A0A060Z0S9_ONCMY Loading...

MOB-like protein phocein

Part of the striatin-interacting phosphatase and kinase (STRIPAK) complexes. STRIPAK complexes have critical roles in protein (de)phosphorylation and are regulators of multiple signaling pathways including Hippo, MAPK, nuclear receptor and cytoskeleton remodeling. Different types of STRIPAK complexes are involved in a variety of biological processes such as cell growth, differentiation, apoptosis, metabolism and immune regulation.

AlphaFold DB (A0A673XR26), UniProt , Accession A0A060Z0S9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520238, Length 225 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low56Low233 Ų233127.2 Ų127.2100%1.14875%0.75SS**  095.50-154.7168.5-174.800105.7M3M1-M3 PolarHBondContact O-N 3.19Å
2V36.3Very low58.4Low148 Ų148131.2 Ų131.290%0.89774%0.743SS**  trans-79.6110.2-179178.90000105.8A4V2-A4 PolarHBondContact O-N 3.36Å
3M40.7Very low60.8Low166 Ų166123.3 Ų123.382%0.81870%0.698SS**  trans-61.2117.2171.1-63.9-71.9-87.800106.4M1 E5M1-M3 PolarHBondContact O-N 3.19Å; M3-E5 PolarHBondContact O-N 3.03Å
4A43.8Very low62.8Low97 Ų97129.1 Ų129.180%0.80270%0.703SS**  trans-60.8110.717300000107.6V2 G6V2-A4 PolarHBondContact O-N 3.36Å; A4-G6 PolarHBondContact O-N 3.23Å
5E47.5Very low64.8Low187 Ų187129 Ų12987%0.87471%0.711SS**  trans-54.9109.3165.1-75.8174151.900106.9M3 T7M3-E5 PolarHBondContact O-N 3.03Å; E5-T7 PolarHBondContact O-N 3.43Å; E5-T7 VanDerWaalsContact O-N 3.17Å
6G54.8Low66.6Low68 Ų68125.8 Ų125.870%0.70172%0.717SS**  trans-51.4125170.900000107.7A4 A8A4-G6 PolarHBondContact O-N 3.23Å; G6-A8 PolarHBondContact O-N 2.99Å
7T58.9Low68.1Low135 Ų135121.2 Ų121.283%0.82869%0.692SS**  trans-61.1107.7-175.5-24.30000107.4E5 V9E5-T7 PolarHBondContact O-N 3.43Å; E5-T7 VanDerWaalsContact O-N 3.17Å; T7-V9 PolarHBondContact O-N 3.17Å
8A66.3Low69.5Low88 Ų88121.9 Ų121.973%0.72769%0.686SS**  trans-53.1117.8-178.700000109.2G6 L10G6-A8 PolarHBondContact O-N 2.99Å; A8-L10 PolarHBondContact O-N 3.39Å
9V73.1Confident70.5Confident95 Ų95120.5 Ų120.558%0.57669%0.691SS**  trans-71.5101.6-177.9178.30000107.9T7 R11 P26T7-V9 PolarHBondContact O-N 3.17Å; V9-R11 PolarHBondContact O-N 2.91Å; V9-P26 HydrophobicContact CG1-CG 4.36Å
10L75Confident71.4Confident134 Ų134122.3 Ų122.370%0.70269%0.691SS**  trans-7599.2-178.7-145.6105.4000109.9A8 R12A8-L10 PolarHBondContact O-N 3.39Å; L10-R12 HydrophobicContact CD2-CB 4.01Å; L10-R12 PolarHBondContact O-N 2.72Å
11R82.9Confident72.2Confident48 Ų48119.7 Ų119.718%0.18168%0.675CS.*  trans-69.464.7176.8-69.5-173.295.889.46.9112.5V9 W25 P26 E28V9-R11 PolarHBondContact O-N 2.91Å; R11-W25 VanDerWaalsContact C-CZ2 3.47Å; R11-W25 HydrophobicContact CB-CD2 3.89Å; R11-W25 HydrophobicContact CB-CE3 3.45Å; R11-W25 VanDerWaalsContact CB-CE3 3.45Å; R11-W25 HydrophobicContact CB-CH2 4.15Å; R11-W25 HydrophobicContact CB-CZ3 3.6Å; R11-W25 HydrophobicContact CG-CB 4.46Å; R11-W25 HydrophobicContact CG-CD2 4.19Å; R11-W25 HydrophobicContact CG-CE3 3.69Å; R11-W25 HydrophobicContact CG-CZ3 4.23Å; R11-W25 VanDerWaalsContact O-CH2 3.24Å; R11-W25 WeakPolarHBondContact O-CH2 3.5Å; R11-W25 WeakPolarHBondContact O-CZ2 3.32Å; R11-P26 VanDerWaalsContact CZ-O 3.29Å; R11-P26 PolarHBondContact NH1-O 2.92Å; R11-P26 PolarHBondContact NH2-O 3.41Å; R11-P26 VanDerWaalsContact NH2-O 3.12Å; R11-E28 IonicContact NH1-OE2 3.48Å
12R84.6Confident74.6Confident175 Ų175113 Ų11366%0.6664%0.64SS**  trans-140.4129.4-178.3-175.6179.3175.6-178.51.1111.7L10 R14L10-R12 HydrophobicContact CD2-CB 4.01Å; L10-R12 PolarHBondContact O-N 2.72Å; R12-R14 PolarHBondContact O-N 3.49Å
13N89.2Confident77.1Confident29 Ų29110.4 Ų110.416%0.15562%0.615CS.*PPolyproline II helixtrans-71.1128.7169.3-61.8-33.2000109.7F22 Y23 W25N13-F22 HydrophobicContact CB-CD2 3.84Å; N13-F22 HydrophobicContact CB-CE2 3.66Å; N13-F22 HydrophobicContact CB-CZ 4.42Å; N13-F22 WeakPolarHBondContact ND2-CD2 3.48Å; N13-F22 WeakPolarHBondContact ND2-CE1 3.15Å; N13-F22 WeakPolarHBondContact ND2-CE2 3.41Å; N13-F22 WeakPolarHBondContact ND2-CG 3.22Å; N13-F22 WeakPolarHBondContact ND2-CZ 3.4Å; N13-Y23 WeakPolarHBondContact ND2-CD1 3.38Å; N13-Y23 WeakPolarHBondContact ND2-CE1 3.28Å; N13-Y23 PolarHBondContact ND2-N 3.47Å; N13-Y23 PolarHBondContact OD1-N 2.61Å; N13-W25 PolarHBondContact OD1-NE1 2.95Å; N13-W25 VanDerWaalsContact OD1-NE1 3.14Å
14R89.4Confident79.3Confident204 Ų204108.4 Ų108.477%0.7761%0.607SS**PPolyproline II helixtrans-81.2154.2179.1-65.7-172.4179.7-153.30.6110R12 G16 T17R12-R14 PolarHBondContact O-N 3.49Å; R14-G16 PolarHBondContact O-N 2.95Å; R14-T17 PolarHBondContact N-OG1 3.11Å; R14-T17 VanDerWaalsContact N-OG1 3.07Å; R14-T17 WeakPolarHBondContact O-CB 3.36Å; R14-T17 PolarHBondContact O-N 3.38Å; R14-T17 PolarHBondContact O-OG1 3.07Å
15P92.9Very high81.4Confident128 Ų128106.2 Ų106.283%0.83158%0.578SS**THydrogen-bonded Turntrans-52.4129.9169.6-25.835.2000110.7
16G93.1Very high83.4Confident78 Ų78101.4 Ų101.480%0.80456%0.563SS**THydrogen-bonded Turntrans82.54.5-177.300000115.8R14 K18R14-G16 PolarHBondContact O-N 2.95Å; G16-K18 PolarHBondContact O-N 3.2Å
17T92.3Very high85.1Confident47 Ų47103.1 Ų103.129%0.28856%0.556SS.*  trans-56.1125.3170.1-68.60000109.9R14 D21 F22R14-T17 PolarHBondContact N-OG1 3.11Å; R14-T17 VanDerWaalsContact N-OG1 3.07Å; R14-T17 WeakPolarHBondContact O-CB 3.36Å; R14-T17 PolarHBondContact O-N 3.38Å; R14-T17 PolarHBondContact O-OG1 3.07Å; T17-D21 HydrophobicContact CG2-CB 3.95Å; T17-D21 WeakPolarHBondContact CG2-O 3.33Å; T17-F22 HydrophobicContact CG2-CB 4.42Å; T17-F22 HydrophobicContact CG2-CD2 4.16Å
18K92.9Very high86.6Confident134 Ų13499.5 Ų99.558%0.58353%0.53SS*.  trans-66.8152.5178-63.2179.8177.3-179.40109.8G16 K20 D21 F22G16-K18 PolarHBondContact O-N 3.2Å; K18-K20 HydrophobicContact CB-CG 4.02Å; K18-K20 PolarHBondContact O-N 2.9Å; K18-K20 VanDerWaalsContact O-N 3.15Å; K18-D21 CarbonylContact O-C 3.6Å; K18-D21 PolarHBondContact O-N 3.12Å; K18-F22 PolarHBondContact O-N 3.03Å; K18-F22 VanDerWaalsContact O-N 3.15Å
19A88.1Confident87.9Confident96 Ų9697.9 Ų97.979%0.79351%0.513SS*.G310 helixtrans-51.7-40.4178.100000112.9D21 F22A19-D21 VanDerWaalsContact C-N 3.26Å; A19-D21 PolarHBondContact O-N 2.72Å; A19-F22 VanDerWaalsContact O-CB 3.24Å; A19-F22 WeakPolarHBondContact O-CB 3.17Å; A19-F22 PolarHBondContact O-N 3.38Å
20K88.8Confident88.8Confident156 Ų15695.8 Ų95.868%0.67850%0.496SS*.G310 helixtrans-65.7-22.8177.664.4166-166.6165.30115K18K18-K20 HydrophobicContact CB-CG 4.02Å; K18-K20 PolarHBondContact O-N 2.9Å; K18-K20 VanDerWaalsContact O-N 3.15Å
21D88Confident89.5Confident67 Ų6798.4 Ų98.436%0.35851%0.505SS..G310 helixtrans-104.11.5-177.8-54.3-47.4000110.7T17 K18 A19 N24T17-D21 HydrophobicContact CG2-CB 3.95Å; T17-D21 WeakPolarHBondContact CG2-O 3.33Å; K18-D21 CarbonylContact O-C 3.6Å; K18-D21 PolarHBondContact O-N 3.12Å; A19-D21 VanDerWaalsContact C-N 3.26Å; A19-D21 PolarHBondContact O-N 2.72Å; D21-N24 PolarHBondContact O-N 2.94Å
22F89.4Confident89.9Confident94 Ų94102.1 Ų102.141%0.41252%0.524SS..THydrogen-bonded Turntrans-75.8128.2-175.9-157.3-107.2000110N13 T17 K18 A19 N24N13-F22 HydrophobicContact CB-CD2 3.84Å; N13-F22 HydrophobicContact CB-CE2 3.66Å; N13-F22 HydrophobicContact CB-CZ 4.42Å; N13-F22 WeakPolarHBondContact ND2-CD2 3.48Å; N13-F22 WeakPolarHBondContact ND2-CE1 3.15Å; N13-F22 WeakPolarHBondContact ND2-CE2 3.41Å; N13-F22 WeakPolarHBondContact ND2-CG 3.22Å; N13-F22 WeakPolarHBondContact ND2-CZ 3.4Å; T17-F22 HydrophobicContact CG2-CB 4.42Å; T17-F22 HydrophobicContact CG2-CD2 4.16Å; K18-F22 PolarHBondContact O-N 3.03Å; K18-F22 VanDerWaalsContact O-N 3.15Å; A19-F22 VanDerWaalsContact O-CB 3.24Å; A19-F22 WeakPolarHBondContact O-CB 3.17Å; A19-F22 PolarHBondContact O-N 3.38Å; F22-N24 PolarHBondContact O-N 3.05Å
23Y87.9Confident90.1Very high93 Ų9394.4 Ų94.437%0.36550%0.496SS..THydrogen-bonded Turntrans60.216.8-173.5-51.3-54.4000115.2N13 W25N13-Y23 WeakPolarHBondContact ND2-CD1 3.38Å; N13-Y23 WeakPolarHBondContact ND2-CE1 3.28Å; N13-Y23 PolarHBondContact ND2-N 3.47Å; N13-Y23 PolarHBondContact OD1-N 2.61Å; Y23-W25 AromaticContact CD1-CH2 3.66Å; Y23-W25 HydrophobicContact CD1-CH2 3.66Å; Y23-W25 AromaticContact CD1-CZ2 3.58Å; Y23-W25 HydrophobicContact CD1-CZ2 3.58Å; Y23-W25 HydrophobicContact CD1-CZ3 4.4Å; Y23-W25 HydrophobicContact CE1-CH2 4.17Å; Y23-W25 HydrophobicContact CE1-CZ2 4.24Å; Y23-W25 PolarHBondContact O-N 2.91Å
24N87.1Confident89.8Confident124 Ų124101.2 Ų101.266%0.66353%0.532SS*.  trans-8360.6178.8-168.727.2000111.3D21 F22D21-N24 PolarHBondContact O-N 2.94Å; F22-N24 PolarHBondContact O-N 3.05Å
25W87.9Confident89.7Confident51 Ų5193.7 Ų93.719%0.19351%0.511CS..  trans-104.9153.8176.7-33-41.1000108.7R11 N13 Y23R11-W25 VanDerWaalsContact C-CZ2 3.47Å; R11-W25 HydrophobicContact CB-CD2 3.89Å; R11-W25 HydrophobicContact CB-CE3 3.45Å; R11-W25 VanDerWaalsContact CB-CE3 3.45Å; R11-W25 HydrophobicContact CB-CH2 4.15Å; R11-W25 HydrophobicContact CB-CZ3 3.6Å; R11-W25 HydrophobicContact CG-CB 4.46Å; R11-W25 HydrophobicContact CG-CD2 4.19Å; R11-W25 HydrophobicContact CG-CE3 3.69Å; R11-W25 HydrophobicContact CG-CZ3 4.23Å; R11-W25 VanDerWaalsContact O-CH2 3.24Å; R11-W25 WeakPolarHBondContact O-CH2 3.5Å; R11-W25 WeakPolarHBondContact O-CZ2 3.32Å; N13-W25 PolarHBondContact OD1-NE1 2.95Å; N13-W25 VanDerWaalsContact OD1-NE1 3.14Å; Y23-W25 AromaticContact CD1-CH2 3.66Å; Y23-W25 HydrophobicContact CD1-CH2 3.66Å; Y23-W25 AromaticContact CD1-CZ2 3.58Å; Y23-W25 HydrophobicContact CD1-CZ2 3.58Å; Y23-W25 HydrophobicContact CD1-CZ3 4.4Å; Y23-W25 HydrophobicContact CE1-CH2 4.17Å; Y23-W25 HydrophobicContact CE1-CZ2 4.24Å; Y23-W25 PolarHBondContact O-N 2.91Å
26P89.1Confident89.5Confident86 Ų8692.6 Ų92.656%0.55850%0.502SS*.  trans-52.5146.1173.5-25.334000112.2V9 R11V9-P26 HydrophobicContact CG1-CG 4.36Å; R11-P26 VanDerWaalsContact CZ-O 3.29Å; R11-P26 PolarHBondContact NH1-O 2.92Å; R11-P26 PolarHBondContact NH2-O 3.41Å; R11-P26 VanDerWaalsContact NH2-O 3.12Å
27D90.6Very high89.4Confident104 Ų10491.6 Ų91.656%0.55648%0.478SS*.  trans-66.2141.4172.9-76.3-4.9000110Q45D27-Q45 HydrophobicContact CB-CG 4.32Å; D27-Q45 WeakPolarHBondContact OD1-CG 3.28Å
28E90.9Very high89.4Confident59 Ų5990 Ų9028%0.27647%0.47SS..  trans-119.9146177.4178.2171.6-107.900108.7R11 E32 M33 Q45R11-E28 IonicContact NH1-OE2 3.48Å; E28-E32 HydrophobicContact CG-CB 3.6Å; E28-M33 HydrophobicContact CB-CE 4.35Å; E28-M33 HydrophobicContact CG-CG 4.18Å; E28-M33 VanDerWaalsContact O-CE 3.28Å; E28-M33 WeakPolarHBondContact O-CE 3.3Å; E28-Q45 PolarHBondContact O-NE2 3.38Å
29S92.3Very high89.6Confident53 Ų5384.2 Ų84.237%0.37145%0.446SS..  trans-69.5153.2175.969.60000110.2E31 E32 M33S29-E31 PolarHBondContact O-N 3.46Å; S29-E32 PolarHBondContact N-OE2 3.09Å; S29-E32 PolarHBondContact O-N 2.99Å; S29-E32 VanDerWaalsContact OG-CG 3.22Å; S29-E32 WeakPolarHBondContact OG-CG 3.46Å; S29-E32 PolarHBondContact OG-OE2 3.31Å; S29-M33 WeakPolarHBondContact O-CG 3.49Å; S29-M33 PolarHBondContact O-N 2.91Å
30F92.2Very high89.9Confident51 Ų5181.3 Ų81.322%0.22442%0.416CS..G310 helixtrans-60.6-34.4-179-174.8-105.8000112.6E32 M33 A38 V39 Y42 P61F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.36Å; F30-M33 HydrophobicContact CD2-SD 4.35Å; F30-M33 WeakPolarHBondContact O-CB 3.5Å; F30-M33 PolarHBondContact O-N 3.49Å; F30-A38 HydrophobicContact CE2-CB 4.08Å; F30-V39 HydrophobicContact CE2-CG2 4.09Å; F30-V39 HydrophobicContact CZ-CG2 4Å; F30-Y42 HydrophobicContact CB-CD2 4Å; F30-Y42 HydrophobicContact CB-CE2 4.12Å; F30-Y42 HydrophobicContact CD2-CD1 4.42Å; F30-Y42 AromaticContact CD2-CD2 3.93Å; F30-Y42 HydrophobicContact CD2-CD2 3.93Å; F30-Y42 AromaticContact CD2-CG 3.79Å; F30-Y42 HydrophobicContact CD2-CG 3.79Å; F30-Y42 HydrophobicContact CE2-CG 4.47Å; F30-Y42 HydrophobicContact CG-CD2 4.41Å; F30-P61 HydrophobicContact CB-CB 4.25Å; F30-P61 HydrophobicContact CB-CG 4.16Å; F30-P61 HydrophobicContact CD1-CB 3.38Å; F30-P61 HydrophobicContact CD1-CG 3.66Å; F30-P61 HydrophobicContact CD2-CB 4.34Å; F30-P61 HydrophobicContact CD2-CG 3.67Å; F30-P61 HydrophobicContact CE1-CB 3.72Å; F30-P61 HydrophobicContact CE1-CG 3.89Å; F30-P61 HydrophobicContact CE2-CG 3.91Å; F30-P61 HydrophobicContact CG-CB 3.72Å; F30-P61 HydrophobicContact CG-CG 3.53Å; F30-P61 HydrophobicContact CZ-CB 4.34Å; F30-P61 HydrophobicContact CZ-CG 4.01Å
31E90.9Very high90.2Very high189 Ų18976.1 Ų76.188%0.88339%0.394SS*.G310 helixtrans-65.9-29.1179.2-64.3174.3-168.200113.1S29S29-E31 PolarHBondContact O-N 3.46Å
32E89.7Confident90.5Very high126 Ų12675.1 Ų75.159%0.58939%0.385SS*.G310 helixtrans-86.2-10.6179.2-69.5168.7144.200112.7E28 S29 F30 D34E28-E32 HydrophobicContact CG-CB 3.6Å; S29-E32 PolarHBondContact N-OE2 3.09Å; S29-E32 PolarHBondContact O-N 2.99Å; S29-E32 VanDerWaalsContact OG-CG 3.22Å; S29-E32 WeakPolarHBondContact OG-CG 3.46Å; S29-E32 PolarHBondContact OG-OE2 3.31Å; F30-E32 VanDerWaalsContact C-N 3.28Å; F30-E32 PolarHBondContact O-N 3.36Å; E32-D34 PolarHBondContact O-N 3.04Å
33M89.8Confident90.9Very high13 Ų1370.7 Ų70.76%0.06437%0.366CS..  trans-75.684.4179.2-66.4-174.3-172.100111.6E28 S29 F30 S35 A38 Q41 Y42E28-M33 HydrophobicContact CB-CE 4.35Å; E28-M33 HydrophobicContact CG-CG 4.18Å; E28-M33 VanDerWaalsContact O-CE 3.28Å; E28-M33 WeakPolarHBondContact O-CE 3.3Å; S29-M33 WeakPolarHBondContact O-CG 3.49Å; S29-M33 PolarHBondContact O-N 2.91Å; F30-M33 HydrophobicContact CD2-SD 4.35Å; F30-M33 WeakPolarHBondContact O-CB 3.5Å; F30-M33 PolarHBondContact O-N 3.49Å; M33-S35 VanDerWaalsContact C-N 3.31Å; M33-S35 PolarHBondContact O-N 3.23Å; M33-A38 HydrophobicContact CB-CB 3.73Å; M33-A38 WeakPolarHBondContact O-CB 3.43Å; M33-Q41 HydrophobicContact SD-CB 4.05Å; M33-Y42 HydrophobicContact CE-CD2 4.16Å
34D82.9Confident91.3Very high172 Ų17267.7 Ų67.792%0.9236%0.355SS*.  trans-80.974.7174.8-170.215.6000111.5E32E32-D34 PolarHBondContact O-N 3.04Å
35S87.2Confident91.7Very high47 Ų4762.2 Ų62.233%0.32933%0.326SS..SBendtrans-151.7148.3177.7-168.90000113M33 L37 A38M33-S35 VanDerWaalsContact C-N 3.31Å; M33-S35 PolarHBondContact O-N 3.23Å; S35-L37 PolarHBondContact O-N 3.44Å; S35-L37 PolarHBondContact OG-N 3.39Å; S35-A38 WeakPolarHBondContact O-CB 3.41Å; S35-A38 PolarHBondContact O-N 3.49Å
36T87.6Confident92.1Very high104 Ų10460.2 Ų60.264%0.63832%0.319SS*.THydrogen-bonded Turntrans-63.9-8166.757.80000113.3
37L91.1Very high92.5Very high58 Ų5857.1 Ų57.130%0.30430%0.297SS..THydrogen-bonded Turntrans-107.810.4176.7-55.2-177.2000113.1S35 V39 Q40 Q41S35-L37 PolarHBondContact O-N 3.44Å; S35-L37 PolarHBondContact OG-N 3.39Å; L37-V39 VanDerWaalsContact C-N 3.32Å; L37-V39 PolarHBondContact O-N 3.44Å; L37-Q40 WeakPolarHBondContact O-CA 3.38Å; L37-Q40 WeakPolarHBondContact O-CB 3.44Å; L37-Q40 PolarHBondContact O-N 3.4Å; L37-Q41 HydrophobicContact CB-CG 4.35Å; L37-Q41 WeakPolarHBondContact O-CG 3.22Å; L37-Q41 PolarHBondContact O-N 3.17Å
38A93.6Very high92.6Very high13 Ų1356.9 Ų56.911%0.10729%0.288CS..Hα-helixtrans-50.4-48.4-174.600000112.8F30 M33 S35 Q40 Q41 Y42F30-A38 HydrophobicContact CE2-CB 4.08Å; M33-A38 HydrophobicContact CB-CB 3.73Å; M33-A38 WeakPolarHBondContact O-CB 3.43Å; S35-A38 WeakPolarHBondContact O-CB 3.41Å; S35-A38 PolarHBondContact O-N 3.49Å; A38-Q40 PolarHBondContact O-N 2.89Å; A38-Q41 PolarHBondContact O-N 3.25Å; A38-Y42 WeakPolarHBondContact O-CB 3.32Å; A38-Y42 PolarHBondContact O-N 2.93Å
