A0A077Z967_TRITR Loading...

Cyclin B2

AlphaFold DB , UniProt , Accession A0A077Z967, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M33.7Very low59Low224 Ų224133.5 Ų133.5100%1.10366%0.664SS**  0950-67.5-163.8-172.300110.4
2D32.7Very low60.5Low155 Ų155124.5 Ų124.583%0.82962%0.616SS**  cis-168.5111.5-33.8-77.1-31.5000101.8
3G44.3Very low61.8Low47 Ų47117.3 Ų117.349%0.48559%0.589SS.*  trans168.5-8.9-175.200000118.4K40G3-K40 WeakPolarHBondContact O-CE 3.25Å; G3-K40 PolarHBondContact O-NZ 3.1Å
4Y52.4Low63.1Low212 Ų212115.1 Ų115.183%0.83158%0.584SS**SBendtrans-80.6-13.1-178.2-65.4-77.1000114.5K6 K40Y4-K6 VanDerWaalsContact C-N 3.32Å; Y4-K6 PolarHBondContact O-N 3.46Å; Y4-K40 PolarHBondContact O-NZ 3.08Å
5D51.9Low64.2Low170 Ų170108.3 Ų108.391%0.90955%0.55SS*.THydrogen-bonded Turntrans-8227.8-176.8-79.3-16.2000117.3
6K59.2Low65.1Low163 Ų163102.4 Ų102.471%0.70952%0.521SS*.THydrogen-bonded Turntrans-122.9-2.5-175.1-70.7-172.6178.8179.80116Y4 M11Y4-K6 VanDerWaalsContact C-N 3.32Å; Y4-K6 PolarHBondContact O-N 3.46Å; K6-M11 WeakPolarHBondContact O-CE 3.12Å
7I66.5Low66.1Low61 Ų61102.9 Ų102.931%0.31352%0.52SS..  trans-105.4112.8173.3-61.6172.8000107.4K40 L43I7-K40 HydrophobicContact CD1-CB 3.52Å; I7-K40 HydrophobicContact CD1-CD 3.75Å; I7-K40 HydrophobicContact CD1-CG 3.51Å; I7-K40 HydrophobicContact CG1-CD 3.97Å; I7-K40 HydrophobicContact CG1-CG 3.96Å; I7-L43 HydrophobicContact CD1-CD2 4.07Å
8T77.4Confident67.1Low68 Ų68100.4 Ų100.442%0.41750%0.504SS..  trans-85.3150.1169.162.30000109.5R10 M11 R12T8-R10 PolarHBondContact O-N 2.59Å; T8-R10 VanDerWaalsContact O-N 3.08Å; T8-M11 HydrophobicContact CG2-SD 4.45Å; T8-M11 WeakPolarHBondContact O-CB 3.07Å; T8-M11 PolarHBondContact O-N 3.09Å; T8-M11 VanDerWaalsContact OG1-CG 3.28Å; T8-M11 WeakPolarHBondContact OG1-CG 3.21Å; T8-M11 PolarHBondContact OG1-N 3.05Å; T8-R12 PolarHBondContact O-N 2.98Å
9P76.3Confident67.9Low80 Ų8095.2 Ų95.252%0.51948%0.478SS..Hα-helixtrans-52-30.5170.2-28.435.8000112.7R12 A13 Y133P9-R12 PolarHBondContact O-N 3.12Å; P9-A13 PolarHBondContact O-N 3.44Å; P9-Y133 HydrophobicContact CB-CG 4.46Å; P9-Y133 HydrophobicContact CG-CD1 4.29Å
10R78.7Confident68.6Low206 Ų20693 Ų9378%0.77747%0.469SS*.Hα-helixtrans-63.7-43.5174.3-173.8178178.8-176-0.5112.7T8 R12 A13 V14T8-R10 PolarHBondContact O-N 2.59Å; T8-R10 VanDerWaalsContact O-N 3.08Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3.11Å; R10-A13 PolarHBondContact O-N 3.46Å; R10-V14 WeakPolarHBondContact O-CG2 3.48Å; R10-V14 PolarHBondContact O-N 3.24Å
11M76.5Confident69.2Low83 Ų8393.9 Ų93.941%0.40947%0.472SS..Hα-helixtrans-63.1-39.7176.9-70.5162.97600111.6K6 T8 L15 L43K6-M11 WeakPolarHBondContact O-CE 3.12Å; T8-M11 HydrophobicContact CG2-SD 4.45Å; T8-M11 WeakPolarHBondContact O-CB 3.07Å; T8-M11 PolarHBondContact O-N 3.09Å; T8-M11 VanDerWaalsContact OG1-CG 3.28Å; T8-M11 WeakPolarHBondContact OG1-CG 3.21Å; T8-M11 PolarHBondContact OG1-N 3.05Å; M11-L15 PolarHBondContact O-N 3.29Å; M11-L15 VanDerWaalsContact O-N 3.12Å; M11-L43 HydrophobicContact CB-CD1 4.11Å; M11-L43 HydrophobicContact CE-CD1 3.81Å
12R76.7Confident71.4Confident25 Ų2583.7 Ų83.79%0.09442%0.422CS..Hα-helixtrans-63.3-45.9173.4-177.6-175175-84.4-3.6111.4T8 P9 R10 V14 L15 V16 D37 L130T8-R12 PolarHBondContact O-N 2.98Å; P9-R12 PolarHBondContact O-N 3.12Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3.11Å; R12-V14 VanDerWaalsContact C-N 3.34Å; R12-V14 PolarHBondContact O-N 3.47Å; R12-L15 PolarHBondContact O-N 3.49Å; R12-V16 HydrophobicContact CG-CG2 4.14Å; R12-V16 WeakPolarHBondContact O-CG2 3.27Å; R12-V16 PolarHBondContact O-N 3.31Å; R12-D37 IonicContact NH2-OD1 3.59Å; R12-L130 PolarHBondContact NH1-O 3.34Å; R12-L130 PolarHBondContact NH2-O 2.93Å
13A76.8Confident73.8Confident31 Ų3177.3 Ų77.326%0.25639%0.387SS..Hα-helixtrans-58.7-44.4179.600000112.1P9 R10 L15 V16 E17P9-A13 PolarHBondContact O-N 3.44Å; R10-A13 PolarHBondContact O-N 3.46Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.4Å; A13-V16 PolarHBondContact O-N 3.49Å; A13-E17 VanDerWaalsContact O-CB 3.3Å; A13-E17 WeakPolarHBondContact O-CB 3.41Å; A13-E17 PolarHBondContact O-N 3.01Å
14V80.3Confident75.5Confident86 Ų8683.3 Ų83.352%0.52140%0.4SS..Hα-helixtrans-61.5-42175.9173.20000111.5R10 R12 W18R10-V14 WeakPolarHBondContact O-CG2 3.48Å; R10-V14 PolarHBondContact O-N 3.24Å; R12-V14 VanDerWaalsContact C-N 3.34Å; R12-V14 PolarHBondContact O-N 3.47Å; V14-W18 WeakPolarHBondContact O-CB 3.31Å; V14-W18 PolarHBondContact O-N 2.86Å
15L79Confident76.9Confident14 Ų1480.5 Ų80.57%0.07339%0.388CS..Hα-helixtrans-65.8-46.6177-179.870000112.1M11 R12 A13 E17 W18 I19 V38 L43M11-L15 PolarHBondContact O-N 3.29Å; M11-L15 VanDerWaalsContact O-N 3.12Å; R12-L15 PolarHBondContact O-N 3.49Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.4Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 2.87Å; L15-W18 HydrophobicContact CD1-CE3 4.3Å; L15-W18 WeakPolarHBondContact O-CB 3.45Å; L15-W18 PolarHBondContact O-N 3.4Å; L15-I19 HydrophobicContact CD1-CD1 4.49Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 HydrophobicContact CG-CG1 4.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 2.94Å; L15-V38 HydrophobicContact CD2-CB 3.77Å; L15-V38 HydrophobicContact CD2-CG1 3.53Å; L15-V38 HydrophobicContact CD2-CG2 3.72Å; L15-L43 WeakPolarHBondContact CD1-O 3.39Å; L15-L43 HydrophobicContact CD2-CB 4.21Å; L15-L43 HydrophobicContact CD2-CD2 4.4Å; L15-L43 VanDerWaalsContact CD2-O 3.27Å; L15-L43 WeakPolarHBondContact CD2-O 3.49Å
16V79.9Confident78.2Confident14 Ų1475 Ų759%0.08536%0.355CS..Hα-helixtrans-63.6-41.7179.6175.80000110.1R12 A13 W18 I19 V20 L130 L131R12-V16 HydrophobicContact CG-CG2 4.14Å; R12-V16 WeakPolarHBondContact O-CG2 3.27Å; R12-V16 PolarHBondContact O-N 3.31Å; A13-V16 PolarHBondContact O-N 3.49Å; V16-W18 VanDerWaalsContact C-N 3.3Å; V16-W18 PolarHBondContact O-N 2.96Å; V16-I19 PolarHBondContact O-N 3.4Å; V16-V20 HydrophobicContact CG1-CG2 4.39Å; V16-V20 WeakPolarHBondContact O-CG2 3.47Å; V16-V20 PolarHBondContact O-N 3.42Å; V16-L130 HydrophobicContact CG1-CB 4.38Å; V16-L131 HydrophobicContact CB-CD2 4.04Å; V16-L131 HydrophobicContact CG1-CD2 3.67Å
17E81.6Confident79.2Confident110 Ų11076.2 Ų76.251%0.51436%0.36SS..Hα-helixtrans-56.9-45.2173-178.6178.4-170.100111.5A13 L15 V20 Q21A13-E17 VanDerWaalsContact O-CB 3.3Å; A13-E17 WeakPolarHBondContact O-CB 3.41Å; A13-E17 PolarHBondContact O-N 3.01Å; L15-E17 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 2.87Å; E17-V20 WeakPolarHBondContact O-CB 3.4Å; E17-V20 PolarHBondContact O-N 3.17Å; E17-Q21 WeakPolarHBondContact O-CG 3.47Å; E17-Q21 PolarHBondContact O-N 2.92Å; E17-Q21 VanDerWaalsContact O-N 3.09Å
18W84.5Confident79.7Confident59 Ų5974 Ų7422%0.22335%0.349CS..Hα-helixtrans-64.7-41.8175.5-178.883.7000112.5V14 L15 V16 V20 Q21 V22 Q44 V48 V71 T72V14-W18 WeakPolarHBondContact O-CB 3.31Å; V14-W18 PolarHBondContact O-N 2.86Å; L15-W18 HydrophobicContact CD1-CE3 4.3Å; L15-W18 WeakPolarHBondContact O-CB 3.45Å; L15-W18 PolarHBondContact O-N 3.4Å; V16-W18 VanDerWaalsContact C-N 3.3Å; V16-W18 PolarHBondContact O-N 2.96Å; W18-V20 VanDerWaalsContact C-N 3.31Å; W18-V20 PolarHBondContact O-N 3.07Å; W18-Q21 WeakPolarHBondContact O-CB 3.24Å; W18-Q21 PolarHBondContact O-N 3.45Å; W18-Q21 VanDerWaalsContact O-N 3.12Å; W18-V22 HydrophobicContact CD2-CG2 4.02Å; W18-V22 HydrophobicContact CE3-CG2 4.11Å; W18-V22 HydrophobicContact CH2-CG2 3.83Å; W18-V22 HydrophobicContact CZ2-CG2 3.74Å; W18-V22 HydrophobicContact CZ3-CG2 4Å; W18-V22 WeakPolarHBondContact O-CG2 3.43Å; W18-V22 PolarHBondContact O-N 2.81Å; W18-Q44 HydrophobicContact CH2-CG 4.21Å; W18-Q44 HydrophobicContact CZ3-CG 4.35Å; W18-V48 HydrophobicContact CH2-CG2 3.13Å; W18-V48 HydrophobicContact CZ2-CG2 4.44Å; W18-V48 HydrophobicContact CZ3-CG2 3.21Å; W18-V71 HydrophobicContact CH2-CG1 3.52Å; W18-V71 HydrophobicContact CZ2-CG1 3.48Å; W18-V71 VanDerWaalsContact CZ2-CG1 3.48Å; W18-T72 HydrophobicContact CH2-CG2 4.44Å
19I82.1Confident79.6Confident1 Ų171.8 Ų71.81%0.00534%0.337CS..Hα-helixtrans-60-41.6174.5-71.1171.8000110.8L15 V16 Q21 V22 H23 V38 L51L15-I19 HydrophobicContact CD1-CD1 4.49Å; L15-I19 HydrophobicContact CD2-CD1 4.44Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 HydrophobicContact CG-CG1 4.45Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 2.94Å; V16-I19 PolarHBondContact O-N 3.4Å; I19-Q21 VanDerWaalsContact C-N 3.29Å; I19-Q21 PolarHBondContact O-N 2.87Å; I19-V22 PolarHBondContact O-N 3.06Å; I19-H23 WeakPolarHBondContact O-CB 3.39Å; I19-H23 PolarHBondContact O-N 3.08Å; I19-V38 HydrophobicContact CD1-CG2 4.17Å; I19-L51 HydrophobicContact CG2-CD1 4.04Å; I19-L51 HydrophobicContact CG2-CD2 4.41Å
20V81.3Confident79.5Confident51 Ų5169.1 Ų69.131%0.30932%0.32SS..Hα-helixtrans-59.6-41.5175.4172.50000110.5V16 E17 W18 H23 F24 M33V16-V20 HydrophobicContact CG1-CG2 4.39Å; V16-V20 WeakPolarHBondContact O-CG2 3.47Å; V16-V20 PolarHBondContact O-N 3.42Å; E17-V20 WeakPolarHBondContact O-CB 3.4Å; E17-V20 PolarHBondContact O-N 3.17Å; W18-V20 VanDerWaalsContact C-N 3.31Å; W18-V20 PolarHBondContact O-N 3.07Å; V20-H23 PolarHBondContact O-N 3.37Å; V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.29Å; V20-M33 HydrophobicContact CB-SD 4.39Å; V20-M33 HydrophobicContact CG2-SD 3.62Å
21Q82.3Confident79.3Confident112 Ų11260.3 Ų60.352%0.52329%0.288SS..Hα-helixtrans-64.5-43.5176.1-66.6172.716.500112E17 W18 I19 F24 R25E17-Q21 WeakPolarHBondContact O-CG 3.47Å; E17-Q21 PolarHBondContact O-N 2.92Å; E17-Q21 VanDerWaalsContact O-N 3.09Å; W18-Q21 WeakPolarHBondContact O-CB 3.24Å; W18-Q21 PolarHBondContact O-N 3.45Å; W18-Q21 VanDerWaalsContact O-N 3.12Å; I19-Q21 VanDerWaalsContact C-N 3.29Å; I19-Q21 PolarHBondContact O-N 2.87Å; Q21-F24 PolarHBondContact O-N 3.36Å; Q21-R25 WeakPolarHBondContact O-CB 3.34Å; Q21-R25 PolarHBondContact O-N 2.88Å
22V79.4Confident78.9Confident9 Ų956.3 Ų56.36%0.05527%0.268CS..Hα-helixtrans-63.9-47.7176.21780000110.4W18 I19 F24 R25 Y26 L51 M63 V71W18-V22 HydrophobicContact CD2-CG2 4.02Å; W18-V22 HydrophobicContact CE3-CG2 4.11Å; W18-V22 HydrophobicContact CH2-CG2 3.83Å; W18-V22 HydrophobicContact CZ2-CG2 3.74Å; W18-V22 HydrophobicContact CZ3-CG2 4Å; W18-V22 WeakPolarHBondContact O-CG2 3.43Å; W18-V22 PolarHBondContact O-N 2.81Å; I19-V22 PolarHBondContact O-N 3.06Å; V22-F24 VanDerWaalsContact C-N 3.31Å; V22-F24 PolarHBondContact O-N 3.15Å; V22-R25 WeakPolarHBondContact O-CB 3.46Å; V22-R25 PolarHBondContact O-N 2.66Å; V22-R25 VanDerWaalsContact O-N 3.12Å; V22-Y26 HydrophobicContact CG1-CD2 3.86Å; V22-Y26 HydrophobicContact CG1-CE2 4.17Å; V22-Y26 WeakPolarHBondContact O-CD2 3.19Å; V22-Y26 PolarHBondContact O-N 2.64Å; V22-L51 HydrophobicContact CB-CD2 3.99Å; V22-L51 HydrophobicContact CG1-CD2 3.49Å; V22-L51 VanDerWaalsContact CG1-CD2 3.49Å; V22-M63 HydrophobicContact CG1-CE 4.3Å; V22-V71 HydrophobicContact CB-CG1 4.39Å; V22-V71 HydrophobicContact CG1-CG1 3.85Å; V22-V71 HydrophobicContact CG1-CG2 4.29Å; V22-V71 HydrophobicContact CG2-CG1 3.53Å
23H82.1Confident78.7Confident22 Ų2255.5 Ų55.510%0.10227%0.266CS..Hα-helixtrans-53-48.7176.7176.8-79.8000111.8I19 V20 Y26 K27 L28 A29I19-H23 WeakPolarHBondContact O-CB 3.39Å; I19-H23 PolarHBondContact O-N 3.08Å; V20-H23 PolarHBondContact O-N 3.37Å; H23-Y26 PolarHBondContact O-N 3.42Å; H23-K27 PolarHBondContact O-N 2.84Å; H23-L28 PolarHBondContact CE1-O 3Å; H23-L28 PolarHBondContact NE2-O 3.47Å; H23-L28 PolarHBondContact O-N 3.13Å; H23-A29 VanDerWaalsContact NE2-C 3.31Å; H23-A29 PolarHBondContact NE2-O 3.48Å
24F81.4Confident78.2Confident172 Ų17255.2 Ų55.275%0.75426%0.259SS*.Hα-helixtrans-64.8-41.5177.5-171.8-96.9000112.3V20 Q21 V22 Y26 K27V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.29Å; Q21-F24 PolarHBondContact O-N 3.36Å; V22-F24 VanDerWaalsContact C-N 3.31Å; V22-F24 PolarHBondContact O-N 3.15Å; F24-Y26 VanDerWaalsContact C-N 3.32Å; F24-Y26 PolarHBondContact O-N 3.23Å; F24-K27 PolarHBondContact O-N 3.3Å
25R81.4Confident77.3Confident154 Ų15452.9 Ų52.958%0.58124%0.242SC*.Hα-helixtrans-61.2-39.5178.7-175.7175.4-176.7178.10.2112.4Q21 V22Q21-R25 WeakPolarHBondContact O-CB 3.34Å; Q21-R25 PolarHBondContact O-N 2.88Å; V22-R25 WeakPolarHBondContact O-CB 3.46Å; V22-R25 PolarHBondContact O-N 2.66Å; V22-R25 VanDerWaalsContact O-N 3.12Å
26Y78.9Confident76.4Confident54 Ų5452.8 Ų52.821%0.21224%0.243CC..Hα-helixtrans-93.70.4-179.2-72.9-86.9000113.9V22 H23 F24 L28 M63 Q67 V71V22-Y26 HydrophobicContact CG1-CD2 3.86Å; V22-Y26 HydrophobicContact CG1-CE2 4.17Å; V22-Y26 WeakPolarHBondContact O-CD2 3.19Å; V22-Y26 PolarHBondContact O-N 2.64Å; H23-Y26 PolarHBondContact O-N 3.42Å; F24-Y26 VanDerWaalsContact C-N 3.32Å; F24-Y26 PolarHBondContact O-N 3.23Å; Y26-L28 PolarHBondContact O-N 3.29Å; Y26-M63 HydrophobicContact CD2-CE 4.35Å; Y26-Q67 HydrophobicContact CE1-CB 3.97Å; Y26-Q67 HydrophobicContact CE1-CG 4.12Å; Y26-V71 HydrophobicContact CD2-CG2 4.31Å; Y26-V71 HydrophobicContact CE2-CG2 3.22Å; Y26-V71 WeakPolarHBondContact OH-CG2 3.42Å
27K79.3Confident75.4Confident189 Ų18956.6 Ų56.682%0.82226%0.263SS*.THydrogen-bonded Turntrans53.840.1179.2-56-178.2-179.6179.60113.1H23 F24H23-K27 PolarHBondContact O-N 2.84Å; F24-K27 PolarHBondContact O-N 3.3Å
28L77.1Confident74.2Confident13 Ų1352.4 Ų52.47%0.06825%0.245CC..  trans-70.2159.8179.7-57.2175.2000110.9H23 Y26 T32 L51 M63H23-L28 PolarHBondContact CE1-O 3Å; H23-L28 PolarHBondContact NE2-O 3.47Å; H23-L28 PolarHBondContact O-N 3.13Å; Y26-L28 PolarHBondContact O-N 3.29Å; L28-T32 HydrophobicContact CB-CG2 4.37Å; L28-T32 HydrophobicContact CD1-CG2 4.15Å; L28-L51 HydrophobicContact CD1-CD1 3.93Å; L28-L51 HydrophobicContact CD1-CD2 4.18Å; L28-L51 HydrophobicContact CD1-CG 4.03Å; L28-M63 HydrophobicContact CD1-CG 4.24Å; L28-M63 HydrophobicContact CD1-SD 3.69Å; L28-M63 HydrophobicContact CD2-CG 3.92Å; L28-M63 HydrophobicContact CD2-SD 4.47Å
