..Hα-helixtrans-58.3-39.7176.1-66.6172.7000112.3I20 M24 Q79 L81 E86I20-L83 HydrophobicContact CB-CD1 4.33Å; I20-L83 HydrophobicContact CD1-CB 3.76Å; I20-L83 HydrophobicContact CD1-CD1 4.04Å; I20-L83 HydrophobicContact CG1-CD1 3.91Å; I20-L83 HydrophobicContact CG2-CD1 3.51Å; M24-L83 HydrophobicContact CE-CD1 3.56Å; Q79-L83 VanDerWaalsContact O-CG 3.27Å; Q79-L83 WeakPolarHBondContact O-CG 2.91Å; Q79-L83 PolarHBondContact O-N 2.87Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 3.49Å; L83-E86 VanDerWaalsContact CD2-OE1 3.3Å; L83-E86 WeakPolarHBondContact CD2-OE1 3.26Å
84R78.3Confident74.2Confident165 Ų16595.1 Ų95.162%0.62347%0.466SS*.Hα-helixtrans-67.8-36.7175.1-71.1178.9-179.2-149.7-0.2112.6A80 L81 T82A80-R84 WeakPolarHBondContact O-CG 3.26Å; A80-R84 PolarHBondContact O-N 3.22Å; L81-R84 WeakPolarHBondContact O-CB 3.36Å; L81-R84 PolarHBondContact O-N 2.81Å; L81-R84 VanDerWaalsContact O-N 3.1Å; T82-R84 VanDerWaalsContact C-N 3.31Å; T82-R84 PolarHBondContact O-N 3.42Å
85V78.2Confident72Confident50 Ų5099.7 Ų99.730%0.30349%0.488SS..Hα-helixtrans-92.45.2-178.5-56.80000113.8L81 T82 R87 T88 F89L81-V85 HydrophobicContact CD1-CG1 4.24Å; L81-V85 WeakPolarHBondContact O-CG2 3.19Å; L81-V85 PolarHBondContact O-N 2.85Å; T82-V85 CarbonylContact O-C 3.54Å; T82-V85 WeakPolarHBondContact O-CG2 3.3Å; T82-V85 PolarHBondContact O-N 3.41Å; V85-R87 PolarHBondContact O-N 2.89Å; V85-T88 CarbonylContact O-C 3.6Å; V85-T88 WeakPolarHBondContact O-CA 3.44Å; V85-T88 WeakPolarHBondContact O-CB 3.32Å; V85-T88 PolarHBondContact O-N 3.24Å; V85-F89 HydrophobicContact CG2-CB 4.1Å; V85-F89 PolarHBondContact O-N 3.28Å
86E70.1Confident69.9Low72 Ų7298.4 Ų98.434%0.33650%0.501SS..Hα-helixtrans-51.5-35.9-175-84.8-177.4165.700113.3T82 L83 T88 T90 I101T82-E86 WeakPolarHBondContact O-CG 3.28Å; T82-E86 PolarHBondContact O-N 2.84Å; L83-E86 VanDerWaalsContact CD2-OE1 3.3Å; L83-E86 WeakPolarHBondContact CD2-OE1 3.26Å; E86-T88 VanDerWaalsContact C-N 3.26Å; E86-T88 PolarHBondContact O-N 2.99Å; E86-T90 WeakPolarHBondContact O-CB 3.26Å; E86-T90 PolarHBondContact O-N 2.86Å; E86-T90 VanDerWaalsContact O-N 3.12Å; E86-T90 PolarHBondContact O-OG1 3.18Å; E86-I101 HydrophobicContact CB-CD1 4.29Å; E86-I101 WeakPolarHBondContact OE2-CD1 3.06Å
87R57.5Low68Low216 Ų216101.3 Ų101.382%0.81552%0.52SS*.Hα-helixtrans-66.1-25.9174.9-81.3-174.3-100.4168.2-6.3114.1V85V85-R87 PolarHBondContact O-N 2.89Å
88T61.6Low66Low95 Ų95100.3 Ų100.358%0.58352%0.515SS*.Hα-helixtrans-96.7-40.6-179.9-52.30000111.7V85 E86 R91 L92V85-T88 CarbonylContact O-C 3.6Å; V85-T88 WeakPolarHBondContact O-CA 3.44Å; V85-T88 WeakPolarHBondContact O-CB 3.32Å; V85-T88 PolarHBondContact O-N 3.24Å; E86-T88 VanDerWaalsContact C-N 3.26Å; E86-T88 PolarHBondContact O-N 2.99Å; T88-R91 WeakPolarHBondContact O-CB 3.33Å; T88-R91 PolarHBondContact O-N 3.43Å; T88-L92 PolarHBondContact O-N 2.95Å
89F56.7Low64.2Low92 Ų9299.8 Ų99.840%0.40451%0.512SS..Hα-helixtrans-69.3-37.3-179.3-168.7-96.8000112V85 R91 L92 F93V85-F89 HydrophobicContact CG2-CB 4.1Å; V85-F89 PolarHBondContact O-N 3.28Å; F89-R91 PolarHBondContact O-N 3.45Å; F89-L92 PolarHBondContact O-N 3.4Å; F89-F93 HydrophobicContact CD1-CB 4.49Å; F89-F93 HydrophobicContact CD2-CD2 4.26Å; F89-F93 HydrophobicContact CE1-CB 3.97Å; F89-F93 AromaticContact CE1-CD2 3.96Å; F89-F93 HydrophobicContact CE1-CD2 3.96Å; F89-F93 HydrophobicContact CE1-CG 4.12Å; F89-F93 AromaticContact CE2-CD2 3.43Å; F89-F93 HydrophobicContact CE2-CD2 3.43Å; F89-F93 VanDerWaalsContact CE2-CD2 3.43Å; F89-F93 AromaticContact CE2-CE2 3.8Å; F89-F93 HydrophobicContact CE2-CE2 3.8Å; F89-F93 HydrophobicContact CE2-CG 4.38Å; F89-F93 HydrophobicContact CZ-CB 4.14Å; F89-F93 AromaticContact CZ-CD2 3.24Å; F89-F93 HydrophobicContact CZ-CD2 3.24Å; F89-F93 AromaticContact CZ-CE2 3.76Å; F89-F93 HydrophobicContact CZ-CE2 3.76Å; F89-F93 AromaticContact CZ-CG 3.79Å; F89-F93 HydrophobicContact CZ-CG 3.79Å; F89-F93 PolarHBondContact O-N 3.28Å
90T59.3Low62.2Low42 Ų42101.2 Ų101.226%0.25852%0.523SS..Hα-helixtrans-63-9.1170.9-51.70000112.6E86 N94 V99E86-T90 WeakPolarHBondContact O-CB 3.26Å; E86-T90 PolarHBondContact O-N 2.86Å; E86-T90 VanDerWaalsContact O-N 3.12Å; E86-T90 PolarHBondContact O-OG1 3.18Å; T90-N94 VanDerWaalsContact CG2-ND2 3.25Å; T90-N94 WeakPolarHBondContact CG2-ND2 3.34Å; T90-N94 WeakPolarHBondContact O-CB 3.17Å; T90-N94 PolarHBondContact O-ND2 3.35Å; T90-V99 HydrophobicContact CG2-CB 4.21Å
91R55.8Low60.6Low216 Ų216103.6 Ų103.682%0.81553%0.531SS*.Hα-helixtrans-97.4-24.4169.3-64.2-175.6-179.2163.60.5113.1T88 F89T88-R91 WeakPolarHBondContact O-CB 3.33Å; T88-R91 PolarHBondContact O-N 3.43Å; F89-R91 PolarHBondContact O-N 3.45Å
92L58.2Low58.6Low142 Ų142106.1 Ų106.174%0.74354%0.54SS*.Hα-helixtrans-85.7-36.3-176.4-14280.9000112.4T88 F89T88-L92 PolarHBondContact O-N 2.95Å; F89-L92 PolarHBondContact O-N 3.4Å
93F59.9Low56.7Low152 Ų152108.3 Ų108.367%0.66756%0.563SS**SBendtrans-107.14.3-176.7-95.8-86.5000114.6F89 M95F89-F93 HydrophobicContact CD1-CB 4.49Å; F89-F93 HydrophobicContact CD2-CD2 4.26Å; F89-F93 HydrophobicContact CE1-CB 3.97Å; F89-F93 AromaticContact CE1-CD2 3.96Å; F89-F93 HydrophobicContact CE1-CD2 3.96Å; F89-F93 HydrophobicContact CE1-CG 4.12Å; F89-F93 AromaticContact CE2-CD2 3.43Å; F89-F93 HydrophobicContact CE2-CD2 3.43Å; F89-F93 VanDerWaalsContact CE2-CD2 3.43Å; F89-F93 AromaticContact CE2-CE2 3.8Å; F89-F93 HydrophobicContact CE2-CE2 3.8Å; F89-F93 HydrophobicContact CE2-CG 4.38Å; F89-F93 HydrophobicContact CZ-CB 4.14Å; F89-F93 AromaticContact CZ-CD2 3.24Å; F89-F93 HydrophobicContact CZ-CD2 3.24Å; F89-F93 AromaticContact CZ-CE2 3.76Å; F89-F93 HydrophobicContact CZ-CE2 3.76Å; F89-F93 AromaticContact CZ-CG 3.79Å; F89-F93 HydrophobicContact CZ-CG 3.79Å; F89-F93 PolarHBondContact O-N 3.28Å; F93-M95 PolarHBondContact O-N 3.04Å
94N50.3Low54.9Low60 Ų60108.4 Ų108.432%0.32157%0.573SS.*  trans-80.289.9-179.7-124.1-36.6000113.3T90 G96 T97T90-N94 VanDerWaalsContact CG2-ND2 3.25Å; T90-N94 WeakPolarHBondContact CG2-ND2 3.34Å; T90-N94 WeakPolarHBondContact O-CB 3.17Å; T90-N94 PolarHBondContact O-ND2 3.35Å; N94-G96 PolarHBondContact O-N 3.41Å; N94-G96 VanDerWaalsContact O-N 3.08Å; N94-T97 VanDerWaalsContact CG-O 3.29Å; N94-T97 PolarHBondContact ND2-O 2.69Å; N94-T97 WeakPolarHBondContact OD1-CA 3.35Å; N94-T97 PolarHBondContact OD1-N 3.24Å; N94-T97 PolarHBondContact OD1-O 2.97Å
95M46.8Very low52.6Low190 Ų190111.1 Ų111.194%0.93659%0.589SS**SBendtrans-72.372145.6-87.9177.9159.800109.7F93F93-M95 PolarHBondContact O-N 3.04Å
96G46.9Very low50.5Low75 Ų75111.9 Ų111.977%0.77361%0.608SS**SBendtrans87.110.4153.700000119.5N94N94-G96 PolarHBondContact O-N 3.41Å; N94-G96 VanDerWaalsContact O-N 3.08Å
97T47.1Very low49.1Very low85 Ų85110.3 Ų110.352%0.52161%0.611SS.*  trans-120.284.4175.3-42.80000110.9N94 V99N94-T97 VanDerWaalsContact CG-O 3.29Å; N94-T97 PolarHBondContact ND2-O 2.69Å; N94-T97 WeakPolarHBondContact OD1-CA 3.35Å; N94-T97 PolarHBondContact OD1-N 3.24Å; N94-T97 PolarHBondContact OD1-O 2.97Å; T97-V99 PolarHBondContact O-N 2.98Å
98G48.3Very low47.9Very low40 Ų40103.3 Ų103.341%0.41260%0.595SS.*  trans-56.6109.7173.300000111.1D100 R113G98-D100 PolarHBondContact O-N 2.84Å; G98-R113 PolarHBondContact O-NH2 3.41Å
99V52.3Low47.3Very low63 Ų63104.1 Ų104.138%0.38260%0.595SS.*  trans-91.392.3167.4-178.30000106.2T90 T97 I101 I112T90-V99 HydrophobicContact CG2-CB 4.21Å; T97-V99 PolarHBondContact O-N 2.98Å; V99-I101 HydrophobicContact CG1-CG1 4.13Å; V99-I101 PolarHBondContact O-N 3.32Å; V99-I112 HydrophobicContact CG1-CG2 3.66Å
100D44.7Very low46.6Very low118 Ų118106.8 Ų106.863%0.63161%0.609SS**  trans-77.795.8172.4-79.6-35.2000109.1G98 Q102 I112G98-D100 PolarHBondContact O-N 2.84Å; D100-Q102 PolarHBondContact O-N 3.42Å; D100-I112 WeakPolarHBondContact O-CG2 3.4Å
101I52.3Low46.1Very low78 Ų78108.8 Ų108.840%0.462%0.623SS.*  trans-70.483.3167.2-55.7-175.6000107.5E86 V99 A103 I112E86-I101 HydrophobicContact CB-CD1 4.29Å; E86-I101 WeakPolarHBondContact OE2-CD1 3.06Å; V99-I101 HydrophobicContact CG1-CG1 4.13Å; V99-I101 PolarHBondContact O-N 3.32Å; I101-A103 PolarHBondContact O-N 2.91Å; I101-I112 HydrophobicContact CB-CD1 3.75Å; I101-I112 HydrophobicContact CB-CG1 4.44Å; I101-I112 HydrophobicContact CG1-CD1 3.91Å; I101-I112 HydrophobicContact CG1-CG2 4.41Å; I101-I112 HydrophobicContact CG2-CD1 3.37Å; I101-I112 HydrophobicContact CG2-CG1 4.47Å
102Q42.4Very low45.8Very low160 Ų160100.9 Ų100.975%0.74860%0.596SS**  trans-77.4115169-75.9-169.11500108.9D100 A104D100-Q102 PolarHBondContact O-N 3.42Å; Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-A104 PolarHBondContact O-N 3.28Å
103A44.8Very low45.5Very low99 Ų99101.5 Ų101.582%0.81859%0.588SS**  trans-61.896166.800000108.7I101 K105I101-A103 PolarHBondContact O-N 2.91Å; A103-K105 PolarHBondContact O-N 2.77Å
104A40.6Very low45.4Very low66 Ų6697.3 Ų97.355%0.54558%0.576SS.*  trans-59.9122.7172.500000108.7Q102 G106Q102-A104 VanDerWaalsContact C-N 3.34Å; Q102-A104 PolarHBondContact O-N 3.28Å; A104-G106 VanDerWaalsContact C-N 3.31Å; A104-G106 PolarHBondContact O-N 2.92Å
105K31.1Very low46.3Very low222 Ų222100 Ų10097%0.96559%0.591SS**THydrogen-bonded Turntrans-59.592.9166.7-91.8179.4167179.30108.2A103A103-K105 PolarHBondContact O-N 2.77Å