39V96.1Very high92.8Very high13 Ų1357.1 Ų57.18%0.07930%0.297CS..Hα-helixtrans-60.6-44178.21790000112F30 L37 Y42 I43 Q64 V68 W69 E72F30-V39 HydrophobicContact CE2-CG2 4.09Å; F30-V39 HydrophobicContact CZ-CG2 4Å; L37-V39 VanDerWaalsContact C-N 3.32Å; L37-V39 PolarHBondContact O-N 3.44Å; V39-Y42 PolarHBondContact O-N 2.83Å; V39-I43 HydrophobicContact CG1-CD1 3.92Å; V39-I43 VanDerWaalsContact O-CG1 3.26Å; V39-I43 WeakPolarHBondContact O-CG1 3.48Å; V39-I43 PolarHBondContact O-N 2.98Å; V39-Q64 HydrophobicContact CG2-CG 4.45Å; V39-V68 HydrophobicContact CB-CG1 4.36Å; V39-V68 HydrophobicContact CG1-CG1 4.46Å; V39-V68 HydrophobicContact CG2-CG1 3.92Å; V39-W69 HydrophobicContact CG1-CE3 3.63Å; V39-W69 HydrophobicContact CG1-CZ3 3.94Å; V39-E72 HydrophobicContact CB-CB 4.41Å; V39-E72 HydrophobicContact CB-CG 4.13Å; V39-E72 HydrophobicContact CG1-CB 3.7Å; V39-E72 HydrophobicContact CG1-CG 3.91Å
40Q95.5Very high92.9Very high34 Ų3457.7 Ų57.716%0.15930%0.296CS..Hα-helixtrans-61.9-45.8175.9-176.5-173.9-1100111.1L37 A38 Y42 I43 Q44L37-Q40 WeakPolarHBondContact O-CA 3.38Å; L37-Q40 WeakPolarHBondContact O-CB 3.44Å; L37-Q40 PolarHBondContact O-N 3.4Å; A38-Q40 PolarHBondContact O-N 2.89Å; Q40-Y42 VanDerWaalsContact C-N 3.34Å; Q40-I43 PolarHBondContact O-N 3.34Å; Q40-Q44 HydrophobicContact CG-CG 4.48Å; Q40-Q44 VanDerWaalsContact NE2-NE2 3.14Å; Q40-Q44 WeakPolarHBondContact O-CB 3.49Å; Q40-Q44 VanDerWaalsContact O-CG 3.22Å; Q40-Q44 WeakPolarHBondContact O-CG 3.42Å; Q40-Q44 PolarHBondContact O-N 3.32Å
41Q93.9Very high93.1Very high48 Ų4857 Ų5722%0.22430%0.296CS..Hα-helixtrans-63-42.5-179.7-71.1169.7-36.100111.3M33 L37 A38 Q44 Q45M33-Q41 HydrophobicContact SD-CB 4.05Å; L37-Q41 HydrophobicContact CB-CG 4.35Å; L37-Q41 WeakPolarHBondContact O-CG 3.22Å; L37-Q41 PolarHBondContact O-N 3.17Å; A38-Q41 PolarHBondContact O-N 3.25Å; Q41-Q44 PolarHBondContact O-N 3.27Å; Q41-Q45 VanDerWaalsContact O-CB 3.26Å; Q41-Q45 WeakPolarHBondContact O-CB 3.26Å; Q41-Q45 PolarHBondContact O-N 2.64Å
42Y95.8Very high93.3Very high46 Ų4650.8 Ų50.818%0.1827%0.274CS..Hα-helixtrans-62.3-48.1176.9-175.3-104.3000112.4F30 M33 A38 V39 Q40 Q44 Q45 N46 P61 W69F30-Y42 HydrophobicContact CB-CD2 4Å; F30-Y42 HydrophobicContact CB-CE2 4.12Å; F30-Y42 HydrophobicContact CD2-CD1 4.42Å; F30-Y42 AromaticContact CD2-CD2 3.93Å; F30-Y42 HydrophobicContact CD2-CD2 3.93Å; F30-Y42 AromaticContact CD2-CG 3.79Å; F30-Y42 HydrophobicContact CD2-CG 3.79Å; F30-Y42 HydrophobicContact CE2-CG 4.47Å; F30-Y42 HydrophobicContact CG-CD2 4.41Å; M33-Y42 HydrophobicContact CE-CD2 4.16Å; A38-Y42 WeakPolarHBondContact O-CB 3.32Å; A38-Y42 PolarHBondContact O-N 2.93Å; V39-Y42 PolarHBondContact O-N 2.83Å; Q40-Y42 VanDerWaalsContact C-N 3.34Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-Q44 PolarHBondContact O-N 2.83Å; Y42-Q45 PolarHBondContact O-N 3.48Å; Y42-N46 VanDerWaalsContact CE1-ND2 3.3Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.08Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.43Å; Y42-N46 VanDerWaalsContact CZ-ND2 3.27Å; Y42-N46 PolarHBondContact O-N 3.02Å; Y42-N46 PolarHBondContact O-ND2 3.13Å; Y42-P61 HydrophobicContact CD1-CG 3.83Å; Y42-P61 HydrophobicContact CE1-CG 3.64Å; Y42-P61 HydrophobicContact CG-CG 4.39Å; Y42-W69 HydrophobicContact CD1-CH2 4.03Å; Y42-W69 HydrophobicContact CD1-CZ3 4.04Å; Y42-W69 HydrophobicContact CE1-CH2 4.16Å; Y42-W69 HydrophobicContact CE1-CZ3 4.48Å
43I97.4Very high93.6Very high0 Ų047.8 Ų47.80%026%0.262CS..Hα-helixtrans-58.8-49.1175.8-66.8165.1000109.8V39 Q40 Q45 N46 I47 W69 E72 Q76V39-I43 HydrophobicContact CG1-CD1 3.92Å; V39-I43 VanDerWaalsContact O-CG1 3.26Å; V39-I43 WeakPolarHBondContact O-CG1 3.48Å; V39-I43 PolarHBondContact O-N 2.98Å; Q40-I43 PolarHBondContact O-N 3.34Å; I43-Q45 VanDerWaalsContact C-N 3.31Å; I43-Q45 PolarHBondContact O-N 3.16Å; I43-N46 PolarHBondContact O-N 3.26Å; I43-I47 HydrophobicContact CG2-CD1 3.72Å; I43-I47 HydrophobicContact CG2-CG1 4.45Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.36Å; I43-I47 PolarHBondContact O-N 3.37Å; I43-W69 HydrophobicContact CD1-CE3 4.35Å; I43-W69 HydrophobicContact CD1-CH2 4.4Å; I43-W69 HydrophobicContact CD1-CZ3 4.08Å; I43-W69 HydrophobicContact CG1-CE3 4.5Å; I43-W69 HydrophobicContact CG1-CH2 3.78Å; I43-W69 HydrophobicContact CG1-CZ3 3.75Å; I43-E72 HydrophobicContact CD1-CB 3.97Å; I43-Q76 HydrophobicContact CG2-CB 4.32Å; I43-Q76 HydrophobicContact CG2-CG 3.85Å
44Q96Very high93.9Very high30 Ų3047.5 Ų47.514%0.1426%0.261CS..Hα-helixtrans-66-32.8-178.8-69-179.2-8.500112.8Q40 Q41 Y42 R48Q40-Q44 HydrophobicContact CG-CG 4.48Å; Q40-Q44 VanDerWaalsContact NE2-NE2 3.14Å; Q40-Q44 WeakPolarHBondContact O-CB 3.49Å; Q40-Q44 VanDerWaalsContact O-CG 3.22Å; Q40-Q44 WeakPolarHBondContact O-CG 3.42Å; Q40-Q44 PolarHBondContact O-N 3.32Å; Q41-Q44 PolarHBondContact O-N 3.27Å; Y42-Q44 VanDerWaalsContact C-N 3.34Å; Y42-Q44 PolarHBondContact O-N 2.83Å; Q44-R48 WeakPolarHBondContact O-CB 3.44Å; Q44-R48 WeakPolarHBondContact O-CG 3.33Å; Q44-R48 PolarHBondContact O-N 3.44Å; Q44-R48 PolarHBondContact O-NH1 2.99Å
45Q94.9Very high94.5Very high10 Ų1043.6 Ų43.65%0.04724%0.24CC..Hα-helixtrans-65-48.1174.2-174.5173.5-73.700110.9D27 E28 Q41 Y42 I43 I47 R48 S49D27-Q45 HydrophobicContact CB-CG 4.32Å; D27-Q45 WeakPolarHBondContact OD1-CG 3.28Å; E28-Q45 PolarHBondContact O-NE2 3.38Å; Q41-Q45 VanDerWaalsContact O-CB 3.26Å; Q41-Q45 WeakPolarHBondContact O-CB 3.26Å; Q41-Q45 PolarHBondContact O-N 2.64Å; Y42-Q45 PolarHBondContact O-N 3.48Å; I43-Q45 VanDerWaalsContact C-N 3.31Å; I43-Q45 PolarHBondContact O-N 3.16Å; Q45-I47 PolarHBondContact O-N 2.96Å; Q45-R48 PolarHBondContact O-N 3.2Å; Q45-S49 WeakPolarHBondContact O-CB 3.5Å; Q45-S49 PolarHBondContact O-N 3.28Å
46N96.4Very high94.9Very high9 Ų946 Ų465%0.04824%0.244CC..Hα-helixtrans-62.2-42.1177.3-75.8-68.4000112.2Y42 I43 R48 S49 D50 K56 I57Y42-N46 VanDerWaalsContact CE1-ND2 3.3Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.08Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.43Å; Y42-N46 VanDerWaalsContact CZ-ND2 3.27Å; Y42-N46 PolarHBondContact O-N 3.02Å; Y42-N46 PolarHBondContact O-ND2 3.13Å; I43-N46 PolarHBondContact O-N 3.26Å; N46-R48 VanDerWaalsContact C-N 3.34Å; N46-R48 PolarHBondContact O-N 2.81Å; N46-S49 PolarHBondContact O-N 2.88Å; N46-D50 PolarHBondContact O-N 3.03Å; N46-K56 VanDerWaalsContact OD1-CE 3.28Å; N46-K56 WeakPolarHBondContact OD1-CE 3.12Å; N46-I57 HydrophobicContact CB-CG1 4Å
47I96.6Very high95.4Very high20 Ų2041 Ų4110%0.10321%0.214CC..Hα-helixtrans-61.2-41175.6-67.3166.9000111.7I43 Q45 D50 C51 I57 Q76I43-I47 HydrophobicContact CG2-CD1 3.72Å; I43-I47 HydrophobicContact CG2-CG1 4.45Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 3.36Å; I43-I47 PolarHBondContact O-N 3.37Å; Q45-I47 PolarHBondContact O-N 2.96Å; I47-D50 CarbonylContact O-C 2.93Å; I47-C51 HydrophobicContact CG2-CB 4.4Å; I47-C51 WeakPolarHBondContact O-CA 3.48Å; I47-C51 PolarHBondContact O-N 3.21Å; I47-I57 HydrophobicContact CD1-CG2 4.35Å; I47-I57 HydrophobicContact CG1-CD1 4.01Å; I47-I57 HydrophobicContact CG1-CG1 4.23Å; I47-I57 HydrophobicContact CG1-CG2 3.74Å; I47-Q76 HydrophobicContact CD1-CG 3.8Å
48R94.1Very high95.7Very high99 Ų9938.5 Ų38.537%0.37420%0.201SC..Hα-helixtrans-71.3-33.9177.9-75.4-172-57.3-87.9-3.8113Q44 Q45 N46Q44-R48 WeakPolarHBondContact O-CB 3.44Å; Q44-R48 WeakPolarHBondContact O-CG 3.33Å; Q44-R48 PolarHBondContact O-N 3.44Å; Q44-R48 PolarHBondContact O-NH1 2.99Å; Q45-R48 PolarHBondContact O-N 3.2Å; N46-R48 VanDerWaalsContact C-N 3.34Å; N46-R48 PolarHBondContact O-N 2.81Å
49S94.1Very high95.9Very high64 Ų6443.1 Ų43.145%0.44822%0.22SC..Hα-helixtrans-65.1-51178.6-175.30000110.3Q45 N46Q45-S49 WeakPolarHBondContact O-CB 3.5Å; Q45-S49 PolarHBondContact O-N 3.28Å; N46-S49 PolarHBondContact O-N 2.88Å
50D95.4Very high95.9Very high65 Ų6544.4 Ų44.435%0.34823%0.229SC..  trans-159.8104.9175.9-179.2-1.7000109.7N46 I47 S52 N53 I57N46-D50 PolarHBondContact O-N 3.03Å; I47-D50 CarbonylContact O-C 2.93Å; D50-S52 PolarHBondContact O-N 3.43Å; D50-S52 WeakPolarHBondContact OD1-CB 3.28Å; D50-S52 PolarHBondContact OD1-N 3.38Å; D50-S52 PolarHBondContact OD1-OG 3.06Å; D50-N53 HydrophobicContact CB-CB 4.19Å; D50-N53 PolarHBondContact O-N 2.99Å; D50-N53 PolarHBondContact OD1-N 3.45Å; D50-N53 WeakPolarHBondContact OD2-CB 3.45Å; D50-I57 WeakPolarHBondContact O-CD1 3.34Å
51C95.8Very high95.9Very high36 Ų3643.6 Ų43.624%0.24323%0.226CC..THydrogen-bonded Turntrans-70.9-19-179.761.40000113.6I47I47-C51 HydrophobicContact CG2-CB 4.4Å; I47-C51 WeakPolarHBondContact O-CA 3.48Å; I47-C51 PolarHBondContact O-N 3.21Å
52S95.6Very high95.9Very high60 Ų6050.9 Ų50.942%0.4226%0.261SS..THydrogen-bonded Turntrans-82.1-23.3-179.974.70000112.6D50 I54D50-S52 PolarHBondContact O-N 3.43Å; D50-S52 WeakPolarHBondContact OD1-CB 3.28Å; D50-S52 PolarHBondContact OD1-N 3.38Å; D50-S52 PolarHBondContact OD1-OG 3.06Å; S52-I54 VanDerWaalsContact C-N 3.26Å; S52-I54 PolarHBondContact O-N 3.21Å
53N96.1Very high95.7Very high63 Ų6352.7 Ų52.734%0.33729%0.293SS..  trans-80.971.7177.6-166-22.5000111.8D50 D55 K56 I57D50-N53 HydrophobicContact CB-CB 4.19Å; D50-N53 PolarHBondContact O-N 2.99Å; D50-N53 PolarHBondContact OD1-N 3.45Å; D50-N53 WeakPolarHBondContact OD2-CB 3.45Å; N53-D55 VanDerWaalsContact C-N 3.29Å; N53-D55 PolarHBondContact O-N 2.81Å; N53-K56 HydrophobicContact CB-CB 4.26Å; N53-K56 VanDerWaalsContact CG-CB 3.43Å; N53-K56 PolarHBondContact O-N 3.3Å; N53-K56 WeakPolarHBondContact OD1-CB 3.49Å; N53-K56 PolarHBondContact OD1-N 3.39Å; N53-I57 WeakPolarHBondContact O-CD1 3.3Å; N53-I57 VanDerWaalsContact O-CG1 3.32Å; N53-I57 WeakPolarHBondContact O-CG1 3Å; N53-I57 PolarHBondContact O-N 3Å; N53-I57 VanDerWaalsContact O-N 3.09Å
54I96.4Very high95.6Very high7 Ų754.8 Ų54.84%0.03630%0.303CS..Hα-helixtrans-60.2-39.4-177-66.3170.6000111.7S52 K56 I57 L58 F186 H189 R190 R193S52-I54 VanDerWaalsContact C-N 3.26Å; S52-I54 PolarHBondContact O-N 3.21Å; I54-K56 PolarHBondContact O-N 3.24Å; I54-I57 PolarHBondContact O-N 2.93Å; I54-L58 HydrophobicContact CG2-CD1 3.65Å; I54-L58 HydrophobicContact CG2-CG 4.06Å; I54-L58 WeakPolarHBondContact O-CB 3.24Å; I54-L58 WeakPolarHBondContact O-CG 3.23Å; I54-L58 PolarHBondContact O-N 3.28Å; I54-F186 HydrophobicContact CD1-CB 4.23Å; I54-F186 HydrophobicContact CG1-CB 4.46Å; I54-H189 HydrophobicContact CD1-CB 3.75Å; I54-H189 WeakPolarHBondContact CD1-ND1 3.3Å; I54-R190 HydrophobicContact CD1-CB 4.37Å; I54-R190 HydrophobicContact CG1-CB 4.16Å; I54-R190 HydrophobicContact CG2-CB 4.25Å; I54-R190 HydrophobicContact CG2-CG 4.16Å; I54-R193 HydrophobicContact CG2-CB 4.2Å; I54-R193 HydrophobicContact CG2-CG 4.44Å
55D95.3Very high95.6Very high89 Ų8957.2 Ų57.248%0.47632%0.317SS..Hα-helixtrans-61.6-45.7-179.5-74.4-39.5000111.3N53 I57 L58 E59 R193N53-D55 VanDerWaalsContact C-N 3.29Å; N53-D55 PolarHBondContact O-N 2.81Å; D55-I57 PolarHBondContact O-N 3.39Å; D55-L58 PolarHBondContact O-N 3.38Å; D55-E59 WeakPolarHBondContact O-CB 3.23Å; D55-E59 PolarHBondContact O-N 2.82Å; D55-E59 VanDerWaalsContact O-N 3.16Å; D55-R193 IonicContact OD1-CZ 2.83Å; D55-R193 IonicContact OD1-NE 3.84Å; D55-R193 IonicContact OD1-NH1 3.87Å; D55-R193 PolarHBondContact OD1-NH1 2.82Å; D55-R193 IonicContact OD1-NH2 3.08Å; D55-R193 PolarHBondContact OD1-NH2 3.06Å; D55-R193 IonicContact OD2-CZ 3.94Å; D55-R193 IonicContact OD2-NH1 2.64Å; D55-R193 IonicContact OD2-NH2 3.93Å
56K95.9Very high95.7Very high97 Ų9761.8 Ų61.842%0.42234%0.338SS..Hα-helixtrans-63.2-41.7174.6-174.5-177.8-179.9-1700112.2N46 N53 I54 L58 E59N46-K56 VanDerWaalsContact OD1-CE 3.28Å; N46-K56 WeakPolarHBondContact OD1-CE 3.12Å; N53-K56 HydrophobicContact CB-CB 4.26Å; N53-K56 VanDerWaalsContact CG-CB 3.43Å; N53-K56 PolarHBondContact O-N 3.3Å; N53-K56 WeakPolarHBondContact OD1-CB 3.49Å; N53-K56 PolarHBondContact OD1-N 3.39Å; I54-K56 PolarHBondContact O-N 3.24Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.47Å; K56-E59 PolarHBondContact O-N 2.76Å
57I98Very high95.7Very high1 Ų161.8 Ų61.81%0.00534%0.34CS..Hα-helixtrans-65.6-35.7-179.3-64.8160.6000111.7N46 I47 D50 N53 I54 D55 H73N46-I57 HydrophobicContact CB-CG1 4Å; I47-I57 HydrophobicContact CD1-CG2 4.35Å; I47-I57 HydrophobicContact CG1-CD1 4.01Å; I47-I57 HydrophobicContact CG1-CG1 4.23Å; I47-I57 HydrophobicContact CG1-CG2 3.74Å; D50-I57 WeakPolarHBondContact O-CD1 3.34Å; N53-I57 WeakPolarHBondContact O-CD1 3.3Å; N53-I57 VanDerWaalsContact O-CG1 3.32Å; N53-I57 WeakPolarHBondContact O-CG1 3Å; N53-I57 PolarHBondContact O-N 3Å; N53-I57 VanDerWaalsContact O-N 3.09Å; I54-I57 PolarHBondContact O-N 2.93Å; D55-I57 PolarHBondContact O-N 3.39Å; I57-H73 PolarHBondContact O-CE1 3.39Å; I57-H73 PolarHBondContact O-NE2 3.46Å
58L97.7Very high95.7Very high4 Ų460.9 Ų60.92%0.02134%0.336CS..THydrogen-bonded Turntrans-91.13.3-177.9-63.3-175.3000113.6I54 D55 K56 P60 R190 R193 F194 K197I54-L58 HydrophobicContact CG2-CD1 3.65Å; I54-L58 HydrophobicContact CG2-CG 4.06Å; I54-L58 WeakPolarHBondContact O-CB 3.24Å; I54-L58 WeakPolarHBondContact O-CG 3.23Å; I54-L58 PolarHBondContact O-N 3.28Å; D55-L58 PolarHBondContact O-N 3.38Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L58 PolarHBondContact O-N 3.47Å; L58-P60 WeakPolarHBondContact O-CD 3.45Å; L58-R190 HydrophobicContact CD1-CG 4.36Å; L58-R190 HydrophobicContact CD2-CG 3.89Å; L58-R190 HydrophobicContact CG-CG 4.16Å; L58-R193 HydrophobicContact CD1-CB 3.81Å; L58-F194 HydrophobicContact CD1-CB 4.12Å; L58-F194 HydrophobicContact CD2-CB 4.02Å; L58-F194 HydrophobicContact CD2-CD2 4.13Å; L58-K197 PolarHBondContact O-NZ 3Å
59E96.6Very high95.9Very high110 Ų11056.2 Ų56.251%0.51432%0.318SS..  trans-88.6114177.4-16658.6-161.200110.9D55 K56 K197D55-E59 WeakPolarHBondContact O-CB 3.23Å; D55-E59 PolarHBondContact O-N 2.82Å; D55-E59 VanDerWaalsContact O-N 3.16Å; K56-E59 PolarHBondContact O-N 2.76Å; E59-K197 IonicContact OE2-NZ 3.55Å; E59-K197 PolarHBondContact OE2-NZ 3.34Å
60P96.2Very high96.1Very high41 Ų4154.3 Ų54.327%0.26630%0.302SS..PPolyproline II helixtrans-70.3146.6-179.329.8-34.2000110.9L58 Q64 W69L58-P60 WeakPolarHBondContact O-CD 3.45Å; P60-Q64 HydrophobicContact CB-CB 4.37Å; P60-W69 HydrophobicContact CB-CD2 3.88Å; P60-W69 HydrophobicContact CB-CE3 4.3Å; P60-W69 HydrophobicContact CB-CG 4.15Å; P60-W69 HydrophobicContact CB-CZ2 4.26Å
61P95.8Very high96.2Very high16 Ų1651.3 Ų51.310%0.10429%0.285CS..PPolyproline II helixtrans-56.3152.9166.2-22.332.7000111.9F30 Y42 G63 Q64F30-P61 HydrophobicContact CB-CB 4.25Å; F30-P61 HydrophobicContact CB-CG 4.16Å; F30-P61 HydrophobicContact CD1-CB 3.38Å; F30-P61 HydrophobicContact CD1-CG 3.66Å; F30-P61 HydrophobicContact CD2-CB 4.34Å; F30-P61 HydrophobicContact CD2-CG 3.67Å; F30-P61 HydrophobicContact CE1-CB 3.72Å; F30-P61 HydrophobicContact CE1-CG 3.89Å; F30-P61 HydrophobicContact CE2-CG 3.91Å; F30-P61 HydrophobicContact CG-CB 3.72Å; F30-P61 HydrophobicContact CG-CG 3.53Å; F30-P61 HydrophobicContact CZ-CB 4.34Å; F30-P61 HydrophobicContact CZ-CG 4.01Å; Y42-P61 HydrophobicContact CD1-CG 3.83Å; Y42-P61 HydrophobicContact CE1-CG 3.64Å; Y42-P61 HydrophobicContact CG-CG 4.39Å; P61-G63 PolarHBondContact O-N 3.43Å; P61-Q64 HydrophobicContact CB-CB 4.42Å; P61-Q64 WeakPolarHBondContact O-CB 3.42Å; P61-Q64 PolarHBondContact O-N 3.18Å; P61-Q64 VanDerWaalsContact O-N 3.13Å
62E94.1Very high96.3Very high202 Ų20249.7 Ų49.794%0.94428%0.275SS*.THydrogen-bonded Turntrans-57.7132.4179.7-170.8175.3179.100111.4Q64E62-Q64 PolarHBondContact O-N 3.4Å