29A75.7Confident72.4Confident22 Ų2253 Ų5318%0.18226%0.262CS..  trans-63.1139175.500000109.9H23 E31 T32 D59H23-A29 VanDerWaalsContact NE2-C 3.31Å; H23-A29 PolarHBondContact NE2-O 3.48Å; A29-E31 PolarHBondContact O-N 2.85Å; A29-E31 VanDerWaalsContact O-N 3.13Å; A29-T32 WeakPolarHBondContact O-CB 3.18Å; A29-T32 PolarHBondContact O-N 3Å; A29-T32 PolarHBondContact O-OG1 2.87Å; A29-D59 WeakPolarHBondContact CA-OD1 3.33Å; A29-D59 WeakPolarHBondContact CB-OD1 3.43Å; A29-D59 PolarHBondContact N-OD1 3.02Å
30P75.2Confident70.8Confident25 Ų2555.9 Ų55.916%0.16228%0.275CS..Hα-helixtrans-58.6-29.1-178.921.3-30000112.7T32 M33 F34 I102P30-T32 PolarHBondContact O-N 3.01Å; P30-M33 WeakPolarHBondContact O-CB 3.28Å; P30-M33 PolarHBondContact O-N 3.32Å; P30-F34 WeakPolarHBondContact O-CD2 3.44Å; P30-I102 HydrophobicContact CB-CD1 3.67Å; P30-I102 HydrophobicContact CG-CD1 3.59Å
31E74.1Confident69.4Low20 Ų2057.8 Ų57.89%0.09329%0.291CS..Hα-helixtrans-51.7-42.4171.5-70.786.3165.300112.6A29 M33 F34 M35 E58 L100 I102 R106A29-E31 PolarHBondContact O-N 2.85Å; A29-E31 VanDerWaalsContact O-N 3.13Å; E31-M33 PolarHBondContact O-N 3.28Å; E31-F34 PolarHBondContact O-N 2.83Å; E31-F34 VanDerWaalsContact O-N 3.07Å; E31-M35 PolarHBondContact O-N 2.98Å; E31-E58 HydrophobicContact CB-CB 4.12Å; E31-E58 HydrophobicContact CB-CG 3.73Å; E31-E58 WeakPolarHBondContact CB-OE2 3.5Å; E31-L100 HydrophobicContact CB-CD1 3.57Å; E31-L100 HydrophobicContact CG-CD1 3.69Å; E31-I102 HydrophobicContact CG-CG2 3.94Å; E31-R106 IonicContact OE1-CZ 2.66Å; E31-R106 IonicContact OE1-NH1 3.87Å; E31-R106 PolarHBondContact OE1-NH1 2.68Å; E31-R106 IonicContact OE1-NH2 3.64Å; E31-R106 PolarHBondContact OE1-NH2 3.03Å; E31-R106 IonicContact OE2-NH2 3.93Å
32T68.5Low68.6Low0 Ų056.8 Ų56.80%029%0.289CS..Hα-helixtrans-56-38.6179.9-52.90000112L28 A29 P30 M35 L51 A54 D59L28-T32 HydrophobicContact CB-CG2 4.37Å; L28-T32 HydrophobicContact CD1-CG2 4.15Å; A29-T32 WeakPolarHBondContact O-CB 3.18Å; A29-T32 PolarHBondContact O-N 3Å; A29-T32 PolarHBondContact O-OG1 2.87Å; P30-T32 PolarHBondContact O-N 3.01Å; T32-M35 PolarHBondContact O-N 2.87Å; T32-L51 HydrophobicContact CG2-CD1 3.83Å; T32-A54 HydrophobicContact CG2-CB 3.55Å; T32-A54 WeakPolarHBondContact O-CB 3.36Å; T32-D59 PolarHBondContact OG1-OD2 3.35Å
33M72.7Confident68.4Low8 Ų858 Ų584%0.03930%0.295CS..Hα-helixtrans-72.2-33.5179.3-175.6177.773.500113.1V20 P30 E31 M35 S36 E127 L130V20-M33 HydrophobicContact CB-SD 4.39Å; V20-M33 HydrophobicContact CG2-SD 3.62Å; P30-M33 WeakPolarHBondContact O-CB 3.28Å; P30-M33 PolarHBondContact O-N 3.32Å; E31-M33 PolarHBondContact O-N 3.28Å; M33-M35 VanDerWaalsContact C-N 3.25Å; M33-M35 PolarHBondContact O-N 3.43Å; M33-S36 PolarHBondContact O-OG 3.48Å; M33-S36 VanDerWaalsContact O-OG 3.12Å; M33-E127 HydrophobicContact CE-CB 4.22Å; M33-E127 HydrophobicContact CE-CG 3.59Å; M33-L130 HydrophobicContact CE-CD1 3.55Å; M33-L130 HydrophobicContact CG-CD1 4.04Å; M33-L130 HydrophobicContact SD-CD1 4.3Å
34F65.9Low68.5Low25 Ų2559.8 Ų59.811%0.1130%0.303CS..Hα-helixtrans-76.5-14.3179.1-71.4-78.6000112.8P30 E31 L100 P101 I102 L126 E127 L130P30-F34 WeakPolarHBondContact O-CD2 3.44Å; E31-F34 PolarHBondContact O-N 2.83Å; E31-F34 VanDerWaalsContact O-N 3.07Å; F34-L100 HydrophobicContact CB-CD2 3.77Å; F34-P101 HydrophobicContact CD1-CG 4.07Å; F34-I102 HydrophobicContact CD2-CB 4.28Å; F34-I102 HydrophobicContact CD2-CG2 4.24Å; F34-I102 HydrophobicContact CE2-CB 4.11Å; F34-I102 HydrophobicContact CE2-CD1 4.35Å; F34-L126 HydrophobicContact CE1-CD2 4.12Å; F34-L126 HydrophobicContact CE1-CG 3.77Å; F34-L126 HydrophobicContact CZ-CB 4.32Å; F34-L126 HydrophobicContact CZ-CD2 3.86Å; F34-L126 HydrophobicContact CZ-CG 3.83Å; F34-E127 HydrophobicContact CZ-CG 4.36Å; F34-L130 HydrophobicContact CD1-CD1 3.67Å; F34-L130 HydrophobicContact CD1-CD2 3.65Å; F34-L130 HydrophobicContact CD1-CG 3.86Å; F34-L130 HydrophobicContact CE1-CD1 3.45Å; F34-L130 VanDerWaalsContact CE1-CD1 3.45Å; F34-L130 HydrophobicContact CE1-CD2 3.96Å; F34-L130 HydrophobicContact CE1-CG 3.64Å; F34-L130 HydrophobicContact CG-CD1 4.33Å; F34-L130 HydrophobicContact CZ-CD1 3.98Å
35M60.7Low68.8Low36 Ų3652 Ų5218%0.17727%0.269CS..Hα-helixtrans-89.9-21.6-179.9-169.3175.1-71.100113.2E31 T32 M33 D37 A54 Y57 E58 I96E31-M35 PolarHBondContact O-N 2.98Å; T32-M35 PolarHBondContact O-N 2.87Å; M33-M35 VanDerWaalsContact C-N 3.25Å; M33-M35 PolarHBondContact O-N 3.43Å; M35-D37 PolarHBondContact O-N 2.75Å; M35-A54 HydrophobicContact CB-CB 3.86Å; M35-A54 HydrophobicContact CG-CB 4.12Å; M35-A54 HydrophobicContact SD-CB 3.95Å; M35-Y57 HydrophobicContact CE-CD1 3.68Å; M35-Y57 HydrophobicContact CE-CE1 4.22Å; M35-Y57 HydrophobicContact CE-CG 4.47Å; M35-Y57 HydrophobicContact SD-CD1 4.35Å; M35-E58 HydrophobicContact CE-CG 3.99Å; M35-E58 WeakPolarHBondContact CE-OE1 3.4Å; M35-I96 HydrophobicContact CE-CG2 4.13Å; M35-I96 HydrophobicContact CG-CG2 4.26Å; M35-I96 HydrophobicContact SD-CG2 3.33Å; M35-I96 WeakPolarHBondContact SD-CG2 3.34Å
36S61.1Low69Low13 Ų1345.3 Ų45.39%0.09125%0.245CC..  trans-8274.9-178.262.30000112.4M33M33-S36 PolarHBondContact O-OG 3.48Å; M33-S36 VanDerWaalsContact O-OG 3.12Å
37D58.2Low69.3Low94 Ų9442.7 Ų42.750%0.50324%0.235SC..  trans-92.7128.1169.7-159.617.1000110.4R12 M35R12-D37 IonicContact NH2-OD1 3.59Å; M35-D37 PolarHBondContact O-N 2.75Å
38V56.4Low69.7Low21 Ų2133.8 Ų33.813%0.12720%0.197CC..  trans-114.3122.4-161.6-1710000112L15 I19 L43 V46L15-V38 HydrophobicContact CD2-CB 3.77Å; L15-V38 HydrophobicContact CD2-CG1 3.53Å; L15-V38 HydrophobicContact CD2-CG2 3.72Å; I19-V38 HydrophobicContact CD1-CG2 4.17Å; V38-L43 HydrophobicContact CG1-CD2 4.02Å; V38-V46 HydrophobicContact CB-CG1 4.48Å; V38-V46 HydrophobicContact CG1-CB 3.67Å; V38-V46 HydrophobicContact CG1-CG1 3.54Å
39A46.7Very low70.2Confident71 Ų7133.2 Ų33.259%0.58719%0.193SC*.  trans-105.9-178.6168.700000112.5
40K49.2Very low70.8Confident62 Ų6232.7 Ų32.727%0.2719%0.189SC..SBendtrans-78.8155.5-151.5-160.7161.1-167164.80118.8G3 Y4 I7G3-K40 WeakPolarHBondContact O-CE 3.25Å; G3-K40 PolarHBondContact O-NZ 3.1Å; Y4-K40 PolarHBondContact O-NZ 3.08Å; I7-K40 HydrophobicContact CD1-CB 3.52Å; I7-K40 HydrophobicContact CD1-CD 3.75Å; I7-K40 HydrophobicContact CD1-CG 3.51Å; I7-K40 HydrophobicContact CG1-CD 3.97Å; I7-K40 HydrophobicContact CG1-CG 3.96Å
41S51.1Low71.3Confident92 Ų9231.5 Ų31.564%0.64318%0.182SC*.SBendtrans70.1121.1-178.842.80000116.9V46S41-V46 WeakPolarHBondContact O-CG2 3.44Å
42D65.1Low72.1Confident90 Ų9031.5 Ų31.548%0.48118%0.181SC..SBendtrans51.763.8-157.4-65.8-22.9000112.8Q44 L45 V46 Y76D42-Q44 CarbonylContact O-C 3.55Å; D42-Q44 PolarHBondContact O-N 3.26Å; D42-L45 HydrophobicContact CB-CB 3.49Å; D42-L45 VanDerWaalsContact CB-CB 3.49Å; D42-L45 HydrophobicContact CB-CD2 4.22Å; D42-L45 HydrophobicContact CB-CG 4.48Å; D42-L45 CarbonylContact O-C 3.57Å; D42-L45 WeakPolarHBondContact O-CA 3.42Å; D42-L45 WeakPolarHBondContact O-CB 3.36Å; D42-L45 PolarHBondContact O-N 3.08Å; D42-V46 PolarHBondContact O-N 3.44Å; D42-Y76 HydrophobicContact CB-CE1 4.13Å
43L76.2Confident73Confident35 Ų3532.3 Ų32.318%0.18319%0.185CC..Hα-helixtrans-47-38.8179-81174.1000112.7I7 M11 L15 V38 G47I7-L43 HydrophobicContact CD1-CD2 4.07Å; M11-L43 HydrophobicContact CB-CD1 4.11Å; M11-L43 HydrophobicContact CE-CD1 3.81Å; L15-L43 WeakPolarHBondContact CD1-O 3.39Å; L15-L43 HydrophobicContact CD2-CB 4.21Å; L15-L43 HydrophobicContact CD2-CD2 4.4Å; L15-L43 VanDerWaalsContact CD2-O 3.27Å; L15-L43 WeakPolarHBondContact CD2-O 3.49Å; V38-L43 HydrophobicContact CG1-CD2 4.02Å; L43-G47 PolarHBondContact O-N 3.03Å
44Q84.1Confident73.7Confident59 Ų5932 Ų3228%0.27618%0.184SC..Hα-helixtrans-67.7-47.4174.6-168-177.322.400111.7W18 D42 V46 G47 V48 Y76W18-Q44 HydrophobicContact CH2-CG 4.21Å; W18-Q44 HydrophobicContact CZ3-CG 4.35Å; D42-Q44 CarbonylContact O-C 3.55Å; D42-Q44 PolarHBondContact O-N 3.26Å; Q44-V46 PolarHBondContact O-N 2.73Å; Q44-G47 PolarHBondContact O-N 3.41Å; Q44-V48 HydrophobicContact CG-CG2 4.33Å; Q44-V48 WeakPolarHBondContact O-CB 3.42Å; Q44-V48 WeakPolarHBondContact O-CG2 3.33Å; Q44-V48 PolarHBondContact O-N 2.82Å; Q44-Y76 HydrophobicContact CB-CE2 4.06Å; Q44-Y76 HydrophobicContact CG-CE2 4.11Å
45L87Confident74.8Confident9 Ų930.8 Ų30.85%0.04718%0.178CC..Hα-helixtrans-58.3-48175.7-176.357.4000112D42 T49 Y76 A80 V81 M84D42-L45 HydrophobicContact CB-CB 3.49Å; D42-L45 VanDerWaalsContact CB-CB 3.49Å; D42-L45 HydrophobicContact CB-CD2 4.22Å; D42-L45 HydrophobicContact CB-CG 4.48Å; D42-L45 CarbonylContact O-C 3.57Å; D42-L45 WeakPolarHBondContact O-CA 3.42Å; D42-L45 WeakPolarHBondContact O-CB 3.36Å; D42-L45 PolarHBondContact O-N 3.08Å; L45-T49 WeakPolarHBondContact O-CB 3.13Å; L45-T49 PolarHBondContact O-N 3.27Å; L45-T49 PolarHBondContact O-OG1 3.5Å; L45-Y76 HydrophobicContact CB-CD1 4.07Å; L45-Y76 HydrophobicContact CB-CD2 4.3Å; L45-Y76 HydrophobicContact CB-CE1 3.72Å; L45-Y76 HydrophobicContact CB-CE2 3.96Å; L45-Y76 HydrophobicContact CB-CG 4.35Å; L45-Y76 HydrophobicContact CD1-CD1 3.96Å; L45-Y76 HydrophobicContact CD1-CD2 4.12Å; L45-Y76 HydrophobicContact CD1-CE1 4.49Å; L45-Y76 HydrophobicContact CD1-CG 3.76Å; L45-Y76 HydrophobicContact CD2-CD1 4.07Å; L45-Y76 HydrophobicContact CD2-CE1 4.21Å; L45-Y76 HydrophobicContact CG-CD1 4.25Å; L45-Y76 HydrophobicContact CG-CE1 4.35Å; L45-Y76 HydrophobicContact CG-CG 4.47Å; L45-A80 HydrophobicContact CD2-CB 4.36Å; L45-V81 HydrophobicContact CD1-CB 4.47Å; L45-V81 HydrophobicContact CD1-CG2 3.83Å; L45-M84 HydrophobicContact CD1-CB 4.42Å; L45-M84 HydrophobicContact CD2-CB 4.17Å; L45-M84 HydrophobicContact CD2-CE 3.82Å; L45-M84 HydrophobicContact CG-CB 4Å; L45-M84 HydrophobicContact CG-CE 4.09Å; L45-M84 HydrophobicContact CG-CG 4.04Å
46V86.3Confident76Confident13 Ų1333 Ų338%0.07919%0.187CC..Hα-helixtrans-62.7-46.8178.1-176.50000109.9V38 S41 D42 Q44 V48 T49 A50 M84 I88V38-V46 HydrophobicContact CB-CG1 4.48Å; V38-V46 HydrophobicContact CG1-CB 3.67Å; V38-V46 HydrophobicContact CG1-CG1 3.54Å; S41-V46 WeakPolarHBondContact O-CG2 3.44Å; D42-V46 PolarHBondContact O-N 3.44Å; Q44-V46 PolarHBondContact O-N 2.73Å; V46-V48 PolarHBondContact O-N 3.06Å; V46-T49 PolarHBondContact O-N 2.96Å; V46-A50 WeakPolarHBondContact O-CB 3.1Å; V46-A50 PolarHBondContact O-N 2.82Å; V46-M84 HydrophobicContact CB-SD 4.48Å; V46-M84 HydrophobicContact CG2-CE 3.73Å; V46-M84 HydrophobicContact CG2-SD 3.73Å; V46-I88 HydrophobicContact CG1-CD1 4.14Å
47G84.6Confident77.1Confident0 Ų038.1 Ų38.10%021%0.205CC..Hα-helixtrans-61.7-43.8-179.800000113.2L43 Q44 A50 L51L43-G47 PolarHBondContact O-N 3.03Å; Q44-G47 PolarHBondContact O-N 3.41Å; G47-A50 PolarHBondContact O-N 3.4Å; G47-L51 WeakPolarHBondContact O-CB 3.29Å; G47-L51 PolarHBondContact O-N 2.87Å
48V87.5Confident78.2Confident2 Ų236.7 Ų36.71%0.01220%0.195CC..Hα-helixtrans-70.1-41.6178177.30000112W18 Q44 V46 A50 L51 Y52 V68 T72W18-V48 HydrophobicContact CH2-CG2 3.13Å; W18-V48 HydrophobicContact CZ2-CG2 4.44Å; W18-V48 HydrophobicContact CZ3-CG2 3.21Å; Q44-V48 HydrophobicContact CG-CG2 4.33Å; Q44-V48 WeakPolarHBondContact O-CB 3.42Å; Q44-V48 WeakPolarHBondContact O-CG2 3.33Å; Q44-V48 PolarHBondContact O-N 2.82Å; V46-V48 PolarHBondContact O-N 3.06Å; V48-A50 VanDerWaalsContact C-N 3.31Å; V48-L51 PolarHBondContact O-N 3.4Å; V48-Y52 WeakPolarHBondContact O-CB 3.47Å; V48-Y52 PolarHBondContact O-N 2.76Å; V48-V68 HydrophobicContact CG1-CB 4.21Å; V48-V68 HydrophobicContact CG1-CG1 3.38Å; V48-V68 HydrophobicContact CG1-CG2 4.3Å; V48-T72 HydrophobicContact CB-CG2 4.26Å; V48-T72 HydrophobicContact CG1-CG2 4.06Å; V48-T72 HydrophobicContact CG2-CG2 3.68Å
49T88.9Confident79.4Confident0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-67.9-36.3178.4-52.50000110.8L45 V46 Y52 L53 V81 M84 E85 I88L45-T49 WeakPolarHBondContact O-CB 3.13Å; L45-T49 PolarHBondContact O-N 3.27Å; L45-T49 PolarHBondContact O-OG1 3.5Å; V46-T49 PolarHBondContact O-N 2.96Å; T49-Y52 PolarHBondContact O-N 3.3Å; T49-L53 WeakPolarHBondContact O-CB 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.32Å; T49-L53 PolarHBondContact O-N 3.26Å; T49-V81 HydrophobicContact CG2-CG1 4.27Å; T49-M84 HydrophobicContact CG2-CB 4.01Å; T49-M84 HydrophobicContact CG2-CG 3.9Å; T49-E85 HydrophobicContact CG2-CB 3.82Å; T49-I88 HydrophobicContact CG2-CD1 3.94Å
50A87.6Confident80.9Confident11 Ų1139.8 Ų39.89%0.09121%0.206CC..Hα-helixtrans-64.3-42.5172.300000111.5V46 G47 V48 L53 A54 I88V46-A50 WeakPolarHBondContact O-CB 3.1Å; V46-A50 PolarHBondContact O-N 2.82Å; G47-A50 PolarHBondContact O-N 3.4Å; V48-A50 VanDerWaalsContact C-N 3.31Å; A50-L53 PolarHBondContact O-N 2.96Å; A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.49Å; A50-A54 PolarHBondContact O-N 3.16Å; A50-I88 HydrophobicContact CB-CD1 4.46Å
51L86.2Confident82.3Confident1 Ų145.6 Ų45.61%0.00523%0.231CC..Hα-helixtrans-63.9-42.2174.7-173.569000111.9I19 V22 L28 T32 G47 V48 A54 S55 M63I19-L51 HydrophobicContact CG2-CD1 4.04Å; I19-L51 HydrophobicContact CG2-CD2 4.41Å; V22-L51 HydrophobicContact CB-CD2 3.99Å; V22-L51 HydrophobicContact CG1-CD2 3.49Å; V22-L51 VanDerWaalsContact CG1-CD2 3.49Å; L28-L51 HydrophobicContact CD1-CD1 3.93Å; L28-L51 HydrophobicContact CD1-CD2 4.18Å; L28-L51 HydrophobicContact CD1-CG 4.03Å; T32-L51 HydrophobicContact CG2-CD1 3.83Å; G47-L51 WeakPolarHBondContact O-CB 3.29Å; G47-L51 PolarHBondContact O-N 2.87Å; V48-L51 PolarHBondContact O-N 3.4Å; L51-A54 PolarHBondContact O-N 3.33Å; L51-S55 WeakPolarHBondContact O-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.02Å; L51-M63 HydrophobicContact CD2-SD 4.1Å; L51-M63 HydrophobicContact CG-SD 4.17Å
52Y89.7Confident83.8Confident19 Ų1944.3 Ų44.38%0.07522%0.22CC..Hα-helixtrans-59.7-48.9174.6173.9-118.2000111.7V48 T49 S55 K56 M63 L65 V68 V81V48-Y52 WeakPolarHBondContact O-CB 3.47Å; V48-Y52 PolarHBondContact O-N 2.76Å; T49-Y52 PolarHBondContact O-N 3.3Å; Y52-S55 PolarHBondContact O-N 2.86Å; Y52-S55 PolarHBondContact O-OG 3.31Å; Y52-K56 HydrophobicContact CE1-CD 4.4Å; Y52-K56 PolarHBondContact O-N 2.9Å; Y52-K56 VanDerWaalsContact O-N 3.08Å; Y52-K56 WeakPolarHBondContact OH-CE 3.27Å; Y52-K56 PolarHBondContact OH-NZ 3.22Å; Y52-M63 HydrophobicContact CD2-CB 4.3Å; Y52-M63 WeakPolarHBondContact CD2-O 3.35Å; Y52-M63 WeakPolarHBondContact CE2-O 3.35Å; Y52-L65 HydrophobicContact CE1-CD1 4.2Å; Y52-V68 HydrophobicContact CD2-CG2 3.61Å; Y52-V68 HydrophobicContact CE2-CG2 4.39Å; Y52-V68 HydrophobicContact CG-CG2 3.91Å; Y52-V81 HydrophobicContact CD1-CG1 4.39Å