106G34Very low47.7Very low67 Ų6798.9 Ų98.969%0.69158%0.581SS**THydrogen-bonded Turntrans157.51617600000117.6A104 S108A104-G106 VanDerWaalsContact C-N 3.31Å; A104-G106 PolarHBondContact O-N 2.92Å; G106-S108 PolarHBondContact O-N 3.12Å
107G40.5Very low49.2Very low39 Ų3998.5 Ų98.540%0.40257%0.571SS.*SBendtrans71.8-19.5174.300000115.5L109G107-L109 PolarHBondContact O-N 3.06Å
108S32.8Very low50.7Low68 Ų6899.2 Ų99.248%0.47657%0.568SS.*  trans-77.1101.5171.7-164.50000109.9G106 E110G106-S108 PolarHBondContact O-N 3.12Å; S108-E110 PolarHBondContact O-N 3.38Å; S108-E110 VanDerWaalsContact O-N 3.09Å; S108-E110 WeakPolarHBondContact OG-CG 3.37Å
109L48.4Very low52.2Low112 Ų112103 Ų10359%0.58657%0.573SS**  trans-81.274.5166.1-156.7147.7000106.3R19 G107R19-L109 VanDerWaalsContact NH2-CD1 3.34Å; G107-L109 PolarHBondContact O-N 3.06Å
110E41.6Very low53.7Low149 Ų149103.6 Ų103.670%0.69657%0.573SS**  trans-64.2135.7168.5-66.6-157.8124.400108.1S108 I112S108-E110 PolarHBondContact O-N 3.38Å; S108-E110 VanDerWaalsContact O-N 3.09Å; S108-E110 WeakPolarHBondContact OG-CG 3.37Å; E110-I112 PolarHBondContact O-N 2.94Å
111P49.8Very low55.7Low84 Ų84102.7 Ų102.755%0.54557%0.567SS.*  trans-55.3119.4178.521.8-31.3000109.3R113P111-R113 PolarHBondContact O-N 3.42Å
112I49.8Very low57.3Low50 Ų50105.1 Ų105.126%0.25658%0.577SS.*SBendtrans-60.7100.5174.2-71.8122.7000107.5V99 D100 I101 E110V99-I112 HydrophobicContact CG1-CG2 3.66Å; D100-I112 WeakPolarHBondContact O-CG2 3.4Å; I101-I112 HydrophobicContact CB-CD1 3.75Å; I101-I112 HydrophobicContact CB-CG1 4.44Å; I101-I112 HydrophobicContact CG1-CD1 3.91Å; I101-I112 HydrophobicContact CG1-CG2 4.41Å; I101-I112 HydrophobicContact CG2-CD1 3.37Å; I101-I112 HydrophobicContact CG2-CG1 4.47Å; E110-I112 PolarHBondContact O-N 2.94Å
113R51.9Low59.4Low155 Ų155102.3 Ų102.359%0.58557%0.567SS**SBendtrans65111.7-171-56.3-177-176.2-169.24111.8G98 P111 D115G98-R113 PolarHBondContact O-NH2 3.41Å; P111-R113 PolarHBondContact O-N 3.42Å; R113-D115 PolarHBondContact O-N 3.49Å
114P56.2Low61.3Low63 Ų63105.6 Ų105.641%0.40956%0.558SS.*  trans-57.6122.5165.426.4-32.4000106.3F116 Q118 K119P114-F116 PolarHBondContact O-N 3.01Å; P114-Q118 HydrophobicContact CB-CB 4.2Å; P114-K119 HydrophobicContact CB-CB 4.19Å; P114-K119 HydrophobicContact CG-CB 4.25Å; P114-K119 HydrophobicContact CG-CD 4.43Å
115D69.7Low63.5Low118 Ų118108.5 Ų108.563%0.63156%0.556SS**  trans-48.7143.8169.4-88.5-35000107.7R113 A117 Q118 K119R113-D115 PolarHBondContact O-N 3.49Å; D115-A117 CarbonylContact O-C 3.51Å; D115-A117 PolarHBondContact O-N 3.45Å; D115-Q118 HydrophobicContact CB-CG 4.48Å; D115-Q118 WeakPolarHBondContact O-CA 3.13Å; D115-Q118 PolarHBondContact O-N 3.33Å; D115-K119 PolarHBondContact O-N 3.18Å
116F77.1Confident66.3Low165 Ų165101 Ų10172%0.72453%0.529SS*.Hα-helixtrans-47.4-35.9179172.5-99.9000111.3P114 K119 M120P114-F116 PolarHBondContact O-N 3.01Å; F116-K119 PolarHBondContact O-N 2.97Å; F116-M120 HydrophobicContact CD1-CG 4.14Å; F116-M120 HydrophobicContact CD2-CG 4.2Å; F116-M120 HydrophobicContact CE1-CG 3.73Å; F116-M120 HydrophobicContact CE2-CG 3.8Å; F116-M120 HydrophobicContact CE2-SD 4.12Å; F116-M120 HydrophobicContact CG-CG 4.36Å; F116-M120 HydrophobicContact CZ-CG 3.54Å; F116-M120 HydrophobicContact CZ-SD 3.9Å; F116-M120 VanDerWaalsContact O-CB 3.26Å; F116-M120 WeakPolarHBondContact O-CB 3.14Å; F116-M120 WeakPolarHBondContact O-CG 3.31Å; F116-M120 PolarHBondContact O-N 3.49Å
117A77.1Confident68.9Low68 Ų68101 Ų10156%0.56252%0.517SS*.Hα-helixtrans-61.6-48173.100000113.9D115 M120 L121D115-A117 CarbonylContact O-C 3.51Å; D115-A117 PolarHBondContact O-N 3.45Å; A117-M120 PolarHBondContact O-N 3.22Å; A117-L121 VanDerWaalsContact O-CB 3.26Å; A117-L121 WeakPolarHBondContact O-CB 3.11Å; A117-L121 PolarHBondContact O-N 3.48Å
118Q78.7Confident71.3Confident99 Ų99102.5 Ų102.546%0.46352%0.518SS..Hα-helixtrans-63.3-44.2176.5-71.7-175-33.800111P114 D115 M120 L121 E122P114-Q118 HydrophobicContact CB-CB 4.2Å; D115-Q118 HydrophobicContact CB-CG 4.48Å; D115-Q118 WeakPolarHBondContact O-CA 3.13Å; D115-Q118 PolarHBondContact O-N 3.33Å; Q118-M120 VanDerWaalsContact C-N 3.34Å; Q118-M120 PolarHBondContact O-N 3.1Å; Q118-L121 PolarHBondContact O-N 2.92Å; Q118-E122 WeakPolarHBondContact O-CB 3.31Å; Q118-E122 PolarHBondContact O-N 3.43Å
119K79.8Confident73.9Confident121 Ų121102.6 Ų102.653%0.52651%0.513SS..Hα-helixtrans-63.6-39.8178.6-165.4173.5-178.8172.80112.1P114 D115 F116 N123P114-K119 HydrophobicContact CB-CB 4.19Å; P114-K119 HydrophobicContact CG-CB 4.25Å; P114-K119 HydrophobicContact CG-CD 4.43Å; D115-K119 PolarHBondContact O-N 3.18Å; F116-K119 PolarHBondContact O-N 2.97Å; K119-N123 WeakPolarHBondContact CG-ND2 2.91Å; K119-N123 VanDerWaalsContact O-CB 3.25Å; K119-N123 WeakPolarHBondContact O-CB 3.25Å; K119-N123 PolarHBondContact O-N 3.2Å; K119-N123 PolarHBondContact O-ND2 3.31Å
120M84.9Confident75.7Confident75 Ų75104.7 Ų104.737%0.36952%0.521SS..Hα-helixtrans-68-40.3174.7-77.8-67-62.300111.9F116 A117 Q118 W124 Y125F116-M120 HydrophobicContact CD1-CG 4.14Å; F116-M120 HydrophobicContact CD2-CG 4.2Å; F116-M120 HydrophobicContact CE1-CG 3.73Å; F116-M120 HydrophobicContact CE2-CG 3.8Å; F116-M120 HydrophobicContact CE2-SD 4.12Å; F116-M120 HydrophobicContact CG-CG 4.36Å; F116-M120 HydrophobicContact CZ-CG 3.54Å; F116-M120 HydrophobicContact CZ-SD 3.9Å; F116-M120 VanDerWaalsContact O-CB 3.26Å; F116-M120 WeakPolarHBondContact O-CB 3.14Å; F116-M120 WeakPolarHBondContact O-CG 3.31Å; F116-M120 PolarHBondContact O-N 3.49Å; A117-M120 PolarHBondContact O-N 3.22Å; Q118-M120 VanDerWaalsContact C-N 3.34Å; Q118-M120 PolarHBondContact O-N 3.1Å; M120-W124 HydrophobicContact CE-CB 4.48Å; M120-W124 HydrophobicContact CE-CD2 4.44Å; M120-W124 HydrophobicContact CE-CE3 4.2Å; M120-W124 WeakPolarHBondContact O-CB 3.48Å; M120-W124 PolarHBondContact O-N 3.11Å; M120-Y125 PolarHBondContact O-N 3.22Å; M120-Y125 VanDerWaalsContact O-N 3.12Å
121L86.9Confident78.1Confident98 Ų98103 Ų10351%0.51351%0.513SS..Iπ-helixtrans-63.6-50.6178-172.6147.9000110.3A117 Q118 Y125 V126A117-L121 VanDerWaalsContact O-CB 3.26Å; A117-L121 WeakPolarHBondContact O-CB 3.11Å; A117-L121 PolarHBondContact O-N 3.48Å; Q118-L121 PolarHBondContact O-N 2.92Å; L121-Y125 HydrophobicContact CG-CD1 4.35Å; L121-Y125 WeakPolarHBondContact O-CB 3.44Å; L121-Y125 PolarHBondContact O-N 3.07Å; L121-V126 HydrophobicContact CD2-CG2 3.72Å; L121-V126 VanDerWaalsContact O-CG2 3.27Å; L121-V126 WeakPolarHBondContact O-CG2 3.47Å; L121-V126 PolarHBondContact O-N 2.93Å
122E85.3Confident80Confident130 Ų130109.6 Ų109.661%0.60753%0.527SS*.Iπ-helixtrans-69.3-47.4-177.6-170.8-177.9175.200112.7Q118 P127Q118-E122 WeakPolarHBondContact O-CB 3.31Å; Q118-E122 PolarHBondContact O-N 3.43Å; E122-P127 WeakPolarHBondContact O-CD 3.42Å
123N86.8Confident82Confident100 Ų100111.6 Ų111.654%0.53554%0.542SS..Iπ-helixtrans-84.1-26-172-67.3-66.4000114.3K119 P127K119-N123 WeakPolarHBondContact CG-ND2 2.91Å; K119-N123 VanDerWaalsContact O-CB 3.25Å; K119-N123 WeakPolarHBondContact O-CB 3.25Å; K119-N123 PolarHBondContact O-N 3.2Å; K119-N123 PolarHBondContact O-ND2 3.31Å; N123-P127 WeakPolarHBondContact O-CG 3.4Å
124W83.6Confident83.8Confident169 Ų169108 Ų10864%0.6453%0.532SS*.Iπ-helixtrans-117.5-50.8-174.1-172.873.6000112M120 V128M120-W124 HydrophobicContact CE-CB 4.48Å; M120-W124 HydrophobicContact CE-CD2 4.44Å; M120-W124 HydrophobicContact CE-CE3 4.2Å; M120-W124 WeakPolarHBondContact O-CB 3.48Å; M120-W124 PolarHBondContact O-N 3.11Å; W124-V128 WeakPolarHBondContact O-CB 3.49Å; W124-V128 WeakPolarHBondContact O-CG2 3.4Å; W124-V128 PolarHBondContact O-N 2.96Å
125Y87.9Confident85.4Confident126 Ų126113.6 Ų113.649%0.49455%0.545SS..Iπ-helixtrans-71.9-49.8-174.6-174.4-99.9000113.1M120 L121 V128 L129M120-Y125 PolarHBondContact O-N 3.22Å; M120-Y125 VanDerWaalsContact O-N 3.12Å; L121-Y125 HydrophobicContact CG-CD1 4.35Å; L121-Y125 WeakPolarHBondContact O-CB 3.44Å; L121-Y125 PolarHBondContact O-N 3.07Å; Y125-V128 PolarHBondContact O-N 2.89Å; Y125-L129 HydrophobicContact CE1-CD2 3.87Å; Y125-L129 WeakPolarHBondContact O-CB 3.28Å; Y125-L129 PolarHBondContact O-N 3.34Å
126V88.7Confident86.6Confident64 Ų64114.6 Ų114.639%0.38854%0.544SS..Hα-helixtrans-58.4-50.3-179.5171.30000112.8L121 V128 L129 M130L121-V126 HydrophobicContact CD2-CG2 3.72Å; L121-V126 VanDerWaalsContact O-CG2 3.27Å; L121-V126 WeakPolarHBondContact O-CG2 3.47Å; L121-V126 PolarHBondContact O-N 2.93Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.26Å; V126-L129 PolarHBondContact O-N 2.75Å; V126-M130 WeakPolarHBondContact O-CB 3.46Å; V126-M130 PolarHBondContact O-N 3.21Å
127P89.6Confident87.3Confident69 Ų69112.2 Ų112.245%0.44854%0.537SS..Hα-helixtrans-67.7-33.4-179.222.6-32.2000112.9E122 N123 H131E122-P127 WeakPolarHBondContact O-CD 3.42Å; N123-P127 WeakPolarHBondContact O-CG 3.4Å; P127-H131 PolarHBondContact O-N 3.41Å
128V89.9Confident88.1Confident69 Ų69112.1 Ų112.142%0.41853%0.526SS..Hα-helixtrans-65.8-43.7174.51700000110.5W124 Y125 V126 H131 M134W124-V128 WeakPolarHBondContact O-CB 3.49Å; W124-V128 WeakPolarHBondContact O-CG2 3.4Å; W124-V128 PolarHBondContact O-N 2.96Å; Y125-V128 PolarHBondContact O-N 2.89Å; V126-V128 VanDerWaalsContact C-N 3.34Å; V126-V128 PolarHBondContact O-N 3.26Å; V128-H131 PolarHBondContact O-N 2.99Å; V128-M134 HydrophobicContact CG1-CG 4.26Å; V128-M134 WeakPolarHBondContact O-CB 3.34Å; V128-M134 VanDerWaalsContact O-CG 3.31Å; V128-M134 WeakPolarHBondContact O-CG 3.32Å