63G92.5Very high96.4Very high83 Ų8346.9 Ų46.986%0.85626%0.255SS*.THydrogen-bonded Turntrans73.93.3179.700000115.6P61P61-G63 PolarHBondContact O-N 3.43Å
64Q95.3Very high96.5Very high44 Ų4443.9 Ų43.921%0.20624%0.239CC..  trans-67.8132.1178.7-179.653.155.400111.9V39 P60 P61 E62 E66 W69V39-Q64 HydrophobicContact CG2-CG 4.45Å; P60-Q64 HydrophobicContact CB-CB 4.37Å; P61-Q64 HydrophobicContact CB-CB 4.42Å; P61-Q64 WeakPolarHBondContact O-CB 3.42Å; P61-Q64 PolarHBondContact O-N 3.18Å; P61-Q64 VanDerWaalsContact O-N 3.13Å; E62-Q64 PolarHBondContact O-N 3.4Å; Q64-E66 PolarHBondContact O-N 2.99Å; Q64-W69 HydrophobicContact CG-CB 4.42Å; Q64-W69 HydrophobicContact CG-CE3 4.26Å
65D95.7Very high96.6Very high82 Ų8245.6 Ų45.644%0.43925%0.245SC..  trans-60.5124.9173.9177.4-102.9000111.3G67 V68 W69D65-G67 VanDerWaalsContact C-N 3.3Å; D65-G67 PolarHBondContact O-N 3.11Å; D65-G67 VanDerWaalsContact OD1-CA 3.29Å; D65-G67 WeakPolarHBondContact OD1-CA 3.14Å; D65-G67 PolarHBondContact OD1-N 3.42Å; D65-V68 HydrophobicContact CB-CB 4.26Å; D65-V68 HydrophobicContact CB-CG2 4.08Å; D65-V68 PolarHBondContact O-N 3.22Å; D65-V68 WeakPolarHBondContact OD1-CG2 3.25Å; D65-V68 PolarHBondContact OD1-N 3.41Å; D65-W69 PolarHBondContact O-N 2.86Å
66E96Very high96.7Very high105 Ų10542 Ų4249%0.49123%0.225SC..Hα-helixtrans-65.7-32.8-177.3-178.717611700112.1Q64 W69 K70 Y198Q64-E66 PolarHBondContact O-N 2.99Å; E66-W69 PolarHBondContact O-N 3.46Å; E66-K70 HydrophobicContact CG-CD 4.11Å; E66-K70 VanDerWaalsContact CG-CE 3.43Å; E66-K70 HydrophobicContact CG-CG 4.36Å; E66-K70 WeakPolarHBondContact O-CB 3.24Å; E66-K70 VanDerWaalsContact O-CG 3.26Å; E66-K70 WeakPolarHBondContact O-CG 3.38Å; E66-K70 PolarHBondContact O-N 2.9Å; E66-K70 WeakPolarHBondContact OE1-CE 3.34Å; E66-K70 IonicContact OE1-NZ 3.62Å; E66-K70 PolarHBondContact OE1-NZ 3.15Å; E66-Y198 HydrophobicContact CG-CD1 4.28Å; E66-Y198 HydrophobicContact CG-CE1 4.01Å
67G96.8Very high96.8Very high9 Ų937.4 Ų37.49%0.09321%0.205CC..Hα-helixtrans-64.2-46.6176.800000112.2D65 Y71D65-G67 VanDerWaalsContact C-N 3.3Å; D65-G67 PolarHBondContact O-N 3.11Å; D65-G67 VanDerWaalsContact OD1-CA 3.29Å; D65-G67 WeakPolarHBondContact OD1-CA 3.14Å; D65-G67 PolarHBondContact OD1-N 3.42Å; G67-Y71 VanDerWaalsContact O-CB 3.25Å; G67-Y71 WeakPolarHBondContact O-CB 3.15Å; G67-Y71 PolarHBondContact O-N 3.46Å
68V97.1Very high96.8Very high2 Ų237.9 Ų37.91%0.01221%0.208CC..Hα-helixtrans-61-46.5172.3174.90000110.5V39 D65 K70 Y71 E72 R145 V146 I148V39-V68 HydrophobicContact CB-CG1 4.36Å; V39-V68 HydrophobicContact CG1-CG1 4.46Å; V39-V68 HydrophobicContact CG2-CG1 3.92Å; D65-V68 HydrophobicContact CB-CB 4.26Å; D65-V68 HydrophobicContact CB-CG2 4.08Å; D65-V68 PolarHBondContact O-N 3.22Å; D65-V68 WeakPolarHBondContact OD1-CG2 3.25Å; D65-V68 PolarHBondContact OD1-N 3.41Å; V68-K70 PolarHBondContact O-N 3.31Å; V68-Y71 PolarHBondContact O-N 3.16Å; V68-E72 HydrophobicContact CG1-CG 4.3Å; V68-E72 PolarHBondContact O-N 3.15Å; V68-R145 WeakPolarHBondContact CG1-O 3.47Å; V68-V146 WeakPolarHBondContact CG2-O 3.22Å; V68-I148 HydrophobicContact CB-CG1 4.25Å; V68-I148 HydrophobicContact CG2-CG1 3.75Å
69W97.8Very high96.8Very high1 Ų142.1 Ų42.10%0.00423%0.231CC..Hα-helixtrans-58.2-50.6-179.8-174.1-111.7000112.1V39 Y42 I43 P60 Q64 D65 E66 Y71 E72 H73 Y198V39-W69 HydrophobicContact CG1-CE3 3.63Å; V39-W69 HydrophobicContact CG1-CZ3 3.94Å; Y42-W69 HydrophobicContact CD1-CH2 4.03Å; Y42-W69 HydrophobicContact CD1-CZ3 4.04Å; Y42-W69 HydrophobicContact CE1-CH2 4.16Å; Y42-W69 HydrophobicContact CE1-CZ3 4.48Å; I43-W69 HydrophobicContact CD1-CE3 4.35Å; I43-W69 HydrophobicContact CD1-CH2 4.4Å; I43-W69 HydrophobicContact CD1-CZ3 4.08Å; I43-W69 HydrophobicContact CG1-CE3 4.5Å; I43-W69 HydrophobicContact CG1-CH2 3.78Å; I43-W69 HydrophobicContact CG1-CZ3 3.75Å; P60-W69 HydrophobicContact CB-CD2 3.88Å; P60-W69 HydrophobicContact CB-CE3 4.3Å; P60-W69 HydrophobicContact CB-CG 4.15Å; P60-W69 HydrophobicContact CB-CZ2 4.26Å; Q64-W69 HydrophobicContact CG-CB 4.42Å; Q64-W69 HydrophobicContact CG-CE3 4.26Å; D65-W69 PolarHBondContact O-N 2.86Å; E66-W69 PolarHBondContact O-N 3.46Å; W69-Y71 VanDerWaalsContact C-N 3.32Å; W69-Y71 PolarHBondContact O-N 3.12Å; W69-E72 PolarHBondContact O-N 3.38Å; W69-H73 AromaticContact CD1-CD2 3.94Å; W69-H73 AromaticContact CD2-CD2 3.78Å; W69-H73 AromaticContact CE2-CD2 3.35Å; W69-H73 AromaticContact CE2-NE2 3.22Å; W69-H73 AromaticContact CH2-NE2 3.61Å; W69-H73 AromaticContact CZ2-CD2 3.67Å; W69-H73 AromaticContact CZ2-NE2 3Å; W69-H73 WeakPolarHBondContact CZ2-NE2 3.41Å; W69-H73 AromaticContact NE1-CD2 3.46Å; W69-H73 PolarHBondContact NE1-CD2 2.84Å; W69-H73 AromaticContact NE1-NE2 3.61Å; W69-H73 WeakPolarHBondContact O-CB 3.44Å; W69-H73 PolarHBondContact O-N 2.93Å; W69-Y198 AromaticContact CD1-CZ 3.67Å; W69-Y198 AromaticContact NE1-CZ 3.97Å; W69-Y198 PolarHBondContact NE1-OH 3.3Å; W69-Y198 VanDerWaalsContact NE1-OH 3.12Å
70K97.8Very high96.9Very high23 Ų2338.2 Ų38.210%0.121%0.212CC..Hα-helixtrans-60.2-43176.7-71.4169.5-177.21730112E66 V68 L74 V153 L156 F194 Y198E66-K70 HydrophobicContact CG-CD 4.11Å; E66-K70 VanDerWaalsContact CG-CE 3.43Å; E66-K70 HydrophobicContact CG-CG 4.36Å; E66-K70 WeakPolarHBondContact O-CB 3.24Å; E66-K70 VanDerWaalsContact O-CG 3.26Å; E66-K70 WeakPolarHBondContact O-CG 3.38Å; E66-K70 PolarHBondContact O-N 2.9Å; E66-K70 WeakPolarHBondContact OE1-CE 3.34Å; E66-K70 IonicContact OE1-NZ 3.62Å; E66-K70 PolarHBondContact OE1-NZ 3.15Å; V68-K70 PolarHBondContact O-N 3.31Å; K70-L74 WeakPolarHBondContact O-CB 3.37Å; K70-L74 PolarHBondContact O-N 3.49Å; K70-V153 HydrophobicContact CD-CG1 4.18Å; K70-L156 HydrophobicContact CB-CD1 3.72Å; K70-F194 HydrophobicContact CB-CZ 4.12Å; K70-F194 HydrophobicContact CG-CE2 4.45Å; K70-F194 HydrophobicContact CG-CZ 4.25Å; K70-Y198 HydrophobicContact CD-CD1 4.37Å; K70-Y198 HydrophobicContact CD-CG 4.37Å; K70-Y198 HydrophobicContact CG-CD1 4.22Å; K70-Y198 HydrophobicContact CG-CD2 4.27Å; K70-Y198 HydrophobicContact CG-CG 4.05Å
71Y97.8Very high96.9Very high2 Ų236.2 Ų36.21%0.00820%0.199CC..Hα-helixtrans-63.2-47.9-179.7168.1-106.3000111.8G67 V68 W69 L74 R75 L136 F142 R145 I148 L156G67-Y71 VanDerWaalsContact O-CB 3.25Å; G67-Y71 WeakPolarHBondContact O-CB 3.15Å; G67-Y71 PolarHBondContact O-N 3.46Å; V68-Y71 PolarHBondContact O-N 3.16Å; W69-Y71 VanDerWaalsContact C-N 3.32Å; W69-Y71 PolarHBondContact O-N 3.12Å; Y71-L74 PolarHBondContact O-N 3.25Å; Y71-R75 HydrophobicContact CE2-CG 4.3Å; Y71-R75 VanDerWaalsContact CZ-CD 3.44Å; Y71-R75 WeakPolarHBondContact O-CG 3.36Å; Y71-R75 PolarHBondContact O-N 3.49Å; Y71-L136 HydrophobicContact CD2-CD2 3.9Å; Y71-L136 HydrophobicContact CE2-CB 4.16Å; Y71-L136 HydrophobicContact CE2-CD2 3.88Å; Y71-L136 WeakPolarHBondContact CE2-O 3.49Å; Y71-L136 PolarHBondContact OH-O 3.03Å; Y71-F142 AromaticContact CD2-CD1 3.41Å; Y71-F142 HydrophobicContact CD2-CD1 3.41Å; Y71-F142 VanDerWaalsContact CD2-CD1 3.41Å; Y71-F142 AromaticContact CD2-CE1 3.44Å; Y71-F142 HydrophobicContact CD2-CE1 3.44Å; Y71-F142 VanDerWaalsContact CD2-CE1 3.44Å; Y71-F142 HydrophobicContact CD2-CG 4.09Å; Y71-F142 HydrophobicContact CD2-CZ 4.16Å; Y71-F142 HydrophobicContact CE2-CB 3.95Å; Y71-F142 AromaticContact CE2-CD1 3.33Å; Y71-F142 HydrophobicContact CE2-CD1 3.33Å; Y71-F142 HydrophobicContact CE2-CD2 4.12Å; Y71-F142 AromaticContact CE2-CE1 3.77Å; Y71-F142 HydrophobicContact CE2-CE1 3.77Å; Y71-F142 HydrophobicContact CE2-CE2 4.49Å; Y71-F142 AromaticContact CE2-CG 3.52Å; Y71-F142 HydrophobicContact CE2-CG 3.52Å; Y71-F142 HydrophobicContact CE2-CZ 4.34Å; Y71-F142 HydrophobicContact CG-CD1 4.25Å; Y71-F142 HydrophobicContact CG-CE1 4.35Å; Y71-R145 HydrophobicContact CE1-CB 4.36Å; Y71-R145 HydrophobicContact CE1-CG 4.09Å; Y71-I148 HydrophobicContact CD1-CD1 3.74Å; Y71-I148 HydrophobicContact CD1-CG1 4.28Å; Y71-I148 HydrophobicContact CE1-CD1 4.14Å; Y71-I148 HydrophobicContact CG-CD1 3.99Å; Y71-I148 HydrophobicContact CG-CG1 4.26Å; Y71-L156 HydrophobicContact CD2-CD2 4.49Å
72E97.8Very high97Very high3 Ų338.9 Ų38.91%0.01421%0.213CC..Hα-helixtrans-70.6-38.5-178.2-72-59.615900112.6V39 I43 V68 W69 L74 R75 Q76 R145V39-E72 HydrophobicContact CB-CB 4.41Å; V39-E72 HydrophobicContact CB-CG 4.13Å; V39-E72 HydrophobicContact CG1-CB 3.7Å; V39-E72 HydrophobicContact CG1-CG 3.91Å; I43-E72 HydrophobicContact CD1-CB 3.97Å; V68-E72 HydrophobicContact CG1-CG 4.3Å; V68-E72 PolarHBondContact O-N 3.15Å; W69-E72 PolarHBondContact O-N 3.38Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.14Å; E72-R75 PolarHBondContact O-N 3.07Å; E72-R75 IonicContact OE2-NH1 2.68Å; E72-Q76 WeakPolarHBondContact O-CB 3.22Å; E72-Q76 PolarHBondContact O-N 3.31Å; E72-R145 IonicContact OE1-CZ 3.88Å; E72-R145 VanDerWaalsContact OE1-CZ 3.23Å; E72-R145 IonicContact OE1-NE 3.81Å; E72-R145 PolarHBondContact OE1-NE 3.18Å; E72-R145 IonicContact OE1-NH2 3.88Å; E72-R145 PolarHBondContact OE1-NH2 3.13Å; E72-R145 IonicContact OE2-CZ 3.53Å; E72-R145 IonicContact OE2-NH2 2.74Å; E72-R145 PolarHBondContact OE2-NH2 3.04Å
73H98.3Very high97.1Very high1 Ų130.5 Ų30.51%0.00518%0.181CC..Hα-helixtrans-58.7-45169.6-95.7-64.8000112.1I57 W69 R75 Q76 F77 F194I57-H73 PolarHBondContact O-CE1 3.39Å; I57-H73 PolarHBondContact O-NE2 3.46Å; W69-H73 AromaticContact CD1-CD2 3.94Å; W69-H73 AromaticContact CD2-CD2 3.78Å; W69-H73 AromaticContact CE2-CD2 3.35Å; W69-H73 AromaticContact CE2-NE2 3.22Å; W69-H73 AromaticContact CH2-NE2 3.61Å; W69-H73 AromaticContact CZ2-CD2 3.67Å; W69-H73 AromaticContact CZ2-NE2 3Å; W69-H73 WeakPolarHBondContact CZ2-NE2 3.41Å; W69-H73 AromaticContact NE1-CD2 3.46Å; W69-H73 PolarHBondContact NE1-CD2 2.84Å; W69-H73 AromaticContact NE1-NE2 3.61Å; W69-H73 WeakPolarHBondContact O-CB 3.44Å; W69-H73 PolarHBondContact O-N 2.93Å; H73-R75 VanDerWaalsContact C-N 3.32Å; H73-R75 PolarHBondContact O-N 3.07Å; H73-Q76 CarbonylContact O-C 3.57Å; H73-Q76 WeakPolarHBondContact O-CB 3.41Å; H73-Q76 PolarHBondContact O-N 3.27Å; H73-Q76 VanDerWaalsContact O-N 3.1Å; H73-F77 HydrophobicContact CB-CD2 4.36Å; H73-F77 HydrophobicContact CB-CE2 3.98Å; H73-F77 WeakPolarHBondContact O-CD2 3.33Å; H73-F77 WeakPolarHBondContact O-CG 3.44Å; H73-F77 PolarHBondContact O-N 2.76Å; H73-F194 HydrophobicContact CB-CD2 4.02Å; H73-F194 HydrophobicContact CB-CE2 3.49Å; H73-F194 VanDerWaalsContact CB-CE2 3.49Å; H73-F194 HydrophobicContact CB-CZ 3.81Å; H73-F194 AromaticContact CG-CE2 3.93Å
74L98.1Very high97.3Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-63.2-38.8179.5-171.759.7000112.5K70 Y71 E72 Q76 F77 C78 L136 L156 V159 I163 F191K70-L74 WeakPolarHBondContact O-CB 3.37Å; K70-L74 PolarHBondContact O-N 3.49Å; Y71-L74 PolarHBondContact O-N 3.25Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.14Å; L74-Q76 VanDerWaalsContact C-N 3.32Å; L74-F77 PolarHBondContact O-N 3.14Å; L74-C78 PolarHBondContact O-N 3.23Å; L74-C78 PolarHBondContact O-SG 2.91Å; L74-L136 HydrophobicContact CD2-CD1 4.39Å; L74-L136 HydrophobicContact CD2-CD2 4.14Å; L74-L136 HydrophobicContact CG-CD1 4.16Å; L74-L156 HydrophobicContact CD2-CB 3.99Å; L74-L156 HydrophobicContact CD2-CD2 3.61Å; L74-L156 HydrophobicContact CD2-CG 4.34Å; L74-V159 HydrophobicContact CD1-CG1 4.31Å; L74-V159 HydrophobicContact CD2-CB 3.93Å; L74-V159 HydrophobicContact CD2-CG1 3.86Å; L74-V159 HydrophobicContact CG-CG1 4.3Å; L74-I163 HydrophobicContact CD1-CD1 3.71Å; L74-F191 HydrophobicContact CD1-CE2 4.32Å
75R97.8Very high97.4Very high42 Ų4224.9 Ų24.916%0.15813%0.133CC..Hα-helixtrans-62.6-42172.2-69.5178.790.5-94.11111.6Y71 E72 H73 C78 L79 L136 N137 R145Y71-R75 HydrophobicContact CE2-CG 4.3Å; Y71-R75 VanDerWaalsContact CZ-CD 3.44Å; Y71-R75 WeakPolarHBondContact O-CG 3.36Å; Y71-R75 PolarHBondContact O-N 3.49Å; E72-R75 PolarHBondContact O-N 3.07Å; E72-R75 IonicContact OE2-NH1 2.68Å; H73-R75 VanDerWaalsContact C-N 3.32Å; H73-R75 PolarHBondContact O-N 3.07Å; R75-C78 WeakPolarHBondContact O-CB 3.31Å; R75-C78 PolarHBondContact O-N 3.04Å; R75-L79 PolarHBondContact O-N 3.15Å; R75-L136 HydrophobicContact CG-CB 4.08Å; R75-L136 HydrophobicContact CG-CD1 4Å; R75-L136 HydrophobicContact CG-CG 4.47Å; R75-N137 PolarHBondContact NH2-OD1 3.31Å; R75-R145 VanDerWaalsContact CZ-CZ 3.42Å; R75-R145 VanDerWaalsContact CZ-NH2 3.3Å; R75-R145 VanDerWaalsContact NH1-CZ 3.33Å
76Q98.2Very high97.5Very high14 Ų1425.6 Ų25.67%0.06514%0.141CC..Hα-helixtrans-64.7-42.9178.8-176.856.734.900111.6I43 I47 E72 H73 L74 C78 L79 E80I43-Q76 HydrophobicContact CG2-CB 4.32Å; I43-Q76 HydrophobicContact CG2-CG 3.85Å; I47-Q76 HydrophobicContact CD1-CG 3.8Å; E72-Q76 WeakPolarHBondContact O-CB 3.22Å; E72-Q76 PolarHBondContact O-N 3.31Å; H73-Q76 CarbonylContact O-C 3.57Å; H73-Q76 WeakPolarHBondContact O-CB 3.41Å; H73-Q76 PolarHBondContact O-N 3.27Å; H73-Q76 VanDerWaalsContact O-N 3.1Å; L74-Q76 VanDerWaalsContact C-N 3.32Å; Q76-C78 PolarHBondContact O-N 3.22Å; Q76-L79 WeakPolarHBondContact O-CB 3.24Å; Q76-L79 PolarHBondContact O-N 3.34Å; Q76-L79 VanDerWaalsContact O-N 3.15Å; Q76-E80 WeakPolarHBondContact CG-OE2 3.14Å; Q76-E80 PolarHBondContact NE2-OE2 2.68Å; Q76-E80 PolarHBondContact O-N 3.43Å
77F98.4Very high97.5Very high1 Ų123.7 Ų23.70%0.00413%0.131CC..Hα-helixtrans-59.5-44.5172.6-69.4-57.7000112.3H73 L74 L79 E80 L81 L187 R190 F191 F194H73-F77 HydrophobicContact CB-CD2 4.36Å; H73-F77 HydrophobicContact CB-CE2 3.98Å; H73-F77 WeakPolarHBondContact O-CD2 3.33Å; H73-F77 WeakPolarHBondContact O-CG 3.44Å; H73-F77 PolarHBondContact O-N 2.76Å; L74-F77 PolarHBondContact O-N 3.14Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 3.42Å; F77-E80 PolarHBondContact O-N 3.16Å; F77-L81 WeakPolarHBondContact O-CB 3.41Å; F77-L81 PolarHBondContact O-N 2.99Å; F77-L187 HydrophobicContact CD1-CD1 3.68Å; F77-L187 HydrophobicContact CE1-CD1 4.3Å; F77-R190 HydrophobicContact CE1-CB 4.12Å; F77-R190 HydrophobicContact CE1-CG 3.81Å; F77-R190 HydrophobicContact CZ-CG 3.93Å; F77-F191 HydrophobicContact CB-CD2 4Å; F77-F191 HydrophobicContact CB-CE2 4.45Å; F77-F191 HydrophobicContact CD1-CB 4.04Å; F77-F191 AromaticContact CD1-CD2 3.92Å; F77-F191 HydrophobicContact CD1-CD2 3.92Å; F77-F191 AromaticContact CD2-CD2 3.73Å; F77-F191 HydrophobicContact CD2-CD2 3.73Å; F77-F191 HydrophobicContact CD2-CE2 4.29Å; F77-F191 HydrophobicContact CE1-CB 3.85Å; F77-F191 HydrophobicContact CE1-CD2 4.32Å; F77-F191 HydrophobicContact CE2-CD2 4.16Å; F77-F191 AromaticContact CG-CD2 3.64Å; F77-F191 HydrophobicContact CG-CD2 3.64Å; F77-F191 HydrophobicContact CG-CE2 4.39Å; F77-F191 HydrophobicContact CZ-CB 4.25Å; F77-F191 HydrophobicContact CZ-CD2 4.44Å; F77-F194 HydrophobicContact CD2-CD1 4.28Å; F77-F194 HydrophobicContact CE2-CB 3.85Å; F77-F194 AromaticContact CE2-CD1 3.53Å; F77-F194 HydrophobicContact CE2-CD1 3.53Å; F77-F194 HydrophobicContact CE2-CD2 4.11Å; F77-F194 HydrophobicContact CE2-CE1 4.05Å; F77-F194 AromaticContact CE2-CG 3.56Å; F77-F194 HydrophobicContact CE2-CG 3.56Å; F77-F194 HydrophobicContact CZ-CB 3.81Å; F77-F194 HydrophobicContact CZ-CD1 4.34Å; F77-F194 HydrophobicContact CZ-CG 4.04Å
78C97.7Very high97.5Very high11 Ų1123.3 Ų23.37%0.07413%0.126CC..Hα-helixtrans-59.9-41.4174.4-69.30000112L74 R75 Q76 L81 N82 I163L74-C78 PolarHBondContact O-N 3.23Å; L74-C78 PolarHBondContact O-SG 2.91Å; R75-C78 WeakPolarHBondContact O-CB 3.31Å; R75-C78 PolarHBondContact O-N 3.04Å; Q76-C78 PolarHBondContact O-N 3.22Å; C78-L81 PolarHBondContact O-N 2.87Å; C78-N82 PolarHBondContact O-N 3.27Å; C78-N82 PolarHBondContact O-ND2 3Å; C78-I163 WeakPolarHBondContact SG-CD1 3.19Å