53L88.9Confident84.8Confident17 Ų1740.2 Ų40.29%0.08920%0.198CC..Hα-helixtrans-59.9-44.2174.8-86.5171.7000112.4T49 A50 S55 K56 Y57 E85 I88 L89T49-L53 WeakPolarHBondContact O-CB 3.28Å; T49-L53 WeakPolarHBondContact O-CG 3.32Å; T49-L53 PolarHBondContact O-N 3.26Å; A50-L53 PolarHBondContact O-N 2.96Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 3.13Å; L53-K56 WeakPolarHBondContact O-CB 3.5Å; L53-K56 PolarHBondContact O-N 2.79Å; L53-Y57 PolarHBondContact O-N 2.66Å; L53-E85 HydrophobicContact CD1-CG 4.1Å; L53-E85 HydrophobicContact CD2-CG 3.61Å; L53-E85 WeakPolarHBondContact CD2-OE1 3.15Å; L53-E85 HydrophobicContact CG-CG 3.89Å; L53-I88 HydrophobicContact CD1-CB 3.92Å; L53-I88 HydrophobicContact CD1-CD1 4.35Å; L53-I88 HydrophobicContact CD1-CG2 3.64Å; L53-L89 HydrophobicContact CD1-CD2 4.37Å; L53-L89 HydrophobicContact CD1-CG 4.27Å; L53-L89 HydrophobicContact CD2-CD1 4.12Å; L53-L89 HydrophobicContact CD2-CD2 3.96Å; L53-L89 HydrophobicContact CD2-CG 4.09Å
54A86.8Confident85.4Confident1 Ų142.3 Ų42.31%0.00821%0.209CC..Hα-helixtrans-63.4-40.3177.600000111.1T32 M35 A50 L51 K56 Y57 E58T32-A54 HydrophobicContact CG2-CB 3.55Å; T32-A54 WeakPolarHBondContact O-CB 3.36Å; M35-A54 HydrophobicContact CB-CB 3.86Å; M35-A54 HydrophobicContact CG-CB 4.12Å; M35-A54 HydrophobicContact SD-CB 3.95Å; A50-A54 VanDerWaalsContact O-CB 3.28Å; A50-A54 WeakPolarHBondContact O-CB 3.49Å; A50-A54 PolarHBondContact O-N 3.16Å; L51-A54 PolarHBondContact O-N 3.33Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.43Å; A54-Y57 PolarHBondContact O-N 2.79Å; A54-E58 PolarHBondContact O-N 3.26Å
55S87.6Confident85.7Confident0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-65.4-34.4177.876.70000111.9L51 Y52 L53 Y57 D59 M63L51-S55 WeakPolarHBondContact O-CB 3.36Å; L51-S55 PolarHBondContact O-N 3.02Å; Y52-S55 PolarHBondContact O-N 2.86Å; Y52-S55 PolarHBondContact O-OG 3.31Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 3.13Å; S55-Y57 PolarHBondContact O-N 3.3Å; S55-D59 WeakPolarHBondContact CA-OD2 3.17Å; S55-D59 VanDerWaalsContact O-CB 3.29Å; S55-D59 WeakPolarHBondContact O-CB 3.37Å; S55-D59 PolarHBondContact O-N 3.23Å; S55-D59 VanDerWaalsContact O-N 3.09Å; S55-M63 PolarHBondContact OG-N 2.91Å
56K87.6Confident85.9Confident84 Ų8443.5 Ų43.537%0.36522%0.218SC..Hα-helixtrans-62-30172.6-76178.8179.2-1800113Y52 L53 A54 V62 E85Y52-K56 HydrophobicContact CE1-CD 4.4Å; Y52-K56 PolarHBondContact O-N 2.9Å; Y52-K56 VanDerWaalsContact O-N 3.08Å; Y52-K56 WeakPolarHBondContact OH-CE 3.27Å; Y52-K56 PolarHBondContact OH-NZ 3.22Å; L53-K56 WeakPolarHBondContact O-CB 3.5Å; L53-K56 PolarHBondContact O-N 2.79Å; A54-K56 VanDerWaalsContact C-N 3.31Å; A54-K56 PolarHBondContact O-N 3.43Å; K56-V62 HydrophobicContact CB-CG1 4.23Å; K56-V62 HydrophobicContact CG-CG1 3.42Å; K56-V62 VanDerWaalsContact CG-CG1 3.42Å; K56-E85 IonicContact NZ-OE1 2.66Å; K56-E85 PolarHBondContact NZ-OE1 3.47Å; K56-E85 IonicContact NZ-OE2 2.66Å
57Y84.4Confident86Confident120 Ų12046.5 Ų46.547%0.47123%0.23SC..Hα-helixtrans-93.9-42.6-172.4-171.4-91.5000112.7M35 L53 A54 S55 C97M35-Y57 HydrophobicContact CE-CD1 3.68Å; M35-Y57 HydrophobicContact CE-CE1 4.22Å; M35-Y57 HydrophobicContact CE-CG 4.47Å; M35-Y57 HydrophobicContact SD-CD1 4.35Å; L53-Y57 PolarHBondContact O-N 2.66Å; A54-Y57 PolarHBondContact O-N 2.79Å; S55-Y57 PolarHBondContact O-N 3.3Å; Y57-C97 PolarHBondContact OH-SG 2.88Å
58E80.8Confident86.2Confident63 Ų6346.5 Ų46.529%0.29423%0.23SC..Hα-helixtrans-100.7-29.7-173.5-66.7-67.6160.100113.7E31 M35 A54E31-E58 HydrophobicContact CB-CB 4.12Å; E31-E58 HydrophobicContact CB-CG 3.73Å; E31-E58 WeakPolarHBondContact CB-OE2 3.5Å; M35-E58 HydrophobicContact CE-CG 3.99Å; M35-E58 WeakPolarHBondContact CE-OE1 3.4Å; A54-E58 PolarHBondContact O-N 3.26Å
59D80.4Confident86.3Confident26 Ų2647.3 Ų47.314%0.13924%0.235CC..  trans-93.3141.1-171.7-73.2-63.7000113.1A29 T32 S55 F61A29-D59 WeakPolarHBondContact CA-OD1 3.33Å; A29-D59 WeakPolarHBondContact CB-OD1 3.43Å; A29-D59 PolarHBondContact N-OD1 3.02Å; T32-D59 PolarHBondContact OG1-OD2 3.35Å; S55-D59 WeakPolarHBondContact CA-OD2 3.17Å; S55-D59 VanDerWaalsContact O-CB 3.29Å; S55-D59 WeakPolarHBondContact O-CB 3.37Å; S55-D59 PolarHBondContact O-N 3.23Å; S55-D59 VanDerWaalsContact O-N 3.09Å; D59-F61 VanDerWaalsContact C-N 3.3Å
60V78.7Confident86.4Confident132 Ų13252.4 Ų52.480%0.826%0.255SS*.SBendtrans-67-37169.7-179.60000110.5
61F79Confident86.4Confident183 Ų18352.6 Ų52.680%0.80326%0.255SS*.SBendtrans-11096.5178-61.6-72.2000109.5D59D59-F61 VanDerWaalsContact C-N 3.3Å
62V82Confident86.3Confident66 Ų6652.6 Ų52.640%0.426%0.255SS..PPolyproline II helixtrans-68.4142.1-179.6-175.90000110.4K56 D64K56-V62 HydrophobicContact CB-CG1 4.23Å; K56-V62 HydrophobicContact CG-CG1 3.42Å; K56-V62 VanDerWaalsContact CG-CG1 3.42Å; V62-D64 PolarHBondContact O-N 3.15Å
63M86Confident86.3Confident4 Ų458.2 Ų58.22%0.0229%0.286CS..PPolyproline II helixtrans-61.1129.5169.2-69.3-179.866.100110V22 Y26 L28 L51 Y52 S55 V68V22-M63 HydrophobicContact CG1-CE 4.3Å; Y26-M63 HydrophobicContact CD2-CE 4.35Å; L28-M63 HydrophobicContact CD1-CG 4.24Å; L28-M63 HydrophobicContact CD1-SD 3.69Å; L28-M63 HydrophobicContact CD2-CG 3.92Å; L28-M63 HydrophobicContact CD2-SD 4.47Å; L51-M63 HydrophobicContact CD2-SD 4.1Å; L51-M63 HydrophobicContact CG-SD 4.17Å; Y52-M63 HydrophobicContact CD2-CB 4.3Å; Y52-M63 WeakPolarHBondContact CD2-O 3.35Å; Y52-M63 WeakPolarHBondContact CE2-O 3.35Å; S55-M63 PolarHBondContact OG-N 2.91Å; M63-V68 HydrophobicContact CB-CG2 4.4Å; M63-V68 HydrophobicContact CE-CG2 3.94Å
64D89.5Confident86.3Confident79 Ų7965.2 Ų65.242%0.42231%0.312SS..PPolyproline II helixtrans-72.3150.4171.9-175.222.7000110.3V62 N66 Q67 V68V62-D64 PolarHBondContact O-N 3.15Å; D64-N66 PolarHBondContact O-N 3.42Å; D64-N66 WeakPolarHBondContact OD2-CB 3.45Å; D64-N66 PolarHBondContact OD2-ND2 3.47Å; D64-Q67 HydrophobicContact CB-CG 4.15Å; D64-Q67 WeakPolarHBondContact O-CA 3.49Å; D64-Q67 VanDerWaalsContact O-CB 3.3Å; D64-Q67 WeakPolarHBondContact O-CB 3.45Å; D64-Q67 PolarHBondContact O-N 3.27Å; D64-V68 PolarHBondContact O-N 2.96Å
65L90.6Very high86.3Confident15 Ų1569.3 Ų69.38%0.07934%0.337CS..Hα-helixtrans-60.7-29.9177.9-167.455.3000111.7Y52 V68 I69 R78 V81 L82Y52-L65 HydrophobicContact CE1-CD1 4.2Å; L65-V68 HydrophobicContact CD1-CG1 4.47Å; L65-V68 WeakPolarHBondContact O-CB 3.36Å; L65-V68 PolarHBondContact O-N 3.42Å; L65-I69 WeakPolarHBondContact O-CD1 3.28Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.18Å; L65-I69 VanDerWaalsContact O-N 3.08Å; L65-R78 HydrophobicContact CD2-CG 3.21Å; L65-R78 HydrophobicContact CG-CG 3.78Å; L65-V81 HydrophobicContact CD1-CB 3.9Å; L65-V81 HydrophobicContact CD1-CG1 3.51Å; L65-L82 HydrophobicContact CD2-CD1 4.14Å; L65-L82 HydrophobicContact CD2-CD2 3.98Å; L65-L82 HydrophobicContact CD2-CG 3.97Å
66N90.5Very high86.4Confident78 Ų7870.6 Ų70.642%0.41734%0.342SS..Hα-helixtrans-66.7-36171.4-61.9-47.9000112.5D64 I69 Y70 R78D64-N66 PolarHBondContact O-N 3.42Å; D64-N66 WeakPolarHBondContact OD2-CB 3.45Å; D64-N66 PolarHBondContact OD2-ND2 3.47Å; N66-I69 PolarHBondContact O-N 3.21Å; N66-Y70 VanDerWaalsContact O-CB 3.3Å; N66-Y70 WeakPolarHBondContact O-CB 3.5Å; N66-Y70 PolarHBondContact O-N 3.08Å; N66-R78 PolarHBondContact OD1-NH2 3.19Å
67Q89.2Confident86.6Confident75 Ų7570.5 Ų70.535%0.3535%0.349SS..Hα-helixtrans-68.2-40.2176-65174.3-27.700110.7Y26 D64 Y70 V71Y26-Q67 HydrophobicContact CE1-CB 3.97Å; Y26-Q67 HydrophobicContact CE1-CG 4.12Å; D64-Q67 HydrophobicContact CB-CG 4.15Å; D64-Q67 WeakPolarHBondContact O-CA 3.49Å; D64-Q67 VanDerWaalsContact O-CB 3.3Å; D64-Q67 WeakPolarHBondContact O-CB 3.45Å; D64-Q67 PolarHBondContact O-N 3.27Å; Q67-Y70 PolarHBondContact O-N 3.09Å; Q67-V71 WeakPolarHBondContact O-CB 3.29Å; Q67-V71 VanDerWaalsContact O-CG2 3.28Å; Q67-V71 WeakPolarHBondContact O-CG2 3.5Å; Q67-V71 PolarHBondContact O-N 3.41Å
68V88.1Confident87Confident0 Ų070.2 Ų70.20%035%0.347CS..Hα-helixtrans-56.7-50.4173.11610000111.4V48 Y52 M63 D64 L65 Y70 V71 T72 V81V48-V68 HydrophobicContact CG1-CB 4.21Å; V48-V68 HydrophobicContact CG1-CG1 3.38Å; V48-V68 HydrophobicContact CG1-CG2 4.3Å; Y52-V68 HydrophobicContact CD2-CG2 3.61Å; Y52-V68 HydrophobicContact CE2-CG2 4.39Å; Y52-V68 HydrophobicContact CG-CG2 3.91Å; M63-V68 HydrophobicContact CB-CG2 4.4Å; M63-V68 HydrophobicContact CE-CG2 3.94Å; D64-V68 PolarHBondContact O-N 2.96Å; L65-V68 HydrophobicContact CD1-CG1 4.47Å; L65-V68 WeakPolarHBondContact O-CB 3.36Å; L65-V68 PolarHBondContact O-N 3.42Å; V68-Y70 VanDerWaalsContact C-N 3.34Å; V68-Y70 PolarHBondContact O-N 3.3Å; V68-V71 PolarHBondContact O-N 3.12Å; V68-T72 PolarHBondContact O-N 3.22Å; V68-T72 PolarHBondContact O-OG1 2.64Å; V68-V81 HydrophobicContact CG1-CG1 3.91Å; V68-V81 HydrophobicContact CG1-CG2 3.91Å
69I90.7Very high87.6Confident19 Ų1973.2 Ų73.210%0.09736%0.361CS..Hα-helixtrans-61.7-44.7178.7-65.8163.7000110.6L65 N66 V71 T72 Y74 R78L65-I69 WeakPolarHBondContact O-CD1 3.28Å; L65-I69 VanDerWaalsContact O-CG1 3.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.18Å; L65-I69 VanDerWaalsContact O-N 3.08Å; N66-I69 PolarHBondContact O-N 3.21Å; I69-V71 PolarHBondContact O-N 2.91Å; I69-T72 PolarHBondContact O-N 3.3Å; I69-T72 VanDerWaalsContact O-N 3.16Å; I69-T72 PolarHBondContact O-OG1 2.7Å; I69-Y74 HydrophobicContact CG2-CD1 3.44Å; I69-Y74 VanDerWaalsContact CG2-CD1 3.44Å; I69-Y74 HydrophobicContact CG2-CE1 3.95Å; I69-Y74 HydrophobicContact CG2-CG 4.15Å; I69-Y74 PolarHBondContact O-N 2.95Å; I69-R78 HydrophobicContact CD1-CB 3.9Å; I69-R78 HydrophobicContact CD1-CG 4.39Å
70Y90.4Very high88.1Confident107 Ų10773.4 Ų73.442%0.4237%0.366SS..Hα-helixtrans-60.6-42.5178.5177.3-99.6000112.8N66 Q67 V68 T72 D73 Y74N66-Y70 VanDerWaalsContact O-CB 3.3Å; N66-Y70 WeakPolarHBondContact O-CB 3.5Å; N66-Y70 PolarHBondContact O-N 3.08Å; Q67-Y70 PolarHBondContact O-N 3.09Å; V68-Y70 VanDerWaalsContact C-N 3.34Å; V68-Y70 PolarHBondContact O-N 3.3Å; Y70-T72 PolarHBondContact O-N 3.05Å; Y70-D73 PolarHBondContact O-N 3.18Å; Y70-Y74 HydrophobicContact CD2-CE2 4.17Å
71V87Confident88.7Confident15 Ų1567.1 Ų67.19%0.09133%0.328CS..Hα-helixtrans-62.8-29.1177.4163.80000112.5W18 V22 Y26 Q67 V68 I69 D73W18-V71 HydrophobicContact CH2-CG1 3.52Å; W18-V71 HydrophobicContact CZ2-CG1 3.48Å; W18-V71 VanDerWaalsContact CZ2-CG1 3.48Å; V22-V71 HydrophobicContact CB-CG1 4.39Å; V22-V71 HydrophobicContact CG1-CG1 3.85Å; V22-V71 HydrophobicContact CG1-CG2 4.29Å; V22-V71 HydrophobicContact CG2-CG1 3.53Å; Y26-V71 HydrophobicContact CD2-CG2 4.31Å; Y26-V71 HydrophobicContact CE2-CG2 3.22Å; Y26-V71 WeakPolarHBondContact OH-CG2 3.42Å; Q67-V71 WeakPolarHBondContact O-CB 3.29Å; Q67-V71 VanDerWaalsContact O-CG2 3.28Å; Q67-V71 WeakPolarHBondContact O-CG2 3.5Å; Q67-V71 PolarHBondContact O-N 3.41Å; V68-V71 PolarHBondContact O-N 3.12Å; I69-V71 PolarHBondContact O-N 2.91Å; V71-D73 VanDerWaalsContact C-N 3.26Å; V71-D73 PolarHBondContact O-N 3.33Å
72T85.4Confident89.4Confident1 Ų161.2 Ų61.21%0.00631%0.305CS..THydrogen-bonded Turntrans-87.913.5176.961.30000113.4W18 V48 V68 I69 Y70 Y74 T75 Y76W18-T72 HydrophobicContact CH2-CG2 4.44Å; V48-T72 HydrophobicContact CB-CG2 4.26Å; V48-T72 HydrophobicContact CG1-CG2 4.06Å; V48-T72 HydrophobicContact CG2-CG2 3.68Å; V68-T72 PolarHBondContact O-N 3.22Å; V68-T72 PolarHBondContact O-OG1 2.64Å; I69-T72 PolarHBondContact O-N 3.3Å; I69-T72 VanDerWaalsContact O-N 3.16Å; I69-T72 PolarHBondContact O-OG1 2.7Å; Y70-T72 PolarHBondContact O-N 3.05Å; T72-Y74 PolarHBondContact O-N 3.4Å; T72-Y74 VanDerWaalsContact O-N 3.16Å; T72-T75 WeakPolarHBondContact O-CB 3.3Å; T72-T75 PolarHBondContact O-N 3.38Å; T72-T75 PolarHBondContact O-OG1 2.88Å; T72-Y76 HydrophobicContact CG2-CD2 3.92Å; T72-Y76 HydrophobicContact CG2-CE2 4.37Å
73D88.9Confident89.9Confident137 Ų13763.8 Ų63.873%0.73331%0.311SS*.THydrogen-bonded Turntrans49.739-174-68.8-33.5000112.5Y70 V71 T75Y70-D73 PolarHBondContact O-N 3.18Å; V71-D73 VanDerWaalsContact C-N 3.26Å; V71-D73 PolarHBondContact O-N 3.33Å; D73-T75 PolarHBondContact O-N 3.03Å; D73-T75 VanDerWaalsContact O-N 3.13Å
74Y87.9Confident90.1Very high164 Ų16464.7 Ų64.764%0.64332%0.315SS*.THydrogen-bonded Turntrans59.219.7-177.8-55.3-92.6000115I69 Y70 T72 Y76I69-Y74 HydrophobicContact CG2-CD1 3.44Å; I69-Y74 VanDerWaalsContact CG2-CD1 3.44Å; I69-Y74 HydrophobicContact CG2-CE1 3.95Å; I69-Y74 HydrophobicContact CG2-CG 4.15Å; I69-Y74 PolarHBondContact O-N 2.95Å; Y70-Y74 HydrophobicContact CD2-CE2 4.17Å; T72-Y74 PolarHBondContact O-N 3.4Å; T72-Y74 VanDerWaalsContact O-N 3.16Å; Y74-Y76 PolarHBondContact O-N 2.89Å
75T88.6Confident90.2Very high87 Ų8762.1 Ų62.153%0.53430%0.3SS..  trans-60.7-30.8176-56.50000111.9T72 D73T72-T75 WeakPolarHBondContact O-CB 3.3Å; T72-T75 PolarHBondContact O-N 3.38Å; T72-T75 PolarHBondContact O-OG1 2.88Å; D73-T75 PolarHBondContact O-N 3.03Å; D73-T75 VanDerWaalsContact O-N 3.13Å
76Y89.1Confident90.3Very high27 Ų2768.5 Ų68.511%0.10632%0.324CS..SBendtrans-119.5141.7-177.5-57.3-70.2000112.1D42 Q44 L45 T72 Y74D42-Y76 HydrophobicContact CB-CE1 4.13Å; Q44-Y76 HydrophobicContact CB-CE2 4.06Å; Q44-Y76 HydrophobicContact CG-CE2 4.11Å; L45-Y76 HydrophobicContact CB-CD1 4.07Å; L45-Y76 HydrophobicContact CB-CD2 4.3Å; L45-Y76 HydrophobicContact CB-CE1 3.72Å; L45-Y76 HydrophobicContact CB-CE2 3.96Å; L45-Y76 HydrophobicContact CB-CG 4.35Å; L45-Y76 HydrophobicContact CD1-CD1 3.96Å; L45-Y76 HydrophobicContact CD1-CD2 4.12Å; L45-Y76 HydrophobicContact CD1-CE1 4.49Å; L45-Y76 HydrophobicContact CD1-CG 3.76Å; L45-Y76 HydrophobicContact CD2-CD1 4.07Å; L45-Y76 HydrophobicContact CD2-CE1 4.21Å; L45-Y76 HydrophobicContact CG-CD1 4.25Å; L45-Y76 HydrophobicContact CG-CE1 4.35Å; L45-Y76 HydrophobicContact CG-CG 4.47Å; T72-Y76 HydrophobicContact CG2-CD2 3.92Å; T72-Y76 HydrophobicContact CG2-CE2 4.37Å; Y74-Y76 PolarHBondContact O-N 2.89Å