129L87.9Confident88.8Confident70 Ų70111 Ų11137%0.36653%0.526SS..Hα-helixtrans-68.8-34.5179.9-170.762.6000112.8Y125 V126 H131 I138Y125-L129 HydrophobicContact CE1-CD2 3.87Å; Y125-L129 WeakPolarHBondContact O-CB 3.28Å; Y125-L129 PolarHBondContact O-N 3.34Å; V126-L129 PolarHBondContact O-N 2.75Å; L129-H131 VanDerWaalsContact C-N 3.32Å; L129-H131 PolarHBondContact O-N 3.25Å; L129-I138 HydrophobicContact CD1-CD1 3.15Å
130M87.2Confident89.6Confident156 Ų156108.4 Ų108.477%0.76852%0.52SS*.Hα-helixtrans-74.4-17.8179.4-92.2-78.2159.500114.2V126 R132V126-M130 WeakPolarHBondContact O-CB 3.46Å; V126-M130 PolarHBondContact O-N 3.21Å; M130-R132 PolarHBondContact O-N 3.47Å
131H90.4Very high90Very high114 Ų114108.5 Ų108.553%0.52853%0.528SS..SBendtrans-63.6130.6179.9-163.1-89.7000111P127 V128 L129 V133 M134 R135P127-H131 PolarHBondContact O-N 3.41Å; V128-H131 PolarHBondContact O-N 2.99Å; L129-H131 VanDerWaalsContact C-N 3.32Å; L129-H131 PolarHBondContact O-N 3.25Å; H131-V133 PolarHBondContact ND1-N 3.42Å; H131-V133 PolarHBondContact O-N 3.28Å; H131-V133 VanDerWaalsContact O-N 3.1Å; H131-M134 HydrophobicContact CB-CB 4.33Å; H131-M134 PolarHBondContact O-N 3.49Å; H131-R135 PolarHBondContact O-N 2.9Å
132R90.3Very high90.5Very high223 Ų223110 Ų11084%0.84253%0.531SS*.Hα-helixtrans-53.3-39.2-173.8-172.7-179.6-66.9-172.90.5113M130 F136M130-R132 PolarHBondContact O-N 3.47Å; R132-F136 PolarHBondContact O-N 3.05Å
133V91.7Very high91Very high92 Ų92109 Ų10956%0.55853%0.528SS*.Hα-helixtrans-66.9-44177.5-178.70000111.2H131 F136 M137H131-V133 PolarHBondContact ND1-N 3.42Å; H131-V133 PolarHBondContact O-N 3.28Å; H131-V133 VanDerWaalsContact O-N 3.1Å; V133-F136 PolarHBondContact O-N 2.94Å; V133-M137 HydrophobicContact CG1-CG 4.36Å; V133-M137 VanDerWaalsContact O-CG 3.28Å; V133-M137 WeakPolarHBondContact O-CG 3.4Å; V133-M137 PolarHBondContact O-N 3.23Å
134M90.5Very high91.5Very high78 Ų78109.5 Ų109.538%0.38453%0.531SS..Hα-helixtrans-67.2-41.1-178.5-171.756.9-176.200111.3V128 H131 F136 M137 I138V128-M134 HydrophobicContact CG1-CG 4.26Å; V128-M134 WeakPolarHBondContact O-CB 3.34Å; V128-M134 VanDerWaalsContact O-CG 3.31Å; V128-M134 WeakPolarHBondContact O-CG 3.32Å; H131-M134 HydrophobicContact CB-CB 4.33Å; H131-M134 PolarHBondContact O-N 3.49Å; M134-F136 VanDerWaalsContact C-N 3.3Å; M134-F136 PolarHBondContact O-N 3.37Å; M134-M137 PolarHBondContact O-N 3.18Å; M134-M137 HydrophobicContact SD-CB 4.47Å; M134-I138 HydrophobicContact CE-CD1 3.89Å; M134-I138 HydrophobicContact CE-CG1 3.83Å; M134-I138 HydrophobicContact CG-CD1 3.96Å; M134-I138 HydrophobicContact CG-CG1 4.43Å; M134-I138 WeakPolarHBondContact O-CG1 3.38Å; M134-I138 PolarHBondContact O-N 3.3Å; M134-I138 HydrophobicContact SD-CG1 4.43Å
135R90.3Very high92.1Very high181 Ų181108.4 Ų108.468%0.68353%0.527SS*.Hα-helixtrans-56.7-44173-174.4176.7177.3175.30.2111.9H131 V139H131-R135 PolarHBondContact O-N 2.9Å; R135-V139 VanDerWaalsContact O-CG2 3.31Å; R135-V139 WeakPolarHBondContact O-CG2 3.24Å; R135-V139 PolarHBondContact O-N 3.17Å
136F94.1Very high92.5Very high140 Ų140106.3 Ų106.361%0.61452%0.524SS*.Hα-helixtrans-63.8-45.2175.9-176.7-99.1000111.8R132 V133 M134 I138 V139 V140R132-F136 PolarHBondContact O-N 3.05Å; V133-F136 PolarHBondContact O-N 2.94Å; M134-F136 VanDerWaalsContact C-N 3.3Å; M134-F136 PolarHBondContact O-N 3.37Å; F136-I138 PolarHBondContact O-N 3.34Å; F136-V139 PolarHBondContact O-N 3.24Å; F136-V140 HydrophobicContact CD1-CG2 4.1Å; F136-V140 HydrophobicContact CE1-CG2 3.69Å; F136-V140 HydrophobicContact CE2-CG2 4.32Å; F136-V140 HydrophobicContact CZ-CG2 3.82Å; F136-V140 WeakPolarHBondContact O-CG2 3.37Å; F136-V140 PolarHBondContact O-N 3.26Å
137M92.7Very high92.8Very high114 Ų114106 Ų10656%0.56253%0.528SS*.Hα-helixtrans-60.2-41.9178.6-69.6-68.1-75.700112.6V133 M134 V140 S141V133-M137 HydrophobicContact CG1-CG 4.36Å; V133-M137 VanDerWaalsContact O-CG 3.28Å; V133-M137 WeakPolarHBondContact O-CG 3.4Å; V133-M137 PolarHBondContact O-N 3.23Å; M134-M137 PolarHBondContact O-N 3.18Å; M134-M137 HydrophobicContact SD-CB 4.47Å; M137-V140 PolarHBondContact O-N 2.96Å; M137-S141 WeakPolarHBondContact O-CB 3.34Å; M137-S141 PolarHBondContact O-N 3.49Å
138I93.7Very high93.1Very high66 Ų66106.4 Ų106.434%0.33853%0.529SS..Hα-helixtrans-64.5-44.5177.7-68.2165.8000110.9L129 M134 F136 V140 S141 F142L129-I138 HydrophobicContact CD1-CD1 3.15Å; M134-I138 HydrophobicContact CE-CD1 3.89Å; M134-I138 HydrophobicContact CE-CG1 3.83Å; M134-I138 HydrophobicContact CG-CD1 3.96Å; M134-I138 HydrophobicContact CG-CG1 4.43Å; M134-I138 WeakPolarHBondContact O-CG1 3.38Å; M134-I138 PolarHBondContact O-N 3.3Å; M134-I138 HydrophobicContact SD-CG1 4.43Å; F136-I138 PolarHBondContact O-N 3.34Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.07Å; I138-S141 PolarHBondContact O-N 3.39Å; I138-F142 WeakPolarHBondContact O-CB 3.35Å; I138-F142 PolarHBondContact O-N 3.23Å
139V93.3Very high93.4Very high77 Ų77104.9 Ų104.947%0.46752%0.522SS..Hα-helixtrans-60.8-45.5177.7171.90000110.7R135 F136 S141 F142 I143R135-V139 VanDerWaalsContact O-CG2 3.31Å; R135-V139 WeakPolarHBondContact O-CG2 3.24Å; R135-V139 PolarHBondContact O-N 3.17Å; F136-V139 PolarHBondContact O-N 3.24Å; V139-S141 PolarHBondContact O-N 2.77Å; V139-F142 PolarHBondContact O-N 3.4Å; V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 VanDerWaalsContact O-CG1 3.32Å; V139-I143 WeakPolarHBondContact O-CG1 3.35Å; V139-I143 PolarHBondContact O-N 2.95Å
140V95.8Very high93.8Very high66 Ų66107 Ų10740%0.453%0.532SS..Hα-helixtrans-61.6-43.8176.3172.50000111.3F136 M137 I138 F142 I143 L144F136-V140 HydrophobicContact CD1-CG2 4.1Å; F136-V140 HydrophobicContact CE1-CG2 3.69Å; F136-V140 HydrophobicContact CE2-CG2 4.32Å; F136-V140 HydrophobicContact CZ-CG2 3.82Å; F136-V140 WeakPolarHBondContact O-CG2 3.37Å; F136-V140 PolarHBondContact O-N 3.26Å; M137-V140 PolarHBondContact O-N 2.96Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.07Å; V140-F142 PolarHBondContact O-N 2.89Å; V140-I143 PolarHBondContact O-N 3.47Å; V140-L144 WeakPolarHBondContact O-CB 3.2Å; V140-L144 PolarHBondContact O-N 3.41Å
141S94.3Very high94.2Very high77 Ų77107.3 Ų107.354%0.53853%0.525SS..Hα-helixtrans-62.9-40177.9179.80000112.3M137 I138 V139 L144 Y145M137-S141 WeakPolarHBondContact O-CB 3.34Å; M137-S141 PolarHBondContact O-N 3.49Å; I138-S141 PolarHBondContact O-N 3.39Å; V139-S141 PolarHBondContact O-N 2.77Å; S141-L144 PolarHBondContact O-N 3.33Å; S141-Y145 WeakPolarHBondContact O-CB 3.38Å; S141-Y145 PolarHBondContact O-N 2.96Å
142F95.7Very high94.3Very high130 Ų130108.1 Ų108.157%0.5753%0.527SS*.Hα-helixtrans-67-40.1177.6-152.6-97.6000111.7I138 V139 V140 Y145 L146I138-F142 WeakPolarHBondContact O-CB 3.35Å; I138-F142 PolarHBondContact O-N 3.23Å; V139-F142 PolarHBondContact O-N 3.4Å; V140-F142 PolarHBondContact O-N 2.89Å; F142-Y145 PolarHBondContact O-N 2.95Å; F142-L146 HydrophobicContact CD1-CD1 3.95Å; F142-L146 HydrophobicContact CD1-CG 4.3Å; F142-L146 HydrophobicContact CE1-CD1 4.06Å; F142-L146 HydrophobicContact CE1-CG 4.36Å; F142-L146 WeakPolarHBondContact O-CG 3.5Å; F142-L146 PolarHBondContact O-N 2.89Å
143I96.8Very high94.4Very high107 Ų107101.8 Ų101.855%0.54952%0.516SS..Hα-helixtrans-63.4-44.9174.8-67.4166.8000110.9V139 V140 L146 A147V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 VanDerWaalsContact O-CG1 3.32Å; V139-I143 WeakPolarHBondContact O-CG1 3.35Å; V139-I143 PolarHBondContact O-N 2.95Å; V140-I143 PolarHBondContact O-N 3.47Å; I143-L146 PolarHBondContact O-N 3.13Å; I143-A147 PolarHBondContact O-N 3.33Å
144L97Very high94.4Very high112 Ų112102.3 Ų102.359%0.58652%0.52SS*.Hα-helixtrans-64.1-41.7177.5-175.5144000111.5V140 S141 L146 A147 V148V140-L144 WeakPolarHBondContact O-CB 3.2Å; V140-L144 PolarHBondContact O-N 3.41Å; S141-L144 PolarHBondContact O-N 3.33Å; L144-L146 PolarHBondContact O-N 3.25Å; L144-A147 PolarHBondContact O-N 3.04Å; L144-V148 HydrophobicContact CD2-CG2 4.15Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.28Å
145Y96.3Very high94.4Very high146 Ų146103.3 Ų103.357%0.57353%0.527SS*.Hα-helixtrans-60.2-43.6174.9174.7-98.5000112.1S141 F142 V148 S149S141-Y145 WeakPolarHBondContact O-CB 3.38Å; S141-Y145 PolarHBondContact O-N 2.96Å; F142-Y145 PolarHBondContact O-N 2.95Å; Y145-V148 PolarHBondContact O-N 3.34Å; Y145-S149 WeakPolarHBondContact O-CB 3.31Å; Y145-S149 PolarHBondContact O-N 2.87Å; Y145-S149 PolarHBondContact O-OG 2.78Å
146L96.1Very high94.2Very high82 Ų8299.9 Ų99.943%0.42952%0.521SS..Hα-helixtrans-63.5-43.3175.3-73175.1000111.8F142 I143 L144 S149 I150F142-L146 HydrophobicContact CD1-CD1 3.95Å; F142-L146 HydrophobicContact CD1-CG 4.3Å; F142-L146 HydrophobicContact CE1-CD1 4.06Å; F142-L146 HydrophobicContact CE1-CG 4.36Å; F142-L146 WeakPolarHBondContact O-CG 3.5Å; F142-L146 PolarHBondContact O-N 2.89Å; I143-L146 PolarHBondContact O-N 3.13Å; L144-L146 PolarHBondContact O-N 3.25Å; L146-S149 PolarHBondContact O-N 3.27Å; L146-I150 VanDerWaalsContact O-CG1 3.27Å; L146-I150 WeakPolarHBondContact O-CG1 3.27Å; L146-I150 PolarHBondContact O-N 3.28Å