79L96.9Very high97.4Very high93 Ų9327.3 Ų27.349%0.48715%0.145SC..Hα-helixtrans-61.7-49.9179.5-178.965.1000111R75 Q76 F77 N82R75-L79 PolarHBondContact O-N 3.15Å; Q76-L79 WeakPolarHBondContact O-CB 3.24Å; Q76-L79 PolarHBondContact O-N 3.34Å; Q76-L79 VanDerWaalsContact O-N 3.15Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 3.42Å; L79-N82 WeakPolarHBondContact O-CB 3.2Å; L79-N82 PolarHBondContact O-N 2.88Å; L79-N82 PolarHBondContact O-ND2 3.24Å
80E97.9Very high97.2Very high27 Ų2731.2 Ų31.213%0.12617%0.173CC..Hα-helixtrans-69.5-34.4178.6-69.3174.184.200112Q76 F77 N82 G83 Y181 L187 R190Q76-E80 WeakPolarHBondContact CG-OE2 3.14Å; Q76-E80 PolarHBondContact NE2-OE2 2.68Å; Q76-E80 PolarHBondContact O-N 3.43Å; F77-E80 PolarHBondContact O-N 3.16Å; E80-N82 PolarHBondContact O-N 2.91Å; E80-G83 PolarHBondContact O-N 3.06Å; E80-Y181 PolarHBondContact O-OH 2.84Å; E80-L187 HydrophobicContact CB-CD1 3.61Å; E80-L187 HydrophobicContact CB-CD2 3.83Å; E80-L187 HydrophobicContact CB-CG 4.36Å; E80-L187 HydrophobicContact CG-CD1 4.38Å; E80-R190 IonicContact OE1-CZ 2.77Å; E80-R190 IonicContact OE1-NH2 2.92Å; E80-R190 PolarHBondContact OE1-NH2 2.74Å; E80-R190 IonicContact OE2-CZ 3.23Å; E80-R190 IonicContact OE2-NH2 2.88Å; E80-R190 PolarHBondContact OE2-NH2 3.44Å
81L97.7Very high97Very high0 Ų034.6 Ų34.60%019%0.189CC..Hα-helixtrans-64.4-24.4178.3-171.662.2000112.8F77 C78 G83 L84 A85 L129 I163 I166 F167 L187F77-L81 WeakPolarHBondContact O-CB 3.41Å; F77-L81 PolarHBondContact O-N 2.99Å; C78-L81 PolarHBondContact O-N 2.87Å; L81-G83 PolarHBondContact O-N 3.21Å; L81-L84 HydrophobicContact CD1-CB 4.08Å; L81-L84 HydrophobicContact CD1-CD2 3.83Å; L81-L84 PolarHBondContact O-N 2.86Å; L81-A85 PolarHBondContact O-N 2.8Å; L81-L129 HydrophobicContact CB-CD2 4.09Å; L81-L129 HydrophobicContact CD2-CD2 3.85Å; L81-L129 HydrophobicContact CG-CD2 4.04Å; L81-I163 HydrophobicContact CD2-CB 4.31Å; L81-I163 HydrophobicContact CD2-CG1 4.25Å; L81-I163 HydrophobicContact CD2-CG2 3.63Å; L81-I166 HydrophobicContact CD1-CG2 4.1Å; L81-I166 HydrophobicContact CD2-CB 4.32Å; L81-I166 HydrophobicContact CD2-CD1 3.78Å; L81-I166 HydrophobicContact CD2-CG2 4.4Å; L81-I166 HydrophobicContact CG-CG2 4.44Å; L81-F167 HydrophobicContact CD1-CD1 4.18Å; L81-F167 HydrophobicContact CD1-CE1 3.63Å; L81-F167 HydrophobicContact CD1-CE2 4.46Å; L81-F167 HydrophobicContact CD1-CZ 3.77Å; L81-L187 HydrophobicContact CB-CD2 4.35Å; L81-L187 HydrophobicContact CD1-CD2 4.41Å
82N97.3Very high97Very high71 Ų7134.6 Ų34.638%0.3819%0.189SC..Hα-helixtrans-58.7-33.3169.7-70.5-59.6000112.1C78 L79 E80 A85 V86C78-N82 PolarHBondContact O-N 3.27Å; C78-N82 PolarHBondContact O-ND2 3Å; L79-N82 WeakPolarHBondContact O-CB 3.2Å; L79-N82 PolarHBondContact O-N 2.88Å; L79-N82 PolarHBondContact O-ND2 3.24Å; E80-N82 PolarHBondContact O-N 2.91Å; N82-A85 PolarHBondContact O-N 2.87Å; N82-V86 WeakPolarHBondContact O-CG2 3.48Å; N82-V86 PolarHBondContact O-N 2.95Å
83G96.8Very high96.9Very high27 Ų2738.4 Ų38.428%0.27821%0.207SC..Hα-helixtrans-62.1-45.1175.200000112.1E80 L81 V86 K87E80-G83 PolarHBondContact O-N 3.06Å; L81-G83 PolarHBondContact O-N 3.21Å; G83-V86 PolarHBondContact O-N 3.04Å; G83-K87 PolarHBondContact O-N 3.4Å; G83-K87 VanDerWaalsContact O-N 3.13Å
84L97.1Very high96.8Very high1 Ų141 Ų411%0.00522%0.223CC..Hα-helixtrans-63.3-44.3173.5-175.757.8000111.2L81 V86 K87 L88 F167 A170 I177 Y181L81-L84 HydrophobicContact CD1-CB 4.08Å; L81-L84 HydrophobicContact CD1-CD2 3.83Å; L81-L84 PolarHBondContact O-N 2.86Å; L84-V86 VanDerWaalsContact C-N 3.28Å; L84-V86 PolarHBondContact O-N 2.74Å; L84-K87 PolarHBondContact O-N 3.17Å; L84-K87 VanDerWaalsContact O-N 3.11Å; L84-L88 HydrophobicContact CD1-CG 4.43Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 HydrophobicContact CG-CG 4.36Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.38Å; L84-F167 HydrophobicContact CD2-CD1 4.15Å; L84-F167 HydrophobicContact CD2-CE1 4.32Å; L84-A170 HydrophobicContact CD2-CB 4.01Å; L84-I177 HydrophobicContact CD1-CG2 3.83Å; L84-Y181 HydrophobicContact CB-CD1 3.66Å; L84-Y181 HydrophobicContact CB-CE1 3.64Å; L84-Y181 HydrophobicContact CB-CG 4.42Å; L84-Y181 HydrophobicContact CD1-CD1 3.92Å; L84-Y181 HydrophobicContact CD1-CG 4.14Å; L84-Y181 HydrophobicContact CD2-CD1 4.44Å; L84-Y181 HydrophobicContact CG-CD1 4.2Å
85A97Very high96.6Very high7 Ų748 Ų486%0.05826%0.261CS..Hα-helixtrans-60.2-37.6178.700000112.3L81 N82 L88 Q89 T125 L129L81-A85 PolarHBondContact O-N 2.8Å; N82-A85 PolarHBondContact O-N 2.87Å; A85-L88 PolarHBondContact O-N 3.39Å; A85-Q89 WeakPolarHBondContact O-CG 3.46Å; A85-Q89 PolarHBondContact O-N 2.94Å; A85-T125 HydrophobicContact CB-CG2 3.79Å; A85-L129 HydrophobicContact CB-CD1 3.65Å
86V97.1Very high96.3Very high97 Ų9750.5 Ų50.559%0.58828%0.281SS*.Hα-helixtrans-65.6-43.3173.7169.70000111.3N82 G83 L84 Q89N82-V86 WeakPolarHBondContact O-CG2 3.48Å; N82-V86 PolarHBondContact O-N 2.95Å; G83-V86 PolarHBondContact O-N 3.04Å; L84-V86 VanDerWaalsContact C-N 3.28Å; L84-V86 PolarHBondContact O-N 2.74Å; V86-Q89 WeakPolarHBondContact O-CB 3.38Å; V86-Q89 PolarHBondContact O-N 3.01Å
87K96.6Very high96.2Very high66 Ų6650.6 Ų50.629%0.28728%0.283SS..Hα-helixtrans-63.8-40.5175.5-66.2-176.8-164.7-95.30111.7G83 L84 Q89 S90 I177 Y181 E184G83-K87 PolarHBondContact O-N 3.4Å; G83-K87 VanDerWaalsContact O-N 3.13Å; L84-K87 PolarHBondContact O-N 3.17Å; L84-K87 VanDerWaalsContact O-N 3.11Å; K87-Q89 PolarHBondContact O-N 3.42Å; K87-S90 PolarHBondContact O-N 2.84Å; K87-S90 PolarHBondContact O-OG 3.17Å; K87-I177 HydrophobicContact CB-CG2 3.73Å; K87-I177 HydrophobicContact CD-CG2 4.47Å; K87-Y181 HydrophobicContact CD-CD2 4.07Å; K87-Y181 HydrophobicContact CD-CG 4.47Å; K87-E184 IonicContact NZ-OE2 3.75Å; K87-E184 PolarHBondContact NZ-OE2 3.24Å
88L96.6Very high96.1Very high0 Ų054.5 Ų54.50%031%0.307CS..Hα-helixtrans-61.4-30.3177.1-73.5171.3000112.8L84 A85 S90 E91 C92 I122 A170 H174 I177L84-L88 HydrophobicContact CD1-CG 4.43Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 HydrophobicContact CG-CG 4.36Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.38Å; A85-L88 PolarHBondContact O-N 3.39Å; L88-S90 PolarHBondContact O-N 3.27Å; L88-S90 VanDerWaalsContact O-N 3.08Å; L88-E91 PolarHBondContact O-N 2.96Å; L88-E91 VanDerWaalsContact O-N 3.09Å; L88-C92 HydrophobicContact CB-CB 4.28Å; L88-C92 VanDerWaalsContact O-CB 3.23Å; L88-C92 WeakPolarHBondContact O-CB 3.32Å; L88-C92 PolarHBondContact O-N 3.46Å; L88-I122 HydrophobicContact CB-CD1 4.27Å; L88-A170 HydrophobicContact CD1-CB 4.28Å; L88-A170 HydrophobicContact CD2-CB 4.25Å; L88-H174 HydrophobicContact CD2-CB 3.64Å; L88-I177 HydrophobicContact CD2-CD1 4.44Å; L88-I177 HydrophobicContact CD2-CG2 4.16Å; L88-I177 HydrophobicContact CG-CG2 4.45Å
89Q94.7Very high95.9Very high86 Ų8656.9 Ų56.940%0.40232%0.317SS..THydrogen-bonded Turntrans-61.1-19.2-179.2-75.6176.359.600114.3A85 V86 K87 I122A85-Q89 WeakPolarHBondContact O-CG 3.46Å; A85-Q89 PolarHBondContact O-N 2.94Å; V86-Q89 WeakPolarHBondContact O-CB 3.38Å; V86-Q89 PolarHBondContact O-N 3.01Å; K87-Q89 PolarHBondContact O-N 3.42Å; Q89-I122 HydrophobicContact CG-CD1 3.8Å; Q89-I122 HydrophobicContact CG-CG1 4.23Å
90S93.4Very high95.9Very high84 Ų8452.4 Ų52.459%0.58729%0.294SS*.THydrogen-bonded Turntrans-77.2-19.6177.2620000114.1K87 L88 H93K87-S90 PolarHBondContact O-N 2.84Å; K87-S90 PolarHBondContact O-OG 3.17Å; L88-S90 PolarHBondContact O-N 3.27Å; L88-S90 VanDerWaalsContact O-N 3.08Å; S90-H93 PolarHBondContact O-NE2 3.41Å
91E94.7Very high95.7Very high93 Ų9352.5 Ų52.544%0.43530%0.296SS..THydrogen-bonded Turntrans-132.6-29.5-173.3-66.9-178.8-164.900113.9L88 H93 I177L88-E91 PolarHBondContact O-N 2.96Å; L88-E91 VanDerWaalsContact O-N 3.09Å; E91-H93 PolarHBondContact O-CD2 3.34Å; E91-H93 PolarHBondContact O-N 3.49Å; E91-I177 HydrophobicContact CB-CD1 4.03Å; E91-I177 VanDerWaalsContact CD-CD1 3.48Å; E91-I177 HydrophobicContact CG-CD1 3.97Å; E91-I177 WeakPolarHBondContact OE2-CD1 3.49Å
92C96.4Very high95.2Very high2 Ų252.6 Ų52.61%0.01430%0.297CS..  trans-84.798.4179.8-176.20000109.9L88 I122 H174L88-C92 HydrophobicContact CB-CB 4.28Å; L88-C92 VanDerWaalsContact O-CB 3.23Å; L88-C92 WeakPolarHBondContact O-CB 3.32Å; L88-C92 PolarHBondContact O-N 3.46Å; C92-I122 HydrophobicContact CB-CB 4.41Å; C92-I122 HydrophobicContact CB-CD1 4.31Å; C92-I122 WeakPolarHBondContact O-CB 3.06Å; C92-H174 WeakPolarHBondContact CB-NE2 3.23Å
93H95.9Very high94.6Very high83 Ų8351.7 Ų51.738%0.38429%0.294SS..  trans-110.1156.8-179.6-60.5-60.3000112S90 E91 D95 T96 C97S90-H93 PolarHBondContact O-NE2 3.41Å; E91-H93 PolarHBondContact O-CD2 3.34Å; E91-H93 PolarHBondContact O-N 3.49Å; H93-D95 PolarHBondContact O-N 3.43Å; H93-T96 PolarHBondContact N-OG1 3.13Å; H93-T96 PolarHBondContact O-N 2.88Å; H93-T96 PolarHBondContact O-OG1 3.16Å; H93-T96 VanDerWaalsContact O-OG1 3.12Å; H93-C97 PolarHBondContact O-N 2.92Å
94P95.7Very high93.8Very high55 Ų5560.2 Ų60.236%0.35733%0.327SS..THydrogen-bonded Turntrans-57.8-27.5175.7-26.636.3000114.6T98 P120 I122P94-T98 VanDerWaalsContact O-CA 3.3Å; P94-T98 WeakPolarHBondContact O-CA 3.26Å; P94-T98 WeakPolarHBondContact O-CG2 3.49Å; P94-P120 HydrophobicContact CB-CB 4.07Å; P94-P120 HydrophobicContact CB-CG 3.99Å; P94-P120 HydrophobicContact CG-CB 4.42Å; P94-I122 HydrophobicContact CG-CG2 4.36Å
95D93.9Very high92.9Very high148 Ų14867.6 Ų67.679%0.79136%0.361SS*.THydrogen-bonded Turntrans-80.5-28.2-178.8-52-42000112.6H93H93-D95 PolarHBondContact O-N 3.43Å
96T92.8Very high92.3Very high94 Ų9476 Ų7658%0.57739%0.392SS*.THydrogen-bonded Turntrans-93.3-42.8-179.656.60000111.8H93H93-T96 PolarHBondContact N-OG1 3.13Å; H93-T96 PolarHBondContact O-N 2.88Å; H93-T96 PolarHBondContact O-OG1 3.16Å; H93-T96 VanDerWaalsContact O-OG1 3.12Å
97C95.9Very high91.9Very high16 Ų1674.7 Ų74.711%0.10838%0.38CS..  trans-116.866.3-177.9-56.40000109H93 Q99 P120 A121 H174H93-C97 PolarHBondContact O-N 2.92Å; C97-Q99 PolarHBondContact O-N 3.48Å; C97-P120 CarbonylContact O-C 3.59Å; C97-P120 VanDerWaalsContact O-CA 3.26Å; C97-P120 WeakPolarHBondContact O-CA 3.49Å; C97-A121 HydrophobicContact CB-CB 3.76Å; C97-A121 PolarHBondContact O-N 3.27Å; C97-H174 PolarHBondContact SG-NE2 3.35Å; C97-H174 VanDerWaalsContact SG-NE2 3.41Å
98T95.6Very high91.7Very high83 Ų8373.3 Ų73.351%0.50937%0.374SS..  trans-62.8-22.2-17556.40000113.5P94 C119 P120P94-T98 VanDerWaalsContact O-CA 3.3Å; P94-T98 WeakPolarHBondContact O-CA 3.26Å; P94-T98 WeakPolarHBondContact O-CG2 3.49Å; T98-C119 CarbonylContact O-C 3.59Å; T98-P120 VanDerWaalsContact O-CA 3.31Å; T98-P120 WeakPolarHBondContact O-CA 3.38Å
99Q94.7Very high91.5Very high61 Ų6177.1 Ų77.129%0.28539%0.394SS..SBendtrans-135.7152.3-179.6-66.1171.7-28.300110.6C97 T101 I107 E118 C119C97-Q99 PolarHBondContact O-N 3.48Å; Q99-T101 HydrophobicContact CB-CG2 4.34Å; Q99-T101 PolarHBondContact O-N 3.38Å; Q99-I107 HydrophobicContact CB-CG2 4.32Å; Q99-E118 VanDerWaalsContact NE2-CD 3.32Å; Q99-E118 PolarHBondContact NE2-OE2 2.97Å; Q99-C119 CarbonylContact C-O 3.54Å; Q99-C119 WeakPolarHBondContact CA-O 3.33Å
100M96Very high91.5Very high0 Ų073.1 Ų73.10%038%0.376CS..  trans-80.996.1173.3-174.472.1-176.700110.6F108 C119 A121 Y124 R165 I166 H169M100-F108 HydrophobicContact CB-CB 4.23Å; M100-F108 HydrophobicContact CG-CB 3.88Å; M100-F108 HydrophobicContact CG-CD2 4.03Å; M100-F108 HydrophobicContact CG-CG 4.47Å; M100-F108 WeakPolarHBondContact O-CB 3.47Å; M100-F108 WeakPolarHBondContact O-CD2 3.34Å; M100-F108 PolarHBondContact O-N 3.24Å; M100-C119 PolarHBondContact N-O 3.05Å; M100-C119 VanDerWaalsContact N-O 3.14Å; M100-A121 HydrophobicContact SD-CB 3.82Å; M100-Y124 HydrophobicContact CB-CD1 4.23Å; M100-Y124 HydrophobicContact CB-CD2 3.65Å; M100-Y124 HydrophobicContact CB-CE2 4.31Å; M100-Y124 HydrophobicContact CB-CG 3.62Å; M100-Y124 HydrophobicContact CE-CD1 3.69Å; M100-Y124 HydrophobicContact CE-CE1 3.97Å; M100-Y124 HydrophobicContact CE-CG 4.5Å; M100-Y124 HydrophobicContact CG-CD1 3.47Å; M100-Y124 VanDerWaalsContact CG-CD1 3.47Å; M100-Y124 HydrophobicContact CG-CD2 3.7Å; M100-Y124 HydrophobicContact CG-CE1 3.89Å; M100-Y124 HydrophobicContact CG-CE2 4.08Å; M100-Y124 HydrophobicContact CG-CG 3.4Å; M100-Y124 HydrophobicContact SD-CD1 3.53Å; M100-Y124 VanDerWaalsContact SD-CD1 3.53Å; M100-Y124 HydrophobicContact SD-CE1 4.28Å; M100-Y124 HydrophobicContact SD-CG 3.77Å; M100-R165 HydrophobicContact CE-CB 3.84Å; M100-R165 WeakPolarHBondContact CE-O 3.32Å; M100-I166 HydrophobicContact CE-CG1 4.27Å; M100-H169 HydrophobicContact CE-CB 3.6Å; M100-H169 HydrophobicContact SD-CB 4.14Å
101T94.3Very high91.5Very high28 Ų2872 Ų7217%0.17237%0.372CS..BIsolated β-bridgetrans-123.9160.2177.3550000111.1Q99 I107 H169 H173Q99-T101 HydrophobicContact CB-CG2 4.34Å; Q99-T101 PolarHBondContact O-N 3.38Å; T101-I107 HydrophobicContact CG2-CB 4.43Å; T101-I107 HydrophobicContact CG2-CG1 3.9Å; T101-H169 PolarHBondContact O-ND1 3.46Å; T101-H173 PolarHBondContact O-CD2 3.27Å; T101-H173 PolarHBondContact O-NE2 2.89Å; T101-H173 PolarHBondContact OG1-NE2 3.06Å
102A86.1Confident91.3Very high3 Ų370.5 Ų70.53%0.02538%0.375CS..SBendtrans-124-36.7167.900000111.3F108 F172 I207A102-F108 HydrophobicContact CB-CE2 3.8Å; A102-F108 HydrophobicContact CB-CZ 4.31Å; A102-F172 HydrophobicContact CB-CD2 4.04Å; A102-F172 WeakPolarHBondContact O-CB 3.45Å; A102-F172 VanDerWaalsContact O-CD2 3.29Å; A102-F172 WeakPolarHBondContact O-CD2 3.33Å; A102-F172 WeakPolarHBondContact O-CG 3.33Å; A102-I207 HydrophobicContact CB-CD1 3.68Å
103T85.4Confident91Very high51 Ų5172.9 Ų72.931%0.31339%0.386SS..SBendtrans-128.3167.916967.60000108.9Q105 I207T103-Q105 PolarHBondContact O-N 3.36Å; T103-Q105 VanDerWaalsContact O-N 3.14Å; T103-I207 HydrophobicContact CG2-CD1 4.32Å
104E79.1Confident90.7Very high207 Ų20779.4 Ų79.497%0.96741%0.414SS*.THydrogen-bonded Turntrans-67.3-10.1178.7-61-177.2170.900113.6
105Q79.4Confident90.6Very high155 Ų15582.1 Ų82.172%0.72443%0.429SS*.THydrogen-bonded Turntrans-83.8-29.5-172-66.4178.8-18.200113.7T103T103-Q105 PolarHBondContact O-N 3.36Å; T103-Q105 VanDerWaalsContact O-N 3.14Å
106W83.3Confident90.6Very high184 Ų18478.6 Ų78.670%0.69741%0.414SS*.  trans-142.1136.3-169.9-60.6102.9000112.6
107I88.6Confident90.6Very high69 Ų6979.4 Ų79.435%0.35441%0.41SS..BIsolated β-bridgetrans-102.2131.4172.4-58.1166.9000109.2Q99 T101 L109 E118Q99-I107 HydrophobicContact CB-CG2 4.32Å; T101-I107 HydrophobicContact CG2-CB 4.43Å; T101-I107 HydrophobicContact CG2-CG1 3.9Å; I107-L109 PolarHBondContact O-N 2.8Å; I107-E118 HydrophobicContact CG2-CG 4.1Å
108F92.5Very high90.6Very high37 Ų3783.3 Ų83.316%0.16243%0.426CS..  trans-88.4108.8176.4-58.7-53.4000111.2M100 A102 Y124 R165M100-F108 HydrophobicContact CB-CB 4.23Å; M100-F108 HydrophobicContact CG-CB 3.88Å; M100-F108 HydrophobicContact CG-CD2 4.03Å; M100-F108 HydrophobicContact CG-CG 4.47Å; M100-F108 WeakPolarHBondContact O-CB 3.47Å; M100-F108 WeakPolarHBondContact O-CD2 3.34Å; M100-F108 PolarHBondContact O-N 3.24Å; A102-F108 HydrophobicContact CB-CE2 3.8Å; A102-F108 HydrophobicContact CB-CZ 4.31Å; F108-Y124 HydrophobicContact CB-CE2 4.18Å; F108-Y124 WeakPolarHBondContact O-CE2 3.44Å; F108-R165 HydrophobicContact CD1-CG 3.91Å; F108-R165 VanDerWaalsContact CD1-NE 3.33Å; F108-R165 HydrophobicContact CD2-CB 3.86Å; F108-R165 HydrophobicContact CD2-CG 3.75Å; F108-R165 HydrophobicContact CE1-CG 3.92Å; F108-R165 HydrophobicContact CE2-CB 3.98Å; F108-R165 HydrophobicContact CE2-CG 3.76Å; F108-R165 HydrophobicContact CG-CB 4.3Å; F108-R165 HydrophobicContact CG-CG 3.82Å; F108-R165 HydrophobicContact CZ-CG 3.84Å