77T91.4Very high90.3Very high82 Ų8269 Ų6950%0.50332%0.323SS..  trans-79.5162.5173.776.80000111.3E79 A80 V81T77-E79 VanDerWaalsContact CB-OE2 3.28Å; T77-E79 WeakPolarHBondContact CB-OE2 3.43Å; T77-E79 PolarHBondContact O-N 3.33Å; T77-E79 PolarHBondContact OG1-OE2 3.2Å; T77-A80 WeakPolarHBondContact O-CB 3.47Å; T77-A80 PolarHBondContact O-N 3.44Å; T77-A80 VanDerWaalsContact O-N 3.13Å; T77-A80 PolarHBondContact OG1-N 3.46Å; T77-V81 PolarHBondContact O-N 3.24Å
78R92.8Very high90.2Very high114 Ų11466.4 Ų66.443%0.4331%0.312SS..Hα-helixtrans-55.4-41.3175.6-168.9176.9-77154.4-2.1111.9L65 N66 I69 A80 V81 L82L65-R78 HydrophobicContact CD2-CG 3.21Å; L65-R78 HydrophobicContact CG-CG 3.78Å; N66-R78 PolarHBondContact OD1-NH2 3.19Å; I69-R78 HydrophobicContact CD1-CB 3.9Å; I69-R78 HydrophobicContact CD1-CG 4.39Å; R78-A80 VanDerWaalsContact C-N 3.34Å; R78-V81 PolarHBondContact O-N 2.8Å; R78-L82 HydrophobicContact CG-CD1 4.33Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 3.05Å; R78-L82 VanDerWaalsContact O-N 3.08Å
79E92.9Very high90.3Very high126 Ų12667.6 Ų67.659%0.58932%0.318SS*.Hα-helixtrans-67.5-36-179.1-59.668.7-145.500111.3T77 K83T77-E79 VanDerWaalsContact CB-OE2 3.28Å; T77-E79 WeakPolarHBondContact CB-OE2 3.43Å; T77-E79 PolarHBondContact O-N 3.33Å; T77-E79 PolarHBondContact OG1-OE2 3.2Å; E79-K83 VanDerWaalsContact O-CB 3.24Å; E79-K83 WeakPolarHBondContact O-CB 3.14Å; E79-K83 PolarHBondContact O-N 3.2Å
80A91.2Very high90.3Very high30 Ų3072 Ų7225%0.24834%0.341CS..Hα-helixtrans-64.3-45.3176.600000111.4L45 T77 R78 K83 M84L45-A80 HydrophobicContact CD2-CB 4.36Å; T77-A80 WeakPolarHBondContact O-CB 3.47Å; T77-A80 PolarHBondContact O-N 3.44Å; T77-A80 VanDerWaalsContact O-N 3.13Å; T77-A80 PolarHBondContact OG1-N 3.46Å; R78-A80 VanDerWaalsContact C-N 3.34Å; A80-K83 PolarHBondContact O-N 3.34Å; A80-M84 WeakPolarHBondContact O-CB 3.46Å; A80-M84 PolarHBondContact O-N 3.28Å
81V91.7Very high90.1Very high1 Ų172.4 Ų72.41%0.00636%0.356CS..Hα-helixtrans-63.8-45.3177.3179.60000111.2L45 T49 Y52 L65 V68 T77 R78 K83 M84 E85L45-V81 HydrophobicContact CD1-CB 4.47Å; L45-V81 HydrophobicContact CD1-CG2 3.83Å; T49-V81 HydrophobicContact CG2-CG1 4.27Å; Y52-V81 HydrophobicContact CD1-CG1 4.39Å; L65-V81 HydrophobicContact CD1-CB 3.9Å; L65-V81 HydrophobicContact CD1-CG1 3.51Å; V68-V81 HydrophobicContact CG1-CG1 3.91Å; V68-V81 HydrophobicContact CG1-CG2 3.91Å; T77-V81 PolarHBondContact O-N 3.24Å; R78-V81 PolarHBondContact O-N 2.8Å; V81-K83 VanDerWaalsContact C-N 3.34Å; V81-K83 PolarHBondContact O-N 2.97Å; V81-M84 PolarHBondContact O-N 3.34Å; V81-E85 WeakPolarHBondContact O-CB 3.28Å; V81-E85 PolarHBondContact O-N 3.41Å
82L93.3Very high90.1Very high59 Ų5974.6 Ų74.631%0.30937%0.366SS..Hα-helixtrans-67.4-32.9177.9-69174.8000113L65 R78 E85 R86L65-L82 HydrophobicContact CD2-CD1 4.14Å; L65-L82 HydrophobicContact CD2-CD2 3.98Å; L65-L82 HydrophobicContact CD2-CG 3.97Å; R78-L82 HydrophobicContact CG-CD1 4.33Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 3.05Å; R78-L82 VanDerWaalsContact O-N 3.08Å; L82-E85 WeakPolarHBondContact CD2-OE2 3.03Å; L82-R86 PolarHBondContact O-N 2.89Å; L82-R86 PolarHBondContact O-NE 2.97Å
83K93Very high90.2Very high120 Ų12076.8 Ų76.852%0.52239%0.389SS..Hα-helixtrans-65.6-48.6172.4-177.4179.7172.1-173.90110.3E79 A80 V81 E85 R86 E87E79-K83 VanDerWaalsContact O-CB 3.24Å; E79-K83 WeakPolarHBondContact O-CB 3.14Å; E79-K83 PolarHBondContact O-N 3.2Å; A80-K83 PolarHBondContact O-N 3.34Å; V81-K83 VanDerWaalsContact C-N 3.34Å; V81-K83 PolarHBondContact O-N 2.97Å; K83-E85 VanDerWaalsContact C-N 3.27Å; K83-E85 PolarHBondContact O-N 3.07Å; K83-R86 PolarHBondContact O-N 2.99Å; K83-E87 WeakPolarHBondContact CE-OE1 3.47Å; K83-E87 WeakPolarHBondContact O-CG 3.44Å; K83-E87 PolarHBondContact O-N 3.09Å; K83-E87 VanDerWaalsContact O-N 3.07Å
84M90.8Very high90Very high23 Ų2376.7 Ų76.711%0.11338%0.383CS..Hα-helixtrans-60.2-38.1176.8-175.857.266.700111.7L45 V46 T49 A80 V81 R86 E87 I88L45-M84 HydrophobicContact CD1-CB 4.42Å; L45-M84 HydrophobicContact CD2-CB 4.17Å; L45-M84 HydrophobicContact CD2-CE 3.82Å; L45-M84 HydrophobicContact CG-CB 4Å; L45-M84 HydrophobicContact CG-CE 4.09Å; L45-M84 HydrophobicContact CG-CG 4.04Å; V46-M84 HydrophobicContact CB-SD 4.48Å; V46-M84 HydrophobicContact CG2-CE 3.73Å; V46-M84 HydrophobicContact CG2-SD 3.73Å; T49-M84 HydrophobicContact CG2-CB 4.01Å; T49-M84 HydrophobicContact CG2-CG 3.9Å; A80-M84 WeakPolarHBondContact O-CB 3.46Å; A80-M84 PolarHBondContact O-N 3.28Å; V81-M84 PolarHBondContact O-N 3.34Å; M84-R86 VanDerWaalsContact C-N 3.33Å; M84-R86 PolarHBondContact O-N 2.7Å; M84-E87 PolarHBondContact O-N 3.04Å; M84-I88 HydrophobicContact CG-CD1 3.83Å; M84-I88 HydrophobicContact CG-CG1 4.26Å; M84-I88 WeakPolarHBondContact O-CG1 3.3Å; M84-I88 PolarHBondContact O-N 3.49Å; M84-I88 HydrophobicContact SD-CD1 4.21Å; M84-I88 HydrophobicContact SD-CG1 4.09Å
85E91.5Very high89.8Confident24 Ų2478.3 Ų78.311%0.11239%0.388CS..Hα-helixtrans-58.2-48.1178.2-178.4177.8-150.500110.7T49 L53 K56 V81 L82 K83 E87 I88 L89T49-E85 HydrophobicContact CG2-CB 3.82Å; L53-E85 HydrophobicContact CD1-CG 4.1Å; L53-E85 HydrophobicContact CD2-CG 3.61Å; L53-E85 WeakPolarHBondContact CD2-OE1 3.15Å; L53-E85 HydrophobicContact CG-CG 3.89Å; K56-E85 IonicContact NZ-OE1 2.66Å; K56-E85 PolarHBondContact NZ-OE1 3.47Å; K56-E85 IonicContact NZ-OE2 2.66Å; V81-E85 WeakPolarHBondContact O-CB 3.28Å; V81-E85 PolarHBondContact O-N 3.41Å; L82-E85 WeakPolarHBondContact CD2-OE2 3.03Å; K83-E85 VanDerWaalsContact C-N 3.27Å; K83-E85 PolarHBondContact O-N 3.07Å; E85-E87 PolarHBondContact O-N 3.45Å; E85-I88 PolarHBondContact O-N 3.33Å; E85-L89 HydrophobicContact CG-CD1 4.11Å; E85-L89 WeakPolarHBondContact O-CB 3.34Å; E85-L89 VanDerWaalsContact O-CG 3.27Å; E85-L89 WeakPolarHBondContact O-CG 3.45Å; E85-L89 PolarHBondContact O-N 2.97Å
86R92Very high89.4Confident150 Ų15075.9 Ų75.957%0.56637%0.371SS*.Hα-helixtrans-63.9-40.4177.1-70.3-178.5-69.2-137.6-1.5112.1L82 K83 M84 L89 N90L82-R86 PolarHBondContact O-N 2.89Å; L82-R86 PolarHBondContact O-NE 2.97Å; K83-R86 PolarHBondContact O-N 2.99Å; M84-R86 VanDerWaalsContact C-N 3.33Å; M84-R86 PolarHBondContact O-N 2.7Å; R86-L89 PolarHBondContact O-N 2.85Å; R86-N90 VanDerWaalsContact O-CB 3.25Å; R86-N90 WeakPolarHBondContact O-CB 3.36Å; R86-N90 PolarHBondContact O-N 3.12Å; R86-N90 PolarHBondContact O-ND2 3.16Å; R86-N90 VanDerWaalsContact O-ND2 3.1Å
87E90.3Very high88.9Confident87 Ų8778.7 Ų78.741%0.40739%0.394SS..Hα-helixtrans-63.5-44.5177.4-71.6176.8-171.800111.6K83 M84 E85 N90 T91K83-E87 WeakPolarHBondContact CE-OE1 3.47Å; K83-E87 WeakPolarHBondContact O-CG 3.44Å; K83-E87 PolarHBondContact O-N 3.09Å; K83-E87 VanDerWaalsContact O-N 3.07Å; M84-E87 PolarHBondContact O-N 3.04Å; E85-E87 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact O-N 3.48Å; E87-T91 WeakPolarHBondContact O-CB 3.45Å; E87-T91 WeakPolarHBondContact O-CG2 3.41Å; E87-T91 PolarHBondContact O-N 3.46Å; E87-T91 PolarHBondContact O-OG1 3.01Å
88I88.4Confident88.3Confident21 Ų2182.5 Ų82.511%0.10840%0.399CS..Hα-helixtrans-62.3-46.7175.4-66.9170.9000110.9V46 T49 A50 L53 M84 E85 N90 T91 L92V46-I88 HydrophobicContact CG1-CD1 4.14Å; T49-I88 HydrophobicContact CG2-CD1 3.94Å; A50-I88 HydrophobicContact CB-CD1 4.46Å; L53-I88 HydrophobicContact CD1-CB 3.92Å; L53-I88 HydrophobicContact CD1-CD1 4.35Å; L53-I88 HydrophobicContact CD1-CG2 3.64Å; M84-I88 HydrophobicContact CG-CD1 3.83Å; M84-I88 HydrophobicContact CG-CG1 4.26Å; M84-I88 WeakPolarHBondContact O-CG1 3.3Å; M84-I88 PolarHBondContact O-N 3.49Å; M84-I88 HydrophobicContact SD-CD1 4.21Å; M84-I88 HydrophobicContact SD-CG1 4.09Å; E85-I88 PolarHBondContact O-N 3.33Å; I88-N90 PolarHBondContact O-N 3.07Å; I88-T91 WeakPolarHBondContact CA-OG1 3.37Å; I88-T91 PolarHBondContact O-N 3.04Å; I88-T91 PolarHBondContact O-OG1 2.7Å; I88-L92 HydrophobicContact CG2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CG 4.48Å; I88-L92 WeakPolarHBondContact O-CB 3.23Å; I88-L92 VanDerWaalsContact O-CG 3.31Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 2.87Å
89L89.4Confident87.8Confident26 Ų2680.8 Ų80.814%0.13640%0.403CS..Hα-helixtrans-64.2-42.2-179.7-71.2174.9000112.7L53 E85 R86 L92 G93 F94 I96L53-L89 HydrophobicContact CD1-CD2 4.37Å; L53-L89 HydrophobicContact CD1-CG 4.27Å; L53-L89 HydrophobicContact CD2-CD1 4.12Å; L53-L89 HydrophobicContact CD2-CD2 3.96Å; L53-L89 HydrophobicContact CD2-CG 4.09Å; E85-L89 HydrophobicContact CG-CD1 4.11Å; E85-L89 WeakPolarHBondContact O-CB 3.34Å; E85-L89 VanDerWaalsContact O-CG 3.27Å; E85-L89 WeakPolarHBondContact O-CG 3.45Å; E85-L89 PolarHBondContact O-N 2.97Å; R86-L89 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3.11Å; L89-G93 PolarHBondContact O-N 3.38Å; L89-G93 VanDerWaalsContact O-N 3.11Å; L89-F94 HydrophobicContact CB-CD1 4.33Å; L89-F94 HydrophobicContact CB-CE1 3.96Å; L89-F94 HydrophobicContact CB-CE2 4.46Å; L89-F94 HydrophobicContact CB-CZ 4.02Å; L89-F94 HydrophobicContact CD1-CE1 4.06Å; L89-F94 HydrophobicContact CD2-CD1 4.36Å; L89-F94 HydrophobicContact CG-CE1 4.42Å; L89-F94 PolarHBondContact O-N 3.24Å; L89-I96 HydrophobicContact CD2-CD1 3.37Å; L89-I96 HydrophobicContact CD2-CG1 4.06Å
90N90.2Very high87.5Confident110 Ų11075.4 Ų75.459%0.58838%0.378SS*.Hα-helixtrans-66.4-42.4177.8-75.1-29.3000111.6R86 E87 I88 L92 G93R86-N90 VanDerWaalsContact O-CB 3.25Å; R86-N90 WeakPolarHBondContact O-CB 3.36Å; R86-N90 PolarHBondContact O-N 3.12Å; R86-N90 PolarHBondContact O-ND2 3.16Å; R86-N90 VanDerWaalsContact O-ND2 3.1Å; E87-N90 PolarHBondContact O-N 3.48Å; I88-N90 PolarHBondContact O-N 3.07Å; N90-L92 VanDerWaalsContact C-N 3.32Å; N90-L92 PolarHBondContact O-N 3.29Å; N90-G93 PolarHBondContact O-N 3.31Å; N90-G93 VanDerWaalsContact O-N 3.12Å
91T87.2Confident87.3Confident117 Ų11774.5 Ų74.572%0.71837%0.37SS*.Hα-helixtrans-66.2-33.8177.751.60000112.6E87 I88 G93E87-T91 WeakPolarHBondContact O-CB 3.45Å; E87-T91 WeakPolarHBondContact O-CG2 3.41Å; E87-T91 PolarHBondContact O-N 3.46Å; E87-T91 PolarHBondContact O-OG1 3.01Å; I88-T91 WeakPolarHBondContact CA-OG1 3.37Å; I88-T91 PolarHBondContact O-N 3.04Å; I88-T91 PolarHBondContact O-OG1 2.7Å; T91-G93 VanDerWaalsContact C-N 3.28Å
92L85.4Confident87.2Confident60 Ų6074.6 Ų74.631%0.31437%0.37SS..THydrogen-bonded Turntrans-79.8-7.6174.1-66.9175.7000113.6I88 L89 N90 F94 R95I88-L92 HydrophobicContact CG2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CG 4.48Å; I88-L92 WeakPolarHBondContact O-CB 3.23Å; I88-L92 VanDerWaalsContact O-CG 3.31Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 2.87Å; L89-L92 PolarHBondContact O-N 3.11Å; N90-L92 VanDerWaalsContact C-N 3.32Å; N90-L92 PolarHBondContact O-N 3.29Å; L92-F94 PolarHBondContact O-N 3.35Å; L92-R95 WeakPolarHBondContact O-CB 3.38Å; L92-R95 PolarHBondContact O-N 3.39Å
93G87.8Confident87Confident48 Ų4874.7 Ų74.750%0.49538%0.375SS..THydrogen-bonded Turntrans56.535.4-172.200000112.3L89 N90 T91 R95L89-G93 PolarHBondContact O-N 3.38Å; L89-G93 VanDerWaalsContact O-N 3.11Å; N90-G93 PolarHBondContact O-N 3.31Å; N90-G93 VanDerWaalsContact O-N 3.12Å; T91-G93 VanDerWaalsContact C-N 3.28Å; G93-R95 PolarHBondContact O-N 3.2Å; G93-R95 VanDerWaalsContact O-N 3.09Å
94F86.4Confident86.9Confident135 Ų13571.1 Ų71.159%0.59236%0.36SS*.THydrogen-bonded Turntrans58.116.2-174.6-65-99.7000114.9L89 L92 I96L89-F94 HydrophobicContact CB-CD1 4.33Å; L89-F94 HydrophobicContact CB-CE1 3.96Å; L89-F94 HydrophobicContact CB-CE2 4.46Å; L89-F94 HydrophobicContact CB-CZ 4.02Å; L89-F94 HydrophobicContact CD1-CE1 4.06Å; L89-F94 HydrophobicContact CD2-CD1 4.36Å; L89-F94 HydrophobicContact CG-CE1 4.42Å; L89-F94 PolarHBondContact O-N 3.24Å; L92-F94 PolarHBondContact O-N 3.35Å; F94-I96 VanDerWaalsContact C-N 3.35Å; F94-I96 PolarHBondContact O-N 2.81Å; F94-I96 VanDerWaalsContact O-N 3.15Å
95R83.5Confident86.9Confident198 Ų19870 Ų7075%0.74736%0.355SS*.  trans-8970.7175.5-61.7-176.2-179.4-175.20.3111.3L92 G93L92-R95 WeakPolarHBondContact O-CB 3.38Å; L92-R95 PolarHBondContact O-N 3.39Å; G93-R95 PolarHBondContact O-N 3.2Å; G93-R95 VanDerWaalsContact O-N 3.09Å
96I79.4Confident86.9Confident35 Ų3573.5 Ų73.518%0.17937%0.367CS..  trans-82-30.1-178.9-51.6172.2000111.3M35 L89 F94 R98M35-I96 HydrophobicContact CE-CG2 4.13Å; M35-I96 HydrophobicContact CG-CG2 4.26Å; M35-I96 HydrophobicContact SD-CG2 3.33Å; M35-I96 WeakPolarHBondContact SD-CG2 3.34Å; L89-I96 HydrophobicContact CD2-CD1 3.37Å; L89-I96 HydrophobicContact CD2-CG1 4.06Å; F94-I96 VanDerWaalsContact C-N 3.35Å; F94-I96 PolarHBondContact O-N 2.81Å; F94-I96 VanDerWaalsContact O-N 3.15Å; I96-R98 PolarHBondContact O-N 3.49Å
97C78.3Confident86.8Confident87 Ų8775 Ų7559%0.58837%0.372SS*.  trans-74.595.8-177.8-45.60000110.8Y57Y57-C97 PolarHBondContact OH-SG 2.88Å
98R78.5Confident86.7Confident161 Ų16171.4 Ų71.461%0.60836%0.356SS*.  trans-115.4146.6171.4-64.3-173.5-175.7-171.62.1109.8I96 L100I96-R98 PolarHBondContact O-N 3.49Å; R98-L100 PolarHBondContact O-N 2.86Å
99P83.1Confident86.7Confident79 Ų7971 Ų7151%0.51335%0.354SS..  trans-67.7112.2-179.329.8-35.7000109.8F104 P140P99-F104 HydrophobicContact CB-CE2 3.78Å; P99-F104 HydrophobicContact CB-CZ 4.09Å; P99-F104 HydrophobicContact CG-CE2 4.42Å; P99-P140 WeakPolarHBondContact O-CB 3.19Å; P99-P140 WeakPolarHBondContact O-CG 3.48Å
100L86.1Confident86.6Confident13 Ų1379.6 Ų79.67%0.06839%0.385CS..  trans-76.5144-174.9-58.8168.2000110.8E31 F34 R98 I102 S103E31-L100 HydrophobicContact CB-CD1 3.57Å; E31-L100 HydrophobicContact CG-CD1 3.69Å; F34-L100 HydrophobicContact CB-CD2 3.77Å; R98-L100 PolarHBondContact O-N 2.86Å; L100-I102 HydrophobicContact CB-CG2 3.97Å; L100-I102 PolarHBondContact O-N 3.19Å; L100-S103 WeakPolarHBondContact O-CB 3.44Å; L100-S103 PolarHBondContact O-N 3.42Å