147A96.1Very high93.6Very high57 Ų57102.2 Ų102.247%0.47153%0.526SS..Hα-helixtrans-62.3-44.3177.900000112.3I143 L144 I150 W151I143-A147 PolarHBondContact O-N 3.33Å; L144-A147 PolarHBondContact O-N 3.04Å; A147-I150 PolarHBondContact O-N 2.89Å; A147-W151 WeakPolarHBondContact O-CB 3.48Å; A147-W151 PolarHBondContact O-N 2.94Å
148V95.7Very high92.9Very high78 Ų78105.8 Ų105.847%0.47354%0.541SS..Hα-helixtrans-64.7-40.7175.6173.30000110.9L144 Y145 W151 F152L144-V148 HydrophobicContact CD2-CG2 4.15Å; L144-V148 WeakPolarHBondContact O-CG2 3.34Å; L144-V148 PolarHBondContact O-N 3.28Å; Y145-V148 PolarHBondContact O-N 3.34Å; V148-W151 PolarHBondContact O-N 3.49Å; V148-F152 VanDerWaalsContact O-CB 3.31Å; V148-F152 WeakPolarHBondContact O-CB 3.45Å; V148-F152 PolarHBondContact O-N 3.38Å
149S95.5Very high91.7Very high37 Ų37105.7 Ų105.726%0.25956%0.557SS.*Hα-helixtrans-64.1-43.6178.4-60.20000111.7Y145 L146 F152 C153Y145-S149 WeakPolarHBondContact O-CB 3.31Å; Y145-S149 PolarHBondContact O-N 2.87Å; Y145-S149 PolarHBondContact O-OG 2.78Å; L146-S149 PolarHBondContact O-N 3.27Å; S149-F152 PolarHBondContact O-N 3.47Å; S149-C153 WeakPolarHBondContact O-CB 3.39Å; S149-C153 PolarHBondContact O-N 2.92Å; S149-C153 PolarHBondContact O-SG 3.2Å
150I95.8Very high90.5Very high114 Ų114110.3 Ų110.359%0.58558%0.578SS**Hα-helixtrans-61.5-47.4174.7-67.1163.6000110.1L146 A147 F152 C153 T154L146-I150 VanDerWaalsContact O-CG1 3.27Å; L146-I150 WeakPolarHBondContact O-CG1 3.27Å; L146-I150 PolarHBondContact O-N 3.28Å; A147-I150 PolarHBondContact O-N 2.89Å; I150-F152 VanDerWaalsContact C-N 3.29Å; I150-F152 PolarHBondContact O-N 2.8Å; I150-C153 PolarHBondContact O-N 3.32Å; I150-T154 WeakPolarHBondContact O-CG2 3.33Å; I150-T154 PolarHBondContact O-N 3.47Å; I150-T154 PolarHBondContact O-OG1 2.97Å
151W95.9Very high89Confident163 Ų163113.2 Ų113.262%0.61759%0.587SS**Hα-helixtrans-59.7-40.1176.9-178.981.2000112.1A147 V148 T154 N155A147-W151 WeakPolarHBondContact O-CB 3.48Å; A147-W151 PolarHBondContact O-N 2.94Å; V148-W151 PolarHBondContact O-N 3.49Å; W151-T154 PolarHBondContact O-N 3.12Å; W151-T154 PolarHBondContact O-OG1 3.29Å; W151-N155 VanDerWaalsContact CE2-ND2 3.32Å; W151-N155 PolarHBondContact O-N 3.33Å; W151-N155 PolarHBondContact O-ND2 3.21Å
152F92.8Very high87.5Confident130 Ų130113.5 Ų113.557%0.5759%0.587SS**Hα-helixtrans-67.1-44.1177.2-169.6-99.1000111.9V148 S149 I150 T154 N155 L156V148-F152 VanDerWaalsContact O-CB 3.31Å; V148-F152 WeakPolarHBondContact O-CB 3.45Å; V148-F152 PolarHBondContact O-N 3.38Å; S149-F152 PolarHBondContact O-N 3.47Å; I150-F152 VanDerWaalsContact C-N 3.29Å; I150-F152 PolarHBondContact O-N 2.8Å; F152-T154 VanDerWaalsContact C-N 3.27Å; F152-T154 PolarHBondContact O-N 3.35Å; F152-N155 PolarHBondContact O-N 3.37Å; F152-N155 VanDerWaalsContact O-N 3.12Å; F152-L156 HydrophobicContact CE1-CD1 4.34Å; F152-L156 PolarHBondContact O-N 2.87Å
153C93.1Very high86Confident90 Ų90112.8 Ų112.861%0.60860%0.598SS**Hα-helixtrans-59.4-36.2175-70.50000112.3S149 I150 N155 L156S149-C153 WeakPolarHBondContact O-CB 3.39Å; S149-C153 PolarHBondContact O-N 2.92Å; S149-C153 PolarHBondContact O-SG 3.2Å; I150-C153 PolarHBondContact O-N 3.32Å; C153-N155 VanDerWaalsContact C-N 3.31Å; C153-N155 PolarHBondContact O-N 3.39Å; C153-L156 WeakPolarHBondContact O-CB 3.48Å; C153-L156 PolarHBondContact O-N 3.44Å
154T91.6Very high84.2Confident104 Ų104113.7 Ų113.764%0.63861%0.609SS**Hα-helixtrans-71.4-22.2177.4570000114.5I150 W151 F152I150-T154 WeakPolarHBondContact O-CG2 3.33Å; I150-T154 PolarHBondContact O-N 3.47Å; I150-T154 PolarHBondContact O-OG1 2.97Å; W151-T154 PolarHBondContact O-N 3.12Å; W151-T154 PolarHBondContact O-OG1 3.29Å; F152-T154 VanDerWaalsContact C-N 3.27Å; F152-T154 PolarHBondContact O-N 3.35Å
155N89.3Confident82.3Confident99 Ų99108.7 Ų108.753%0.52958%0.584SS.*THydrogen-bonded Turntrans-98.62.4178.2-70.3-66000112.7W151 F152 C153 R157W151-N155 VanDerWaalsContact CE2-ND2 3.32Å; W151-N155 PolarHBondContact O-N 3.33Å; W151-N155 PolarHBondContact O-ND2 3.21Å; F152-N155 PolarHBondContact O-N 3.37Å; F152-N155 VanDerWaalsContact O-N 3.12Å; C153-N155 VanDerWaalsContact C-N 3.31Å; C153-N155 PolarHBondContact O-N 3.39Å; N155-R157 PolarHBondContact O-N 3.45Å; N155-R157 VanDerWaalsContact O-N 3.13Å
156L87.5Confident80.5Confident108 Ų108110.3 Ų110.357%0.56559%0.594SS**  trans-71.3110.9-179.2-166.669.5000109F152 C153 E158F152-L156 HydrophobicContact CE1-CD1 4.34Å; F152-L156 PolarHBondContact O-N 2.87Å; C153-L156 WeakPolarHBondContact O-CB 3.48Å; C153-L156 PolarHBondContact O-N 3.44Å; L156-E158 PolarHBondContact O-N 2.73Å
157R79.5Confident78.5Confident189 Ų189115 Ų11571%0.71361%0.611SS**  trans-74.1110.1177.4-162.4166.1176.7-122-11108.7N155 G159 E161N155-R157 PolarHBondContact O-N 3.45Å; N155-R157 VanDerWaalsContact O-N 3.13Å; R157-G159 PolarHBondContact O-N 3.46Å; R157-E161 IonicContact CZ-OE1 3.15Å; R157-E161 IonicContact NH1-OE1 2.69Å; R157-E161 PolarHBondContact NH1-OE1 3.13Å; R157-E161 IonicContact NH1-OE2 3.39Å; R157-E161 PolarHBondContact NH1-OE2 3Å; R157-E161 IonicContact NH2-OE1 2.84Å; R157-E161 PolarHBondContact NH2-OE1 3.1Å
158E78.5Confident76.6Confident189 Ų189117.9 Ų117.988%0.88362%0.617SS**  trans-72.4122.7178.5-63.7171-177.800109.7L156L156-E158 PolarHBondContact O-N 2.73Å
159G68.2Low74.6Confident65 Ų65124.1 Ų124.167%0.6763%0.633SS**SBendtrans134.6126.6173.500000113.4R157 E161R157-G159 PolarHBondContact O-N 3.46Å; G159-E161 PolarHBondContact O-N 3.45Å; G159-E161 VanDerWaalsContact O-N 3.16Å
160L69.3Low73.1Confident173 Ų173127.7 Ų127.791%0.90665%0.649SS**  trans-74.799.5166.1-176.567.8000107.3P162L160-P162 WeakPolarHBondContact O-CD 3.11Å; L160-P162 VanDerWaalsContact O-N 3.16Å
161E64.5Low71.2Confident128 Ų128131.7 Ų131.760%0.59866%0.658SS**  trans-65.5112.4175.1-69.9-170.8139.500109.3R157 G159 S163R157-E161 IonicContact CZ-OE1 3.15Å; R157-E161 IonicContact NH1-OE1 2.69Å; R157-E161 PolarHBondContact NH1-OE1 3.13Å; R157-E161 IonicContact NH1-OE2 3.39Å; R157-E161 PolarHBondContact NH1-OE2 3Å; R157-E161 IonicContact NH2-OE1 2.84Å; R157-E161 PolarHBondContact NH2-OE1 3.1Å; G159-E161 PolarHBondContact O-N 3.45Å; G159-E161 VanDerWaalsContact O-N 3.16Å; E161-S163 PolarHBondContact O-N 3.16Å; E161-S163 VanDerWaalsContact O-N 3.1Å
162P62.1Low69.7Low82 Ų82125.5 Ų125.553%0.53265%0.645SS.*  trans-69.2115.5172.529.9-31.8000107L160 V164 G165L160-P162 WeakPolarHBondContact O-CD 3.11Å; L160-P162 VanDerWaalsContact O-N 3.16Å; P162-V164 HydrophobicContact CB-CG2 3.96Å; P162-V164 PolarHBondContact O-N 3.4Å; P162-G165 PolarHBondContact O-N 2.87Å
163S63.8Low68.5Low116 Ų116124.5 Ų124.581%0.81165%0.65SS**G310 helixtrans-56.4-21.317949.80000113.2E161 G165E161-S163 PolarHBondContact O-N 3.16Å; E161-S163 VanDerWaalsContact O-N 3.1Å; S163-G165 VanDerWaalsContact C-N 3.33Å
164V60.5Low67.1Low126 Ų126126.9 Ų126.976%0.76465%0.652SS**G310 helixtrans-75.6-13.4173.7-76.50000114.6P162 K166P162-V164 HydrophobicContact CB-CG2 3.96Å; P162-V164 PolarHBondContact O-N 3.4Å; V164-K166 PolarHBondContact O-N 3.39Å
165G55.4Low65.9Low6 Ų6126.2 Ų126.26%0.06265%0.648CS.*G310 helixtrans-73.7-23.2-171.800000115.5P162 S163 K167 L168 W169P162-G165 PolarHBondContact O-N 2.87Å; S163-G165 VanDerWaalsContact C-N 3.33Å; G165-K167 PolarHBondContact O-N 2.84Å; G165-L168 WeakPolarHBondContact O-CA 3.35Å; G165-L168 WeakPolarHBondContact O-CB 3.38Å; G165-L168 PolarHBondContact O-N 2.69Å; G165-W169 VanDerWaalsContact C-CD1 3.48Å; G165-W169 PolarHBondContact O-N 3.26Å
166K59.1Low65.2Low181 Ų181129 Ų12979%0.78766%0.657SS**G310 helixtrans-57.6-26.3-172.1-74.9-173.8179.3-179.80114.7V164V164-K166 PolarHBondContact O-N 3.39Å
167K54.6Low64.4Low180 Ų180128.8 Ų128.878%0.78366%0.66SS**G310 helixtrans-89.4-24.3172.5-74-173.8178-176.80113.7G165G165-K167 PolarHBondContact O-N 2.84Å
168L55.4Low64.2Low117 Ų117125.7 Ų125.761%0.61366%0.662SS**G310 helixtrans-75.3-30.3178.6-159.873000111.6G165 N170 Y171 G172G165-L168 WeakPolarHBondContact O-CA 3.35Å; G165-L168 WeakPolarHBondContact O-CB 3.38Å; G165-L168 PolarHBondContact O-N 2.69Å; L168-N170 PolarHBondContact O-N 2.85Å; L168-Y171 PolarHBondContact O-N 3.45Å; L168-G172 PolarHBondContact O-N 3.25Å
169W55.2Low63.9Low210 Ų210121.1 Ų121.180%0.79565%0.647SS**G310 helixtrans-62.5-22.3175.9-74.9105.5000114.4G165 Y171G165-W169 VanDerWaalsContact C-CD1 3.48Å; G165-W169 PolarHBondContact O-N 3.26Å; W169-Y171 VanDerWaalsContact C-N 3.3Å; W169-Y171 PolarHBondContact O-N 3Å
170N62.8Low64Low111 Ų111125.6 Ų125.659%0.59466%0.655SS**G310 helixtrans-77.7-11.9179.5-76-1.3000114.1L168L168-N170 PolarHBondContact O-N 2.85Å
171Y56.7Low64.1Low198 Ų198124.3 Ų124.378%0.77665%0.649SS**THydrogen-bonded Turntrans-121.9-2.5-179.5-70.7-80000112.5L168 W169L168-Y171 PolarHBondContact O-N 3.45Å; W169-Y171 VanDerWaalsContact C-N 3.3Å; W169-Y171 PolarHBondContact O-N 3Å
172G63.4Low64.2Low33 Ų33122.6 Ų122.634%0.3465%0.649SS.*  trans61.7174.6-173.200000113.4L168L168-G172 PolarHBondContact O-N 3.25Å
173T67.2Low64.3Low110 Ų110120.8 Ų120.868%0.67564%0.637SS**  trans-91136.1162.7-95.40000107.9V175T173-V175 PolarHBondContact O-N 2.63Å; T173-V175 VanDerWaalsContact O-N 3.16Å