109L93.9Very high90.7Very high80 Ų8079.7 Ų79.742%0.41940%0.404SS..  trans-72138.8175.2-56-178.8000111.9I107 P116 E118I107-L109 PolarHBondContact O-N 2.8Å; L109-P116 HydrophobicContact CB-CB 3.88Å; L109-P116 HydrophobicContact CD1-CB 4.3Å; L109-E118 HydrophobicContact CD2-CG 3.71Å
110C94.3Very high90.8Very high2 Ų278.2 Ų78.21%0.01440%0.4CS..BIsolated β-bridgetrans-81.4122.9-178.8-176.90000111.4A112 P116 K117 C119 Y124C110-A112 VanDerWaalsContact C-N 3.35Å; C110-P116 WeakPolarHBondContact O-CA 3.42Å; C110-K117 WeakPolarHBondContact CB-O 3.48Å; C110-K117 PolarHBondContact N-O 2.58Å; C110-K117 PolarHBondContact O-N 3.13Å; C110-C119 HydrophobicContact CB-CB 4.14Å; C110-C119 VanDerWaalsContact CB-SG 3.51Å; C110-Y124 HydrophobicContact CB-CD2 3.81Å; C110-Y124 HydrophobicContact CB-CE2 4.12Å
111A92.1Very high90.8Very high60 Ų6078.2 Ų78.250%0.49640%0.4SS..THydrogen-bonded Turntrans-86.10.7-178.700000114.3H113A111-H113 PolarHBondContact O-N 3.4Å
112A90.9Very high91Very high62 Ų6277 Ų7751%0.51239%0.393SS..THydrogen-bonded Turntrans-73.7-10.3177.400000113.1C110 H127C110-A112 VanDerWaalsContact C-N 3.35Å; A112-H127 HydrophobicContact CB-CB 3.82Å
113H91.6Very high91.5Very high53 Ų5379.2 Ų79.225%0.24540%0.404CS..SBendtrans-102.2154-179.2-51.9-62.4000111.1A111 T115 K117 C119 H127A111-H113 PolarHBondContact O-N 3.4Å; H113-T115 WeakPolarHBondContact CB-O 3.4Å; H113-T115 PolarHBondContact O-N 3.17Å; H113-K117 HydrophobicContact CB-CG 4.12Å; H113-K117 WeakPolarHBondContact CD2-CE 3.26Å; H113-K117 WeakPolarHBondContact CD2-CG 3.33Å; H113-K117 WeakPolarHBondContact CE1-CE 3.44Å; H113-K117 WeakPolarHBondContact ND1-CE 3.33Å; H113-K117 WeakPolarHBondContact NE2-CE 3.25Å; H113-C119 PolarHBondContact NE2-SG 3.03Å; H113-H127 AromaticContact CE1-CE1 3.87Å; H113-H127 AromaticContact NE2-CE1 3.91Å; H113-H127 AromaticContact NE2-ND1 3.96Å
114K88.9Confident92.1Very high220 Ų22076.8 Ų76.896%0.95739%0.389SS*.SBendtrans-52.8-42.9177.8-72.9-174.1178.6-179.20112.1
115T92.8Very high92.9Very high111 Ų11167 Ų6768%0.68134%0.343SS*.SBendtrans-113.4125.1169.9-52.90000107.2H113 K117H113-T115 WeakPolarHBondContact CB-O 3.4Å; H113-T115 PolarHBondContact O-N 3.17Å; T115-K117 PolarHBondContact O-N 3.12Å
116P93.7Very high93.8Very high74 Ų7464 Ų6448%0.48133%0.326SS..  trans-53.1129.1177.8-26.934.9000111L109 C110L109-P116 HydrophobicContact CB-CB 3.88Å; L109-P116 HydrophobicContact CD1-CB 4.3Å; C110-P116 WeakPolarHBondContact O-CA 3.42Å
117K94.5Very high94.5Very high111 Ų11158.2 Ų58.248%0.48331%0.306SS..BIsolated β-bridgetrans-138.7164.5-178.864.2164.4-174.3168.70111.2C110 H113 T115C110-K117 WeakPolarHBondContact CB-O 3.48Å; C110-K117 PolarHBondContact N-O 2.58Å; C110-K117 PolarHBondContact O-N 3.13Å; H113-K117 HydrophobicContact CB-CG 4.12Å; H113-K117 WeakPolarHBondContact CD2-CE 3.26Å; H113-K117 WeakPolarHBondContact CD2-CG 3.33Å; H113-K117 WeakPolarHBondContact CE1-CE 3.44Å; H113-K117 WeakPolarHBondContact ND1-CE 3.33Å; H113-K117 WeakPolarHBondContact NE2-CE 3.25Å; T115-K117 PolarHBondContact O-N 3.12Å
118E95.6Very high94.9Very high98 Ų9855.2 Ų55.246%0.45829%0.291SS..  trans-66.5144173.1-61.6172.8-169.900110.4Q99 I107 L109Q99-E118 VanDerWaalsContact NE2-CD 3.32Å; Q99-E118 PolarHBondContact NE2-OE2 2.97Å; I107-E118 HydrophobicContact CG2-CG 4.1Å; L109-E118 HydrophobicContact CD2-CG 3.71Å
119C96.6Very high95.1Very high7 Ų753.9 Ų53.95%0.04729%0.286CS..  trans-139.5149.1173.1-71.30000108T98 Q99 M100 C110 H113T98-C119 CarbonylContact O-C 3.59Å; Q99-C119 CarbonylContact C-O 3.54Å; Q99-C119 WeakPolarHBondContact CA-O 3.33Å; M100-C119 PolarHBondContact N-O 3.05Å; M100-C119 VanDerWaalsContact N-O 3.14Å; C110-C119 HydrophobicContact CB-CB 4.14Å; C110-C119 VanDerWaalsContact CB-SG 3.51Å; H113-C119 PolarHBondContact NE2-SG 3.03Å
120P97.3Very high95.2Very high31 Ų3154.9 Ų54.920%0.20129%0.291CS..  trans-47.7142.9162.1-28.737.2000111.5P94 C97 T98 I122 D123 Y124P94-P120 HydrophobicContact CB-CB 4.07Å; P94-P120 HydrophobicContact CB-CG 3.99Å; P94-P120 HydrophobicContact CG-CB 4.42Å; C97-P120 CarbonylContact O-C 3.59Å; C97-P120 VanDerWaalsContact O-CA 3.26Å; C97-P120 WeakPolarHBondContact O-CA 3.49Å; T98-P120 VanDerWaalsContact O-CA 3.31Å; T98-P120 WeakPolarHBondContact O-CA 3.38Å; P120-I122 PolarHBondContact O-N 3.25Å; P120-D123 HydrophobicContact CB-CB 4.37Å; P120-D123 PolarHBondContact O-N 3.38Å; P120-Y124 PolarHBondContact O-N 3.4Å
121A96.9Very high95.3Very high0 Ų056.1 Ų56.10%030%0.304CS..Hα-helixtrans-59.7-35.9-172.700000112.7C97 M100 Y124 T125 H169C97-A121 HydrophobicContact CB-CB 3.76Å; C97-A121 PolarHBondContact O-N 3.27Å; M100-A121 HydrophobicContact SD-CB 3.82Å; A121-Y124 PolarHBondContact O-N 3.22Å; A121-T125 WeakPolarHBondContact O-CB 3.29Å; A121-T125 PolarHBondContact O-N 3.02Å; A121-T125 PolarHBondContact O-OG1 2.79Å; A121-H169 WeakPolarHBondContact CB-CE1 3.38Å; A121-H169 VanDerWaalsContact CB-NE2 3.26Å; A121-H169 WeakPolarHBondContact CB-NE2 3.36Å
122I97.1Very high95.6Very high3 Ų353.3 Ų53.32%0.01528%0.281CS..Hα-helixtrans-67.7-37.8176.6-164.861.7000112.4L88 Q89 C92 P94 P120 T125 R126L88-I122 HydrophobicContact CB-CD1 4.27Å; Q89-I122 HydrophobicContact CG-CD1 3.8Å; Q89-I122 HydrophobicContact CG-CG1 4.23Å; C92-I122 HydrophobicContact CB-CB 4.41Å; C92-I122 HydrophobicContact CB-CD1 4.31Å; C92-I122 WeakPolarHBondContact O-CB 3.06Å; P94-I122 HydrophobicContact CG-CG2 4.36Å; P120-I122 PolarHBondContact O-N 3.25Å; I122-T125 WeakPolarHBondContact O-CB 3.29Å; I122-T125 PolarHBondContact O-N 3.12Å; I122-R126 WeakPolarHBondContact O-CG 3.17Å; I122-R126 PolarHBondContact O-N 3.35Å
123D97.1Very high95.8Very high48 Ų4852.5 Ų52.526%0.25727%0.274SS..Hα-helixtrans-73.9-38.3177.3-65.2-25.4000110.9P120 T125 R126 H127P120-D123 HydrophobicContact CB-CB 4.37Å; P120-D123 PolarHBondContact O-N 3.38Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 2.92Å; D123-R126 PolarHBondContact O-N 3.25Å; D123-R126 IonicContact OD1-NH1 2.58Å; D123-R126 PolarHBondContact OD1-NH1 2.69Å; D123-H127 VanDerWaalsContact O-CB 3.32Å; D123-H127 WeakPolarHBondContact O-CB 3.33Å; D123-H127 PolarHBondContact O-N 2.57Å; D123-H127 PolarHBondContact O-ND1 2.87Å; D123-H127 VanDerWaalsContact O-ND1 3.11Å
124Y97.8Very high96Very high1 Ų154.5 Ų54.50%0.00429%0.293CS..Hα-helixtrans-56.1-44.9169.8-175.3-79.2000111.4M100 F108 C110 P120 A121 H127 T128 R165M100-Y124 HydrophobicContact CB-CD1 4.23Å; M100-Y124 HydrophobicContact CB-CD2 3.65Å; M100-Y124 HydrophobicContact CB-CE2 4.31Å; M100-Y124 HydrophobicContact CB-CG 3.62Å; M100-Y124 HydrophobicContact CE-CD1 3.69Å; M100-Y124 HydrophobicContact CE-CE1 3.97Å; M100-Y124 HydrophobicContact CE-CG 4.5Å; M100-Y124 HydrophobicContact CG-CD1 3.47Å; M100-Y124 VanDerWaalsContact CG-CD1 3.47Å; M100-Y124 HydrophobicContact CG-CD2 3.7Å; M100-Y124 HydrophobicContact CG-CE1 3.89Å; M100-Y124 HydrophobicContact CG-CE2 4.08Å; M100-Y124 HydrophobicContact CG-CG 3.4Å; M100-Y124 HydrophobicContact SD-CD1 3.53Å; M100-Y124 VanDerWaalsContact SD-CD1 3.53Å; M100-Y124 HydrophobicContact SD-CE1 4.28Å; M100-Y124 HydrophobicContact SD-CG 3.77Å; F108-Y124 HydrophobicContact CB-CE2 4.18Å; F108-Y124 WeakPolarHBondContact O-CE2 3.44Å; C110-Y124 HydrophobicContact CB-CD2 3.81Å; C110-Y124 HydrophobicContact CB-CE2 4.12Å; P120-Y124 PolarHBondContact O-N 3.4Å; A121-Y124 PolarHBondContact O-N 3.22Å; Y124-H127 PolarHBondContact O-N 3.44Å; Y124-T128 WeakPolarHBondContact CD1-OG1 3.5Å; Y124-T128 WeakPolarHBondContact CE1-OG1 3.33Å; Y124-T128 VanDerWaalsContact O-CB 3.23Å; Y124-T128 WeakPolarHBondContact O-CB 3.24Å; Y124-T128 PolarHBondContact O-N 3.08Å; Y124-T128 PolarHBondContact O-OG1 3.09Å; Y124-R165 HydrophobicContact CE1-CB 4.39Å; Y124-R165 VanDerWaalsContact OH-CD 3.3Å; Y124-R165 WeakPolarHBondContact OH-CD 3.45Å; Y124-R165 PolarHBondContact OH-NH1 2.88Å
125T97.3Very high96.3Very high1 Ų145.4 Ų45.41%0.00626%0.255CS..Hα-helixtrans-60.2-49.8179-63.80000110.7A85 A121 I122 D123 T128 L129 I166A85-T125 HydrophobicContact CB-CG2 3.79Å; A121-T125 WeakPolarHBondContact O-CB 3.29Å; A121-T125 PolarHBondContact O-N 3.02Å; A121-T125 PolarHBondContact O-OG1 2.79Å; I122-T125 WeakPolarHBondContact O-CB 3.29Å; I122-T125 PolarHBondContact O-N 3.12Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 2.92Å; T125-T128 PolarHBondContact O-N 2.77Å; T125-L129 HydrophobicContact CG2-CD1 4.01Å; T125-L129 WeakPolarHBondContact O-CG 3.5Å; T125-L129 PolarHBondContact O-N 2.84Å; T125-I166 HydrophobicContact CG2-CD1 4.06Å; T125-I166 HydrophobicContact CG2-CG1 4.28Å; T125-I166 HydrophobicContact CG2-CG2 3.86Å
126R96.9Very high96.5Very high92 Ų9240.3 Ų40.335%0.34722%0.223SC..Hα-helixtrans-58.6-54.1175.6-69171.1-178.2129.4-0.7111.8I122 D123 T128 L129 D130I122-R126 WeakPolarHBondContact O-CG 3.17Å; I122-R126 PolarHBondContact O-N 3.35Å; D123-R126 PolarHBondContact O-N 3.25Å; D123-R126 IonicContact OD1-NH1 2.58Å; D123-R126 PolarHBondContact OD1-NH1 2.69Å; R126-T128 PolarHBondContact O-N 2.77Å; R126-L129 PolarHBondContact O-N 2.82Å; R126-D130 WeakPolarHBondContact O-CB 3.4Å; R126-D130 PolarHBondContact O-N 3.15Å
127H97.4Very high96.5Very high63 Ų6340.9 Ų40.929%0.29222%0.222SC..Hα-helixtrans-56.7-37.1178.5-68.9151.2000113.1A112 H113 D123 Y124 G131A112-H127 HydrophobicContact CB-CB 3.82Å; H113-H127 AromaticContact CE1-CE1 3.87Å; H113-H127 AromaticContact NE2-CE1 3.91Å; H113-H127 AromaticContact NE2-ND1 3.96Å; D123-H127 VanDerWaalsContact O-CB 3.32Å; D123-H127 WeakPolarHBondContact O-CB 3.33Å; D123-H127 PolarHBondContact O-N 2.57Å; D123-H127 PolarHBondContact O-ND1 2.87Å; D123-H127 VanDerWaalsContact O-ND1 3.11Å; Y124-H127 PolarHBondContact O-N 3.44Å; H127-G131 PolarHBondContact O-N 3.46Å
128T97.3Very high96.6Very high6 Ų637.1 Ų37.14%0.03721%0.21CC..Hα-helixtrans-70.4-46.1178.9-66.40000111.5Y124 T125 R126 G131 A132 R162 I166Y124-T128 WeakPolarHBondContact CD1-OG1 3.5Å; Y124-T128 WeakPolarHBondContact CE1-OG1 3.33Å; Y124-T128 VanDerWaalsContact O-CB 3.23Å; Y124-T128 WeakPolarHBondContact O-CB 3.24Å; Y124-T128 PolarHBondContact O-N 3.08Å; Y124-T128 PolarHBondContact O-OG1 3.09Å; T125-T128 PolarHBondContact O-N 2.77Å; R126-T128 PolarHBondContact O-N 2.77Å; T128-G131 PolarHBondContact O-N 2.99Å; T128-A132 VanDerWaalsContact O-CB 3.32Å; T128-A132 WeakPolarHBondContact O-CB 3.2Å; T128-A132 PolarHBondContact O-N 2.93Å; T128-R162 HydrophobicContact CG2-CB 3.73Å; T128-I166 HydrophobicContact CG2-CD1 3.79Å
129L97.4Very high96.5Very high9 Ų938.8 Ų38.85%0.04722%0.222CC..Hα-helixtrans-65.7-44.9178-73.8169.4000111.5L81 A85 T125 R126 G131 A132 A133 I166L81-L129 HydrophobicContact CB-CD2 4.09Å; L81-L129 HydrophobicContact CD2-CD2 3.85Å; L81-L129 HydrophobicContact CG-CD2 4.04Å; A85-L129 HydrophobicContact CB-CD1 3.65Å; T125-L129 HydrophobicContact CG2-CD1 4.01Å; T125-L129 WeakPolarHBondContact O-CG 3.5Å; T125-L129 PolarHBondContact O-N 2.84Å; R126-L129 PolarHBondContact O-N 2.82Å; L129-G131 VanDerWaalsContact C-N 3.35Å; L129-G131 PolarHBondContact O-N 3.43Å; L129-A132 PolarHBondContact O-N 3.47Å; L129-A133 WeakPolarHBondContact O-CB 3.36Å; L129-A133 PolarHBondContact O-N 2.82Å; L129-I166 HydrophobicContact CG-CD1 4.31Å
130D96.8Very high96.4Very high101 Ų10146.2 Ų46.254%0.5425%0.254SS..Hα-helixtrans-62.7-43.1175.5-70.6-21.5000111.2R126 A133 C134R126-D130 WeakPolarHBondContact O-CB 3.4Å; R126-D130 PolarHBondContact O-N 3.15Å; D130-A133 PolarHBondContact O-N 3.1Å; D130-C134 WeakPolarHBondContact O-CB 3.16Å; D130-C134 PolarHBondContact O-N 3.34Å; D130-C134 PolarHBondContact O-SG 2.66Å
131G96.1Very high96.2Very high28 Ų2848.4 Ų48.429%0.28926%0.258SS..Hα-helixtrans-64.1-39.7176.500000112.7H127 T128 L129 L135H127-G131 PolarHBondContact O-N 3.46Å; T128-G131 PolarHBondContact O-N 2.99Å; L129-G131 VanDerWaalsContact C-N 3.35Å; L129-G131 PolarHBondContact O-N 3.43Å; G131-L135 WeakPolarHBondContact O-CB 3.35Å; G131-L135 PolarHBondContact O-N 2.82Å
132A96.7Very high96.1Very high1 Ų148.7 Ų48.71%0.00826%0.26CS..Hα-helixtrans-65.9-46174.500000111T128 L129 L135 L136 V159T128-A132 VanDerWaalsContact O-CB 3.32Å; T128-A132 WeakPolarHBondContact O-CB 3.2Å; T128-A132 PolarHBondContact O-N 2.93Å; L129-A132 PolarHBondContact O-N 3.47Å; A132-L135 PolarHBondContact O-N 2.95Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 VanDerWaalsContact O-CG 3.24Å; A132-L136 WeakPolarHBondContact O-CG 3.34Å; A132-L136 PolarHBondContact O-N 3.27Å; A132-V159 HydrophobicContact CB-CG1 3.81Å
133A95.7Very high95.9Very high44 Ų4452.2 Ų52.236%0.36428%0.283SS..Hα-helixtrans-60.9-45.7176.400000111.8L129 D130 L135 N137L129-A133 WeakPolarHBondContact O-CB 3.36Å; L129-A133 PolarHBondContact O-N 2.82Å; D130-A133 PolarHBondContact O-N 3.1Å; A133-L135 PolarHBondContact O-N 3.2Å; A133-N137 WeakPolarHBondContact O-CB 3.44Å; A133-N137 PolarHBondContact O-N 2.96Å; A133-N137 PolarHBondContact O-ND2 3.4Å
134C96.1Very high95.7Very high95 Ų9551.7 Ų51.764%0.64228%0.283SS*.Hα-helixtrans-59.6-44.6176.2-72.40000111.9D130 S138D130-C134 WeakPolarHBondContact O-CB 3.16Å; D130-C134 PolarHBondContact O-N 3.34Å; D130-C134 PolarHBondContact O-SG 2.66Å; C134-S138 WeakPolarHBondContact O-CB 3.4Å; C134-S138 PolarHBondContact O-N 3.04Å
135L95.8Very high95.4Very high30 Ų3054.4 Ų54.416%0.15729%0.293CS..Hα-helixtrans-68.6-50.8-179.2175.759.3000111.7G131 A132 A133 N137 S138 Y141 F142 K155 V159G131-L135 WeakPolarHBondContact O-CB 3.35Å; G131-L135 PolarHBondContact O-N 2.82Å; A132-L135 PolarHBondContact O-N 2.95Å; A133-L135 PolarHBondContact O-N 3.2Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 3.45Å; L135-S138 VanDerWaalsContact O-CB 3.3Å; L135-S138 WeakPolarHBondContact O-CB 3.29Å; L135-S138 PolarHBondContact O-N 2.89Å; L135-S138 VanDerWaalsContact O-N 3.14Å; L135-Y141 HydrophobicContact CD1-CD2 3.52Å; L135-Y141 HydrophobicContact CD1-CE2 4.12Å; L135-Y141 HydrophobicContact CD1-CG 3.93Å; L135-F142 HydrophobicContact CD1-CE2 4.27Å; L135-F142 HydrophobicContact CG-CE2 4.2Å; L135-F142 VanDerWaalsContact O-CD2 3.28Å; L135-F142 WeakPolarHBondContact O-CD2 3.48Å; L135-K155 HydrophobicContact CD1-CD 4.29Å; L135-V159 HydrophobicContact CD2-CG2 3.57Å
136L95.8Very high95.2Very high3 Ų358.7 Ų58.72%0.01632%0.319CS..Hα-helixtrans-70.2-24.6-173.9-65.5169.6000112.6Y71 L74 R75 A132 F142 L156Y71-L136 HydrophobicContact CD2-CD2 3.9Å; Y71-L136 HydrophobicContact CE2-CB 4.16Å; Y71-L136 HydrophobicContact CE2-CD2 3.88Å; Y71-L136 WeakPolarHBondContact CE2-O 3.49Å; Y71-L136 PolarHBondContact OH-O 3.03Å; L74-L136 HydrophobicContact CD2-CD1 4.39Å; L74-L136 HydrophobicContact CD2-CD2 4.14Å; L74-L136 HydrophobicContact CG-CD1 4.16Å; R75-L136 HydrophobicContact CG-CB 4.08Å; R75-L136 HydrophobicContact CG-CD1 4Å; R75-L136 HydrophobicContact CG-CG 4.47Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 VanDerWaalsContact O-CG 3.24Å; A132-L136 WeakPolarHBondContact O-CG 3.34Å; A132-L136 PolarHBondContact O-N 3.27Å; L136-F142 HydrophobicContact CD2-CE2 4.18Å; L136-F142 HydrophobicContact CD2-CZ 4.17Å; L136-L156 HydrophobicContact CD2-CD2 3.92Å