101P88.2Confident86.4Confident11 Ų1175.8 Ų75.87%0.07137%0.368CS..Hα-helixtrans-56.3-35177.1-22.831.3000112.8F34 S103 F104 L105 L126 P140 A144F34-P101 HydrophobicContact CD1-CG 4.07Å; P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.36Å; P101-F104 PolarHBondContact O-N 2.86Å; P101-L105 PolarHBondContact O-N 3.19Å; P101-L126 HydrophobicContact CB-CD1 3.7Å; P101-L126 HydrophobicContact CB-CD2 3.8Å; P101-L126 HydrophobicContact CB-CG 4Å; P101-P140 HydrophobicContact CB-CB 4.28Å; P101-P140 HydrophobicContact CG-CB 3.83Å; P101-P140 HydrophobicContact CG-CG 4.49Å; P101-A144 WeakPolarHBondContact O-CB 3.44Å
102I88.9Confident86.2Confident2 Ų271 Ų711%0.0134%0.339CS..Hα-helixtrans-63.3-32.4178.4-166164.9000113.1P30 E31 F34 L100 L105 R106 L126P30-I102 HydrophobicContact CB-CD1 3.67Å; P30-I102 HydrophobicContact CG-CD1 3.59Å; E31-I102 HydrophobicContact CG-CG2 3.94Å; F34-I102 HydrophobicContact CD2-CB 4.28Å; F34-I102 HydrophobicContact CD2-CG2 4.24Å; F34-I102 HydrophobicContact CE2-CB 4.11Å; F34-I102 HydrophobicContact CE2-CD1 4.35Å; L100-I102 HydrophobicContact CB-CG2 3.97Å; L100-I102 PolarHBondContact O-N 3.19Å; I102-L105 PolarHBondContact O-N 3.01Å; I102-R106 WeakPolarHBondContact O-CG 3.3Å; I102-R106 PolarHBondContact O-N 3.32Å; I102-L126 HydrophobicContact CB-CD2 4.42Å
103S89.5Confident86Confident61 Ų6175.9 Ų75.943%0.42736%0.362SS..Hα-helixtrans-67.4-41177.4-54.30000111.3L100 P101 R107L100-S103 WeakPolarHBondContact O-CB 3.44Å; L100-S103 PolarHBondContact O-N 3.42Å; P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.36Å; S103-R107 PolarHBondContact O-N 3.43Å
104F90.7Very high85.7Confident46 Ų4674.7 Ų74.720%0.20235%0.348CS..Hα-helixtrans-65.9-41.7171.8-69.8-73000111.7P99 P101 R106 R107 F108 P140 A144P99-F104 HydrophobicContact CB-CE2 3.78Å; P99-F104 HydrophobicContact CB-CZ 4.09Å; P99-F104 HydrophobicContact CG-CE2 4.42Å; P101-F104 PolarHBondContact O-N 2.86Å; F104-R106 VanDerWaalsContact C-N 3.35Å; F104-R106 PolarHBondContact O-N 2.82Å; F104-R107 WeakPolarHBondContact O-CB 3.45Å; F104-R107 PolarHBondContact O-N 3.05Å; F104-R107 VanDerWaalsContact O-N 3.13Å; F104-F108 HydrophobicContact CB-CD2 4.41Å; F104-F108 HydrophobicContact CB-CE2 3.89Å; F104-F108 HydrophobicContact CB-CZ 4.17Å; F104-F108 HydrophobicContact CD1-CZ 4.31Å; F104-F108 WeakPolarHBondContact O-CD2 3.49Å; F104-F108 VanDerWaalsContact O-CG 3.22Å; F104-F108 WeakPolarHBondContact O-CG 3.47Å; F104-F108 PolarHBondContact O-N 2.95Å; F104-P140 HydrophobicContact CD2-CB 3.96Å; F104-P140 HydrophobicContact CE2-CB 3.87Å; F104-A144 HydrophobicContact CB-CB 3.63Å
105L90.5Very high85.8Confident0 Ų071 Ų710%034%0.339CS..Hα-helixtrans-59.2-45.5178.2179.162000111.3P101 I102 R107 F108 S109 A122 K123 L126 A144 L148P101-L105 PolarHBondContact O-N 3.19Å; I102-L105 PolarHBondContact O-N 3.01Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.46Å; L105-F108 PolarHBondContact O-N 2.66Å; L105-S109 WeakPolarHBondContact O-CB 3.12Å; L105-S109 PolarHBondContact O-N 2.71Å; L105-S109 PolarHBondContact O-OG 2.99Å; L105-S109 VanDerWaalsContact O-OG 3.05Å; L105-A122 HydrophobicContact CD1-CB 3.61Å; L105-A122 HydrophobicContact CD2-CB 4.08Å; L105-A122 HydrophobicContact CG-CB 4.45Å; L105-K123 HydrophobicContact CD2-CB 4.14Å; L105-L126 HydrophobicContact CB-CD2 4.39Å; L105-L126 HydrophobicContact CD2-CD2 4.14Å; L105-A144 HydrophobicContact CB-CB 4.11Å; L105-L148 HydrophobicContact CD1-CB 3.95Å; L105-L148 HydrophobicContact CD1-CD1 4.35Å; L105-L148 HydrophobicContact CD1-CD2 4.27Å; L105-L148 HydrophobicContact CD1-CG 4.44Å
106R90.8Very high86.1Confident97 Ų9770.2 Ų70.237%0.36634%0.344SS..Hα-helixtrans-58.5-42.4175.2-72.2178.2-176.1153.95.9112E31 I102 F104 R110E31-R106 IonicContact OE1-CZ 2.66Å; E31-R106 IonicContact OE1-NH1 3.87Å; E31-R106 PolarHBondContact OE1-NH1 2.68Å; E31-R106 IonicContact OE1-NH2 3.64Å; E31-R106 PolarHBondContact OE1-NH2 3.03Å; E31-R106 IonicContact OE2-NH2 3.93Å; I102-R106 WeakPolarHBondContact O-CG 3.3Å; I102-R106 PolarHBondContact O-N 3.32Å; F104-R106 VanDerWaalsContact C-N 3.35Å; F104-R106 PolarHBondContact O-N 2.82Å; R106-R110 WeakPolarHBondContact O-CG 3.22Å; R106-R110 PolarHBondContact O-N 3.24Å
107R89.5Confident86.6Confident181 Ų18174.3 Ų74.368%0.68337%0.365SS*.Hα-helixtrans-63.5-46.1176.3-175.5176.4176.9-175.4-2.2111.5S103 F104 L105 R110 A111S103-R107 PolarHBondContact O-N 3.43Å; F104-R107 WeakPolarHBondContact O-CB 3.45Å; F104-R107 PolarHBondContact O-N 3.05Å; F104-R107 VanDerWaalsContact O-N 3.13Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.46Å; R107-R110 PolarHBondContact O-N 2.86Å; R107-A111 PolarHBondContact O-N 3.23Å
108F88.6Confident87.1Confident12 Ų1270.2 Ų70.25%0.05334%0.337CS..Hα-helixtrans-67.4-43.7180-58.9-29.6000112F104 L105 R110 A111 T112 S141 A144 A145 L148 F164 T168F104-F108 HydrophobicContact CB-CD2 4.41Å; F104-F108 HydrophobicContact CB-CE2 3.89Å; F104-F108 HydrophobicContact CB-CZ 4.17Å; F104-F108 HydrophobicContact CD1-CZ 4.31Å; F104-F108 WeakPolarHBondContact O-CD2 3.49Å; F104-F108 VanDerWaalsContact O-CG 3.22Å; F104-F108 WeakPolarHBondContact O-CG 3.47Å; F104-F108 PolarHBondContact O-N 2.95Å; L105-F108 PolarHBondContact O-N 2.66Å; F108-R110 VanDerWaalsContact C-N 3.26Å; F108-R110 PolarHBondContact O-N 3.25Å; F108-A111 WeakPolarHBondContact O-CB 3.33Å; F108-A111 PolarHBondContact O-N 3.42Å; F108-T112 WeakPolarHBondContact O-CG2 3.36Å; F108-T112 PolarHBondContact O-N 2.96Å; F108-T112 PolarHBondContact O-OG1 2.66Å; F108-T112 VanDerWaalsContact O-OG1 3.13Å; F108-S141 WeakPolarHBondContact CE2-O 3.04Å; F108-A144 HydrophobicContact CD2-CB 4.01Å; F108-A144 HydrophobicContact CE2-CB 3.87Å; F108-A145 HydrophobicContact CD2-CB 4.28Å; F108-A145 HydrophobicContact CE2-CB 3.86Å; F108-L148 HydrophobicContact CB-CD2 3.48Å; F108-L148 VanDerWaalsContact CB-CD2 3.48Å; F108-F164 HydrophobicContact CB-CE1 4.3Å; F108-F164 HydrophobicContact CB-CZ 4.48Å; F108-F164 HydrophobicContact CG-CE1 4.45Å; F108-T168 HydrophobicContact CD1-CG2 3.54Å; F108-T168 HydrophobicContact CE1-CG2 3.53Å; F108-T168 HydrophobicContact CG-CG2 4.49Å; F108-T168 HydrophobicContact CZ-CG2 4.45Å
109S88.4Confident87.7Confident11 Ų1165.1 Ų65.18%0.07732%0.32CS..Hα-helixtrans-58.7-36.7176.3-65.60000112.8L105 T112 M113 A114 H119L105-S109 WeakPolarHBondContact O-CB 3.12Å; L105-S109 PolarHBondContact O-N 2.71Å; L105-S109 PolarHBondContact O-OG 2.99Å; L105-S109 VanDerWaalsContact O-OG 3.05Å; S109-T112 PolarHBondContact O-OG1 2.96Å; S109-M113 PolarHBondContact O-N 3.25Å; S109-A114 PolarHBondContact O-N 3.34Å; S109-H119 WeakPolarHBondContact CB-ND1 3.48Å; S109-H119 PolarHBondContact OG-ND1 3.08Å
110R87.8Confident88.1Confident208 Ų20864.1 Ų64.179%0.78532%0.318SS*.Hα-helixtrans-67.7-45.3172-71.9178.9-175.2178.22.1111.9R106 R107 F108 T112 M113R106-R110 WeakPolarHBondContact O-CG 3.22Å; R106-R110 PolarHBondContact O-N 3.24Å; R107-R110 PolarHBondContact O-N 2.86Å; F108-R110 VanDerWaalsContact C-N 3.26Å; F108-R110 PolarHBondContact O-N 3.25Å; R110-T112 PolarHBondContact O-N 3.13Å; R110-M113 PolarHBondContact O-N 3.4Å
111A86.1Confident88.4Confident29 Ų2965.8 Ų65.824%0.2433%0.326CS..Hα-helixtrans-60.8-27.9-179.100000113.3R107 F108 K167R107-A111 PolarHBondContact O-N 3.23Å; F108-A111 WeakPolarHBondContact O-CB 3.33Å; F108-A111 PolarHBondContact O-N 3.42Å; A111-K167 HydrophobicContact CB-CD 4.26Å; A111-K167 PolarHBondContact O-NZ 3.19Å; A111-K167 VanDerWaalsContact O-NZ 3.16Å
112T81.9Confident88.6Confident18 Ų1865.3 Ų65.311%0.1132%0.323CS..THydrogen-bonded Turntrans-103.7-0.1-174.165.90000113.6F108 S109 R110 A114 M152 F164F108-T112 WeakPolarHBondContact O-CG2 3.36Å; F108-T112 PolarHBondContact O-N 2.96Å; F108-T112 PolarHBondContact O-OG1 2.66Å; F108-T112 VanDerWaalsContact O-OG1 3.13Å; S109-T112 PolarHBondContact O-OG1 2.96Å; R110-T112 PolarHBondContact O-N 3.13Å; T112-A114 PolarHBondContact O-N 3.29Å; T112-M152 HydrophobicContact CG2-CE 4.09Å; T112-F164 HydrophobicContact CG2-CD2 3.62Å; T112-F164 HydrophobicContact CG2-CE1 4.25Å; T112-F164 HydrophobicContact CG2-CE2 2.91Å; T112-F164 HydrophobicContact CG2-CZ 3.27Å
113M82.9Confident88.7Confident162 Ų16268.1 Ų68.180%0.79834%0.335SS*.THydrogen-bonded Turntrans50.747.2-172.3-56.7-177.3-72.800111.2S109 R110S109-M113 PolarHBondContact O-N 3.25Å; R110-M113 PolarHBondContact O-N 3.4Å
114A80.7Confident88.8Confident23 Ų2370.7 Ų70.719%0.1934%0.337CS..  trans-63.7137.5-18000000110.7S109 T112 L118S109-A114 PolarHBondContact O-N 3.34Å; T112-A114 PolarHBondContact O-N 3.29Å; A114-L118 HydrophobicContact CB-CB 4.28Å; A114-L118 HydrophobicContact CB-CD2 3.74Å; A114-L118 HydrophobicContact CB-CG 4.02Å
115S88Confident88.8Confident58 Ų5869.6 Ų69.641%0.40633%0.332SS..  trans-65.7160169.9650000110.6I117 L118 H119S115-I117 PolarHBondContact O-N 3.13Å; S115-L118 PolarHBondContact O-N 2.75Å; S115-L118 WeakPolarHBondContact OG-CB 3.13Å; S115-L118 PolarHBondContact OG-N 3.03Å; S115-H119 PolarHBondContact O-N 3.42Å
116Q89.7Confident88.8Confident180 Ų18069.6 Ų69.684%0.84133%0.332SS*.Hα-helixtrans-57.2-39.4176.8-64.7-177.822.100111.7L118 H119 A120Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 2.98Å; Q116-H119 PolarHBondContact O-N 3.05Å; Q116-A120 WeakPolarHBondContact O-CB 3.35Å; Q116-A120 PolarHBondContact O-N 3.45Å
117I90.3Very high88.6Confident121 Ų12167.9 Ų67.962%0.62133%0.328SS*.Hα-helixtrans-60.9-44.9175.8-60.4170.6000110.5S115 A120 M121 L155S115-I117 PolarHBondContact O-N 3.13Å; I117-A120 PolarHBondContact O-N 3.47Å; I117-M121 WeakPolarHBondContact O-CB 3.47Å; I117-M121 PolarHBondContact O-N 3.31Å; I117-L155 HydrophobicContact CG2-CD1 3.93Å; I117-L155 HydrophobicContact CG2-CD2 4.12Å
118L89.7Confident88.5Confident2 Ų260.3 Ų60.31%0.0130%0.301CS..Hα-helixtrans-66.4-40.8179.7176.558.4000112.3A114 S115 Q116 M121 A122 L148 A151 M152 L155A114-L118 HydrophobicContact CB-CB 4.28Å; A114-L118 HydrophobicContact CB-CD2 3.74Å; A114-L118 HydrophobicContact CB-CG 4.02Å; S115-L118 PolarHBondContact O-N 2.75Å; S115-L118 WeakPolarHBondContact OG-CB 3.13Å; S115-L118 PolarHBondContact OG-N 3.03Å; Q116-L118 VanDerWaalsContact C-N 3.34Å; Q116-L118 PolarHBondContact O-N 2.98Å; L118-M121 PolarHBondContact O-N 3.22Å; L118-A122 WeakPolarHBondContact O-CB 3.16Å; L118-A122 PolarHBondContact O-N 2.99Å; L118-L148 HydrophobicContact CD1-CD1 4.24Å; L118-L148 HydrophobicContact CD2-CD1 4.39Å; L118-L148 HydrophobicContact CG-CD1 4.02Å; L118-A151 VanDerWaalsContact CD1-C 3.47Å; L118-A151 HydrophobicContact CD1-CB 3.54Å; L118-M152 HydrophobicContact CD1-CB 4.29Å; L118-M152 HydrophobicContact CD1-CG 3.59Å; L118-M152 HydrophobicContact CD2-CE 3.7Å; L118-M152 HydrophobicContact CD2-CG 3.58Å; L118-M152 HydrophobicContact CD2-SD 4.45Å; L118-M152 HydrophobicContact CG-CG 4.16Å; L118-L155 HydrophobicContact CB-CD1 4.05Å; L118-L155 HydrophobicContact CD1-CD1 3.89Å
119H91.1Very high88.4Confident54 Ų5460 Ų6025%0.2530%0.3CS..Hα-helixtrans-63.8-44.1174.9-174.571.5000111.8S109 S115 Q116 A122 K123S109-H119 WeakPolarHBondContact CB-ND1 3.48Å; S109-H119 PolarHBondContact OG-ND1 3.08Å; S115-H119 PolarHBondContact O-N 3.42Å; Q116-H119 PolarHBondContact O-N 3.05Å; H119-A122 PolarHBondContact O-N 3.03Å; H119-K123 WeakPolarHBondContact O-CB 3.18Å; H119-K123 PolarHBondContact O-N 2.78Å
120A91.4Very high88.1Confident58 Ų5860.9 Ų60.948%0.47930%0.303SS..Hα-helixtrans-62.2-43.5177.100000111.9Q116 I117 K123 Y124Q116-A120 WeakPolarHBondContact O-CB 3.35Å; Q116-A120 PolarHBondContact O-N 3.45Å; I117-A120 PolarHBondContact O-N 3.47Å; A120-K123 WeakPolarHBondContact O-CB 3.39Å; A120-K123 PolarHBondContact O-N 3.12Å; A120-Y124 PolarHBondContact O-N 3.06Å
121M91.5Very high87.7Confident48 Ų4854.1 Ų54.124%0.23628%0.282CS..Hα-helixtrans-65.4-41.4177.3-167.173-179.500112I117 L118 K123 Y124 F125 A151 V154 L155I117-M121 WeakPolarHBondContact O-CB 3.47Å; I117-M121 PolarHBondContact O-N 3.31Å; L118-M121 PolarHBondContact O-N 3.22Å; M121-K123 VanDerWaalsContact C-N 3.31Å; M121-K123 PolarHBondContact O-N 3.35Å; M121-Y124 WeakPolarHBondContact O-CB 3.37Å; M121-Y124 PolarHBondContact O-N 3.47Å; M121-F125 HydrophobicContact CE-CE2 3.68Å; M121-F125 HydrophobicContact CE-CZ 3.6Å; M121-F125 HydrophobicContact CG-CD2 4.22Å; M121-F125 HydrophobicContact CG-CE2 3.71Å; M121-F125 WeakPolarHBondContact O-CD2 3.39Å; M121-F125 PolarHBondContact O-N 3.42Å; M121-F125 HydrophobicContact SD-CE2 4.42Å; M121-A151 HydrophobicContact CB-CB 3.95Å; M121-A151 HydrophobicContact CG-CB 3.9Å; M121-V154 HydrophobicContact CE-CG1 4.01Å; M121-L155 HydrophobicContact CB-CD1 3.97Å; M121-L155 HydrophobicContact CG-CD1 4.3Å
122A92Very high87.4Confident0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-64.7-37.6175.100000111.8L105 L118 H119 F125 L126 A147 L148 A151L105-A122 HydrophobicContact CD1-CB 3.61Å; L105-A122 HydrophobicContact CD2-CB 4.08Å; L105-A122 HydrophobicContact CG-CB 4.45Å; L118-A122 WeakPolarHBondContact O-CB 3.16Å; L118-A122 PolarHBondContact O-N 2.99Å; H119-A122 PolarHBondContact O-N 3.03Å; A122-F125 PolarHBondContact O-N 2.95Å; A122-L126 PolarHBondContact O-N 3.47Å; A122-L126 VanDerWaalsContact O-N 3.07Å; A122-A147 WeakPolarHBondContact O-CB 3.33Å; A122-L148 HydrophobicContact CB-CB 4.28Å; A122-L148 HydrophobicContact CB-CD1 3.89Å; A122-A151 HydrophobicContact CB-CB 3.86Å
123K91.8Very high87.2Confident62 Ų6259.8 Ų59.827%0.2730%0.299SS..Hα-helixtrans-61.5-45.8173.4-170-173.1176.5-1560110.7L105 H119 A120 M121 F125 L126 E127L105-K123 HydrophobicContact CD2-CB 4.14Å; H119-K123 WeakPolarHBondContact O-CB 3.18Å; H119-K123 PolarHBondContact O-N 2.78Å; A120-K123 WeakPolarHBondContact O-CB 3.39Å; A120-K123 PolarHBondContact O-N 3.12Å; M121-K123 VanDerWaalsContact C-N 3.31Å; M121-K123 PolarHBondContact O-N 3.35Å; K123-F125 PolarHBondContact O-N 3.23Å; K123-L126 WeakPolarHBondContact O-CA 3.28Å; K123-L126 VanDerWaalsContact O-CB 3.28Å; K123-L126 WeakPolarHBondContact O-CB 3.43Å; K123-L126 PolarHBondContact O-N 2.97Å; K123-E127 WeakPolarHBondContact CE-OE1 3.35Å; K123-E127 IonicContact NZ-OE1 3.85Å; K123-E127 WeakPolarHBondContact O-CG 3.48Å; K123-E127 PolarHBondContact O-N 2.96Å