174E65.8Low64.3Low139 Ų139119.1 Ų119.165%0.6562%0.619SS**  trans-62.5115.2171.7-67-178.4-178.200109.7
175V65.6Low64.6Low91 Ų91115.2 Ų115.255%0.55260%0.596SS**  trans-93.4113.7174.3-1790000108.5T173 V177T173-V175 PolarHBondContact O-N 2.63Å; T173-V175 VanDerWaalsContact O-N 3.16Å; V175-V177 HydrophobicContact CG1-CG2 4.45Å
176Q74.5Confident64.9Low158 Ų158115.8 Ų115.874%0.73860%0.599SS**  trans-88.4111.3173.8-65.8-174.50.700109.9V178Q176-V178 PolarHBondContact O-N 2.95Å
177V71.1Confident65.1Low103 Ų103113.1 Ų113.162%0.62459%0.589SS**  trans-86.6104.3172.7-177.80000108.4V175V175-V177 HydrophobicContact CG1-CG2 4.45Å
178V75.4Confident65.6Low124 Ų124110.6 Ų110.675%0.75258%0.58SS**  trans-92.9113176.2-176.90000108.8Q176 N180Q176-V178 PolarHBondContact O-N 2.95Å; V178-N180 PolarHBondContact O-N 3.16Å
179V71.9Confident66.1Low92 Ų92107.7 Ų107.756%0.55857%0.573SS**  trans-83.4112.4173.6-178.90000108.6N181V179-N181 PolarHBondContact O-N 3.05Å
180N69.2Low66.6Low160 Ų16098 Ų9886%0.85654%0.538SS*.SBendtrans-74.4123.1172.6-166.412.8000109.3V178V178-N180 PolarHBondContact O-N 3.16Å
181N71.4Confident66.8Low146 Ų14693.7 Ų93.778%0.78151%0.513SS*.SBendtrans69.171.9-172.9-149.123.5000114.3V179V179-N181 PolarHBondContact O-N 3.05Å
182P67.2Low67.3Low91 Ų9189.4 Ų89.459%0.59150%0.503SS*.  trans-66.5139.4-177.128.3-34.3000111.2
183P64.3Low67.5Low44 Ų4493.5 Ų93.529%0.28651%0.512SS..  trans-62144.7168.727.9-32.9000109.4V185P183-V185 WeakPolarHBondContact O-CG2 3.44Å; P183-V185 PolarHBondContact O-N 3.13Å
184D64.8Low67.5Low81 Ų8189.4 Ų89.443%0.43349%0.489SS..  trans-62.5103.4177-169.4-10.3000109S186 E187 K237D184-S186 PolarHBondContact O-N 3.14Å; D184-S186 VanDerWaalsContact O-N 3.14Å; D184-S186 WeakPolarHBondContact OD1-CB 3.46Å; D184-S186 PolarHBondContact OD1-N 2.95Å; D184-S186 PolarHBondContact OD1-OG 3.04Å; D184-S186 PolarHBondContact OD2-OG 3.26Å; D184-E187 PolarHBondContact O-N 3.24Å; D184-K237 IonicContact OD2-NZ 3.95Å
185V66Low67.5Low44 Ų4485.8 Ų85.827%0.26748%0.477SS..THydrogen-bonded Turntrans-69.3-7.6-179-163.20000110.8P183 E187 R191 W224 F240P183-V185 WeakPolarHBondContact O-CG2 3.44Å; P183-V185 PolarHBondContact O-N 3.13Å; V185-E187 VanDerWaalsContact C-N 3.31Å; V185-R191 HydrophobicContact CG1-CG 4.05Å; V185-R191 VanDerWaalsContact O-CG 3.3Å; V185-R191 WeakPolarHBondContact O-CG 3.47Å; V185-R191 PolarHBondContact O-NE 3.25Å; V185-W224 HydrophobicContact CG1-CH2 4.15Å; V185-F240 HydrophobicContact CB-CZ 4.21Å; V185-F240 HydrophobicContact CG1-CE2 4.45Å; V185-F240 HydrophobicContact CG1-CZ 4.01Å
186S60.9Low67.7Low19 Ų1986.6 Ų86.613%0.13348%0.476CS..THydrogen-bonded Turntrans-75.4-19.8170.476.80000113.2D184 K237D184-S186 PolarHBondContact O-N 3.14Å; D184-S186 VanDerWaalsContact O-N 3.14Å; D184-S186 WeakPolarHBondContact OD1-CB 3.46Å; D184-S186 PolarHBondContact OD1-N 2.95Å; D184-S186 PolarHBondContact OD1-OG 3.04Å; D184-S186 PolarHBondContact OD2-OG 3.26Å; S186-K237 WeakPolarHBondContact OG-CE 3.48Å; S186-K237 PolarHBondContact OG-NZ 3Å
187E65Low67.3Low125 Ų12586.3 Ų86.358%0.58447%0.468SS*.SBendtrans-98.3141.6180-164170.6-162.800111.4D184 V185 A189 G190 R191D184-E187 PolarHBondContact O-N 3.24Å; V185-E187 VanDerWaalsContact C-N 3.31Å; E187-A189 VanDerWaalsContact C-N 3.26Å; E187-A189 PolarHBondContact O-N 3.37Å; E187-G190 WeakPolarHBondContact O-CA 3.2Å; E187-G190 PolarHBondContact O-N 3.23Å; E187-R191 PolarHBondContact O-N 3.49Å; E187-R191 VanDerWaalsContact O-N 3.13Å
188E63.6Low67Low127 Ų12784 Ų8459%0.59346%0.456SS*.Hα-helixtrans-56.7-40.1-177.9-173.5-179.3175.500112.2G190 R191 L192E188-G190 VanDerWaalsContact C-N 3.28Å; E188-G190 PolarHBondContact O-N 2.95Å; E188-R191 PolarHBondContact O-N 3.17Å; E188-L192 HydrophobicContact CG-CD1 4.44Å; E188-L192 PolarHBondContact O-N 2.81Å
189A66Low66.6Low56 Ų5680.5 Ų80.546%0.46344%0.44SS..Hα-helixtrans-63.9-31.9176.200000112.8E187 K193E187-A189 VanDerWaalsContact C-N 3.26Å; E187-A189 PolarHBondContact O-N 3.37Å; A189-K193 WeakPolarHBondContact O-CG 3.48Å; A189-K193 PolarHBondContact O-N 2.9Å
190G66.7Low66.4Low5 Ų580.7 Ų80.75%0.05244%0.438CS..Hα-helixtrans-72.8-37175.900000112.6E187 E188 K193 A194E187-G190 WeakPolarHBondContact O-CA 3.2Å; E187-G190 PolarHBondContact O-N 3.23Å; E188-G190 VanDerWaalsContact C-N 3.28Å; E188-G190 PolarHBondContact O-N 2.95Å; G190-K193 PolarHBondContact O-N 3.45Å; G190-A194 WeakPolarHBondContact O-CB 3.39Å; G190-A194 PolarHBondContact O-N 3.29Å
191R65.5Low66.2Low21 Ų2176.4 Ų76.48%0.07941%0.414CS..Hα-helixtrans-69.5-43.4176.9-65.2-179.3-173.7166.45.1112.5V185 E187 E188 K193 A194 T195V185-R191 HydrophobicContact CG1-CG 4.05Å; V185-R191 VanDerWaalsContact O-CG 3.3Å; V185-R191 WeakPolarHBondContact O-CG 3.47Å; V185-R191 PolarHBondContact O-NE 3.25Å; E187-R191 PolarHBondContact O-N 3.49Å; E187-R191 VanDerWaalsContact O-N 3.13Å; E188-R191 PolarHBondContact O-N 3.17Å; R191-K193 VanDerWaalsContact C-N 3.3Å; R191-K193 PolarHBondContact O-N 2.97Å; R191-A194 PolarHBondContact O-N 3.33Å; R191-T195 WeakPolarHBondContact O-CG2 3.36Å; R191-T195 PolarHBondContact O-N 2.89Å; R191-T195 PolarHBondContact O-OG1 3.46Å
192L67.5Low65.6Low108 Ų10873.6 Ų73.657%0.56539%0.393SS*.Hα-helixtrans-63.2-37.3175-75.3170.2000112E188 T195 M196E188-L192 HydrophobicContact CG-CD1 4.44Å; E188-L192 PolarHBondContact O-N 2.81Å; L192-T195 WeakPolarHBondContact CA-OG1 3.47Å; L192-T195 PolarHBondContact O-OG1 3Å; L192-M196 VanDerWaalsContact O-CB 3.27Å; L192-M196 WeakPolarHBondContact O-CB 3.24Å; L192-M196 PolarHBondContact O-N 3.47Å
193K68Low65.5Low119 Ų11976.1 Ų76.152%0.51740%0.397SS..Hα-helixtrans-64.5-45.8171.6-78.7179.4-178.6177.80111.2A189 G190 R191 T195 M196 W197A189-K193 WeakPolarHBondContact O-CG 3.48Å; A189-K193 PolarHBondContact O-N 2.9Å; G190-K193 PolarHBondContact O-N 3.45Å; R191-K193 VanDerWaalsContact C-N 3.3Å; R191-K193 PolarHBondContact O-N 2.97Å; K193-T195 PolarHBondContact O-N 3.34Å; K193-M196 WeakPolarHBondContact O-CB 3.48Å; K193-M196 PolarHBondContact O-N 3.36Å; K193-W197 PolarHBondContact O-N 3.46Å
194A66.6Low65.4Low25 Ų2577.7 Ų77.721%0.20741%0.413CS..Hα-helixtrans-61-43.7179.200000112.5G190 R191 M196 W197 C198G190-A194 WeakPolarHBondContact O-CB 3.39Å; G190-A194 PolarHBondContact O-N 3.29Å; R191-A194 PolarHBondContact O-N 3.33Å; A194-M196 VanDerWaalsContact C-N 3.35Å; A194-W197 PolarHBondContact O-N 3.44Å; A194-C198 PolarHBondContact O-N 3.18Å; A194-C198 PolarHBondContact O-SG 3.15Å; A194-C198 VanDerWaalsContact O-SG 3.33Å
195T66Low65.1Low62 Ų6275.7 Ų75.738%0.3840%0.402SS..Hα-helixtrans-66.5-36.6175.755.70000112R191 L192 K193 C198 A199R191-T195 WeakPolarHBondContact O-CG2 3.36Å; R191-T195 PolarHBondContact O-N 2.89Å; R191-T195 PolarHBondContact O-OG1 3.46Å; L192-T195 WeakPolarHBondContact CA-OG1 3.47Å; L192-T195 PolarHBondContact O-OG1 3Å; K193-T195 PolarHBondContact O-N 3.34Å; T195-C198 PolarHBondContact O-N 2.97Å; T195-A199 PolarHBondContact O-N 3.38Å
196M70.4Confident64.4Low109 Ų10978 Ų7854%0.53742%0.416SS..Hα-helixtrans-64.7-42.7172.3-171.9-176.678.200111.9L192 K193 A194 C198 A199 L200L192-M196 VanDerWaalsContact O-CB 3.27Å; L192-M196 WeakPolarHBondContact O-CB 3.24Å; L192-M196 PolarHBondContact O-N 3.47Å; K193-M196 WeakPolarHBondContact O-CB 3.48Å; K193-M196 PolarHBondContact O-N 3.36Å; A194-M196 VanDerWaalsContact C-N 3.35Å; M196-C198 VanDerWaalsContact C-N 3.33Å; M196-C198 PolarHBondContact O-N 3.21Å; M196-A199 PolarHBondContact O-N 2.85Å; M196-L200 WeakPolarHBondContact O-CB 3.27Å; M196-L200 PolarHBondContact O-N 3.18Å
197W66.8Low63.8Low151 Ų15183.8 Ų83.857%0.57244%0.441SS*.Hα-helixtrans-59.3-44173.8-76.5114.8000111.2K193 A194 A199 L200 L201K193-W197 PolarHBondContact O-N 3.46Å; A194-W197 PolarHBondContact O-N 3.44Å; W197-A199 VanDerWaalsContact C-N 3.33Å; W197-A199 PolarHBondContact O-N 3.23Å; W197-L200 PolarHBondContact O-N 3Å; W197-L201 WeakPolarHBondContact O-CB 3.32Å; W197-L201 PolarHBondContact O-N 3.25Å
198C63.8Low62.9Low54 Ų5489.5 Ų89.537%0.36546%0.458SS..Hα-helixtrans-62.6-37.5174.9-68.50000112.8A194 T195 M196 R202A194-C198 PolarHBondContact O-N 3.18Å; A194-C198 PolarHBondContact O-SG 3.15Å; A194-C198 VanDerWaalsContact O-SG 3.33Å; T195-C198 PolarHBondContact O-N 2.97Å; M196-C198 VanDerWaalsContact C-N 3.33Å; M196-C198 PolarHBondContact O-N 3.21Å; C198-R202 PolarHBondContact O-N 3.31Å; C198-R202 VanDerWaalsContact O-N 3.15Å
199A66.6Low62.1Low51 Ų5188.9 Ų88.942%0.42146%0.463SS..Hα-helixtrans-69.1-41.5175.700000112.1T195 M196 W197 R202 E203T195-A199 PolarHBondContact O-N 3.38Å; M196-A199 PolarHBondContact O-N 2.85Å; W197-A199 VanDerWaalsContact C-N 3.33Å; W197-A199 PolarHBondContact O-N 3.23Å; A199-R202 VanDerWaalsContact O-CB 3.32Å; A199-R202 WeakPolarHBondContact O-CB 3.38Å; A199-R202 PolarHBondContact O-N 2.75Å; A199-E203 PolarHBondContact O-N 3.45Å
200L68Low61.1Low97 Ų9791.9 Ų91.951%0.50846%0.462SS..Hα-helixtrans-69.5-37.9179.4-157.3147.5000111.4M196 W197 R202 E203 A204M196-L200 WeakPolarHBondContact O-CB 3.27Å; M196-L200 PolarHBondContact O-N 3.18Å; W197-L200 PolarHBondContact O-N 3Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-R202 PolarHBondContact O-N 2.7Å; L200-E203 PolarHBondContact O-N 3.43Å; L200-A204 PolarHBondContact O-N 3.49Å