137N94.4Very high95Very high86 Ų8658 Ų5846%0.4633%0.329SS..THydrogen-bonded Turntrans-98.28.2174.2-61.5-70.7000113.2R75 A133 L135 N139R75-N137 PolarHBondContact NH2-OD1 3.31Å; A133-N137 WeakPolarHBondContact O-CB 3.44Å; A133-N137 PolarHBondContact O-N 2.96Å; A133-N137 PolarHBondContact O-ND2 3.4Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 3.45Å; N137-N139 PolarHBondContact O-N 3.29Å
138S95.6Very high94.8Very high33 Ų3355.9 Ų55.923%0.23132%0.32CS..  trans-79115.4-179.7-175.70000111.3C134 L135 K140 Y141 F142C134-S138 WeakPolarHBondContact O-CB 3.4Å; C134-S138 PolarHBondContact O-N 3.04Å; L135-S138 VanDerWaalsContact O-CB 3.3Å; L135-S138 WeakPolarHBondContact O-CB 3.29Å; L135-S138 PolarHBondContact O-N 2.89Å; L135-S138 VanDerWaalsContact O-N 3.14Å; S138-K140 PolarHBondContact O-N 2.84Å; S138-K140 PolarHBondContact OG-N 3.47Å; S138-Y141 PolarHBondContact O-N 2.9Å; S138-F142 CarbonylContact O-C 3.54Å; S138-F142 PolarHBondContact O-N 3.2Å
139N94.2Very high94.7Very high133 Ų13361.8 Ų61.871%0.71135%0.345SS*.THydrogen-bonded Turntrans-57.8-19.2172.6-68.8-21.1000113.6N137 P143N137-N139 PolarHBondContact O-N 3.29Å; N139-P143 WeakPolarHBondContact O-CA 3.02Å; N139-P143 WeakPolarHBondContact O-CB 3.42Å
140K94.6Very high94.4Very high162 Ų16268.3 Ų68.370%0.70438%0.375SS*.THydrogen-bonded Turntrans-70.3-39.7174.9-179.6179.5179179.60112.2S138S138-K140 PolarHBondContact O-N 2.84Å; S138-K140 PolarHBondContact OG-N 3.47Å
141Y92.6Very high94.3Very high77 Ų7767.6 Ų67.630%0.30238%0.378SS..THydrogen-bonded Turntrans-102.8-35.9-174.9-61.8-62.3000111.8L135 S138 P143 S152 K155L135-Y141 HydrophobicContact CD1-CD2 3.52Å; L135-Y141 HydrophobicContact CD1-CE2 4.12Å; L135-Y141 HydrophobicContact CD1-CG 3.93Å; S138-Y141 PolarHBondContact O-N 2.9Å; Y141-P143 WeakPolarHBondContact O-CD 3.38Å; Y141-S152 WeakPolarHBondContact O-CB 3.47Å; Y141-S152 PolarHBondContact O-OG 3.13Å; Y141-K155 HydrophobicContact CD1-CD 4.12Å; Y141-K155 VanDerWaalsContact CD1-CE 3.45Å; Y141-K155 HydrophobicContact CG-CD 4.37Å
142F94.6Very high94.2Very high6 Ų666.5 Ų66.53%0.02637%0.365CS..  trans-126.474.4179.2-60.6-86.7000108.9Y71 L135 L136 S138 S144 I148 L156Y71-F142 AromaticContact CD2-CD1 3.41Å; Y71-F142 HydrophobicContact CD2-CD1 3.41Å; Y71-F142 VanDerWaalsContact CD2-CD1 3.41Å; Y71-F142 AromaticContact CD2-CE1 3.44Å; Y71-F142 HydrophobicContact CD2-CE1 3.44Å; Y71-F142 VanDerWaalsContact CD2-CE1 3.44Å; Y71-F142 HydrophobicContact CD2-CG 4.09Å; Y71-F142 HydrophobicContact CD2-CZ 4.16Å; Y71-F142 HydrophobicContact CE2-CB 3.95Å; Y71-F142 AromaticContact CE2-CD1 3.33Å; Y71-F142 HydrophobicContact CE2-CD1 3.33Å; Y71-F142 HydrophobicContact CE2-CD2 4.12Å; Y71-F142 AromaticContact CE2-CE1 3.77Å; Y71-F142 HydrophobicContact CE2-CE1 3.77Å; Y71-F142 HydrophobicContact CE2-CE2 4.49Å; Y71-F142 AromaticContact CE2-CG 3.52Å; Y71-F142 HydrophobicContact CE2-CG 3.52Å; Y71-F142 HydrophobicContact CE2-CZ 4.34Å; Y71-F142 HydrophobicContact CG-CD1 4.25Å; Y71-F142 HydrophobicContact CG-CE1 4.35Å; L135-F142 HydrophobicContact CD1-CE2 4.27Å; L135-F142 HydrophobicContact CG-CE2 4.2Å; L135-F142 VanDerWaalsContact O-CD2 3.28Å; L135-F142 WeakPolarHBondContact O-CD2 3.48Å; L136-F142 HydrophobicContact CD2-CE2 4.18Å; L136-F142 HydrophobicContact CD2-CZ 4.17Å; S138-F142 CarbonylContact O-C 3.54Å; S138-F142 PolarHBondContact O-N 3.2Å; F142-S144 PolarHBondContact O-N 3.24Å; F142-I148 HydrophobicContact CD1-CD1 4.29Å; F142-I148 HydrophobicContact CD1-CG2 4.13Å; F142-I148 HydrophobicContact CE1-CG2 4.06Å; F142-L156 HydrophobicContact CE1-CD2 4.16Å; F142-L156 HydrophobicContact CZ-CD2 3.88Å
143P93.4Very high94Very high77 Ų7766.9 Ų66.950%0.537%0.368SS..SBendtrans-70.5-15.7-177.928.4-35.6000113.8N139 Y141N139-P143 WeakPolarHBondContact O-CA 3.02Å; N139-P143 WeakPolarHBondContact O-CB 3.42Å; Y141-P143 WeakPolarHBondContact O-CD 3.38Å
144S93.1Very high93.9Very high38 Ų3868.6 Ų68.627%0.26638%0.382SS..  trans-138.7152178.8175.70000108.9F142 V146 S147 I148F142-S144 PolarHBondContact O-N 3.24Å; S144-V146 WeakPolarHBondContact OG-CG2 3.42Å; S144-V146 PolarHBondContact OG-N 3.25Å; S144-S147 WeakPolarHBondContact CB-O 3.36Å; S144-S147 PolarHBondContact OG-N 2.76Å; S144-I148 WeakPolarHBondContact O-CD1 3.3Å
145R91.6Very high93.8Very high57 Ų5767 Ų6722%0.21536%0.364CS..SBendtrans-101.3-11.1173-60.8-170.171.6-170.6-12.4113.1V68 Y71 E72 R75V68-R145 WeakPolarHBondContact CG1-O 3.47Å; Y71-R145 HydrophobicContact CE1-CB 4.36Å; Y71-R145 HydrophobicContact CE1-CG 4.09Å; E72-R145 IonicContact OE1-CZ 3.88Å; E72-R145 VanDerWaalsContact OE1-CZ 3.23Å; E72-R145 IonicContact OE1-NE 3.81Å; E72-R145 PolarHBondContact OE1-NE 3.18Å; E72-R145 IonicContact OE1-NH2 3.88Å; E72-R145 PolarHBondContact OE1-NH2 3.13Å; E72-R145 IonicContact OE2-CZ 3.53Å; E72-R145 IonicContact OE2-NH2 2.74Å; E72-R145 PolarHBondContact OE2-NH2 3.04Å; R75-R145 VanDerWaalsContact CZ-CZ 3.42Å; R75-R145 VanDerWaalsContact CZ-NH2 3.3Å; R75-R145 VanDerWaalsContact NH1-CZ 3.33Å
146V92.3Very high93.8Very high91 Ų9165.7 Ų65.755%0.55236%0.357SS*.SBendtrans-104.1-9.7178.8-59.90000112.8V68 S144V68-V146 WeakPolarHBondContact CG2-O 3.22Å; S144-V146 WeakPolarHBondContact OG-CG2 3.42Å; S144-V146 PolarHBondContact OG-N 3.25Å
147S92.8Very high93.8Very high79 Ų7965.9 Ų65.955%0.55236%0.36SS*.SBendtrans-145.4112176.61790000109.4S144S144-S147 WeakPolarHBondContact CB-O 3.36Å; S144-S147 PolarHBondContact OG-N 2.76Å
148I94.9Very high93.8Very high18 Ų1863.7 Ų63.79%0.09235%0.351CS..  trans-105.3129.3-177.7-51.5-53.1000109.4V68 Y71 F142 S144 V153V68-I148 HydrophobicContact CB-CG1 4.25Å; V68-I148 HydrophobicContact CG2-CG1 3.75Å; Y71-I148 HydrophobicContact CD1-CD1 3.74Å; Y71-I148 HydrophobicContact CD1-CG1 4.28Å; Y71-I148 HydrophobicContact CE1-CD1 4.14Å; Y71-I148 HydrophobicContact CG-CD1 3.99Å; Y71-I148 HydrophobicContact CG-CG1 4.26Å; F142-I148 HydrophobicContact CD1-CD1 4.29Å; F142-I148 HydrophobicContact CD1-CG2 4.13Å; F142-I148 HydrophobicContact CE1-CG2 4.06Å; S144-I148 WeakPolarHBondContact O-CD1 3.3Å; I148-V153 HydrophobicContact CG2-CG2 3.77Å
149K94.2Very high93.8Very high130 Ų13062.2 Ų62.257%0.56534%0.341SS*.  trans-72.9143.5175.1-62.7-177.6-179.8-178.10110.2S151 S152 V153K149-S151 PolarHBondContact O-N 2.98Å; K149-S152 WeakPolarHBondContact O-CA 3.3Å; K149-S152 VanDerWaalsContact O-CB 3.25Å; K149-S152 WeakPolarHBondContact O-CB 3.16Å; K149-S152 PolarHBondContact O-N 2.93Å; K149-V153 PolarHBondContact O-N 2.85Å; K149-V153 VanDerWaalsContact O-N 3.13Å
150E91.7Very high94Very high146 Ų14655.9 Ų55.968%0.68231%0.307SS*.Hα-helixtrans-56.4-38.4177.5-170.554.3-141.700112.9S152 V153 A154E150-S152 PolarHBondContact O-N 3.1Å; E150-S152 VanDerWaalsContact O-N 3.15Å; E150-V153 WeakPolarHBondContact O-CB 3.46Å; E150-V153 PolarHBondContact O-N 3.21Å; E150-V153 VanDerWaalsContact O-N 3.1Å; E150-A154 PolarHBondContact O-N 3.47Å
151S93.6Very high94.1Very high85 Ų8553.2 Ų53.259%0.59429%0.293SS*.Hα-helixtrans-62.8-22.1175.459.50000113.8K149K149-S151 PolarHBondContact O-N 2.98Å
152S94.4Very high94.2Very high5 Ų552.1 Ų52.14%0.03529%0.288CS..Hα-helixtrans-85.4-37.1174.3-52.70000111.4Y141 K149 E150 A154 K155Y141-S152 WeakPolarHBondContact O-CB 3.47Å; Y141-S152 PolarHBondContact O-OG 3.13Å; K149-S152 WeakPolarHBondContact O-CA 3.3Å; K149-S152 VanDerWaalsContact O-CB 3.25Å; K149-S152 WeakPolarHBondContact O-CB 3.16Å; K149-S152 PolarHBondContact O-N 2.93Å; E150-S152 PolarHBondContact O-N 3.1Å; E150-S152 VanDerWaalsContact O-N 3.15Å; S152-A154 VanDerWaalsContact C-N 3.28Å; S152-A154 PolarHBondContact O-N 3.13Å; S152-K155 WeakPolarHBondContact O-CB 3.45Å; S152-K155 PolarHBondContact O-N 3.38Å
153V93.8Very high94.3Very high9 Ų951.8 Ų51.86%0.05529%0.287CS..Hα-helixtrans-58.1-41.3172.7179.40000110.9K70 I148 K149 E150 K155 L156K70-V153 HydrophobicContact CD-CG1 4.18Å; I148-V153 HydrophobicContact CG2-CG2 3.77Å; K149-V153 PolarHBondContact O-N 2.85Å; K149-V153 VanDerWaalsContact O-N 3.13Å; E150-V153 WeakPolarHBondContact O-CB 3.46Å; E150-V153 PolarHBondContact O-N 3.21Å; E150-V153 VanDerWaalsContact O-N 3.1Å; V153-K155 PolarHBondContact O-N 3.16Å; V153-L156 HydrophobicContact CG1-CD1 4.2Å; V153-L156 VanDerWaalsContact O-CB 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.25Å; V153-L156 VanDerWaalsContact O-CG 3.3Å; V153-L156 WeakPolarHBondContact O-CG 3.39Å; V153-L156 PolarHBondContact O-N 3.03Å
154A92.6Very high94.5Very high80 Ų8048.3 Ų48.366%0.66126%0.264SS*.Hα-helixtrans-56.4-21.4176.400000114.1E150 S152E150-A154 PolarHBondContact O-N 3.47Å; S152-A154 VanDerWaalsContact C-N 3.28Å; S152-A154 PolarHBondContact O-N 3.13Å
155K93.6Very high94.7Very high63 Ų6349.8 Ų49.827%0.27426%0.263SS..Hα-helixtrans-80.9-23.7177.9-58.8177.3178-114.20112.9L135 Y141 S152 V153 G157 S158L135-K155 HydrophobicContact CD1-CD 4.29Å; Y141-K155 HydrophobicContact CD1-CD 4.12Å; Y141-K155 VanDerWaalsContact CD1-CE 3.45Å; Y141-K155 HydrophobicContact CG-CD 4.37Å; S152-K155 WeakPolarHBondContact O-CB 3.45Å; S152-K155 PolarHBondContact O-N 3.38Å; V153-K155 PolarHBondContact O-N 3.16Å; K155-G157 VanDerWaalsContact C-N 3.34Å; K155-G157 PolarHBondContact O-N 2.93Å; K155-S158 PolarHBondContact O-N 2.91Å; K155-S158 PolarHBondContact O-OG 3.36Å
156L96.4Very high95Very high1 Ų147.1 Ų47.11%0.00525%0.253CS..Hα-helixtrans-61-41-172.8-58.6-180000111.7K70 Y71 L74 L136 F142 V153 S158 V159 C160K70-L156 HydrophobicContact CB-CD1 3.72Å; Y71-L156 HydrophobicContact CD2-CD2 4.49Å; L74-L156 HydrophobicContact CD2-CB 3.99Å; L74-L156 HydrophobicContact CD2-CD2 3.61Å; L74-L156 HydrophobicContact CD2-CG 4.34Å; L136-L156 HydrophobicContact CD2-CD2 3.92Å; F142-L156 HydrophobicContact CE1-CD2 4.16Å; F142-L156 HydrophobicContact CZ-CD2 3.88Å; V153-L156 HydrophobicContact CG1-CD1 4.2Å; V153-L156 VanDerWaalsContact O-CB 3.3Å; V153-L156 WeakPolarHBondContact O-CB 3.25Å; V153-L156 VanDerWaalsContact O-CG 3.3Å; V153-L156 WeakPolarHBondContact O-CG 3.39Å; V153-L156 PolarHBondContact O-N 3.03Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 3.01Å; L156-V159 WeakPolarHBondContact O-CB 3.37Å; L156-V159 PolarHBondContact O-N 3.31Å; L156-C160 PolarHBondContact O-N 3.2Å; L156-C160 PolarHBondContact O-SG 3.4Å
157G95.7Very high95.2Very high8 Ų842.8 Ų42.88%0.08223%0.227CC..Hα-helixtrans-59.2-36.317900000113.4K155 V159 C160 R161K155-G157 VanDerWaalsContact C-N 3.34Å; K155-G157 PolarHBondContact O-N 2.93Å; G157-V159 VanDerWaalsContact C-N 3.31Å; G157-V159 PolarHBondContact O-N 3.18Å; G157-C160 PolarHBondContact O-N 3.46Å; G157-R161 WeakPolarHBondContact O-CG 3.21Å; G157-R161 PolarHBondContact O-N 3.29Å; G157-R161 PolarHBondContact O-NH1 3.3Å
158S94.3Very high95.4Very high39 Ų3939.1 Ų39.127%0.27320%0.201SC..Hα-helixtrans-67.6-31176.677.70000113.3K155 L156 R162K155-S158 PolarHBondContact O-N 2.91Å; K155-S158 PolarHBondContact O-OG 3.36Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 3.01Å; S158-R162 WeakPolarHBondContact O-CG 3.42Å; S158-R162 PolarHBondContact O-NE 2.83Å
159V96.6Very high95.5Very high2 Ų238.2 Ų38.21%0.01220%0.197CC..Hα-helixtrans-76.4-44.2175.8177.70000109L74 A132 L135 L156 G157 R161 R162 I163L74-V159 HydrophobicContact CD1-CG1 4.31Å; L74-V159 HydrophobicContact CD2-CB 3.93Å; L74-V159 HydrophobicContact CD2-CG1 3.86Å; L74-V159 HydrophobicContact CG-CG1 4.3Å; A132-V159 HydrophobicContact CB-CG1 3.81Å; L135-V159 HydrophobicContact CD2-CG2 3.57Å; L156-V159 WeakPolarHBondContact O-CB 3.37Å; L156-V159 PolarHBondContact O-N 3.31Å; G157-V159 VanDerWaalsContact C-N 3.31Å; G157-V159 PolarHBondContact O-N 3.18Å; V159-R161 VanDerWaalsContact C-N 3.35Å; V159-R161 PolarHBondContact O-N 3.44Å; V159-R162 PolarHBondContact O-N 2.93Å; V159-I163 HydrophobicContact CG1-CD1 3.7Å; V159-I163 HydrophobicContact CG1-CG1 4.35Å; V159-I163 PolarHBondContact O-N 3.46Å
160C97.8Very high95.7Very high0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-55.4-48.5177.2-64.70000111.7L156 G157 R162 I163 Y164 F191 V195 M201L156-C160 PolarHBondContact O-N 3.2Å; L156-C160 PolarHBondContact O-SG 3.4Å; G157-C160 PolarHBondContact O-N 3.46Å; C160-R162 VanDerWaalsContact C-N 3.27Å; C160-R162 PolarHBondContact O-N 2.97Å; C160-I163 PolarHBondContact O-N 3.03Å; C160-Y164 WeakPolarHBondContact O-CB 3.11Å; C160-Y164 PolarHBondContact O-N 2.87Å; C160-F191 HydrophobicContact CB-CZ 3.87Å; C160-F191 WeakPolarHBondContact O-CZ 3.39Å; C160-V195 HydrophobicContact CB-CG1 3.96Å; C160-M201 VanDerWaalsContact C-SD 3.55Å; C160-M201 HydrophobicContact CB-CG 4.14Å; C160-M201 HydrophobicContact CB-SD 3.93Å
161R95.8Very high95.9Very high106 Ų10626.2 Ų26.240%0.414%0.142SC..Hα-helixtrans-58.1-37.5176.9-72.4-169.9-63.5-85.18.1113.3G157 V159 R165 M201G157-R161 WeakPolarHBondContact O-CG 3.21Å; G157-R161 PolarHBondContact O-N 3.29Å; G157-R161 PolarHBondContact O-NH1 3.3Å; V159-R161 VanDerWaalsContact C-N 3.35Å; V159-R161 PolarHBondContact O-N 3.44Å; R161-R165 WeakPolarHBondContact O-CG 3.4Å; R161-R165 PolarHBondContact O-N 2.94Å; R161-M201 HydrophobicContact CB-SD 4.43Å; R161-M201 HydrophobicContact CG-CE 4.01Å; R161-M201 HydrophobicContact CG-CG 3.75Å; R161-M201 HydrophobicContact CG-SD 3.95Å
162R95.8Very high96Very high54 Ų5426.3 Ų26.320%0.20413%0.131CC..Hα-helixtrans-74.5-40.6179.8-72.6179.5-75.7167.2-3.3111.9T128 S158 V159 C160 Y164 R165T128-R162 HydrophobicContact CG2-CB 3.73Å; S158-R162 WeakPolarHBondContact O-CG 3.42Å; S158-R162 PolarHBondContact O-NE 2.83Å; V159-R162 PolarHBondContact O-N 2.93Å; C160-R162 VanDerWaalsContact C-N 3.27Å; C160-R162 PolarHBondContact O-N 2.97Å; R162-Y164 VanDerWaalsContact C-N 3.33Å; R162-R165 WeakPolarHBondContact O-CB 3.29Å; R162-R165 PolarHBondContact O-N 3.46Å
163I96.9Very high96.1Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-59.9-45172.7-75.5169.4000110.8L74 C78 L81 V159 C160 R165 I166 F167 F191L74-I163 HydrophobicContact CD1-CD1 3.71Å; C78-I163 WeakPolarHBondContact SG-CD1 3.19Å; L81-I163 HydrophobicContact CD2-CB 4.31Å; L81-I163 HydrophobicContact CD2-CG1 4.25Å; L81-I163 HydrophobicContact CD2-CG2 3.63Å; V159-I163 HydrophobicContact CG1-CD1 3.7Å; V159-I163 HydrophobicContact CG1-CG1 4.35Å; V159-I163 PolarHBondContact O-N 3.46Å; C160-I163 PolarHBondContact O-N 3.03Å; I163-R165 PolarHBondContact O-N 3.26Å; I163-I166 WeakPolarHBondContact O-CA 3.5Å; I163-I166 VanDerWaalsContact O-CB 3.29Å; I163-I166 WeakPolarHBondContact O-CB 3.27Å; I163-I166 PolarHBondContact O-N 3.32Å; I163-F167 HydrophobicContact CG2-CD2 4.18Å; I163-F167 HydrophobicContact CG2-CE2 3.7Å; I163-F167 PolarHBondContact O-N 3.47Å; I163-F191 HydrophobicContact CB-CE2 4.24Å; I163-F191 HydrophobicContact CB-CZ 4.14Å; I163-F191 HydrophobicContact CG2-CD2 4.14Å; I163-F191 HydrophobicContact CG2-CE1 4.41Å; I163-F191 HydrophobicContact CG2-CE2 3.54Å; I163-F191 HydrophobicContact CG2-CZ 3.7Å