124Y90.6Very high87.1Confident115 Ų11555 Ų5545%0.45128%0.282SS..Hα-helixtrans-56.6-46.4175.7173.5-107.3000112.8A120 M121 L126 E127 L128A120-Y124 PolarHBondContact O-N 3.06Å; M121-Y124 WeakPolarHBondContact O-CB 3.37Å; M121-Y124 PolarHBondContact O-N 3.47Å; Y124-L126 VanDerWaalsContact C-N 3.27Å; Y124-L126 PolarHBondContact O-N 2.92Å; Y124-E127 PolarHBondContact O-N 3.28Å; Y124-L128 HydrophobicContact CD1-CD1 4.09Å; Y124-L128 HydrophobicContact CE1-CD1 3.47Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.47Å; Y124-L128 HydrophobicContact CE1-CG 4.15Å; Y124-L128 HydrophobicContact CE2-CD1 4.41Å; Y124-L128 HydrophobicContact CE2-CD2 4.33Å; Y124-L128 HydrophobicContact CE2-CG 4.26Å; Y124-L128 WeakPolarHBondContact O-CG 3.21Å; Y124-L128 PolarHBondContact O-N 3.45Å
125F90.9Very high87.1Confident22 Ų2254.2 Ų54.210%0.09627%0.274CS..Hα-helixtrans-62.8-33.9175.6-73.8-57.5000113.2M121 A122 K123 L128 M129 A147 I150 A151 V154M121-F125 HydrophobicContact CE-CE2 3.68Å; M121-F125 HydrophobicContact CE-CZ 3.6Å; M121-F125 HydrophobicContact CG-CD2 4.22Å; M121-F125 HydrophobicContact CG-CE2 3.71Å; M121-F125 WeakPolarHBondContact O-CD2 3.39Å; M121-F125 PolarHBondContact O-N 3.42Å; M121-F125 HydrophobicContact SD-CE2 4.42Å; A122-F125 PolarHBondContact O-N 2.95Å; K123-F125 PolarHBondContact O-N 3.23Å; F125-L128 HydrophobicContact CD1-CD1 4.15Å; F125-L128 PolarHBondContact O-N 3.26Å; F125-M129 WeakPolarHBondContact O-CG 3.35Å; F125-M129 PolarHBondContact O-N 2.95Å; F125-A147 HydrophobicContact CB-CB 3.93Å; F125-I150 HydrophobicContact CD1-CG2 4.1Å; F125-I150 HydrophobicContact CD2-CB 4.23Å; F125-I150 HydrophobicContact CD2-CG2 3.92Å; F125-I150 HydrophobicContact CE1-CG2 3.81Å; F125-I150 HydrophobicContact CE2-CB 4.3Å; F125-I150 HydrophobicContact CE2-CG2 3.61Å; F125-I150 HydrophobicContact CG-CG2 4.17Å; F125-I150 HydrophobicContact CZ-CG2 3.55Å; F125-A151 HydrophobicContact CD2-CB 4Å; F125-A151 HydrophobicContact CE2-CB 4.12Å; F125-V154 HydrophobicContact CZ-CG2 4.18Å
126L90.6Very high86.7Confident1 Ų153.8 Ų53.81%0.00527%0.269CS..Hα-helixtrans-67.6-39176.2-160.163.1000111.8F34 P101 I102 L105 A122 K123 Y124 M129 L130 Q143 A147F34-L126 HydrophobicContact CE1-CD2 4.12Å; F34-L126 HydrophobicContact CE1-CG 3.77Å; F34-L126 HydrophobicContact CZ-CB 4.32Å; F34-L126 HydrophobicContact CZ-CD2 3.86Å; F34-L126 HydrophobicContact CZ-CG 3.83Å; P101-L126 HydrophobicContact CB-CD1 3.7Å; P101-L126 HydrophobicContact CB-CD2 3.8Å; P101-L126 HydrophobicContact CB-CG 4Å; I102-L126 HydrophobicContact CB-CD2 4.42Å; L105-L126 HydrophobicContact CB-CD2 4.39Å; L105-L126 HydrophobicContact CD2-CD2 4.14Å; A122-L126 PolarHBondContact O-N 3.47Å; A122-L126 VanDerWaalsContact O-N 3.07Å; K123-L126 WeakPolarHBondContact O-CA 3.28Å; K123-L126 VanDerWaalsContact O-CB 3.28Å; K123-L126 WeakPolarHBondContact O-CB 3.43Å; K123-L126 PolarHBondContact O-N 2.97Å; Y124-L126 VanDerWaalsContact C-N 3.27Å; Y124-L126 PolarHBondContact O-N 2.92Å; L126-M129 HydrophobicContact CD1-SD 4.48Å; L126-M129 PolarHBondContact O-N 2.85Å; L126-L130 PolarHBondContact O-N 3.38Å; L126-Q143 HydrophobicContact CD1-CB 3.95Å; L126-A147 HydrophobicContact CB-CB 4.26Å; L126-A147 HydrophobicContact CD1-CB 4.19Å
127E87Confident86.2Confident60 Ų6052.5 Ų52.528%0.2827%0.268SS..Hα-helixtrans-65.7-38.7173.6-63.7177.3-179.900111.2M33 F34 K123 Y124 M129 L130M33-E127 HydrophobicContact CE-CB 4.22Å; M33-E127 HydrophobicContact CE-CG 3.59Å; F34-E127 HydrophobicContact CZ-CG 4.36Å; K123-E127 WeakPolarHBondContact CE-OE1 3.35Å; K123-E127 IonicContact NZ-OE1 3.85Å; K123-E127 WeakPolarHBondContact O-CG 3.48Å; K123-E127 PolarHBondContact O-N 2.96Å; Y124-E127 PolarHBondContact O-N 3.28Å; E127-M129 VanDerWaalsContact C-N 3.34Å; E127-M129 PolarHBondContact O-N 3.29Å; E127-L130 WeakPolarHBondContact O-CB 3.35Å; E127-L130 PolarHBondContact O-N 2.96Å
128L87.6Confident86Confident22 Ų2248.1 Ų48.112%0.11525%0.246CC..Hα-helixtrans-63.6-37.4172.3-70.2179.8000112.8Y124 F125 L130 L131 F184Y124-L128 HydrophobicContact CD1-CD1 4.09Å; Y124-L128 HydrophobicContact CE1-CD1 3.47Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.47Å; Y124-L128 HydrophobicContact CE1-CG 4.15Å; Y124-L128 HydrophobicContact CE2-CD1 4.41Å; Y124-L128 HydrophobicContact CE2-CD2 4.33Å; Y124-L128 HydrophobicContact CE2-CG 4.26Å; Y124-L128 WeakPolarHBondContact O-CG 3.21Å; Y124-L128 PolarHBondContact O-N 3.45Å; F125-L128 HydrophobicContact CD1-CD1 4.15Å; F125-L128 PolarHBondContact O-N 3.26Å; L128-L130 PolarHBondContact O-N 3.2Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 WeakPolarHBondContact O-CB 3.35Å; L128-L131 PolarHBondContact O-N 3.41Å; L128-F184 HydrophobicContact CD1-CE1 4.38Å; L128-F184 HydrophobicContact CD2-CE1 4.48Å
129M87.4Confident85.9Confident6 Ų653 Ų533%0.0327%0.268CS..Hα-helixtrans-63.4-26.7177.1-73.5178.5-16800112.7F125 L126 E127 L131 D132 M135 Q143 A147 I150 L180F125-M129 WeakPolarHBondContact O-CG 3.35Å; F125-M129 PolarHBondContact O-N 2.95Å; L126-M129 HydrophobicContact CD1-SD 4.48Å; L126-M129 PolarHBondContact O-N 2.85Å; E127-M129 VanDerWaalsContact C-N 3.34Å; E127-M129 PolarHBondContact O-N 3.29Å; M129-L131 VanDerWaalsContact C-N 3.27Å; M129-L131 PolarHBondContact O-N 3.01Å; M129-D132 PolarHBondContact O-N 3.46Å; M129-M135 HydrophobicContact CB-CB 4.34Å; M129-M135 HydrophobicContact CB-CG 4.22Å; M129-M135 HydrophobicContact CG-CG 4.31Å; M129-M135 WeakPolarHBondContact O-CB 3.26Å; M129-Q143 HydrophobicContact SD-CB 4.07Å; M129-Q143 HydrophobicContact SD-CG 4.45Å; M129-A147 HydrophobicContact CE-CB 4.09Å; M129-I150 HydrophobicContact CE-CD1 4.2Å; M129-L180 HydrophobicContact CG-CD1 4.27Å; M129-L180 HydrophobicContact CG-CD2 4.11Å
130L81.9Confident85.7Confident30 Ų3052 Ų5216%0.15727%0.266CS..Hα-helixtrans-63.2-33.6175.7-74.8171.8000112.8R12 V16 M33 F34 L126 E127 L128R12-L130 PolarHBondContact NH1-O 3.34Å; R12-L130 PolarHBondContact NH2-O 2.93Å; V16-L130 HydrophobicContact CG1-CB 4.38Å; M33-L130 HydrophobicContact CE-CD1 3.55Å; M33-L130 HydrophobicContact CG-CD1 4.04Å; M33-L130 HydrophobicContact SD-CD1 4.3Å; F34-L130 HydrophobicContact CD1-CD1 3.67Å; F34-L130 HydrophobicContact CD1-CD2 3.65Å; F34-L130 HydrophobicContact CD1-CG 3.86Å; F34-L130 HydrophobicContact CE1-CD1 3.45Å; F34-L130 VanDerWaalsContact CE1-CD1 3.45Å; F34-L130 HydrophobicContact CE1-CD2 3.96Å; F34-L130 HydrophobicContact CE1-CG 3.64Å; F34-L130 HydrophobicContact CG-CD1 4.33Å; F34-L130 HydrophobicContact CZ-CD1 3.98Å; L126-L130 PolarHBondContact O-N 3.38Å; E127-L130 WeakPolarHBondContact O-CB 3.35Å; E127-L130 PolarHBondContact O-N 2.96Å; L128-L130 PolarHBondContact O-N 3.2Å
131L78.9Confident85.6Confident65 Ų6549.5 Ų49.534%0.3425%0.245SC..Hα-helixtrans-71.2-31.6-179.1-61.8171.6000111.9V16 L128 M129 Y133V16-L131 HydrophobicContact CB-CD2 4.04Å; V16-L131 HydrophobicContact CG1-CD2 3.67Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 WeakPolarHBondContact O-CB 3.35Å; L128-L131 PolarHBondContact O-N 3.41Å; M129-L131 VanDerWaalsContact C-N 3.27Å; M129-L131 PolarHBondContact O-N 3.01Å; L131-Y133 PolarHBondContact O-N 3.32Å
132D80Confident85.5Confident35 Ų3547.9 Ų47.919%0.18724%0.238CC..  trans-83.9111.8-178.3-167-22.3000111.3M129 S134 M135 R183M129-D132 PolarHBondContact O-N 3.46Å; D132-S134 PolarHBondContact O-N 3.12Å; D132-S134 VanDerWaalsContact O-N 3.15Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.09Å; D132-S134 PolarHBondContact OD1-OG 3.42Å; D132-S134 PolarHBondContact OD2-OG 3.02Å; D132-M135 HydrophobicContact CB-CG 3.86Å; D132-M135 WeakPolarHBondContact O-CB 3.4Å; D132-M135 PolarHBondContact O-N 2.83Å; D132-R183 IonicContact OD2-NH1 3.52Å
133Y77.4Confident85.4Confident131 Ų13149 Ų4951%0.51424%0.243SC..G310 helixtrans-57.5-28.8178.1-175.7-109.3000113.3P9 L131 M135 V136P9-Y133 HydrophobicContact CB-CG 4.46Å; P9-Y133 HydrophobicContact CG-CD1 4.29Å; L131-Y133 PolarHBondContact O-N 3.32Å; Y133-M135 PolarHBondContact O-N 2.82Å; Y133-V136 HydrophobicContact CD2-CG2 4.14Å; Y133-V136 WeakPolarHBondContact O-CB 3.39Å; Y133-V136 WeakPolarHBondContact O-CG2 3.24Å; Y133-V136 PolarHBondContact O-N 3.42Å
134S81Confident85.4Confident63 Ų6346 Ų4644%0.44123%0.23SC..G310 helixtrans-67.2-18.8178.566.50000113.3D132D132-S134 PolarHBondContact O-N 3.12Å; D132-S134 VanDerWaalsContact O-N 3.15Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 3.09Å; D132-S134 PolarHBondContact OD1-OG 3.42Å; D132-S134 PolarHBondContact OD2-OG 3.02Å
135M80.6Confident85.3Confident6 Ų640.8 Ų40.83%0.0321%0.211CC..G310 helixtrans-85.6-14.7-179.4-57.4-66.5132.100113M129 D132 Y133 N137 I138 Q143 V176 L180M129-M135 HydrophobicContact CB-CB 4.34Å; M129-M135 HydrophobicContact CB-CG 4.22Å; M129-M135 HydrophobicContact CG-CG 4.31Å; M129-M135 WeakPolarHBondContact O-CB 3.26Å; D132-M135 HydrophobicContact CB-CG 3.86Å; D132-M135 WeakPolarHBondContact O-CB 3.4Å; D132-M135 PolarHBondContact O-N 2.83Å; Y133-M135 PolarHBondContact O-N 2.82Å; M135-N137 PolarHBondContact O-N 3.39Å; M135-I138 HydrophobicContact CB-CD1 4.26Å; M135-I138 HydrophobicContact CE-CD1 4.33Å; M135-I138 HydrophobicContact CG-CD1 4.42Å; M135-I138 WeakPolarHBondContact O-CB 3.42Å; M135-I138 PolarHBondContact O-N 2.76Å; M135-I138 HydrophobicContact SD-CD1 3.33Å; M135-I138 WeakPolarHBondContact SD-CD1 3.22Å; M135-Q143 PolarHBondContact O-NE2 3.1Å; M135-V176 HydrophobicContact CE-CG1 3.87Å; M135-V176 HydrophobicContact SD-CG1 4.26Å; M135-L180 HydrophobicContact CE-CD1 3.38Å; M135-L180 HydrophobicContact CG-CD1 4.18Å; M135-L180 HydrophobicContact SD-CD1 3.5Å; M135-L180 VanDerWaalsContact SD-CD1 3.5Å
136V78.6Confident85.3Confident49 Ų4940.3 Ų40.330%0.29721%0.21SC..THydrogen-bonded Turntrans-59-35-175.2177.20000112.4Y133 I138Y133-V136 HydrophobicContact CD2-CG2 4.14Å; Y133-V136 WeakPolarHBondContact O-CB 3.39Å; Y133-V136 WeakPolarHBondContact O-CG2 3.24Å; Y133-V136 PolarHBondContact O-N 3.42Å; V136-I138 VanDerWaalsContact C-N 3.29Å; V136-I138 PolarHBondContact O-N 2.93Å
137N80.8Confident85.3Confident152 Ų15240.2 Ų40.281%0.81321%0.21SC*.THydrogen-bonded Turntrans-82.8-3-179.1-64.8-34000113.9M135M135-N137 PolarHBondContact O-N 3.39Å
138I85.1Confident85.4Confident30 Ų3037.4 Ų37.415%0.15420%0.196CC..SBendtrans-85.7136.3-177.8-56.1176000109.4M135 V136 V142 Q143 V176M135-I138 HydrophobicContact CB-CD1 4.26Å; M135-I138 HydrophobicContact CE-CD1 4.33Å; M135-I138 HydrophobicContact CG-CD1 4.42Å; M135-I138 WeakPolarHBondContact O-CB 3.42Å; M135-I138 PolarHBondContact O-N 2.76Å; M135-I138 HydrophobicContact SD-CD1 3.33Å; M135-I138 WeakPolarHBondContact SD-CD1 3.22Å; V136-I138 VanDerWaalsContact C-N 3.29Å; V136-I138 PolarHBondContact O-N 2.93Å; I138-V142 HydrophobicContact CG2-CB 3.74Å; I138-V142 HydrophobicContact CG2-CG1 3.69Å; I138-Q143 HydrophobicContact CB-CG 3.95Å; I138-Q143 HydrophobicContact CG2-CG 3.8Å; I138-Q143 PolarHBondContact O-NE2 3.21Å; I138-V176 HydrophobicContact CD1-CB 3.97Å; I138-V176 HydrophobicContact CD1-CG1 3.49Å; I138-V176 VanDerWaalsContact CD1-CG1 3.49Å; I138-V176 HydrophobicContact CD1-CG2 4.34Å
139H87.4Confident85.2Confident105 Ų10539.8 Ų39.849%0.48620%0.204SC..  trans-57.7135177.8-168.7-92.3000111.7S141 V142 Q143H139-S141 PolarHBondContact CE1-OG 3.05Å; H139-S141 PolarHBondContact ND1-N 3.17Å; H139-S141 PolarHBondContact ND1-OG 3.04Å; H139-S141 PolarHBondContact O-N 3.41Å; H139-S141 VanDerWaalsContact O-N 3.09Å; H139-V142 HydrophobicContact CB-CG2 4.15Å; H139-V142 WeakPolarHBondContact O-CA 3.38Å; H139-V142 WeakPolarHBondContact O-CB 3.48Å; H139-V142 PolarHBondContact O-N 2.83Å; H139-Q143 PolarHBondContact O-N 3.16Å; H139-Q143 VanDerWaalsContact O-N 3.11Å
140P87.5Confident85.2Confident32 Ų3240.2 Ų40.221%0.20821%0.206CC..Hα-helixtrans-52.6-35.6-176.9-32.537.5000115P99 P101 F104 Q143 A144P99-P140 WeakPolarHBondContact O-CB 3.19Å; P99-P140 WeakPolarHBondContact O-CG 3.48Å; P101-P140 HydrophobicContact CB-CB 4.28Å; P101-P140 HydrophobicContact CG-CB 3.83Å; P101-P140 HydrophobicContact CG-CG 4.49Å; F104-P140 HydrophobicContact CD2-CB 3.96Å; F104-P140 HydrophobicContact CE2-CB 3.87Å; P140-Q143 PolarHBondContact O-N 3.04Å; P140-A144 WeakPolarHBondContact O-CB 3.25Å; P140-A144 PolarHBondContact O-N 3.27Å
141S89.4Confident85.5Confident5 Ų538.8 Ų38.84%0.03520%0.199CC..Hα-helixtrans-68-34.317671.90000112.8F108 H139 A145 F170F108-S141 WeakPolarHBondContact CE2-O 3.04Å; H139-S141 PolarHBondContact CE1-OG 3.05Å; H139-S141 PolarHBondContact ND1-N 3.17Å; H139-S141 PolarHBondContact ND1-OG 3.04Å; H139-S141 PolarHBondContact O-N 3.41Å; H139-S141 VanDerWaalsContact O-N 3.09Å; S141-A145 WeakPolarHBondContact O-CB 3.07Å; S141-A145 PolarHBondContact O-N 3.05Å; S141-F170 WeakPolarHBondContact OG-CE2 3.21Å; S141-F170 WeakPolarHBondContact OG-CZ 3.49Å
142V89.8Confident85.8Confident15 Ų1535.7 Ų35.79%0.09118%0.183CC..Hα-helixtrans-72.2-40.3177.9176.30000109.9I138 H139 A145 S146 F170 P173I138-V142 HydrophobicContact CG2-CB 3.74Å; I138-V142 HydrophobicContact CG2-CG1 3.69Å; H139-V142 HydrophobicContact CB-CG2 4.15Å; H139-V142 WeakPolarHBondContact O-CA 3.38Å; H139-V142 WeakPolarHBondContact O-CB 3.48Å; H139-V142 PolarHBondContact O-N 2.83Å; V142-A145 PolarHBondContact O-N 3.41Å; V142-S146 VanDerWaalsContact O-CB 3.23Å; V142-S146 WeakPolarHBondContact O-CB 3.4Å; V142-S146 PolarHBondContact O-N 2.82Å; V142-S146 PolarHBondContact O-OG 3.13Å; V142-F170 HydrophobicContact CG2-CD1 4.1Å; V142-F170 HydrophobicContact CG2-CE1 3.38Å; V142-F170 HydrophobicContact CG2-CZ 3.96Å; V142-P173 HydrophobicContact CG1-CB 3.99Å