201L64.7Low60.1Low70 Ų7099.7 Ų99.737%0.36650%0.499SS..Hα-helixtrans-61.9-38.7172.3-139.498.9000111.4W197 E203 A204 L205W197-L201 WeakPolarHBondContact O-CB 3.32Å; W197-L201 PolarHBondContact O-N 3.25Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-E203 PolarHBondContact O-N 2.93Å; L201-A204 PolarHBondContact O-N 3.47Å; L201-L205 HydrophobicContact CD2-CD1 4.24Å; L201-L205 WeakPolarHBondContact O-CD1 3.44Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.32Å; L201-L205 PolarHBondContact O-N 3.45Å
202R60.1Low59.1Low86 Ų86104.1 Ų104.133%0.32552%0.521SS..Hα-helixtrans-61.6-38.8176.3-178.3-172.4-62.5-144.20.4112.1C198 A199 L200 C217 S221C198-R202 PolarHBondContact O-N 3.31Å; C198-R202 VanDerWaalsContact O-N 3.15Å; A199-R202 VanDerWaalsContact O-CB 3.32Å; A199-R202 WeakPolarHBondContact O-CB 3.38Å; A199-R202 PolarHBondContact O-N 2.75Å; L200-R202 VanDerWaalsContact C-N 3.29Å; L200-R202 PolarHBondContact O-N 2.7Å; R202-C217 PolarHBondContact NH2-O 3.02Å; R202-S221 PolarHBondContact NH2-OG 3.37Å
203E64.9Low58.2Low145 Ų145101.7 Ų101.768%0.67851%0.508SS*.Hα-helixtrans-75-36.6178.1-72.8-176.117500112.5A199 L200 L201 L205 T206A199-E203 PolarHBondContact O-N 3.45Å; L200-E203 PolarHBondContact O-N 3.43Å; L201-E203 VanDerWaalsContact C-N 3.32Å; L201-E203 PolarHBondContact O-N 2.93Å; E203-L205 PolarHBondContact O-N 2.83Å; E203-T206 WeakPolarHBondContact O-CB 3.32Å; E203-T206 VanDerWaalsContact O-CG2 3.32Å; E203-T206 WeakPolarHBondContact O-CG2 3.48Å; E203-T206 PolarHBondContact O-N 3.01Å; E203-T206 PolarHBondContact O-OG1 2.94Å
204A61.1Low57.2Low77 Ų77101.9 Ų101.964%0.63651%0.505SS*.Hα-helixtrans-66.3-23.8176.700000113.4L200 L201 T206L200-A204 PolarHBondContact O-N 3.49Å; L201-A204 PolarHBondContact O-N 3.47Å; A204-T206 PolarHBondContact O-N 3.14Å
205L58.5Low56.2Low38 Ų38104.6 Ų104.620%0.19952%0.522CS..THydrogen-bonded Turntrans-87.932.1179.5-69.2165.9000113.1L201 E203 E207 W210 L213L201-L205 HydrophobicContact CD2-CD1 4.24Å; L201-L205 WeakPolarHBondContact O-CD1 3.44Å; L201-L205 VanDerWaalsContact O-CG 3.24Å; L201-L205 WeakPolarHBondContact O-CG 3.32Å; L201-L205 PolarHBondContact O-N 3.45Å; E203-L205 PolarHBondContact O-N 2.83Å; L205-E207 VanDerWaalsContact C-N 3.31Å; L205-E207 PolarHBondContact O-N 3.05Å; L205-W210 HydrophobicContact CD2-CB 4.4Å; L205-W210 HydrophobicContact CD2-CG 4.34Å; L205-L213 HydrophobicContact CD1-CB 4.42Å; L205-L213 HydrophobicContact CD1-CD2 4.29Å
206T51.8Low55.4Low92 Ų92103.1 Ų103.156%0.56452%0.52SS*.  trans-79.6-3.3-175.827.90000115.2E203 A204E203-T206 WeakPolarHBondContact O-CB 3.32Å; E203-T206 VanDerWaalsContact O-CG2 3.32Å; E203-T206 WeakPolarHBondContact O-CG2 3.48Å; E203-T206 PolarHBondContact O-N 3.01Å; E203-T206 PolarHBondContact O-OG1 2.94Å; A204-T206 PolarHBondContact O-N 3.14Å
207E47.7Very low54.3Low141 Ų14199.1 Ų99.166%0.65950%0.502SS*.SBendtrans-85.6141.4174.6-77.3-65.515900112.5L205 V209L205-E207 VanDerWaalsContact C-N 3.31Å; L205-E207 PolarHBondContact O-N 3.05Å; E207-V209 PolarHBondContact O-N 3.35Å
208W46.2Very low53.3Low246 Ų24694.5 Ų94.593%0.93249%0.493SS*.THydrogen-bonded Turntrans-58.65.3-166.9-68.981.2000117
209V46.8Very low52.7Low114 Ų11493.8 Ų93.869%0.69149%0.485SS*.THydrogen-bonded Turntrans-96.2-9.8-172179.60000112.9E207E207-V209 PolarHBondContact O-N 3.35Å
210W46.1Very low51.7Low119 Ų11993.3 Ų93.345%0.45148%0.479SS..  trans-128.546-168.5-65107.6000115.3L205 E212 L213 R214L205-W210 HydrophobicContact CD2-CB 4.4Å; L205-W210 HydrophobicContact CD2-CG 4.34Å; W210-E212 VanDerWaalsContact C-N 3.25Å; W210-E212 PolarHBondContact O-N 3.47Å; W210-L213 HydrophobicContact CB-CB 4.19Å; W210-L213 HydrophobicContact CD2-CD1 3.85Å; W210-L213 HydrophobicContact CE3-CD1 3.11Å; W210-L213 HydrophobicContact CE3-CG 4.38Å; W210-L213 HydrophobicContact CH2-CD1 4.31Å; W210-L213 HydrophobicContact CZ3-CD1 3.38Å; W210-L213 PolarHBondContact O-N 2.8Å; W210-R214 PolarHBondContact O-N 3.26Å
211M45.2Very low50.7Low169 Ų16991 Ų9183%0.83347%0.471SS*.Hα-helixtrans-60.9-31.4179.7-144.9167.7108.600113.1C215M211-C215 PolarHBondContact O-N 3.19Å
212E45.2Very low49.9Very low114 Ų11489.1 Ų89.153%0.53347%0.465SS..Hα-helixtrans-72.6-38.1177-67.8-171.1161.100113.3W210 R214 C215 G216W210-E212 VanDerWaalsContact C-N 3.25Å; W210-E212 PolarHBondContact O-N 3.47Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.26Å; E212-C215 WeakPolarHBondContact O-CB 3.05Å; E212-C215 PolarHBondContact O-N 3.24Å; E212-G216 PolarHBondContact O-N 3.03Å
213L47.2Very low49.3Very low56 Ų5686.7 Ų86.729%0.29346%0.457SS..Hα-helixtrans-69.9-27.5176.6-104.2136.4000112.2L205 W210 G216 C217L205-L213 HydrophobicContact CD1-CB 4.42Å; L205-L213 HydrophobicContact CD1-CD2 4.29Å; W210-L213 HydrophobicContact CB-CB 4.19Å; W210-L213 HydrophobicContact CD2-CD1 3.85Å; W210-L213 HydrophobicContact CE3-CD1 3.11Å; W210-L213 HydrophobicContact CE3-CG 4.38Å; W210-L213 HydrophobicContact CH2-CD1 4.31Å; W210-L213 HydrophobicContact CZ3-CD1 3.38Å; W210-L213 PolarHBondContact O-N 2.8Å; L213-G216 PolarHBondContact O-N 3.43Å; L213-C217 WeakPolarHBondContact O-CB 3.29Å; L213-C217 PolarHBondContact O-N 2.95Å; L213-C217 PolarHBondContact O-SG 2.95Å; L213-C217 VanDerWaalsContact O-SG 3.35Å
214R47.1Very low48.4Very low123 Ų12384 Ų8446%0.46444%0.441SS..Hα-helixtrans-68.3-38.2171.2-172174-87-135.3-3.9111.6W210 E212 S218W210-R214 PolarHBondContact O-N 3.26Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.26Å; R214-S218 VanDerWaalsContact O-CB 3.29Å; R214-S218 WeakPolarHBondContact O-CB 3.46Å; R214-S218 PolarHBondContact O-N 3.35Å
215C46.3Very low47.7Very low82 Ų8285.8 Ų85.855%0.55444%0.443SS*.Hα-helixtrans-65.4-45.1171.8-117.80000111.2M211 E212 C217 S218 N219M211-C215 PolarHBondContact O-N 3.19Å; E212-C215 WeakPolarHBondContact O-CB 3.05Å; E212-C215 PolarHBondContact O-N 3.24Å; C215-C217 PolarHBondContact O-N 3.24Å; C215-S218 PolarHBondContact O-N 2.9Å; C215-N219 PolarHBondContact O-N 3.44Å
216G48.5Very low47Very low32 Ų3290.4 Ų90.433%0.3346%0.464SS..Hα-helixtrans-62.5-38.4176.500000113.9E212 L213 S220E212-G216 PolarHBondContact O-N 3.03Å; L213-G216 PolarHBondContact O-N 3.43Å; G216-S220 WeakPolarHBondContact O-CB 3.16Å; G216-S220 PolarHBondContact O-N 3.28Å
217C48.1Very low46.7Very low25 Ų2589.4 Ų89.417%0.16946%0.455CS..Hα-helixtrans-76.3-29.7175.3-70.80000113.1R202 L213 C215 S221R202-C217 PolarHBondContact NH2-O 3.02Å; L213-C217 WeakPolarHBondContact O-CB 3.29Å; L213-C217 PolarHBondContact O-N 2.95Å; L213-C217 PolarHBondContact O-SG 2.95Å; L213-C217 VanDerWaalsContact O-SG 3.35Å; C215-C217 PolarHBondContact O-N 3.24Å; C217-S221 PolarHBondContact O-N 3.37Å; C217-S221 VanDerWaalsContact O-N 3.12Å; C217-S221 PolarHBondContact O-OG 3.12Å
218S46.1Very low46.3Very low54 Ų5491.6 Ų91.638%0.37846%0.462SS..Hα-helixtrans-67.6-46.2172.1-167.60000110.7R214 C215 S221 A222R214-S218 VanDerWaalsContact O-CB 3.29Å; R214-S218 WeakPolarHBondContact O-CB 3.46Å; R214-S218 PolarHBondContact O-N 3.35Å; C215-S218 PolarHBondContact O-N 2.9Å; S218-S221 PolarHBondContact O-N 3.47Å; S218-S221 PolarHBondContact O-OG 3.21Å; S218-A222 PolarHBondContact O-N 3.23Å
219N49.9Very low46.2Very low38 Ų3882 Ų8220%0.20343%0.429CS..Hα-helixtrans-75.7-25.2176.4-78.612.8000113C215 S221 A222 F223 T259 S261C215-N219 PolarHBondContact O-N 3.44Å; N219-S221 VanDerWaalsContact C-N 3.35Å; N219-A222 CarbonylContact O-C 3.41Å; N219-A222 WeakPolarHBondContact O-CB 3.3Å; N219-A222 PolarHBondContact O-N 3.21Å; N219-F223 VanDerWaalsContact O-CB 3.24Å; N219-F223 WeakPolarHBondContact O-CB 3.39Å; N219-F223 PolarHBondContact O-N 3.39Å; N219-T259 WeakPolarHBondContact CB-O 3.32Å; N219-T259 PolarHBondContact ND2-O 3.27Å; N219-S261 PolarHBondContact ND2-OXT 3.26Å
220S46.7Very low45.8Very low42 Ų4281.8 Ų81.829%0.29443%0.43SS..Hα-helixtrans-68.2-36.2170.3-174.50000111.4G216 A222 F223 W224G216-S220 WeakPolarHBondContact O-CB 3.16Å; G216-S220 PolarHBondContact O-N 3.28Å; S220-A222 VanDerWaalsContact C-N 3.32Å; S220-F223 WeakPolarHBondContact O-CB 3.42Å; S220-F223 PolarHBondContact O-N 3.1Å; S220-W224 PolarHBondContact O-N 3.48Å
221S45.9Very low45.9Very low49 Ų4981.7 Ų81.734%0.34344%0.438SS..Hα-helixtrans-68.2-32.4169.961.30000112.7R202 C217 S218 N219 V225R202-S221 PolarHBondContact NH2-OG 3.37Å; C217-S221 PolarHBondContact O-N 3.37Å; C217-S221 VanDerWaalsContact O-N 3.12Å; C217-S221 PolarHBondContact O-OG 3.12Å; S218-S221 PolarHBondContact O-N 3.47Å; S218-S221 PolarHBondContact O-OG 3.21Å; N219-S221 VanDerWaalsContact C-N 3.35Å; S221-V225 WeakPolarHBondContact O-CG2 3.44Å
222A48.1Very low46.1Very low29 Ų2977.1 Ų77.124%0.2442%0.417CS..Hα-helixtrans-70.9-3317100000111.7S218 N219 S220 W224 V225 E226S218-A222 PolarHBondContact O-N 3.23Å; N219-A222 CarbonylContact O-C 3.41Å; N219-A222 WeakPolarHBondContact O-CB 3.3Å; N219-A222 PolarHBondContact O-N 3.21Å; S220-A222 VanDerWaalsContact C-N 3.32Å; A222-W224 VanDerWaalsContact C-N 3.32Å; A222-W224 PolarHBondContact O-N 3.08Å; A222-V225 CarbonylContact O-C 3.38Å; A222-V225 VanDerWaalsContact O-CA 3.32Å; A222-V225 WeakPolarHBondContact O-CA 3.48Å; A222-V225 WeakPolarHBondContact O-CB 3.41Å; A222-V225 PolarHBondContact O-N 3.02Å; A222-E226 WeakPolarHBondContact O-CB 3.48Å; A222-E226 PolarHBondContact O-N 3.14Å