164Y97.2Very high96.2Very high4 Ų430.7 Ų30.72%0.01615%0.151CC..Hα-helixtrans-61-29.5-178.6-168-100.7000113.7C160 R162 I166 F167 S168 F191 M201 N205 L206 I207 V208C160-Y164 WeakPolarHBondContact O-CB 3.11Å; C160-Y164 PolarHBondContact O-N 2.87Å; R162-Y164 VanDerWaalsContact C-N 3.33Å; Y164-I166 VanDerWaalsContact C-N 3.26Å; Y164-I166 PolarHBondContact O-N 3.4Å; Y164-F167 HydrophobicContact CD2-CD2 4.38Å; Y164-F167 PolarHBondContact O-N 3.05Å; Y164-S168 WeakPolarHBondContact CD1-OG 3.43Å; Y164-S168 WeakPolarHBondContact CE1-OG 3.24Å; Y164-S168 PolarHBondContact O-N 2.91Å; Y164-S168 PolarHBondContact O-OG 2.91Å; Y164-F191 AromaticContact CD2-CD1 3.99Å; Y164-F191 HydrophobicContact CD2-CD1 3.99Å; Y164-F191 AromaticContact CD2-CE1 3.85Å; Y164-F191 HydrophobicContact CD2-CE1 3.85Å; Y164-F191 HydrophobicContact CG-CE1 4.39Å; Y164-M201 HydrophobicContact CD1-CE 3.89Å; Y164-M201 HydrophobicContact CG-CE 3.8Å; Y164-M201 HydrophobicContact CG-SD 4.41Å; Y164-N205 VanDerWaalsContact CE1-O 3.27Å; Y164-N205 WeakPolarHBondContact CE1-O 3.35Å; Y164-L206 HydrophobicContact CD1-CD2 4.26Å; Y164-L206 HydrophobicContact CD2-CD2 3.95Å; Y164-L206 HydrophobicContact CE1-CB 4.5Å; Y164-L206 HydrophobicContact CE1-CD2 3.94Å; Y164-L206 HydrophobicContact CE2-CD2 3.58Å; Y164-L206 HydrophobicContact CG-CD2 4.26Å; Y164-L206 VanDerWaalsContact OH-CA 3.29Å; Y164-L206 WeakPolarHBondContact OH-CA 3.19Å; Y164-I207 HydrophobicContact CE1-CG1 4.3Å; Y164-I207 PolarHBondContact OH-N 3.29Å; Y164-V208 HydrophobicContact CE1-CG2 4.47Å; Y164-V208 WeakPolarHBondContact OH-CB 3.31Å; Y164-V208 PolarHBondContact OH-N 3.21Å
165R96.6Very high96.4Very high69 Ų6931.3 Ų31.326%0.2614%0.136SC..Hα-helixtrans-63.1-34.5173.7-65.8164.8179.5-170.7-5.6111.9M100 F108 Y124 R161 R162 I163 S168 H169M100-R165 HydrophobicContact CE-CB 3.84Å; M100-R165 WeakPolarHBondContact CE-O 3.32Å; F108-R165 HydrophobicContact CD1-CG 3.91Å; F108-R165 VanDerWaalsContact CD1-NE 3.33Å; F108-R165 HydrophobicContact CD2-CB 3.86Å; F108-R165 HydrophobicContact CD2-CG 3.75Å; F108-R165 HydrophobicContact CE1-CG 3.92Å; F108-R165 HydrophobicContact CE2-CB 3.98Å; F108-R165 HydrophobicContact CE2-CG 3.76Å; F108-R165 HydrophobicContact CG-CB 4.3Å; F108-R165 HydrophobicContact CG-CG 3.82Å; F108-R165 HydrophobicContact CZ-CG 3.84Å; Y124-R165 HydrophobicContact CE1-CB 4.39Å; Y124-R165 VanDerWaalsContact OH-CD 3.3Å; Y124-R165 WeakPolarHBondContact OH-CD 3.45Å; Y124-R165 PolarHBondContact OH-NH1 2.88Å; R161-R165 WeakPolarHBondContact O-CG 3.4Å; R161-R165 PolarHBondContact O-N 2.94Å; R162-R165 WeakPolarHBondContact O-CB 3.29Å; R162-R165 PolarHBondContact O-N 3.46Å; I163-R165 PolarHBondContact O-N 3.26Å; R165-S168 PolarHBondContact O-N 3.4Å; R165-H169 WeakPolarHBondContact O-CB 3.33Å; R165-H169 PolarHBondContact O-N 3.18Å
166I97.4Very high96.5Very high0 Ų035.9 Ų35.90%016%0.158CC..Hα-helixtrans-65-46.4175.8-57.8166000109.8L81 M100 T125 T128 L129 I163 Y164 S168 H169 A170L81-I166 HydrophobicContact CD1-CG2 4.1Å; L81-I166 HydrophobicContact CD2-CB 4.32Å; L81-I166 HydrophobicContact CD2-CD1 3.78Å; L81-I166 HydrophobicContact CD2-CG2 4.4Å; L81-I166 HydrophobicContact CG-CG2 4.44Å; M100-I166 HydrophobicContact CE-CG1 4.27Å; T125-I166 HydrophobicContact CG2-CD1 4.06Å; T125-I166 HydrophobicContact CG2-CG1 4.28Å; T125-I166 HydrophobicContact CG2-CG2 3.86Å; T128-I166 HydrophobicContact CG2-CD1 3.79Å; L129-I166 HydrophobicContact CG-CD1 4.31Å; I163-I166 WeakPolarHBondContact O-CA 3.5Å; I163-I166 VanDerWaalsContact O-CB 3.29Å; I163-I166 WeakPolarHBondContact O-CB 3.27Å; I163-I166 PolarHBondContact O-N 3.32Å; Y164-I166 VanDerWaalsContact C-N 3.26Å; Y164-I166 PolarHBondContact O-N 3.4Å; I166-S168 VanDerWaalsContact C-N 3.35Å; I166-S168 PolarHBondContact O-N 3.41Å; I166-H169 PolarHBondContact O-N 3.4Å; I166-A170 WeakPolarHBondContact O-CB 3.46Å; I166-A170 PolarHBondContact O-N 3.34Å
167F97.6Very high96.6Very high1 Ų136.6 Ų36.60%0.00416%0.162CC..Hα-helixtrans-58.8-47.1174-70.7-57.7000112L81 L84 I163 Y164 H169 A170 Y171 F178 L187 C188 F191L81-F167 HydrophobicContact CD1-CD1 4.18Å; L81-F167 HydrophobicContact CD1-CE1 3.63Å; L81-F167 HydrophobicContact CD1-CE2 4.46Å; L81-F167 HydrophobicContact CD1-CZ 3.77Å; L84-F167 HydrophobicContact CD2-CD1 4.15Å; L84-F167 HydrophobicContact CD2-CE1 4.32Å; I163-F167 HydrophobicContact CG2-CD2 4.18Å; I163-F167 HydrophobicContact CG2-CE2 3.7Å; I163-F167 PolarHBondContact O-N 3.47Å; Y164-F167 HydrophobicContact CD2-CD2 4.38Å; Y164-F167 PolarHBondContact O-N 3.05Å; F167-H169 PolarHBondContact O-N 2.77Å; F167-A170 PolarHBondContact O-N 3.39Å; F167-Y171 WeakPolarHBondContact O-CB 3.28Å; F167-Y171 PolarHBondContact O-N 2.92Å; F167-F178 HydrophobicContact CB-CE2 4.49Å; F167-F178 HydrophobicContact CD1-CE2 4.24Å; F167-L187 HydrophobicContact CE1-CD2 3.87Å; F167-L187 HydrophobicContact CE1-CG 3.98Å; F167-L187 HydrophobicContact CZ-CD2 3.84Å; F167-L187 HydrophobicContact CZ-CG 3.76Å; F167-C188 VanDerWaalsContact CB-SG 3.52Å; F167-C188 HydrophobicContact CD1-CB 3.65Å; F167-C188 HydrophobicContact CE1-CB 3.87Å; F167-C188 HydrophobicContact CG-CB 4.07Å; F167-C188 WeakPolarHBondContact CG-SG 3.34Å; F167-C188 HydrophobicContact CZ-CB 4.47Å; F167-F191 HydrophobicContact CD2-CD1 4.19Å; F167-F191 HydrophobicContact CD2-CG 4.38Å; F167-F191 HydrophobicContact CE2-CB 3.91Å; F167-F191 AromaticContact CE2-CD1 3.95Å; F167-F191 HydrophobicContact CE2-CD1 3.95Å; F167-F191 HydrophobicContact CE2-CD2 4.05Å; F167-F191 AromaticContact CE2-CG 3.69Å; F167-F191 HydrophobicContact CE2-CG 3.69Å; F167-F191 HydrophobicContact CZ-CB 4.36Å
168S96.6Very high96.7Very high1 Ų136.6 Ų36.61%0.00716%0.159CC..Hα-helixtrans-61-46.1-180-55.10000111.5Y164 R165 I166 Y171 F172Y164-S168 WeakPolarHBondContact CD1-OG 3.43Å; Y164-S168 WeakPolarHBondContact CE1-OG 3.24Å; Y164-S168 PolarHBondContact O-N 2.91Å; Y164-S168 PolarHBondContact O-OG 2.91Å; R165-S168 PolarHBondContact O-N 3.4Å; I166-S168 VanDerWaalsContact C-N 3.35Å; I166-S168 PolarHBondContact O-N 3.41Å; S168-Y171 PolarHBondContact O-N 3.25Å; S168-F172 WeakPolarHBondContact O-CD2 3.43Å; S168-F172 PolarHBondContact O-N 2.63Å
169H97Very high96.8Very high0 Ų037 Ų370%016%0.159CC..Hα-helixtrans-60.4-47.6176.4178.173.7000111.8M100 T101 A121 R165 I166 F167 Y171 F172 H173 H174M100-H169 HydrophobicContact CE-CB 3.6Å; M100-H169 HydrophobicContact SD-CB 4.14Å; T101-H169 PolarHBondContact O-ND1 3.46Å; A121-H169 WeakPolarHBondContact CB-CE1 3.38Å; A121-H169 VanDerWaalsContact CB-NE2 3.26Å; A121-H169 WeakPolarHBondContact CB-NE2 3.36Å; R165-H169 WeakPolarHBondContact O-CB 3.33Å; R165-H169 PolarHBondContact O-N 3.18Å; I166-H169 PolarHBondContact O-N 3.4Å; F167-H169 PolarHBondContact O-N 2.77Å; H169-Y171 VanDerWaalsContact C-N 3.31Å; H169-Y171 PolarHBondContact O-N 2.92Å; H169-F172 PolarHBondContact O-N 3.37Å; H169-H173 AromaticContact CE1-CD2 3.7Å; H169-H173 AromaticContact CE1-CG 3.98Å; H169-H173 AromaticContact ND1-CD2 3.35Å; H169-H173 PolarHBondContact ND1-CD2 3.37Å; H169-H173 WeakPolarHBondContact O-CB 3.38Å; H169-H173 PolarHBondContact O-N 3.02Å; H169-H174 AromaticContact CD2-CD2 3.99Å; H169-H174 AromaticContact NE2-CD2 3.53Å; H169-H174 AromaticContact NE2-NE2 3.54Å
170A97.4Very high96.9Very high0 Ų042.8 Ų42.80%018%0.184CC..Hα-helixtrans-59.8-42.5177.600000111.7L84 L88 I166 F167 H174 R175 F178L84-A170 HydrophobicContact CD2-CB 4.01Å; L88-A170 HydrophobicContact CD1-CB 4.28Å; L88-A170 HydrophobicContact CD2-CB 4.25Å; I166-A170 WeakPolarHBondContact O-CB 3.46Å; I166-A170 PolarHBondContact O-N 3.34Å; F167-A170 PolarHBondContact O-N 3.39Å; A170-H174 CarbonylContact O-C 3.51Å; A170-H174 WeakPolarHBondContact O-CA 3.45Å; A170-H174 PolarHBondContact O-N 2.86Å; A170-H174 VanDerWaalsContact O-O 3.11Å; A170-R175 PolarHBondContact O-N 3.43Å; A170-F178 HydrophobicContact CB-CB 4.26Å; A170-F178 HydrophobicContact CB-CD2 3.97Å
171Y97.1Very high96.9Very high24 Ų2443.9 Ų43.99%0.09419%0.188CC..Hα-helixtrans-63.4-49.7179.1179.7-91.5000113F167 S168 H169 R175 F178 V208 P209F167-Y171 WeakPolarHBondContact O-CB 3.28Å; F167-Y171 PolarHBondContact O-N 2.92Å; S168-Y171 PolarHBondContact O-N 3.25Å; H169-Y171 VanDerWaalsContact C-N 3.31Å; H169-Y171 PolarHBondContact O-N 2.92Å; Y171-R175 VanDerWaalsContact O-CD 3.29Å; Y171-R175 WeakPolarHBondContact O-CD 3.47Å; Y171-R175 PolarHBondContact OH-NH1 3.25Å; Y171-F178 AromaticContact CD2-CD1 3.74Å; Y171-F178 HydrophobicContact CD2-CD1 3.74Å; Y171-F178 AromaticContact CD2-CE1 3.56Å; Y171-F178 HydrophobicContact CD2-CE1 3.56Å; Y171-F178 HydrophobicContact CD2-CG 4.36Å; Y171-F178 AromaticContact CD2-CZ 4Å; Y171-F178 HydrophobicContact CD2-CZ 4Å; Y171-F178 HydrophobicContact CE2-CE1 4.3Å; Y171-V208 HydrophobicContact CD1-CG1 4.2Å; Y171-V208 HydrophobicContact CD2-CG1 3.44Å; Y171-V208 VanDerWaalsContact CD2-CG1 3.44Å; Y171-V208 HydrophobicContact CE1-CG1 4.41Å; Y171-V208 HydrophobicContact CE2-CG1 3.63Å; Y171-V208 HydrophobicContact CG-CG1 3.72Å; Y171-V208 HydrophobicContact CG-CG2 4.34Å; Y171-P209 WeakPolarHBondContact OH-CD 3.39Å; Y171-P209 WeakPolarHBondContact OH-CG 3.45Å
172F95.8Very high96.9Very high86 Ų8639.8 Ų39.838%0.37717%0.174SC..Hα-helixtrans-83.3-28.4-173.4-72-70.4000114.1A102 S168 H169 I207A102-F172 HydrophobicContact CB-CD2 4.04Å; A102-F172 WeakPolarHBondContact O-CB 3.45Å; A102-F172 VanDerWaalsContact O-CD2 3.29Å; A102-F172 WeakPolarHBondContact O-CD2 3.33Å; A102-F172 WeakPolarHBondContact O-CG 3.33Å; S168-F172 WeakPolarHBondContact O-CD2 3.43Å; S168-F172 PolarHBondContact O-N 2.63Å; H169-F172 PolarHBondContact O-N 3.37Å; F172-I207 HydrophobicContact CD2-CD1 4.44Å; F172-I207 HydrophobicContact CE2-CD1 3.79Å; F172-I207 HydrophobicContact CE2-CG1 4.02Å
173H95.6Very high96.9Very high90 Ų9043 Ų4342%0.41720%0.195SC..Hα-helixtrans-110.6-23.4-176-63.9-70000114T101 H169T101-H173 PolarHBondContact O-CD2 3.27Å; T101-H173 PolarHBondContact O-NE2 2.89Å; T101-H173 PolarHBondContact OG1-NE2 3.06Å; H169-H173 AromaticContact CE1-CD2 3.7Å; H169-H173 AromaticContact CE1-CG 3.98Å; H169-H173 AromaticContact ND1-CD2 3.35Å; H169-H173 PolarHBondContact ND1-CD2 3.37Å; H169-H173 WeakPolarHBondContact O-CB 3.38Å; H169-H173 PolarHBondContact O-N 3.02Å
174H96.4Very high96.9Very high16 Ų1647.7 Ų47.77%0.07422%0.217CC..  trans-131.448.1-176.8-62.3-76.1000111.7L88 C92 C97 H169 A170 Q176 I177 F178L88-H174 HydrophobicContact CD2-CB 3.64Å; C92-H174 WeakPolarHBondContact CB-NE2 3.23Å; C97-H174 PolarHBondContact SG-NE2 3.35Å; C97-H174 VanDerWaalsContact SG-NE2 3.41Å; H169-H174 AromaticContact CD2-CD2 3.99Å; H169-H174 AromaticContact NE2-CD2 3.53Å; H169-H174 AromaticContact NE2-NE2 3.54Å; A170-H174 CarbonylContact O-C 3.51Å; A170-H174 WeakPolarHBondContact O-CA 3.45Å; A170-H174 PolarHBondContact O-N 2.86Å; A170-H174 VanDerWaalsContact O-O 3.11Å; H174-Q176 VanDerWaalsContact C-N 3.31Å; H174-Q176 PolarHBondContact O-N 2.77Å; H174-Q176 VanDerWaalsContact O-N 3.16Å; H174-I177 HydrophobicContact CB-CB 4.39Å; H174-I177 PolarHBondContact O-N 3.34Å; H174-F178 PolarHBondContact O-N 3.37Å
175R96.3Very high96.9Very high93 Ų9348.5 Ų48.535%0.35122%0.222SC..Hα-helixtrans-52.5-43.4-167.4-175.364-164.3-133.618.3114A170 Y171 I177 F178 D179A170-R175 PolarHBondContact O-N 3.43Å; Y171-R175 VanDerWaalsContact O-CD 3.29Å; Y171-R175 WeakPolarHBondContact O-CD 3.47Å; Y171-R175 PolarHBondContact OH-NH1 3.25Å; R175-I177 PolarHBondContact O-N 3.19Å; R175-F178 WeakPolarHBondContact O-CB 3.33Å; R175-F178 PolarHBondContact O-N 3.03Å; R175-D179 WeakPolarHBondContact CG-OD2 3.4Å; R175-D179 IonicContact CZ-OD1 3.89Å; R175-D179 VanDerWaalsContact CZ-OD1 3.23Å; R175-D179 IonicContact CZ-OD2 3.23Å; R175-D179 IonicContact NE-OD1 2.98Å; R175-D179 PolarHBondContact NE-OD1 3.15Å; R175-D179 IonicContact NE-OD2 2.82Å; R175-D179 PolarHBondContact NE-OD2 3.27Å; R175-D179 IonicContact NH2-OD1 2.84Å; R175-D179 PolarHBondContact NH2-OD1 2.87Å; R175-D179 IonicContact NH2-OD2 2.66Å; R175-D179 PolarHBondContact O-N 3.06Å
176Q97.1Very high96.9Very high160 Ų16048.1 Ų48.175%0.74822%0.222SC*.Hα-helixtrans-63.9-41-179.8-64.3-177.73.500112.7H174 K180H174-Q176 VanDerWaalsContact C-N 3.31Å; H174-Q176 PolarHBondContact O-N 2.77Å; H174-Q176 VanDerWaalsContact O-N 3.16Å; Q176-K180 WeakPolarHBondContact O-CB 3.26Å; Q176-K180 PolarHBondContact O-N 3.22Å; Q176-K180 VanDerWaalsContact O-N 3.12Å
177I97.6Very high96.9Very high16 Ų1648.1 Ų48.18%0.08222%0.222CC..Hα-helixtrans-65.7-44.3175.5-68.6176.3000109.8L84 K87 L88 E91 H174 R175 Y181L84-I177 HydrophobicContact CD1-CG2 3.83Å; K87-I177 HydrophobicContact CB-CG2 3.73Å; K87-I177 HydrophobicContact CD-CG2 4.47Å; L88-I177 HydrophobicContact CD2-CD1 4.44Å; L88-I177 HydrophobicContact CD2-CG2 4.16Å; L88-I177 HydrophobicContact CG-CG2 4.45Å; E91-I177 HydrophobicContact CB-CD1 4.03Å; E91-I177 VanDerWaalsContact CD-CD1 3.48Å; E91-I177 HydrophobicContact CG-CD1 3.97Å; E91-I177 WeakPolarHBondContact OE2-CD1 3.49Å; H174-I177 HydrophobicContact CB-CB 4.39Å; H174-I177 PolarHBondContact O-N 3.34Å; R175-I177 PolarHBondContact O-N 3.19Å; I177-Y181 WeakPolarHBondContact O-CB 3.29Å; I177-Y181 PolarHBondContact O-N 3.08Å; I177-Y181 VanDerWaalsContact O-N 3.08Å
178F97.6Very high96.9Very high7 Ų748.1 Ų48.13%0.03122%0.222CC..Hα-helixtrans-59.1-56.6178178.1-86.5000111.1F167 A170 Y171 H174 R175 K180 Y181 E182 C188 V208 I210F167-F178 HydrophobicContact CB-CE2 4.49Å; F167-F178 HydrophobicContact CD1-CE2 4.24Å; A170-F178 HydrophobicContact CB-CB 4.26Å; A170-F178 HydrophobicContact CB-CD2 3.97Å; Y171-F178 AromaticContact CD2-CD1 3.74Å; Y171-F178 HydrophobicContact CD2-CD1 3.74Å; Y171-F178 AromaticContact CD2-CE1 3.56Å; Y171-F178 HydrophobicContact CD2-CE1 3.56Å; Y171-F178 HydrophobicContact CD2-CG 4.36Å; Y171-F178 AromaticContact CD2-CZ 4Å; Y171-F178 HydrophobicContact CD2-CZ 4Å; Y171-F178 HydrophobicContact CE2-CE1 4.3Å; H174-F178 PolarHBondContact O-N 3.37Å; R175-F178 WeakPolarHBondContact O-CB 3.33Å; R175-F178 PolarHBondContact O-N 3.03Å; F178-K180 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.28Å; F178-Y181 PolarHBondContact O-N 2.78Å; F178-Y181 VanDerWaalsContact O-N 3.09Å; F178-E182 HydrophobicContact CD1-CB 4.41Å; F178-E182 HydrophobicContact CE1-CB 4.01Å; F178-E182 HydrophobicContact CE1-CG 4.18Å; F178-E182 HydrophobicContact CZ-CB 4.35Å; F178-E182 HydrophobicContact CZ-CG 4.32Å; F178-E182 WeakPolarHBondContact O-CB 3.33Å; F178-E182 PolarHBondContact O-N 2.72Å; F178-C188 HydrophobicContact CE2-CB 3.85Å; F178-C188 HydrophobicContact CZ-CB 3.73Å; F178-V208 HydrophobicContact CZ-CG1 4.41Å; F178-I210 HydrophobicContact CZ-CD1 4.2Å
179D96.9Very high96.9Very high49 Ų4949.3 Ų49.326%0.26223%0.228SC..Hα-helixtrans-60-43.4-176.4-70.5-25.8000111.5R175 Y181 E182 N183R175-D179 WeakPolarHBondContact CG-OD2 3.4Å; R175-D179 IonicContact CZ-OD1 3.89Å; R175-D179 VanDerWaalsContact CZ-OD1 3.23Å; R175-D179 IonicContact CZ-OD2 3.23Å; R175-D179 IonicContact NE-OD1 2.98Å; R175-D179 PolarHBondContact NE-OD1 3.15Å; R175-D179 IonicContact NE-OD2 2.82Å; R175-D179 PolarHBondContact NE-OD2 3.27Å; R175-D179 IonicContact NH2-OD1 2.84Å; R175-D179 PolarHBondContact NH2-OD1 2.87Å; R175-D179 IonicContact NH2-OD2 2.66Å; R175-D179 PolarHBondContact O-N 3.06Å; D179-Y181 VanDerWaalsContact C-N 3.31Å; D179-Y181 PolarHBondContact O-N 3.4Å; D179-E182 PolarHBondContact O-N 3.05Å; D179-N183 VanDerWaalsContact O-CB 3.25Å; D179-N183 WeakPolarHBondContact O-CB 3.5Å; D179-N183 PolarHBondContact O-N 2.56Å; D179-N183 PolarHBondContact O-ND2 3.11Å
180K97.8Very high97Very high123 Ų12349.3 Ų49.354%0.53523%0.228SC..Hα-helixtrans-59.3-44.8177-178.5174.6-178.8175.60111.4Q176 F178 E184Q176-K180 WeakPolarHBondContact O-CB 3.26Å; Q176-K180 PolarHBondContact O-N 3.22Å; Q176-K180 VanDerWaalsContact O-N 3.12Å; F178-K180 VanDerWaalsContact C-N 3.33Å; F178-K180 PolarHBondContact O-N 3.28Å; K180-E184 VanDerWaalsContact CE-OE1 3.24Å; K180-E184 WeakPolarHBondContact CE-OE1 3.39Å; K180-E184 WeakPolarHBondContact CG-OE1 3.41Å; K180-E184 VanDerWaalsContact O-CG 3.22Å; K180-E184 WeakPolarHBondContact O-CG 3.44Å; K180-E184 PolarHBondContact O-N 2.91Å