143Q90.2Very high86Confident22 Ų2237.3 Ų37.310%0.10319%0.191CC..Hα-helixtrans-58.5-49.9173.3-65.8178.8-9.100110.8L126 M129 M135 I138 H139 P140 A145 S146 A147L126-Q143 HydrophobicContact CD1-CB 3.95Å; M129-Q143 HydrophobicContact SD-CB 4.07Å; M129-Q143 HydrophobicContact SD-CG 4.45Å; M135-Q143 PolarHBondContact O-NE2 3.1Å; I138-Q143 HydrophobicContact CB-CG 3.95Å; I138-Q143 HydrophobicContact CG2-CG 3.8Å; I138-Q143 PolarHBondContact O-NE2 3.21Å; H139-Q143 PolarHBondContact O-N 3.16Å; H139-Q143 VanDerWaalsContact O-N 3.11Å; P140-Q143 PolarHBondContact O-N 3.04Å; Q143-A145 PolarHBondContact O-N 2.99Å; Q143-S146 PolarHBondContact O-N 3.4Å; Q143-A147 WeakPolarHBondContact O-CB 3.38Å; Q143-A147 PolarHBondContact O-N 3.06Å
144A90.7Very high86.4Confident0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-61.8-43.9178.900000113.1P101 F104 L105 F108 P140 L148P101-A144 WeakPolarHBondContact O-CB 3.44Å; F104-A144 HydrophobicContact CB-CB 3.63Å; L105-A144 HydrophobicContact CB-CB 4.11Å; F108-A144 HydrophobicContact CD2-CB 4.01Å; F108-A144 HydrophobicContact CE2-CB 3.87Å; P140-A144 WeakPolarHBondContact O-CB 3.25Å; P140-A144 PolarHBondContact O-N 3.27Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.29Å
145A89.3Confident86.5Confident5 Ų535.3 Ų35.34%0.04119%0.186CC..Hα-helixtrans-64.8-40176.400000111.8F108 S141 V142 Q143 R149F108-A145 HydrophobicContact CD2-CB 4.28Å; F108-A145 HydrophobicContact CE2-CB 3.86Å; S141-A145 WeakPolarHBondContact O-CB 3.07Å; S141-A145 PolarHBondContact O-N 3.05Å; V142-A145 PolarHBondContact O-N 3.41Å; Q143-A145 PolarHBondContact O-N 2.99Å; A145-R149 WeakPolarHBondContact O-CB 3.49Å; A145-R149 PolarHBondContact O-N 3.22Å
146S89.6Confident86.1Confident12 Ų1240.5 Ų40.58%0.08421%0.205CC..Hα-helixtrans-66.6-45.4177.9-590000111.6V142 Q143 L148 R149 I150V142-S146 VanDerWaalsContact O-CB 3.23Å; V142-S146 WeakPolarHBondContact O-CB 3.4Å; V142-S146 PolarHBondContact O-N 2.82Å; V142-S146 PolarHBondContact O-OG 3.13Å; Q143-S146 PolarHBondContact O-N 3.4Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.07Å; S146-R149 PolarHBondContact O-N 3.41Å; S146-I150 VanDerWaalsContact O-CG1 3.26Å; S146-I150 WeakPolarHBondContact O-CG1 3.37Å; S146-I150 PolarHBondContact O-N 2.96Å
147A90.6Very high85.3Confident0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-60.8-43.1177.400000111.7A122 F125 L126 M129 Q143 I150 A151A122-A147 WeakPolarHBondContact O-CB 3.33Å; F125-A147 HydrophobicContact CB-CB 3.93Å; L126-A147 HydrophobicContact CB-CB 4.26Å; L126-A147 HydrophobicContact CD1-CB 4.19Å; M129-A147 HydrophobicContact CE-CB 4.09Å; Q143-A147 WeakPolarHBondContact O-CB 3.38Å; Q143-A147 PolarHBondContact O-N 3.06Å; A147-I150 PolarHBondContact O-N 3.03Å; A147-A151 WeakPolarHBondContact O-CB 3.14Å; A147-A151 PolarHBondContact O-N 3.47Å
148L89.2Confident84.1Confident0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-66.1-41.6176.6-172.852.5000112.2L105 F108 L118 A122 A144 S146 A151 M152 F164L105-L148 HydrophobicContact CD1-CB 3.95Å; L105-L148 HydrophobicContact CD1-CD1 4.35Å; L105-L148 HydrophobicContact CD1-CD2 4.27Å; L105-L148 HydrophobicContact CD1-CG 4.44Å; F108-L148 HydrophobicContact CB-CD2 3.48Å; F108-L148 VanDerWaalsContact CB-CD2 3.48Å; L118-L148 HydrophobicContact CD1-CD1 4.24Å; L118-L148 HydrophobicContact CD2-CD1 4.39Å; L118-L148 HydrophobicContact CG-CD1 4.02Å; A122-L148 HydrophobicContact CB-CB 4.28Å; A122-L148 HydrophobicContact CB-CD1 3.89Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.29Å; S146-L148 VanDerWaalsContact C-N 3.33Å; S146-L148 PolarHBondContact O-N 3.07Å; L148-A151 PolarHBondContact O-N 3.36Å; L148-M152 HydrophobicContact CD1-CE 3.71Å; L148-M152 HydrophobicContact CD1-SD 4.11Å; L148-M152 HydrophobicContact CD2-CE 4.12Å; L148-M152 HydrophobicContact CG-CE 3.65Å; L148-M152 HydrophobicContact CG-SD 3.82Å; L148-M152 WeakPolarHBondContact O-CG 3.02Å; L148-M152 PolarHBondContact O-N 3.26Å; L148-F164 HydrophobicContact CD2-CE1 4.33Å; L148-F164 HydrophobicContact CD2-CZ 3.59Å; L148-F164 HydrophobicContact CG-CZ 4.08Å
149R83.8Confident82.6Confident72 Ų7244.5 Ų44.527%0.27224%0.238SC..Hα-helixtrans-60-48.7174.6178.8180179.2175.12.3111.8A145 S146 A151 M152 I153 W160A145-R149 WeakPolarHBondContact O-CB 3.49Å; A145-R149 PolarHBondContact O-N 3.22Å; S146-R149 PolarHBondContact O-N 3.41Å; R149-A151 VanDerWaalsContact C-N 3.32Å; R149-A151 PolarHBondContact O-N 2.99Å; R149-M152 PolarHBondContact O-N 3.47Å; R149-I153 HydrophobicContact CG-CD1 3.96Å; R149-I153 WeakPolarHBondContact O-CG1 3.46Å; R149-I153 PolarHBondContact O-N 2.9Å; R149-W160 HydrophobicContact CG-CB 4.36Å; R149-W160 HydrophobicContact CG-CG 4.23Å
150I87.1Confident80.8Confident15 Ų1541.5 Ų41.58%0.07722%0.223CC..Hα-helixtrans-61-45.2178.9-64.7166000109.6F125 M129 S146 A147 M152 I153 V154 V181F125-I150 HydrophobicContact CD1-CG2 4.1Å; F125-I150 HydrophobicContact CD2-CB 4.23Å; F125-I150 HydrophobicContact CD2-CG2 3.92Å; F125-I150 HydrophobicContact CE1-CG2 3.81Å; F125-I150 HydrophobicContact CE2-CB 4.3Å; F125-I150 HydrophobicContact CE2-CG2 3.61Å; F125-I150 HydrophobicContact CG-CG2 4.17Å; F125-I150 HydrophobicContact CZ-CG2 3.55Å; M129-I150 HydrophobicContact CE-CD1 4.2Å; S146-I150 VanDerWaalsContact O-CG1 3.26Å; S146-I150 WeakPolarHBondContact O-CG1 3.37Å; S146-I150 PolarHBondContact O-N 2.96Å; A147-I150 PolarHBondContact O-N 3.03Å; I150-M152 VanDerWaalsContact C-N 3.3Å; I150-M152 PolarHBondContact O-N 3.24Å; I150-I153 PolarHBondContact O-N 3.33Å; I150-V154 HydrophobicContact CG2-CG2 4.33Å; I150-V154 WeakPolarHBondContact O-CG2 3.34Å; I150-V154 PolarHBondContact O-N 2.87Å; I150-V181 HydrophobicContact CD1-CG2 4.08Å; I150-V181 HydrophobicContact CG1-CG2 3.92Å; I150-V181 HydrophobicContact CG2-CG2 4.07Å
151A88.9Confident78.9Confident0 Ų045.2 Ų45.20%024%0.244CC..Hα-helixtrans-59.2-39.117700000113.2L118 M121 A122 F125 A147 L148 R149 L155L118-A151 VanDerWaalsContact CD1-C 3.47Å; L118-A151 HydrophobicContact CD1-CB 3.54Å; M121-A151 HydrophobicContact CB-CB 3.95Å; M121-A151 HydrophobicContact CG-CB 3.9Å; A122-A151 HydrophobicContact CB-CB 3.86Å; F125-A151 HydrophobicContact CD2-CB 4Å; F125-A151 HydrophobicContact CE2-CB 4.12Å; A147-A151 WeakPolarHBondContact O-CB 3.14Å; A147-A151 PolarHBondContact O-N 3.47Å; L148-A151 PolarHBondContact O-N 3.36Å; R149-A151 VanDerWaalsContact C-N 3.32Å; R149-A151 PolarHBondContact O-N 2.99Å; A151-L155 WeakPolarHBondContact O-CB 3.49Å; A151-L155 WeakPolarHBondContact O-CG 3.43Å; A151-L155 PolarHBondContact O-N 3.46Å
152M85Confident76.7Confident1 Ų153 Ų531%0.00528%0.282CS..Hα-helixtrans-68.9-42.4176.1-73.8148164.900112.6T112 L118 L148 R149 I150 V154 L155 R156 W160 F164T112-M152 HydrophobicContact CG2-CE 4.09Å; L118-M152 HydrophobicContact CD1-CB 4.29Å; L118-M152 HydrophobicContact CD1-CG 3.59Å; L118-M152 HydrophobicContact CD2-CE 3.7Å; L118-M152 HydrophobicContact CD2-CG 3.58Å; L118-M152 HydrophobicContact CD2-SD 4.45Å; L118-M152 HydrophobicContact CG-CG 4.16Å; L148-M152 HydrophobicContact CD1-CE 3.71Å; L148-M152 HydrophobicContact CD1-SD 4.11Å; L148-M152 HydrophobicContact CD2-CE 4.12Å; L148-M152 HydrophobicContact CG-CE 3.65Å; L148-M152 HydrophobicContact CG-SD 3.82Å; L148-M152 WeakPolarHBondContact O-CG 3.02Å; L148-M152 PolarHBondContact O-N 3.26Å; R149-M152 PolarHBondContact O-N 3.47Å; I150-M152 VanDerWaalsContact C-N 3.3Å; I150-M152 PolarHBondContact O-N 3.24Å; M152-V154 VanDerWaalsContact C-N 3.31Å; M152-V154 PolarHBondContact O-N 2.98Å; M152-L155 PolarHBondContact O-N 2.96Å; M152-R156 WeakPolarHBondContact O-CB 3.44Å; M152-R156 PolarHBondContact O-N 3.07Å; M152-W160 HydrophobicContact CE-CH2 4.22Å; M152-W160 HydrophobicContact CE-CZ2 3.48Å; M152-W160 VanDerWaalsContact CE-CZ2 3.48Å; M152-W160 HydrophobicContact CG-CZ2 4.07Å; M152-W160 HydrophobicContact SD-CD2 4.31Å; M152-W160 HydrophobicContact SD-CH2 4.09Å; M152-W160 HydrophobicContact SD-CZ2 3.02Å; M152-W160 WeakPolarHBondContact SD-CZ2 3.2Å; M152-W160 PolarHBondContact SD-NE1 3.27Å; M152-F164 HydrophobicContact CE-CE2 3.9Å; M152-F164 HydrophobicContact CE-CZ 4.25Å; M152-F164 HydrophobicContact SD-CE2 4.25Å
153I84.2Confident74.7Confident69 Ų6957 Ų5735%0.35430%0.302SS..Hα-helixtrans-59.8-45.7176.2-68.3166.3000109.8R149 I150 G157R149-I153 HydrophobicContact CG-CD1 3.96Å; R149-I153 WeakPolarHBondContact O-CG1 3.46Å; R149-I153 PolarHBondContact O-N 2.9Å; I150-I153 PolarHBondContact O-N 3.33Å; I153-G157 VanDerWaalsContact O-CA 3.3Å; I153-G157 WeakPolarHBondContact O-CA 3.35Å; I153-G157 PolarHBondContact O-N 2.75Å
154V85.6Confident72.5Confident75 Ų7557.1 Ų57.146%0.45530%0.302SS..Hα-helixtrans-66.8-40.8-178.8173.90000112.3M121 F125 I150 M152M121-V154 HydrophobicContact CE-CG1 4.01Å; F125-V154 HydrophobicContact CZ-CG2 4.18Å; I150-V154 HydrophobicContact CG2-CG2 4.33Å; I150-V154 WeakPolarHBondContact O-CG2 3.34Å; I150-V154 PolarHBondContact O-N 2.87Å; M152-V154 VanDerWaalsContact C-N 3.31Å; M152-V154 PolarHBondContact O-N 2.98Å
155L84Confident70.3Confident77 Ų7760.4 Ų60.440%0.40333%0.33SS..Hα-helixtrans-87.7-31.8-175-70.4173000114.5I117 L118 M121 A151 M152I117-L155 HydrophobicContact CG2-CD1 3.93Å; I117-L155 HydrophobicContact CG2-CD2 4.12Å; L118-L155 HydrophobicContact CB-CD1 4.05Å; L118-L155 HydrophobicContact CD1-CD1 3.89Å; M121-L155 HydrophobicContact CB-CD1 3.97Å; M121-L155 HydrophobicContact CG-CD1 4.3Å; A151-L155 WeakPolarHBondContact O-CB 3.49Å; A151-L155 WeakPolarHBondContact O-CG 3.43Å; A151-L155 PolarHBondContact O-N 3.46Å; M152-L155 PolarHBondContact O-N 2.96Å
156R70.9Confident68Low114 Ų11465.9 Ų65.943%0.4337%0.366SS..Hα-helixtrans-110.2-15.1-174.6-61.8-172.4175.4178.4-2.5113.7M152 E158M152-R156 WeakPolarHBondContact O-CB 3.44Å; M152-R156 PolarHBondContact O-N 3.07Å; R156-E158 HydrophobicContact CB-CB 4.12Å; R156-E158 HydrophobicContact CB-CG 3.86Å; R156-E158 WeakPolarHBondContact CD-OE2 3.34Å; R156-E158 IonicContact NH1-OE2 3.06Å; R156-E158 PolarHBondContact O-N 3.11Å; R156-E158 VanDerWaalsContact O-N 3.14Å
157G63.1Low65.7Low67 Ų6772 Ų7269%0.69139%0.392SS*.  trans60.317.7-171.300000113.5I153I153-G157 VanDerWaalsContact O-CA 3.3Å; I153-G157 WeakPolarHBondContact O-CA 3.35Å; I153-G157 PolarHBondContact O-N 2.75Å
158E55Low63.7Low95 Ų9572.7 Ų72.744%0.44440%0.395SS..  trans-91.6128.1-175.1-75.1178.917000111.6R156 W160R156-E158 HydrophobicContact CB-CB 4.12Å; R156-E158 HydrophobicContact CB-CG 3.86Å; R156-E158 WeakPolarHBondContact CD-OE2 3.34Å; R156-E158 IonicContact NH1-OE2 3.06Å; R156-E158 PolarHBondContact O-N 3.11Å; R156-E158 VanDerWaalsContact O-N 3.14Å; E158-W160 PolarHBondContact O-N 3.45Å
159D52.8Low61.5Low154 Ų15481.8 Ų81.882%0.82444%0.438SS*.  trans-72.3112.4169.2-84.6-38.2000111.1V161D159-V161 PolarHBondContact O-N 3.21Å
160W49.6Very low59.8Low42 Ų4281.6 Ų81.616%0.15944%0.439CS..  trans-70.287.4-174.4-103.385.2000114R149 M152 E158 I163 F164R149-W160 HydrophobicContact CG-CB 4.36Å; R149-W160 HydrophobicContact CG-CG 4.23Å; M152-W160 HydrophobicContact CE-CH2 4.22Å; M152-W160 HydrophobicContact CE-CZ2 3.48Å; M152-W160 VanDerWaalsContact CE-CZ2 3.48Å; M152-W160 HydrophobicContact CG-CZ2 4.07Å; M152-W160 HydrophobicContact SD-CD2 4.31Å; M152-W160 HydrophobicContact SD-CH2 4.09Å; M152-W160 HydrophobicContact SD-CZ2 3.02Å; M152-W160 WeakPolarHBondContact SD-CZ2 3.2Å; M152-W160 PolarHBondContact SD-NE1 3.27Å; E158-W160 PolarHBondContact O-N 3.45Å; W160-I163 HydrophobicContact CH2-CB 3.73Å; W160-I163 HydrophobicContact CH2-CG2 4.05Å; W160-I163 HydrophobicContact CZ3-CB 3.84Å; W160-I163 HydrophobicContact CZ3-CG2 4.5Å; W160-F164 HydrophobicContact CE3-CB 4.07Å; W160-F164 AromaticContact CE3-CD2 3.86Å; W160-F164 HydrophobicContact CE3-CD2 3.86Å; W160-F164 HydrophobicContact CE3-CE2 4.27Å; W160-F164 HydrophobicContact CE3-CG 4.2Å; W160-F164 HydrophobicContact CH2-CB 4.48Å; W160-F164 AromaticContact CH2-CD2 2.95Å; W160-F164 HydrophobicContact CH2-CD2 2.95Å; W160-F164 AromaticContact CH2-CE2 3.05Å; W160-F164 HydrophobicContact CH2-CE2 3.05Å; W160-F164 HydrophobicContact CH2-CG 4.04Å; W160-F164 HydrophobicContact CH2-CZ 4.34Å; W160-F164 AromaticContact CZ2-CD2 3.98Å; W160-F164 HydrophobicContact CZ2-CD2 3.98Å; W160-F164 AromaticContact CZ2-CE2 3.64Å; W160-F164 HydrophobicContact CZ2-CE2 3.64Å; W160-F164 HydrophobicContact CZ3-CB 3.56Å; W160-F164 AromaticContact CZ3-CD2 2.88Å; W160-F164 HydrophobicContact CZ3-CD2 2.88Å; W160-F164 AromaticContact CZ3-CE2 3.44Å; W160-F164 HydrophobicContact CZ3-CE2 3.44Å; W160-F164 VanDerWaalsContact CZ3-CE2 3.44Å; W160-F164 AromaticContact CZ3-CG 3.54Å; W160-F164 HydrophobicContact CZ3-CG 3.54Å
161V48.7Very low57.6Low109 Ų10988.1 Ų88.166%0.66147%0.473SS*.SBendtrans-121.4-26.1173.7-174.10000115D159D159-V161 PolarHBondContact O-N 3.21Å
162M42.8Very low55.5Low169 Ų16998.2 Ų98.283%0.83351%0.511SS*.SBendtrans-113.5-13.8-164.5-64.8-57.5-129.100118.7
163I47.1Very low53.7Low100 Ų10098.9 Ų98.951%0.51352%0.515SS..SBendtrans-102.8-21.7-169.6-62171.9000114.8W160W160-I163 HydrophobicContact CH2-CB 3.73Å; W160-I163 HydrophobicContact CH2-CG2 4.05Å; W160-I163 HydrophobicContact CZ3-CB 3.84Å; W160-I163 HydrophobicContact CZ3-CG2 4.5Å
164F44.6Very low51.8Low23 Ų2399.4 Ų99.410%0.10152%0.523CS..SBendtrans-100.7-28.3-171.8-101.5-124.9000114.8F108 T112 L148 M152 W160 C166 K167 T168F108-F164 HydrophobicContact CB-CE1 4.3Å; F108-F164 HydrophobicContact CB-CZ 4.48Å; F108-F164 HydrophobicContact CG-CE1 4.45Å; T112-F164 HydrophobicContact CG2-CD2 3.62Å; T112-F164 HydrophobicContact CG2-CE1 4.25Å; T112-F164 HydrophobicContact CG2-CE2 2.91Å; T112-F164 HydrophobicContact CG2-CZ 3.27Å; L148-F164 HydrophobicContact CD2-CE1 4.33Å; L148-F164 HydrophobicContact CD2-CZ 3.59Å; L148-F164 HydrophobicContact CG-CZ 4.08Å; M152-F164 HydrophobicContact CE-CE2 3.9Å; M152-F164 HydrophobicContact CE-CZ 4.25Å; M152-F164 HydrophobicContact SD-CE2 4.25Å; W160-F164 HydrophobicContact CE3-CB 4.07Å; W160-F164 AromaticContact CE3-CD2 3.86Å; W160-F164 HydrophobicContact CE3-CD2 3.86Å; W160-F164 HydrophobicContact CE3-CE2 4.27Å; W160-F164 HydrophobicContact CE3-CG 4.2Å; W160-F164 HydrophobicContact CH2-CB 4.48Å; W160-F164 AromaticContact CH2-CD2 2.95Å; W160-F164 HydrophobicContact CH2-CD2 2.95Å; W160-F164 AromaticContact CH2-CE2 3.05Å; W160-F164 HydrophobicContact CH2-CE2 3.05Å; W160-F164 HydrophobicContact CH2-CG 4.04Å; W160-F164 HydrophobicContact CH2-CZ 4.34Å; W160-F164 AromaticContact CZ2-CD2 3.98Å; W160-F164 HydrophobicContact CZ2-CD2 3.98Å; W160-F164 AromaticContact CZ2-CE2 3.64Å; W160-F164 HydrophobicContact CZ2-CE2 3.64Å; W160-F164 HydrophobicContact CZ3-CB 3.56Å; W160-F164 AromaticContact CZ3-CD2 2.88Å; W160-F164 HydrophobicContact CZ3-CD2 2.88Å; W160-F164 AromaticContact CZ3-CE2 3.44Å; W160-F164 HydrophobicContact CZ3-CE2 3.44Å; W160-F164 VanDerWaalsContact CZ3-CE2 3.44Å; W160-F164 AromaticContact CZ3-CG 3.54Å; W160-F164 HydrophobicContact CZ3-CG 3.54Å; F164-C166 PolarHBondContact O-N 3.1Å; F164-K167 PolarHBondContact O-N 3.28Å; F164-K167 VanDerWaalsContact O-N 3.08Å; F164-T168 HydrophobicContact CD1-CG2 3.88Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.37Å; F164-T168 HydrophobicContact CE1-CG2 4.2Å; F164-T168 PolarHBondContact O-N 3.24Å; F164-T168 VanDerWaalsContact O-O 3.1Å; F164-T168 PolarHBondContact O-OG1 3.47Å