223F47.4Very low46.5Very low36 Ų3675.4 Ų75.416%0.15842%0.422CS..Hα-helixtrans-63.1-36.3179.2175.2-95.6000112N219 S220 V225 L227 F247 T259N219-F223 VanDerWaalsContact O-CB 3.24Å; N219-F223 WeakPolarHBondContact O-CB 3.39Å; N219-F223 PolarHBondContact O-N 3.39Å; S220-F223 WeakPolarHBondContact O-CB 3.42Å; S220-F223 PolarHBondContact O-N 3.1Å; F223-V225 VanDerWaalsContact C-N 3.28Å; F223-V225 PolarHBondContact O-N 2.89Å; F223-L227 HydrophobicContact CE1-CD1 4.37Å; F223-L227 HydrophobicContact CE2-CD1 4.2Å; F223-L227 HydrophobicContact CZ-CD1 3.92Å; F223-L227 PolarHBondContact O-N 3.3Å; F223-F247 HydrophobicContact CE1-CE2 4.3Å; F223-F247 HydrophobicContact CE1-CZ 4.31Å; F223-F247 HydrophobicContact CE2-CD2 4.34Å; F223-F247 AromaticContact CE2-CE2 3.67Å; F223-F247 HydrophobicContact CE2-CE2 3.67Å; F223-F247 HydrophobicContact CE2-CZ 4.3Å; F223-F247 AromaticContact CZ-CD2 3.77Å; F223-F247 HydrophobicContact CZ-CD2 3.77Å; F223-F247 HydrophobicContact CZ-CE1 4.46Å; F223-F247 AromaticContact CZ-CE2 3.21Å; F223-F247 HydrophobicContact CZ-CE2 3.21Å; F223-F247 AromaticContact CZ-CZ 3.6Å; F223-F247 HydrophobicContact CZ-CZ 3.6Å; F223-T259 HydrophobicContact CB-CG2 4.11Å; F223-T259 HydrophobicContact CD2-CG2 3.66Å; F223-T259 HydrophobicContact CE2-CG2 4.34Å; F223-T259 HydrophobicContact CG-CG2 3.93Å
224W47.7Very low46.8Very low87 Ų8778.3 Ų78.333%0.3344%0.442SS..Hα-helixtrans-69-25.3169.9-71.2102.4000113.2V185 S220 A222V185-W224 HydrophobicContact CG1-CH2 4.15Å; S220-W224 PolarHBondContact O-N 3.48Å; A222-W224 VanDerWaalsContact C-N 3.32Å; A222-W224 PolarHBondContact O-N 3.08Å
225V45.3Very low47.3Very low115 Ų11574.4 Ų74.470%0.69743%0.429SS*.Hα-helixtrans-92.2-32.3-178.2175.40000112.2S221 A222 F223S221-V225 WeakPolarHBondContact O-CG2 3.44Å; A222-V225 CarbonylContact O-C 3.38Å; A222-V225 VanDerWaalsContact O-CA 3.32Å; A222-V225 WeakPolarHBondContact O-CA 3.48Å; A222-V225 WeakPolarHBondContact O-CB 3.41Å; A222-V225 PolarHBondContact O-N 3.02Å; F223-V225 VanDerWaalsContact C-N 3.28Å; F223-V225 PolarHBondContact O-N 2.89Å
226E43.2Very low48.2Very low135 Ų13573.3 Ų73.363%0.63142%0.423SS*.Hα-helixtrans-85.8-13.3-179.5-86.1-179.6148.700113.4A222 K228A222-E226 WeakPolarHBondContact O-CB 3.48Å; A222-E226 PolarHBondContact O-N 3.14Å; E226-K228 PolarHBondContact O-N 3.07Å
227L45.4Very low49Very low71 Ų7177 Ų7737%0.37243%0.43SS..THydrogen-bonded Turntrans-636.2166.9-134.396.6000113.4F223 L229F223-L227 HydrophobicContact CE1-CD1 4.37Å; F223-L227 HydrophobicContact CE2-CD1 4.2Å; F223-L227 HydrophobicContact CZ-CD1 3.92Å; F223-L227 PolarHBondContact O-N 3.3Å; L227-L229 HydrophobicContact CB-CD1 4.11Å; L227-L229 HydrophobicContact CB-CG 4.3Å; L227-L229 HydrophobicContact CD2-CD1 3.77Å; L227-L229 HydrophobicContact CD2-CG 4.18Å; L227-L229 PolarHBondContact O-N 3.28Å
228K39.3Very low49.9Very low187 Ų18783.5 Ų83.581%0.81346%0.455SS*.  trans52.730.2169.4-137.5178.7-167.6177.80112.2E226 P230E226-K228 PolarHBondContact O-N 3.07Å; K228-P230 WeakPolarHBondContact O-CD 3.39Å
229L43.9Very low50.9Low44 Ų4484.5 Ų84.523%0.2346%0.457CS..  trans-76.993.7177-76.8164.3000107.4L227 N231 L232 M235L227-L229 HydrophobicContact CB-CD1 4.11Å; L227-L229 HydrophobicContact CB-CG 4.3Å; L227-L229 HydrophobicContact CD2-CD1 3.77Å; L227-L229 HydrophobicContact CD2-CG 4.18Å; L227-L229 PolarHBondContact O-N 3.28Å; L229-N231 PolarHBondContact O-N 3.28Å; L229-L232 HydrophobicContact CB-CD1 4.21Å; L229-L232 HydrophobicContact CD1-CD1 3.84Å; L229-M235 HydrophobicContact CD2-CE 3.19Å; L229-M235 HydrophobicContact CD2-SD 3.48Å; L229-M235 WeakPolarHBondContact CD2-SD 3.12Å
230P39Very low51.7Low110 Ų11084 Ų8471%0.71445%0.453SS*.SBendtrans-72.7110.8179.37.114.5000104.7K228K228-P230 WeakPolarHBondContact O-CD 3.39Å
231N48.2Very low52.8Low117 Ų11787.4 Ų87.463%0.62646%0.46SS*.  trans77.378179.9-42.1-54.6000115L229 A233 V234L229-N231 PolarHBondContact O-N 3.28Å; N231-A233 PolarHBondContact O-N 3.44Å; N231-V234 HydrophobicContact CB-CB 4.2Å; N231-V234 HydrophobicContact CB-CG2 3.9Å; N231-V234 PolarHBondContact O-N 2.86Å
232L50.5Low53.9Low74 Ų7491 Ų9139%0.38747%0.471SS..THydrogen-bonded Turntrans-54.2-20.7169.7-147.280.7000113.6L229L229-L232 HydrophobicContact CB-CD1 4.21Å; L229-L232 HydrophobicContact CD1-CD1 3.84Å
233A52Low54.8Low78 Ų7891.8 Ų91.865%0.64548%0.475SS*.THydrogen-bonded Turntrans-79.1-9.9177.400000114.7N231N231-A233 PolarHBondContact O-N 3.44Å
234V54.3Low55.7Low117 Ų11793 Ų9371%0.70948%0.482SS*.SBendtrans-122.84.2-169.9-167.40000112.7N231 S236N231-V234 HydrophobicContact CB-CB 4.2Å; N231-V234 HydrophobicContact CB-CG2 3.9Å; N231-V234 PolarHBondContact O-N 2.86Å; V234-S236 PolarHBondContact O-N 3.4Å
235M58.3Low56.7Low40 Ų4097.4 Ų97.420%0.19750%0.499CS..  trans-79.9120.6-172.2-161.2-175.8-156.200112.6L229 D239 F240 S243L229-M235 HydrophobicContact CD2-CE 3.19Å; L229-M235 HydrophobicContact CD2-SD 3.48Å; L229-M235 WeakPolarHBondContact CD2-SD 3.12Å; M235-D239 VanDerWaalsContact CE-C 3.45Å; M235-D239 HydrophobicContact CE-CB 3.64Å; M235-D239 WeakPolarHBondContact CE-O 3.33Å; M235-D239 HydrophobicContact CG-CB 3.89Å; M235-F240 HydrophobicContact SD-CB 4.24Å; M235-S243 WeakPolarHBondContact CE-OG 3.39Å
236S63.4Low57.8Low60 Ų6097.4 Ų97.442%0.4249%0.491SS..  trans-64.5148.8174.3170.70000111.4V234 K238 D239 F240V234-S236 PolarHBondContact O-N 3.4Å; S236-K238 PolarHBondContact O-N 3.47Å; S236-D239 PolarHBondContact O-N 3.04Å; S236-D239 VanDerWaalsContact O-N 3.14Å; S236-F240 PolarHBondContact O-N 3.15Å
237K66.6Low58.8Low109 Ų10993.6 Ų93.647%0.47447%0.473SS..Hα-helixtrans-52.9-30.6177.7-175.8163.7-174.4155.50112.6D184 S186 Y241D184-K237 IonicContact OD2-NZ 3.95Å; S186-K237 WeakPolarHBondContact OG-CE 3.48Å; S186-K237 PolarHBondContact OG-NZ 3Å; K237-Y241 HydrophobicContact CD-CE2 4.22Å; K237-Y241 HydrophobicContact CG-CD2 4.08Å; K237-Y241 HydrophobicContact CG-CE2 3.59Å; K237-Y241 WeakPolarHBondContact O-CD2 3.43Å; K237-Y241 PolarHBondContact O-N 3.43Å
238K66.7Low59.8Low162 Ų16295.2 Ų95.270%0.70448%0.481SS*.Hα-helixtrans-70.2-48179.3-67.7-176178.6178.90112.4S236 F240 Y241 E242S236-K238 PolarHBondContact O-N 3.47Å; K238-F240 PolarHBondContact O-N 2.9Å; K238-Y241 PolarHBondContact O-N 3.19Å; K238-Y241 VanDerWaalsContact O-N 3.14Å; K238-E242 PolarHBondContact O-N 3.25Å
239D67.3Low61.3Low75 Ų7592.8 Ų92.840%0.40147%0.473SS..Hα-helixtrans-64-32.8-177.8-48.7-21.3000110.8M235 S236 S243M235-D239 VanDerWaalsContact CE-C 3.45Å; M235-D239 HydrophobicContact CE-CB 3.64Å; M235-D239 WeakPolarHBondContact CE-O 3.33Å; M235-D239 HydrophobicContact CG-CB 3.89Å; S236-D239 PolarHBondContact O-N 3.04Å; S236-D239 VanDerWaalsContact O-N 3.14Å; D239-S243 WeakPolarHBondContact O-CB 3.46Å; D239-S243 PolarHBondContact O-N 3.3Å; D239-S243 PolarHBondContact O-OG 2.81Å
240F67.3Low62.4Low28 Ų2895 Ų9512%0.12348%0.481CS..Hα-helixtrans-63.1-48174.4176.8-102.4000112.1V185 M235 S236 K238 E242 S243 L244V185-F240 HydrophobicContact CB-CZ 4.21Å; V185-F240 HydrophobicContact CG1-CE2 4.45Å; V185-F240 HydrophobicContact CG1-CZ 4.01Å; M235-F240 HydrophobicContact SD-CB 4.24Å; S236-F240 PolarHBondContact O-N 3.15Å; K238-F240 PolarHBondContact O-N 2.9Å; F240-E242 VanDerWaalsContact C-N 3.32Å; F240-E242 PolarHBondContact O-N 3.39Å; F240-S243 PolarHBondContact O-N 3.14Å; F240-L244 VanDerWaalsContact O-CB 3.29Å; F240-L244 WeakPolarHBondContact O-CB 3.36Å; F240-L244 PolarHBondContact O-N 3.01Å
241Y68.4Low63.4Low113 Ų11391.6 Ų91.644%0.44347%0.465SS..Hα-helixtrans-67.6-32.8179-74.9-64.1000112.6K237 K238 L244 R245K237-Y241 HydrophobicContact CD-CE2 4.22Å; K237-Y241 HydrophobicContact CG-CD2 4.08Å; K237-Y241 HydrophobicContact CG-CE2 3.59Å; K237-Y241 WeakPolarHBondContact O-CD2 3.43Å; K237-Y241 PolarHBondContact O-N 3.43Å; K238-Y241 PolarHBondContact O-N 3.19Å; K238-Y241 VanDerWaalsContact O-N 3.14Å; Y241-L244 HydrophobicContact CD1-CD2 4.38Å; Y241-L244 PolarHBondContact O-N 3.49Å; Y241-R245 WeakPolarHBondContact O-CB 3.48Å; Y241-R245 PolarHBondContact O-N 3.08Å
242E70.7Confident63.9Low125 Ų12589.5 Ų89.558%0.58446%0.464SS*.Hα-helixtrans-68.1-42.6176.2-163.8161.2-153.200111.4K238 F240 R245 H246K238-E242 PolarHBondContact O-N 3.25Å; F240-E242 VanDerWaalsContact C-N 3.32Å; F240-E242 PolarHBondContact O-N 3.39Å; E242-R245 WeakPolarHBondContact O-CB 3.5Å; E242-R245 PolarHBondContact O-N 2.84Å; E242-H246 PolarHBondContact O-N 3.4Å
243S65.6Low64.1Low44 Ų4494 Ų9431%0.30848%0.481SS..Hα-helixtrans-66.4-39.1173.8-550000112.2M235 D239 F240 R245 H246 F247M235-S243 WeakPolarHBondContact CE-OG 3.39Å; D239-S243 WeakPolarHBondContact O-CB 3.46Å; D239-S243 PolarHBondContact O-N 3.3Å; D239-S243 PolarHBondContact O-OG 2.81Å; F240-S243 PolarHBondContact O-N 3.14Å; S243-R245 VanDerWaalsContact C-N 3.28Å; S243-R245 PolarHBondContact O-N 3.26Å; S243-H246 PolarHBondContact O-N 3.32Å; S243-F247 PolarHBondContact O-N 3.29Å
244L67.2Low64.3Low62 Ų6295.3 Ų95.333%0.32547%0.474SS..Hα-helixtrans-63.9-35.9175.1-168.978.2000111.4F240 Y241 F247 L248F240-L244 VanDerWaalsContact O-CB 3.29Å; F240-L244 WeakPolarHBondContact O-CB 3.36Å; F240-L244 PolarHBondContact O-N 3.01Å; Y241-L244 HydrophobicContact CD1-CD2 4.38Å; Y241-L244 PolarHBondContact O-N 3.49Å; L244-F247 PolarHBondContact O-N 3.47Å; L244-L248 HydrophobicContact CD2-CD1 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.02Å; L244-L248 HydrophobicContact CG-CG 4.5Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 WeakPolarHBondContact O-CG 2.88Å; L244-L248 PolarHBondContact O-N 3.27Å
245R68.3Low64.4Low179 Ų17993.3 Ų93.368%0.67545%0.454SS*.Hα-helixtrans-63.3-47177-162.3179.9-158.9-174.64.2111.1Y241 E242 S243 F247 L248 E249Y241-R245 WeakPolarHBondContact O-CB 3.48Å; Y241-R245 PolarHBondContact O-N 3.08Å; E242-R245 WeakPolarHBondContact O-CB 3.5Å; E242-R245 PolarHBondContact O-N 2.84Å; S243-R245 VanDerWaalsContact C-N 3.28Å; S243-R245 PolarHBondContact O-N 3.26Å; R245-F247 VanDerWaalsContact C-N 3.28Å; R245-F247 PolarHBondContact O-N 3.11Å; R245-L248 PolarHBondContact O-N 3.15Å; R245-E249 WeakPolarHBondContact O-CG 3.34Å; R245-E249 PolarHBondContact O-N 3.48Å; R245-E249 VanDerWaalsContact O-N 3.1Å
246H68.7Low64Low115 Ų11596.6 Ų96.653%0.53247%0.467SS..Hα-helixtrans-59.7-38.4173.3-82.6-58.1000112.4E242 S243 E249 F250E242-H246 PolarHBondContact O-N 3.4Å; S243-H246 PolarHBondContact O-N 3.32Å; H246-E249 IonicContact ND1-OE2 3.7Å; H246-E249 PolarHBondContact O-N 3.36Å; H246-F250 WeakPolarHBondContact O-CD2 3.38Å; H246-F250 WeakPolarHBondContact O-CE2 3.24Å
247F63.8Low63.5Low56 Ų5697.8 Ų97.825%0.24647%0.472CS..Hα-helixtrans-67.9-38.2176.5-177.6-109.4000113.5F223 S243 L244 R245 E249 F250 R255F223-F247 HydrophobicContact CE1-CE2 4.3Å; F223-F247 HydrophobicContact CE1-CZ 4.31Å; F223-F247 HydrophobicContact CE2-CD2 4.34Å; F223-F247 AromaticContact CE2-CE2 3.67Å; F223-F247 HydrophobicContact CE2-CE2 3.67Å; F223-F247 HydrophobicContact CE2-CZ 4.3Å; F223-F247 AromaticContact CZ-CD2 3.77Å; F223-F247 HydrophobicContact CZ-CD2 3.77Å; F223-F247 HydrophobicContact CZ-CE1 4.46Å; F223-F247 AromaticContact CZ-CE2 3.21Å; F223-F247 HydrophobicContact CZ-CE2 3.21Å; F223-F247 AromaticContact CZ-CZ 3.6Å; F223-F247 HydrophobicContact CZ-CZ 3.6Å; S243-F247 PolarHBondContact O-N 3.29Å; L244-F247 PolarHBondContact O-N 3.47Å; R245-F247 VanDerWaalsContact C-N 3.28Å; R245-F247 PolarHBondContact O-N 3.11Å; F247-E249 VanDerWaalsContact C-N 3.29Å; F247-E249 PolarHBondContact O-N 2.68Å; F247-F250 PolarHBondContact O-N 2.79Å; F247-R255 HydrophobicContact CD2-CG 4.3Å; F247-R255 HydrophobicContact CE1-CG 4.42Å; F247-R255 HydrophobicContact CE2-CB 4.24Å; F247-R255 HydrophobicContact CE2-CG 3.54Å; F247-R255 HydrophobicContact CZ-CB 4.2Å; F247-R255 HydrophobicContact CZ-CG 3.65Å
248L66.8Low62.6Low104 Ų10497 Ų9755%0.54547%0.472SS..Hα-helixtrans-72.2-22.5179.1-75.6166.1000113.1L244 R245 F250L244-L248 HydrophobicContact CD2-CD1 4.25Å; L244-L248 HydrophobicContact CG-CD1 4.02Å; L244-L248 HydrophobicContact CG-CG 4.5Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 WeakPolarHBondContact O-CG 2.88Å; L244-L248 PolarHBondContact O-N 3.27Å; R245-L248 PolarHBondContact O-N 3.15Å; L248-F250 VanDerWaalsContact C-N 3.28Å
249E70.7Confident61.8Low136 Ų13690.7 Ų90.764%0.63645%0.447SS*.Hα-helixtrans-69-25.9172.4-77.2175.1174.800112.5R245 H246 F247R245-E249 WeakPolarHBondContact O-CG 3.34Å; R245-E249 PolarHBondContact O-N 3.48Å; R245-E249 VanDerWaalsContact O-N 3.1Å; H246-E249 IonicContact ND1-OE2 3.7Å; H246-E249 PolarHBondContact O-N 3.36Å; F247-E249 VanDerWaalsContact C-N 3.29Å; F247-E249 PolarHBondContact O-N 2.68Å
250F66.2Low60.5Low91 Ų9190.9 Ų90.940%0.39945%0.453SS..SBendtrans-71.9135175-68.2-70.6000111.8H246 F247 L248 E254 R255H246-F250 WeakPolarHBondContact O-CD2 3.38Å; H246-F250 WeakPolarHBondContact O-CE2 3.24Å; F247-F250 PolarHBondContact O-N 2.79Å; L248-F250 VanDerWaalsContact C-N 3.28Å; F250-E254 HydrophobicContact CB-CB 4.38Å; F250-E254 HydrophobicContact CD1-CB 4.39Å; F250-E254 WeakPolarHBondContact CD1-OE2 3.29Å; F250-R255 HydrophobicContact CB-CG 3.94Å; F250-R255 VanDerWaalsContact O-CZ 3.28Å; F250-R255 PolarHBondContact O-NE 3.22Å; F250-R255 PolarHBondContact O-NH2 2.77Å
251G60.6Low59.1Low38 Ų3896.1 Ų96.139%0.39249%0.494SS..  trans-60.5154.1173.600000111.6F253 E254 R255G251-F253 PolarHBondContact O-N 2.86Å; G251-F253 VanDerWaalsContact O-N 3.14Å; G251-E254 PolarHBondContact O-N 2.99Å; G251-E254 VanDerWaalsContact O-N 3.08Å; G251-R255 PolarHBondContact O-N 3.46Å
252A59.1Low58.6Low73 Ų7395.3 Ų95.360%0.60350%0.496SS*.Hα-helixtrans-54.7-34.5179.100000112.5F256A252-F256 PolarHBondContact O-N 3.33Å; A252-F256 VanDerWaalsContact O-N 3.15Å
253F53.6Low58Low168 Ų16893.7 Ų93.774%0.73749%0.491SS*.Hα-helixtrans-68-43.7176.9-168.4-98.1000112.8G251 R255 F256 V257G251-F253 PolarHBondContact O-N 2.86Å; G251-F253 VanDerWaalsContact O-N 3.14Å; F253-R255 VanDerWaalsContact C-N 3.33Å; F253-R255 PolarHBondContact O-N 3.02Å; F253-F256 WeakPolarHBondContact O-CB 2.99Å; F253-F256 PolarHBondContact O-N 2.86Å; F253-V257 HydrophobicContact CD1-CG2 4.33Å; F253-V257 HydrophobicContact CE1-CG2 4.08Å; F253-V257 WeakPolarHBondContact O-CG2 3.38Å; F253-V257 PolarHBondContact O-N 2.92Å; F253-V257 VanDerWaalsContact O-N 3.08Å
254E57.7Low57.6Low106 Ų10696.5 Ų96.550%0.49550%0.502SS..Hα-helixtrans-68.7-34.7178.2-66.8-172.6147.100111.8F250 G251 F256 V257 L258F250-E254 HydrophobicContact CB-CB 4.38Å; F250-E254 HydrophobicContact CD1-CB 4.39Å; F250-E254 WeakPolarHBondContact CD1-OE2 3.29Å; G251-E254 PolarHBondContact O-N 2.99Å; G251-E254 VanDerWaalsContact O-N 3.08Å; E254-F256 VanDerWaalsContact C-N 3.28Å; E254-F256 PolarHBondContact O-N 3.25Å; E254-V257 PolarHBondContact O-N 3.38Å; E254-L258 WeakPolarHBondContact O-CG 3.42Å; E254-L258 PolarHBondContact O-N 3.01Å; E254-L258 VanDerWaalsContact O-N 3.07Å
255R55.7Low57Low76 Ų7698.5 Ų98.529%0.28751%0.512SS..Hα-helixtrans-60.3-39.5171.5-71.7-175.2-100.5-174.6-14.1111.9F247 F250 G251 F253 T259F247-R255 HydrophobicContact CD2-CG 4.3Å; F247-R255 HydrophobicContact CE1-CG 4.42Å; F247-R255 HydrophobicContact CE2-CB 4.24Å; F247-R255 HydrophobicContact CE2-CG 3.54Å; F247-R255 HydrophobicContact CZ-CB 4.2Å; F247-R255 HydrophobicContact CZ-CG 3.65Å; F250-R255 HydrophobicContact CB-CG 3.94Å; F250-R255 VanDerWaalsContact O-CZ 3.28Å; F250-R255 PolarHBondContact O-NE 3.22Å; F250-R255 PolarHBondContact O-NH2 2.77Å; G251-R255 PolarHBondContact O-N 3.46Å; F253-R255 VanDerWaalsContact C-N 3.33Å; F253-R255 PolarHBondContact O-N 3.02Å; R255-T259 PolarHBondContact O-N 2.66Å; R255-T259 PolarHBondContact O-OG1 3.04Å
256F49.8Very low56.3Low109 Ų10993.5 Ų93.548%0.47850%0.502SS..Hα-helixtrans-69.1-41.5179-130.5-81.7000112.4A252 F253 E254 L258 T259 C260A252-F256 PolarHBondContact O-N 3.33Å; A252-F256 VanDerWaalsContact O-N 3.15Å; F253-F256 WeakPolarHBondContact O-CB 2.99Å; F253-F256 PolarHBondContact O-N 2.86Å; E254-F256 VanDerWaalsContact C-N 3.28Å; E254-F256 PolarHBondContact O-N 3.25Å; F256-L258 VanDerWaalsContact C-N 3.33Å; F256-L258 PolarHBondContact O-N 2.95Å; F256-T259 WeakPolarHBondContact CA-OG1 3.39Å; F256-T259 PolarHBondContact O-N 3.33Å; F256-T259 VanDerWaalsContact O-N 3.15Å; F256-T259 PolarHBondContact O-OG1 2.85Å; F256-C260 WeakPolarHBondContact O-CB 3.36Å; F256-C260 PolarHBondContact O-N 3.07Å; F256-C260 VanDerWaalsContact O-N 3.11Å
257V53.6Low55.5Low85 Ų8592.1 Ų92.152%0.51550%0.5SS..Hα-helixtrans-63.2-39.8176.9174.10000111.1F253 E254 T259 C260 S261F253-V257 HydrophobicContact CD1-CG2 4.33Å; F253-V257 HydrophobicContact CE1-CG2 4.08Å; F253-V257 WeakPolarHBondContact O-CG2 3.38Å; F253-V257 PolarHBondContact O-N 2.92Å; F253-V257 VanDerWaalsContact O-N 3.08Å; E254-V257 PolarHBondContact O-N 3.38Å; V257-T259 VanDerWaalsContact C-N 3.26Å; V257-T259 PolarHBondContact O-N 3.28Å; V257-C260 PolarHBondContact O-N 2.66Å; V257-S261 PolarHBondContact O-N 2.85Å
258L47.4Very low54.9Low91 Ų9194.6 Ų94.648%0.47652%0.518SS..Hα-helixtrans-65.3-27.9175.1-74.4164.5000113.1E254 F256E254-L258 WeakPolarHBondContact O-CG 3.42Å; E254-L258 PolarHBondContact O-N 3.01Å; E254-L258 VanDerWaalsContact O-N 3.07Å; F256-L258 VanDerWaalsContact C-N 3.33Å; F256-L258 PolarHBondContact O-N 2.95Å
259T49.6Very low53.9Low31 Ų3193.9 Ų93.919%0.1952%0.516CS..Hα-helixtrans-89.7-7.2175.941.20000114.6N219 F223 R255 F256 V257N219-T259 WeakPolarHBondContact CB-O 3.32Å; N219-T259 PolarHBondContact ND2-O 3.27Å; F223-T259 HydrophobicContact CB-CG2 4.11Å; F223-T259 HydrophobicContact CD2-CG2 3.66Å; F223-T259 HydrophobicContact CE2-CG2 4.34Å; F223-T259 HydrophobicContact CG-CG2 3.93Å; R255-T259 PolarHBondContact O-N 2.66Å; R255-T259 PolarHBondContact O-OG1 3.04Å; F256-T259 WeakPolarHBondContact CA-OG1 3.39Å; F256-T259 PolarHBondContact O-N 3.33Å; F256-T259 VanDerWaalsContact O-N 3.15Å; F256-T259 PolarHBondContact O-OG1 2.85Å; V257-T259 VanDerWaalsContact C-N 3.26Å; V257-T259 PolarHBondContact O-N 3.28Å
260C40Very low52.6Low78 Ų7890.4 Ų90.453%0.52751%0.506SS..Hα-helixtrans-125.57.4-173.9-81.70000114.7F256 V257F256-C260 WeakPolarHBondContact O-CB 3.36Å; F256-C260 PolarHBondContact O-N 3.07Å; F256-C260 VanDerWaalsContact O-N 3.11Å; V257-C260 PolarHBondContact O-N 2.66Å
261S37.3Very low51.3Low139 Ų13990.4 Ų90.497%0.97252%0.516SS*.  trans-84.10167.9-159.80000112.2N219 V257N219-S261 PolarHBondContact ND2-OXT 3.26Å; V257-S261 PolarHBondContact O-N 2.85Å

Retrieved 261 of 261 residues in 830.2 ms (Link to these results)