165A44.9Very low50Low70 Ų70100.7 Ų100.758%0.57953%0.527SS*.THydrogen-bonded Turntrans-58.5-24.418000000112.3
166C39.6Very low48.3Very low120 Ų12099.5 Ų99.581%0.81152%0.523SS*.THydrogen-bonded Turntrans-87.5-17.3-179.1-164.60000114.2F164F164-C166 PolarHBondContact O-N 3.1Å
167K42.1Very low46.9Very low141 Ų14194.7 Ų94.761%0.61351%0.508SS*.THydrogen-bonded Turntrans-124.3-16.3-173.9-71.2-171.7-176.9-178.70115.4A111 F164A111-K167 HydrophobicContact CB-CD 4.26Å; A111-K167 PolarHBondContact O-NZ 3.19Å; A111-K167 VanDerWaalsContact O-NZ 3.16Å; F164-K167 PolarHBondContact O-N 3.28Å; F164-K167 VanDerWaalsContact O-N 3.08Å
168T48.9Very low45.8Very low13 Ų1398 Ų988%0.0850%0.504CS..SBendtrans-131.9121.5175.861.10000105.8F108 F164 F170F108-T168 HydrophobicContact CD1-CG2 3.54Å; F108-T168 HydrophobicContact CE1-CG2 3.53Å; F108-T168 HydrophobicContact CG-CG2 4.49Å; F108-T168 HydrophobicContact CZ-CG2 4.45Å; F164-T168 HydrophobicContact CD1-CG2 3.88Å; F164-T168 WeakPolarHBondContact CD1-OG1 3.37Å; F164-T168 HydrophobicContact CE1-CG2 4.2Å; F164-T168 PolarHBondContact O-N 3.24Å; F164-T168 VanDerWaalsContact O-O 3.1Å; F164-T168 PolarHBondContact O-OG1 3.47Å; T168-F170 PolarHBondContact O-N 3.31Å
169E43.2Very low45.3Very low191 Ų19198.2 Ų98.289%0.89351%0.508SS*.SBendtrans-59.28.7179.7-63.7171.8167.300114.2I171E169-I171 VanDerWaalsContact C-N 3.3Å; E169-I171 PolarHBondContact O-N 2.91Å
170F47.5Very low44.9Very low69 Ų6991.1 Ų91.130%0.30347%0.47SS..  trans-77.678.2172.5-72.2-73000111.2S141 V142 T168 R172S141-F170 WeakPolarHBondContact OG-CE2 3.21Å; S141-F170 WeakPolarHBondContact OG-CZ 3.49Å; V142-F170 HydrophobicContact CG2-CD1 4.1Å; V142-F170 HydrophobicContact CG2-CE1 3.38Å; V142-F170 HydrophobicContact CG2-CZ 3.96Å; T168-F170 PolarHBondContact O-N 3.31Å; F170-R172 VanDerWaalsContact C-N 3.32Å; F170-R172 PolarHBondContact O-N 3.27Å
171I42.2Very low44.8Very low152 Ų15292.5 Ų92.578%0.77948%0.483SS*.SBendtrans-67.293.2159.4-59.1167.7000106.2E169E169-I171 VanDerWaalsContact C-N 3.3Å; E169-I171 PolarHBondContact O-N 2.91Å
172R44.4Very low44.4Very low211 Ų21190.2 Ų90.280%0.79647%0.472SS*.SBendtrans60.890.7-178.6-112179.6-138.4-175.83.1112.7F170F170-R172 VanDerWaalsContact C-N 3.32Å; F170-R172 PolarHBondContact O-N 3.27Å
173P45.6Very low44.3Very low16 Ų1689.3 Ų89.310%0.10446%0.459CS..  trans-55.2135.6160.323.9-29.6000107.6V142 L175V142-P173 HydrophobicContact CG1-CB 3.99Å; P173-L175 PolarHBondContact O-N 3.37Å
174P45.6Very low44Very low80 Ų8088 Ų8852%0.51945%0.45SS..  trans-50.5138.4178.218.5-28.9000108V176P174-V176 HydrophobicContact CB-CG2 3.77Å; P174-V176 HydrophobicContact CG-CG2 3.83Å; P174-V176 PolarHBondContact O-N 3.37Å
175L48.5Very low43.7Very low101 Ų10187.9 Ų87.953%0.52946%0.456SS..THydrogen-bonded Turntrans-68.542.9-178.8-65.6165.7000111.4P173 G177 F178P173-L175 PolarHBondContact O-N 3.37Å; L175-G177 PolarHBondContact O-N 2.94Å; L175-F178 HydrophobicContact CB-CB 4.27Å; L175-F178 HydrophobicContact CB-CD2 4.23Å; L175-F178 HydrophobicContact CD1-CD2 4.33Å; L175-F178 HydrophobicContact CD2-CD2 3.88Å; L175-F178 HydrophobicContact CD2-CE2 4.3Å; L175-F178 HydrophobicContact CG-CD2 4.37Å; L175-F178 WeakPolarHBondContact O-CB 3.44Å; L175-F178 PolarHBondContact O-N 2.89Å
176V47.3Very low43Very low53 Ų5387.1 Ų87.132%0.32145%0.449SS..THydrogen-bonded Turntrans-61.6-26.9172.9-159.50000109.5M135 I138 P174 F178M135-V176 HydrophobicContact CE-CG1 3.87Å; M135-V176 HydrophobicContact SD-CG1 4.26Å; I138-V176 HydrophobicContact CD1-CB 3.97Å; I138-V176 HydrophobicContact CD1-CG1 3.49Å; I138-V176 VanDerWaalsContact CD1-CG1 3.49Å; I138-V176 HydrophobicContact CD1-CG2 4.34Å; P174-V176 HydrophobicContact CB-CG2 3.77Å; P174-V176 HydrophobicContact CG-CG2 3.83Å; P174-V176 PolarHBondContact O-N 3.37Å; V176-F178 VanDerWaalsContact C-N 3.33Å; V176-F178 PolarHBondContact O-N 3.35Å
177G41.6Very low42.7Very low12 Ų1286.8 Ų86.812%0.12444%0.439CS..Hα-helixtrans-71-12.3170.500000116L175 N179 L180 V181L175-G177 PolarHBondContact O-N 2.94Å; G177-N179 VanDerWaalsContact C-N 3.26Å; G177-N179 PolarHBondContact O-N 3.06Å; G177-L180 PolarHBondContact O-N 2.95Å; G177-L180 VanDerWaalsContact O-N 3.1Å; G177-V181 WeakPolarHBondContact O-CG2 3.04Å; G177-V181 PolarHBondContact O-N 3.48Å
178F39.9Very low42.2Very low137 Ų13787.6 Ų87.660%0.60144%0.439SS*.Hα-helixtrans-67.6-31.2176.1-123.9-94.4000111.6L175 V176 S182L175-F178 HydrophobicContact CB-CB 4.27Å; L175-F178 HydrophobicContact CB-CD2 4.23Å; L175-F178 HydrophobicContact CD1-CD2 4.33Å; L175-F178 HydrophobicContact CD2-CD2 3.88Å; L175-F178 HydrophobicContact CD2-CE2 4.3Å; L175-F178 HydrophobicContact CG-CD2 4.37Å; L175-F178 WeakPolarHBondContact O-CB 3.44Å; L175-F178 PolarHBondContact O-N 2.89Å; V176-F178 VanDerWaalsContact C-N 3.33Å; V176-F178 PolarHBondContact O-N 3.35Å; F178-S182 VanDerWaalsContact O-CB 3.24Å; F178-S182 WeakPolarHBondContact O-CB 3.43Å; F178-S182 PolarHBondContact O-N 2.91Å; F178-S182 PolarHBondContact O-OG 3.48Å
179N43.6Very low41.3Very low100 Ų10092.4 Ų92.454%0.53546%0.463SS..Hα-helixtrans-71.2-30.2171.1-82.3-22000112.2G177 S182 R183G177-N179 VanDerWaalsContact C-N 3.26Å; G177-N179 PolarHBondContact O-N 3.06Å; N179-S182 WeakPolarHBondContact CA-OG 3.3Å; N179-S182 PolarHBondContact O-OG 3.29Å; N179-R183 WeakPolarHBondContact O-CB 3.2Å; N179-R183 WeakPolarHBondContact O-CD 3.34Å; N179-R183 WeakPolarHBondContact O-CG 3.32Å; N179-R183 PolarHBondContact O-N 2.96Å
180L46.2Very low40.6Very low5 Ų589.3 Ų89.33%0.02645%0.452CS..Hα-helixtrans-71-46.2170.2-93.9114.9000111.2M129 M135 G177 S182 R183 F184M129-L180 HydrophobicContact CG-CD1 4.27Å; M129-L180 HydrophobicContact CG-CD2 4.11Å; M135-L180 HydrophobicContact CE-CD1 3.38Å; M135-L180 HydrophobicContact CG-CD1 4.18Å; M135-L180 HydrophobicContact SD-CD1 3.5Å; M135-L180 VanDerWaalsContact SD-CD1 3.5Å; G177-L180 PolarHBondContact O-N 2.95Å; G177-L180 VanDerWaalsContact O-N 3.1Å; L180-S182 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.47Å; L180-R183 PolarHBondContact O-N 2.84Å; L180-F184 HydrophobicContact CB-CD2 4.15Å; L180-F184 HydrophobicContact CD2-CD2 3.75Å; L180-F184 HydrophobicContact CD2-CE2 3.52Å; L180-F184 HydrophobicContact CG-CD2 4.07Å; L180-F184 HydrophobicContact CG-CE2 3.98Å; L180-F184 WeakPolarHBondContact O-CA 3.41Å; L180-F184 VanDerWaalsContact O-CB 3.22Å; L180-F184 WeakPolarHBondContact O-CB 3.36Å; L180-F184 VanDerWaalsContact O-CD2 3.25Å; L180-F184 WeakPolarHBondContact O-CD2 3.36Å; L180-F184 PolarHBondContact O-N 3.43Å
181V46.8Very low39.7Very low70 Ų7090.5 Ų90.542%0.42447%0.468SS..Hα-helixtrans-67.3-32.7178.9178.10000111.3I150 G177 G185I150-V181 HydrophobicContact CD1-CG2 4.08Å; I150-V181 HydrophobicContact CG1-CG2 3.92Å; I150-V181 HydrophobicContact CG2-CG2 4.07Å; G177-V181 WeakPolarHBondContact O-CG2 3.04Å; G177-V181 PolarHBondContact O-N 3.48Å; V181-G185 WeakPolarHBondContact O-CA 3.37Å; V181-G185 PolarHBondContact O-N 2.96Å
182S39.5Very low39.2Very low62 Ų6286.7 Ų86.743%0.43445%0.454SS..Hα-helixtrans-74.9-42.4173.6690000112.4F178 N179 L180 A186F178-S182 VanDerWaalsContact O-CB 3.24Å; F178-S182 WeakPolarHBondContact O-CB 3.43Å; F178-S182 PolarHBondContact O-N 2.91Å; F178-S182 PolarHBondContact O-OG 3.48Å; N179-S182 WeakPolarHBondContact CA-OG 3.3Å; N179-S182 PolarHBondContact O-OG 3.29Å; L180-S182 VanDerWaalsContact C-N 3.31Å; L180-S182 PolarHBondContact O-N 3.47Å; S182-A186 WeakPolarHBondContact O-CB 3.36Å; S182-A186 PolarHBondContact O-N 2.88Å
183R40.8Very low38.5Very low149 Ų14981.3 Ų81.356%0.56245%0.448SS*.Hα-helixtrans-70.5-40.7178.6-72.3173.7173.6-166.6-3.8112.8D132 N179 L180D132-R183 IonicContact OD2-NH1 3.52Å; N179-R183 WeakPolarHBondContact O-CB 3.2Å; N179-R183 WeakPolarHBondContact O-CD 3.34Å; N179-R183 WeakPolarHBondContact O-CG 3.32Å; N179-R183 PolarHBondContact O-N 2.96Å; L180-R183 PolarHBondContact O-N 2.84Å
184F42Very low37.7Very low73 Ų7391.7 Ų91.732%0.3249%0.485SS..Hα-helixtrans-90.3-28.2179.1-68.7-78.3000112.8L128 L180 A186 L187 Y188L128-F184 HydrophobicContact CD1-CE1 4.38Å; L128-F184 HydrophobicContact CD2-CE1 4.48Å; L180-F184 HydrophobicContact CB-CD2 4.15Å; L180-F184 HydrophobicContact CD2-CD2 3.75Å; L180-F184 HydrophobicContact CD2-CE2 3.52Å; L180-F184 HydrophobicContact CG-CD2 4.07Å; L180-F184 HydrophobicContact CG-CE2 3.98Å; L180-F184 WeakPolarHBondContact O-CA 3.41Å; L180-F184 VanDerWaalsContact O-CB 3.22Å; L180-F184 WeakPolarHBondContact O-CB 3.36Å; L180-F184 VanDerWaalsContact O-CD2 3.25Å; L180-F184 WeakPolarHBondContact O-CD2 3.36Å; L180-F184 PolarHBondContact O-N 3.43Å; F184-A186 VanDerWaalsContact C-N 3.28Å; F184-A186 PolarHBondContact O-N 3.34Å; F184-L187 HydrophobicContact CD1-CD1 4.49Å; F184-L187 PolarHBondContact O-N 3.01Å; F184-L187 VanDerWaalsContact O-N 3.11Å; F184-Y188 PolarHBondContact O-N 3.14Å
185G36.5Very low37.1Very low21 Ų2192.8 Ų92.822%0.21649%0.494CS..Hα-helixtrans-63.2-34.6170.400000112V181 L187 Y188 I189V181-G185 WeakPolarHBondContact O-CA 3.37Å; V181-G185 PolarHBondContact O-N 2.96Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 3.33Å; G185-Y188 PolarHBondContact O-N 2.98Å; G185-I189 VanDerWaalsContact O-CB 3.27Å; G185-I189 WeakPolarHBondContact O-CB 3.27Å; G185-I189 WeakPolarHBondContact O-CD1 3.33Å; G185-I189 WeakPolarHBondContact O-CG1 3.44Å; G185-I189 PolarHBondContact O-N 3.23Å
186A31.9Very low36.3Very low53 Ų53102.2 Ų102.244%0.43852%0.522SS..Hα-helixtrans-61.6-4017000000112.4S182 F184 L190S182-A186 WeakPolarHBondContact O-CB 3.36Å; S182-A186 PolarHBondContact O-N 2.88Å; F184-A186 VanDerWaalsContact C-N 3.28Å; F184-A186 PolarHBondContact O-N 3.34Å; A186-L190 VanDerWaalsContact O-CB 3.3Å; A186-L190 WeakPolarHBondContact O-CB 3.3Å; A186-L190 VanDerWaalsContact O-CD1 3.32Å; A186-L190 WeakPolarHBondContact O-CD1 3.42Å; A186-L190 WeakPolarHBondContact O-CG 3.32Å; A186-L190 PolarHBondContact O-N 3.41Å; A186-L190 VanDerWaalsContact O-N 3.1Å
187L33Very low35.8Very low113 Ų113104.7 Ų104.759%0.59253%0.532SS*.Hα-helixtrans-71.6-37.5176.6-90.5145.9000113F184 G185 C191F184-L187 HydrophobicContact CD1-CD1 4.49Å; F184-L187 PolarHBondContact O-N 3.01Å; F184-L187 VanDerWaalsContact O-N 3.11Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 3.33Å; L187-C191 WeakPolarHBondContact O-CB 3.15Å; L187-C191 PolarHBondContact O-N 2.96Å; L187-C191 VanDerWaalsContact O-N 3.09Å
188Y30.7Very low35.4Very low159 Ų159109.5 Ų109.562%0.62455%0.554SS**Hα-helixtrans-75-36.9179.1-154.9-95.8000112.3F184 G185 C191 C192F184-Y188 PolarHBondContact O-N 3.14Å; G185-Y188 PolarHBondContact O-N 2.98Å; Y188-C191 PolarHBondContact O-N 3.25Å; Y188-C192 PolarHBondContact O-N 3.09Å
189I31.3Very low35.2Very low113 Ų113108 Ų10858%0.57955%0.551SS**Hα-helixtrans-66.7-39.3172.7-67.3167.1000110.6G185 C191 C193G185-I189 VanDerWaalsContact O-CB 3.27Å; G185-I189 WeakPolarHBondContact O-CB 3.27Å; G185-I189 WeakPolarHBondContact O-CD1 3.33Å; G185-I189 WeakPolarHBondContact O-CG1 3.44Å; G185-I189 PolarHBondContact O-N 3.23Å; I189-C191 VanDerWaalsContact C-N 3.32Å; I189-C191 PolarHBondContact O-N 3Å; I189-C193 WeakPolarHBondContact O-CB 3.49Å; I189-C193 PolarHBondContact O-N 3.44Å; I189-C193 PolarHBondContact O-SG 3.44Å
190L27Very low34.7Very low126 Ų126108.5 Ų108.566%0.6655%0.552SS**Hα-helixtrans-67.7-28.8175.1-78.1166.4000113.5A186A186-L190 VanDerWaalsContact O-CB 3.3Å; A186-L190 WeakPolarHBondContact O-CB 3.3Å; A186-L190 VanDerWaalsContact O-CD1 3.32Å; A186-L190 WeakPolarHBondContact O-CD1 3.42Å; A186-L190 WeakPolarHBondContact O-CG 3.32Å; A186-L190 PolarHBondContact O-N 3.41Å; A186-L190 VanDerWaalsContact O-N 3.1Å
191C30.2Very low34Very low95 Ų95114.9 Ų114.964%0.64259%0.585SS**Hα-helixtrans-81.6-38.3176.9-136.10000112.2L187 Y188 I189 R194L187-C191 WeakPolarHBondContact O-CB 3.15Å; L187-C191 PolarHBondContact O-N 2.96Å; L187-C191 VanDerWaalsContact O-N 3.09Å; Y188-C191 PolarHBondContact O-N 3.25Å; I189-C191 VanDerWaalsContact C-N 3.32Å; I189-C191 PolarHBondContact O-N 3Å; C191-R194 PolarHBondContact O-N 3.36Å
192C30.2Very low33.1Very low72 Ų72117.9 Ų117.949%0.48660%0.596SS.*Hα-helixtrans-73.5-28.3175.8-80.70000113.8Y188 R194Y188-C192 PolarHBondContact O-N 3.09Å; C192-R194 PolarHBondContact O-N 3.5Å
193C29.7Very low32.7Very low98 Ų98121.9 Ų121.966%0.66261%0.608SS**THydrogen-bonded Turntrans-76-4.2174.8-78.80000114.4I189I189-C193 WeakPolarHBondContact O-CB 3.49Å; I189-C193 PolarHBondContact O-N 3.44Å; I189-C193 PolarHBondContact O-SG 3.44Å
194R30.2Very low32Very low234 Ų234119.8 Ų119.888%0.88361%0.611SS**THydrogen-bonded Turntrans-108.66.8179.2-133.9172.2-175172.70.5114C191 C192C191-R194 PolarHBondContact O-N 3.36Å; C192-R194 PolarHBondContact O-N 3.5Å
195S32.7Very low31.2Very low102 Ų102123.8 Ų123.871%0.71364%0.635SS**  trans-124.318.4-176.5178.30000113.5
196R31.3Very low30.7Very low299 Ų299133.1 Ų133.1100%1.12867%0.673SS**  trans-126.30164-75.2-172-176-174.81.9108.4

Retrieved 196 of 196 residues in 150.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).