181Y97.6Very high97Very high22 Ų2249.3 Ų49.39%0.08623%0.228CC..Hα-helixtrans-72.5-38-179.3-166.3-119.5000112.7E80 L84 K87 I177 F178 D179 E184 T185 L187E80-Y181 PolarHBondContact O-OH 2.84Å; L84-Y181 HydrophobicContact CB-CD1 3.66Å; L84-Y181 HydrophobicContact CB-CE1 3.64Å; L84-Y181 HydrophobicContact CB-CG 4.42Å; L84-Y181 HydrophobicContact CD1-CD1 3.92Å; L84-Y181 HydrophobicContact CD1-CG 4.14Å; L84-Y181 HydrophobicContact CD2-CD1 4.44Å; L84-Y181 HydrophobicContact CG-CD1 4.2Å; K87-Y181 HydrophobicContact CD-CD2 4.07Å; K87-Y181 HydrophobicContact CD-CG 4.47Å; I177-Y181 WeakPolarHBondContact O-CB 3.29Å; I177-Y181 PolarHBondContact O-N 3.08Å; I177-Y181 VanDerWaalsContact O-N 3.08Å; F178-Y181 PolarHBondContact O-N 2.78Å; F178-Y181 VanDerWaalsContact O-N 3.09Å; D179-Y181 VanDerWaalsContact C-N 3.31Å; D179-Y181 PolarHBondContact O-N 3.4Å; Y181-E184 PolarHBondContact O-N 3.34Å; Y181-T185 HydrophobicContact CD2-CG2 4.02Å; Y181-T185 HydrophobicContact CE1-CG2 4.39Å; Y181-T185 HydrophobicContact CE2-CG2 3.71Å; Y181-T185 WeakPolarHBondContact O-CB 3.47Å; Y181-T185 PolarHBondContact O-N 3.45Å; Y181-T185 PolarHBondContact O-OG1 3.09Å; Y181-L187 HydrophobicContact CE1-CB 4.49Å; Y181-L187 HydrophobicContact CE1-CD2 3.7Å
182E97.1Very high97Very high21 Ų2148.3 Ų48.310%0.09822%0.224CC..Hα-helixtrans-65.9-44.8178.4-17160.3-163.300111F178 D179 E184 T185 F186 L187 C188 H189F178-E182 HydrophobicContact CD1-CB 4.41Å; F178-E182 HydrophobicContact CE1-CB 4.01Å; F178-E182 HydrophobicContact CE1-CG 4.18Å; F178-E182 HydrophobicContact CZ-CB 4.35Å; F178-E182 HydrophobicContact CZ-CG 4.32Å; F178-E182 WeakPolarHBondContact O-CB 3.33Å; F178-E182 PolarHBondContact O-N 2.72Å; D179-E182 PolarHBondContact O-N 3.05Å; E182-E184 PolarHBondContact O-N 3.41Å; E182-T185 PolarHBondContact O-N 3.38Å; E182-T185 VanDerWaalsContact O-N 3.15Å; E182-F186 WeakPolarHBondContact O-CA 3.08Å; E182-F186 PolarHBondContact O-N 2.94Å; E182-F186 WeakPolarHBondContact OE1-CA 3.45Å; E182-L187 PolarHBondContact OE1-N 2.88Å; E182-L187 PolarHBondContact OE2-N 2.87Å; E182-C188 PolarHBondContact OE1-N 3.47Å; E182-C188 WeakPolarHBondContact OE2-CB 3.29Å; E182-C188 PolarHBondContact OE2-N 3.32Å; E182-H189 VanDerWaalsContact OE1-CB 3.24Å; E182-H189 WeakPolarHBondContact OE1-CB 3.33Å; E182-H189 PolarHBondContact OE1-N 3.29Å
183N96.1Very high97Very high122 Ų12247.6 Ų47.665%0.65222%0.219SC*.Hα-helixtrans-63-26.4175.6-69.2-27.5000113D179D179-N183 VanDerWaalsContact O-CB 3.25Å; D179-N183 WeakPolarHBondContact O-CB 3.5Å; D179-N183 PolarHBondContact O-N 2.56Å; D179-N183 PolarHBondContact O-ND2 3.11Å
184E95.9Very high97.1Very high98 Ų9843.4 Ų43.446%0.45820%0.199SC..Hα-helixtrans-82.9-28.1176.8-74.2169-172.600112.5K87 K180 Y181 E182K87-E184 IonicContact NZ-OE2 3.75Å; K87-E184 PolarHBondContact NZ-OE2 3.24Å; K180-E184 VanDerWaalsContact CE-OE1 3.24Å; K180-E184 WeakPolarHBondContact CE-OE1 3.39Å; K180-E184 WeakPolarHBondContact CG-OE1 3.41Å; K180-E184 VanDerWaalsContact O-CG 3.22Å; K180-E184 WeakPolarHBondContact O-CG 3.44Å; K180-E184 PolarHBondContact O-N 2.91Å; Y181-E184 PolarHBondContact O-N 3.34Å; E182-E184 PolarHBondContact O-N 3.41Å
185T96.9Very high97.2Very high20 Ų2042.6 Ų42.612%0.12320%0.196CC..Hα-helixtrans-132.6-18.2-162.8650000116.4Y181 E182 L187 R190Y181-T185 HydrophobicContact CD2-CG2 4.02Å; Y181-T185 HydrophobicContact CE1-CG2 4.39Å; Y181-T185 HydrophobicContact CE2-CG2 3.71Å; Y181-T185 WeakPolarHBondContact O-CB 3.47Å; Y181-T185 PolarHBondContact O-N 3.45Å; Y181-T185 PolarHBondContact O-OG1 3.09Å; E182-T185 PolarHBondContact O-N 3.38Å; E182-T185 VanDerWaalsContact O-N 3.15Å; T185-L187 PolarHBondContact O-N 2.83Å; T185-L187 VanDerWaalsContact O-N 3.14Å; T185-L187 WeakPolarHBondContact OG1-CB 3.32Å; T185-L187 PolarHBondContact OG1-N 3.32Å; T185-R190 PolarHBondContact O-NH1 3.35Å; T185-R190 VanDerWaalsContact O-NH1 3.16Å
186F97.3Very high97.1Very high62 Ų6241 Ų4127%0.27219%0.193SC..  trans50.930-172-63.2-97.2000113I54 E182 R190I54-F186 HydrophobicContact CD1-CB 4.23Å; I54-F186 HydrophobicContact CG1-CB 4.46Å; E182-F186 WeakPolarHBondContact O-CA 3.08Å; E182-F186 PolarHBondContact O-N 2.94Å; E182-F186 WeakPolarHBondContact OE1-CA 3.45Å; F186-R190 WeakPolarHBondContact O-CB 3.35Å; F186-R190 PolarHBondContact O-N 2.8Å
187L97.8Very high97.1Very high0 Ų038 Ų380%018%0.177CC..Hα-helixtrans-68.9-47.3-166.6-178.866.3000111.9F77 E80 L81 F167 Y181 E182 T185 F191F77-L187 HydrophobicContact CD1-CD1 3.68Å; F77-L187 HydrophobicContact CE1-CD1 4.3Å; E80-L187 HydrophobicContact CB-CD1 3.61Å; E80-L187 HydrophobicContact CB-CD2 3.83Å; E80-L187 HydrophobicContact CB-CG 4.36Å; E80-L187 HydrophobicContact CG-CD1 4.38Å; L81-L187 HydrophobicContact CB-CD2 4.35Å; L81-L187 HydrophobicContact CD1-CD2 4.41Å; F167-L187 HydrophobicContact CE1-CD2 3.87Å; F167-L187 HydrophobicContact CE1-CG 3.98Å; F167-L187 HydrophobicContact CZ-CD2 3.84Å; F167-L187 HydrophobicContact CZ-CG 3.76Å; Y181-L187 HydrophobicContact CE1-CB 4.49Å; Y181-L187 HydrophobicContact CE1-CD2 3.7Å; E182-L187 PolarHBondContact OE1-N 2.88Å; E182-L187 PolarHBondContact OE2-N 2.87Å; T185-L187 PolarHBondContact O-N 2.83Å; T185-L187 VanDerWaalsContact O-N 3.14Å; T185-L187 WeakPolarHBondContact OG1-CB 3.32Å; T185-L187 PolarHBondContact OG1-N 3.32Å; L187-F191 WeakPolarHBondContact O-CB 3.34Å; L187-F191 PolarHBondContact O-N 2.99Å
188C97.6Very high97Very high0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-69.8-38.3-179.6-165.80000110.9F167 F178 E182 F191 T192 I210F167-C188 VanDerWaalsContact CB-SG 3.52Å; F167-C188 HydrophobicContact CD1-CB 3.65Å; F167-C188 HydrophobicContact CE1-CB 3.87Å; F167-C188 HydrophobicContact CG-CB 4.07Å; F167-C188 WeakPolarHBondContact CG-SG 3.34Å; F167-C188 HydrophobicContact CZ-CB 4.47Å; F178-C188 HydrophobicContact CE2-CB 3.85Å; F178-C188 HydrophobicContact CZ-CB 3.73Å; E182-C188 PolarHBondContact OE1-N 3.47Å; E182-C188 WeakPolarHBondContact OE2-CB 3.29Å; E182-C188 PolarHBondContact OE2-N 3.32Å; C188-F191 PolarHBondContact O-N 3.48Å; C188-T192 VanDerWaalsContact O-CB 3.32Å; C188-T192 WeakPolarHBondContact O-CB 3.45Å; C188-T192 PolarHBondContact O-N 2.86Å; C188-T192 PolarHBondContact O-OG1 3.3Å; C188-I210 HydrophobicContact CB-CD1 3.49Å; C188-I210 VanDerWaalsContact CB-CD1 3.49Å; C188-I210 WeakPolarHBondContact SG-CD1 3.26Å
189H96.9Very high96.9Very high26 Ų2644.7 Ų44.712%0.1221%0.212CC..Hα-helixtrans-61.6-51.6174.4-170.9-170.7000111.5I54 E182 F191 T192 R193 I210 E214I54-H189 HydrophobicContact CD1-CB 3.75Å; I54-H189 WeakPolarHBondContact CD1-ND1 3.3Å; E182-H189 VanDerWaalsContact OE1-CB 3.24Å; E182-H189 WeakPolarHBondContact OE1-CB 3.33Å; E182-H189 PolarHBondContact OE1-N 3.29Å; H189-F191 VanDerWaalsContact C-N 3.31Å; H189-F191 PolarHBondContact O-N 2.85Å; H189-T192 PolarHBondContact O-N 3.43Å; H189-T192 VanDerWaalsContact O-N 3.17Å; H189-R193 PolarHBondContact O-N 3.01Å; H189-I210 HydrophobicContact CB-CG2 3.59Å; H189-I210 VanDerWaalsContact CD2-CG2 3.43Å; H189-I210 WeakPolarHBondContact CD2-CG2 3.47Å; H189-E214 IonicContact CD2-OE2 2.76Å; H189-E214 IonicContact CE1-OE1 3.71Å; H189-E214 IonicContact CE1-OE2 3.52Å; H189-E214 IonicContact NE2-OE1 3.76Å; H189-E214 IonicContact NE2-OE2 3.02Å; H189-E214 PolarHBondContact NE2-OE2 3.18Å
190R97.6Very high96.8Very high1 Ų143.3 Ų43.30%0.00421%0.205CC..Hα-helixtrans-59.2-42.7175.8-174.317264.3-117.11.4111.7I54 L58 F77 E80 T185 F186 F194I54-R190 HydrophobicContact CD1-CB 4.37Å; I54-R190 HydrophobicContact CG1-CB 4.16Å; I54-R190 HydrophobicContact CG2-CB 4.25Å; I54-R190 HydrophobicContact CG2-CG 4.16Å; L58-R190 HydrophobicContact CD1-CG 4.36Å; L58-R190 HydrophobicContact CD2-CG 3.89Å; L58-R190 HydrophobicContact CG-CG 4.16Å; F77-R190 HydrophobicContact CE1-CB 4.12Å; F77-R190 HydrophobicContact CE1-CG 3.81Å; F77-R190 HydrophobicContact CZ-CG 3.93Å; E80-R190 IonicContact OE1-CZ 2.77Å; E80-R190 IonicContact OE1-NH2 2.92Å; E80-R190 PolarHBondContact OE1-NH2 2.74Å; E80-R190 IonicContact OE2-CZ 3.23Å; E80-R190 IonicContact OE2-NH2 2.88Å; E80-R190 PolarHBondContact OE2-NH2 3.44Å; T185-R190 PolarHBondContact O-NH1 3.35Å; T185-R190 VanDerWaalsContact O-NH1 3.16Å; F186-R190 WeakPolarHBondContact O-CB 3.35Å; F186-R190 PolarHBondContact O-N 2.8Å; R190-F194 VanDerWaalsContact O-CB 3.26Å; R190-F194 WeakPolarHBondContact O-CB 3.32Å; R190-F194 PolarHBondContact O-N 3.35Å
191F98.3Very high96.7Very high0 Ų038.1 Ų38.10%018%0.182CC..Hα-helixtrans-62.2-44.3176.6-177.1-86.8000111.8L74 F77 C160 I163 Y164 F167 L187 C188 H189 F194 V195 M201L74-F191 HydrophobicContact CD1-CE2 4.32Å; F77-F191 HydrophobicContact CB-CD2 4Å; F77-F191 HydrophobicContact CB-CE2 4.45Å; F77-F191 HydrophobicContact CD1-CB 4.04Å; F77-F191 AromaticContact CD1-CD2 3.92Å; F77-F191 HydrophobicContact CD1-CD2 3.92Å; F77-F191 AromaticContact CD2-CD2 3.73Å; F77-F191 HydrophobicContact CD2-CD2 3.73Å; F77-F191 HydrophobicContact CD2-CE2 4.29Å; F77-F191 HydrophobicContact CE1-CB 3.85Å; F77-F191 HydrophobicContact CE1-CD2 4.32Å; F77-F191 HydrophobicContact CE2-CD2 4.16Å; F77-F191 AromaticContact CG-CD2 3.64Å; F77-F191 HydrophobicContact CG-CD2 3.64Å; F77-F191 HydrophobicContact CG-CE2 4.39Å; F77-F191 HydrophobicContact CZ-CB 4.25Å; F77-F191 HydrophobicContact CZ-CD2 4.44Å; C160-F191 HydrophobicContact CB-CZ 3.87Å; C160-F191 WeakPolarHBondContact O-CZ 3.39Å; I163-F191 HydrophobicContact CB-CE2 4.24Å; I163-F191 HydrophobicContact CB-CZ 4.14Å; I163-F191 HydrophobicContact CG2-CD2 4.14Å; I163-F191 HydrophobicContact CG2-CE1 4.41Å; I163-F191 HydrophobicContact CG2-CE2 3.54Å; I163-F191 HydrophobicContact CG2-CZ 3.7Å; Y164-F191 AromaticContact CD2-CD1 3.99Å; Y164-F191 HydrophobicContact CD2-CD1 3.99Å; Y164-F191 AromaticContact CD2-CE1 3.85Å; Y164-F191 HydrophobicContact CD2-CE1 3.85Å; Y164-F191 HydrophobicContact CG-CE1 4.39Å; F167-F191 HydrophobicContact CD2-CD1 4.19Å; F167-F191 HydrophobicContact CD2-CG 4.38Å; F167-F191 HydrophobicContact CE2-CB 3.91Å; F167-F191 AromaticContact CE2-CD1 3.95Å; F167-F191 HydrophobicContact CE2-CD1 3.95Å; F167-F191 HydrophobicContact CE2-CD2 4.05Å; F167-F191 AromaticContact CE2-CG 3.69Å; F167-F191 HydrophobicContact CE2-CG 3.69Å; F167-F191 HydrophobicContact CZ-CB 4.36Å; L187-F191 WeakPolarHBondContact O-CB 3.34Å; L187-F191 PolarHBondContact O-N 2.99Å; C188-F191 PolarHBondContact O-N 3.48Å; H189-F191 VanDerWaalsContact C-N 3.31Å; H189-F191 PolarHBondContact O-N 2.85Å; F191-F194 WeakPolarHBondContact O-CB 3.4Å; F191-F194 PolarHBondContact O-N 3.26Å; F191-V195 HydrophobicContact CD1-CG1 4.08Å; F191-V195 HydrophobicContact CE1-CG1 3.55Å; F191-V195 HydrophobicContact CE1-CG2 4.4Å; F191-V195 HydrophobicContact CE2-CG1 4.28Å; F191-V195 HydrophobicContact CZ-CG1 3.68Å; F191-V195 WeakPolarHBondContact O-CG2 3.49Å; F191-V195 PolarHBondContact O-N 3.14Å; F191-M201 HydrophobicContact CE1-SD 4.37Å
192T96.9Very high96.4Very high2 Ų239.8 Ų39.81%0.01220%0.197CC..Hα-helixtrans-65.5-45-178.7-57.50000111.1C188 H189 F194 V195 M196 L206 L211C188-T192 VanDerWaalsContact O-CB 3.32Å; C188-T192 WeakPolarHBondContact O-CB 3.45Å; C188-T192 PolarHBondContact O-N 2.86Å; C188-T192 PolarHBondContact O-OG1 3.3Å; H189-T192 PolarHBondContact O-N 3.43Å; H189-T192 VanDerWaalsContact O-N 3.17Å; T192-F194 VanDerWaalsContact C-N 3.34Å; T192-F194 PolarHBondContact O-N 3.14Å; T192-V195 WeakPolarHBondContact O-CG2 3.23Å; T192-V195 PolarHBondContact O-N 2.87Å; T192-M196 WeakPolarHBondContact O-CB 3.48Å; T192-M196 WeakPolarHBondContact O-CG 3.15Å; T192-M196 PolarHBondContact O-N 3.45Å; T192-L206 HydrophobicContact CG2-CD1 4.03Å; T192-L206 HydrophobicContact CG2-CD2 4.47Å; T192-L211 HydrophobicContact CG2-CD1 3.84Å; T192-L211 HydrophobicContact CG2-CD2 4.29Å; T192-L211 HydrophobicContact CG2-CG 3.8Å
193R96.3Very high96Very high72 Ų7245.3 Ų45.327%0.27222%0.221SC..Hα-helixtrans-61.6-41.3172.8-72.5-163.868.6156.2-4.8111.8I54 D55 L58 H189 M196 K197 L211 E214I54-R193 HydrophobicContact CG2-CB 4.2Å; I54-R193 HydrophobicContact CG2-CG 4.44Å; D55-R193 IonicContact OD1-CZ 2.83Å; D55-R193 IonicContact OD1-NE 3.84Å; D55-R193 IonicContact OD1-NH1 3.87Å; D55-R193 PolarHBondContact OD1-NH1 2.82Å; D55-R193 IonicContact OD1-NH2 3.08Å; D55-R193 PolarHBondContact OD1-NH2 3.06Å; D55-R193 IonicContact OD2-CZ 3.94Å; D55-R193 IonicContact OD2-NH1 2.64Å; D55-R193 IonicContact OD2-NH2 3.93Å; L58-R193 HydrophobicContact CD1-CB 3.81Å; H189-R193 PolarHBondContact O-N 3.01Å; R193-M196 PolarHBondContact O-N 3Å; R193-K197 VanDerWaalsContact O-CB 3.3Å; R193-K197 WeakPolarHBondContact O-CB 3.45Å; R193-K197 PolarHBondContact O-N 3.01Å; R193-L211 HydrophobicContact CG-CD2 3.68Å; R193-E214 IonicContact CZ-OE1 3.22Å; R193-E214 IonicContact NH1-OE1 3.76Å; R193-E214 PolarHBondContact NH1-OE1 2.85Å; R193-E214 IonicContact NH1-OE2 3.7Å
194F97.9Very high95.5Very high1 Ų146.4 Ų46.40%0.00423%0.227CC..Hα-helixtrans-61.4-50.1177.5171.3-97.3000112.9L58 K70 H73 F77 R190 F191 T192 M196 K197 Y198 L200L58-F194 HydrophobicContact CD1-CB 4.12Å; L58-F194 HydrophobicContact CD2-CB 4.02Å; L58-F194 HydrophobicContact CD2-CD2 4.13Å; K70-F194 HydrophobicContact CB-CZ 4.12Å; K70-F194 HydrophobicContact CG-CE2 4.45Å; K70-F194 HydrophobicContact CG-CZ 4.25Å; H73-F194 HydrophobicContact CB-CD2 4.02Å; H73-F194 HydrophobicContact CB-CE2 3.49Å; H73-F194 VanDerWaalsContact CB-CE2 3.49Å; H73-F194 HydrophobicContact CB-CZ 3.81Å; H73-F194 AromaticContact CG-CE2 3.93Å; F77-F194 HydrophobicContact CD2-CD1 4.28Å; F77-F194 HydrophobicContact CE2-CB 3.85Å; F77-F194 AromaticContact CE2-CD1 3.53Å; F77-F194 HydrophobicContact CE2-CD1 3.53Å; F77-F194 HydrophobicContact CE2-CD2 4.11Å; F77-F194 HydrophobicContact CE2-CE1 4.05Å; F77-F194 AromaticContact CE2-CG 3.56Å; F77-F194 HydrophobicContact CE2-CG 3.56Å; F77-F194 HydrophobicContact CZ-CB 3.81Å; F77-F194 HydrophobicContact CZ-CD1 4.34Å; F77-F194 HydrophobicContact CZ-CG 4.04Å; R190-F194 VanDerWaalsContact O-CB 3.26Å; R190-F194 WeakPolarHBondContact O-CB 3.32Å; R190-F194 PolarHBondContact O-N 3.35Å; F191-F194 WeakPolarHBondContact O-CB 3.4Å; F191-F194 PolarHBondContact O-N 3.26Å; T192-F194 VanDerWaalsContact C-N 3.34Å; T192-F194 PolarHBondContact O-N 3.14Å; F194-M196 VanDerWaalsContact C-N 3.26Å; F194-M196 PolarHBondContact O-N 3.41Å; F194-K197 PolarHBondContact O-N 3.43Å; F194-Y198 AromaticContact CD2-CD2 3.51Å; F194-Y198 HydrophobicContact CD2-CD2 3.51Å; F194-Y198 AromaticContact CD2-CE2 3.59Å; F194-Y198 HydrophobicContact CD2-CE2 3.59Å; F194-Y198 AromaticContact CE2-CD2 3.45Å; F194-Y198 HydrophobicContact CE2-CD2 3.45Å; F194-Y198 VanDerWaalsContact CE2-CD2 3.45Å; F194-Y198 AromaticContact CE2-CE2 3.6Å; F194-Y198 HydrophobicContact CE2-CE2 3.6Å; F194-Y198 HydrophobicContact CG-CD2 4.21Å; F194-Y198 HydrophobicContact CZ-CD2 4.14Å; F194-Y198 WeakPolarHBondContact O-CD2 3.4Å; F194-Y198 PolarHBondContact O-N 3.38Å; F194-Y198 VanDerWaalsContact O-N 3.16Å; F194-L200 HydrophobicContact CD1-CD1 4.09Å; F194-L200 HydrophobicContact CE1-CD1 3.35Å; F194-L200 HydrophobicContact CZ-CD1 3.8Å
195V97.4Very high95.1Very high0 Ų045.7 Ų45.70%023%0.226CC..Hα-helixtrans-67.6-28.5-178.4-620000112.7C160 F191 T192 N199 L200 M201 L206C160-V195 HydrophobicContact CB-CG1 3.96Å; F191-V195 HydrophobicContact CD1-CG1 4.08Å; F191-V195 HydrophobicContact CE1-CG1 3.55Å; F191-V195 HydrophobicContact CE1-CG2 4.4Å; F191-V195 HydrophobicContact CE2-CG1 4.28Å; F191-V195 HydrophobicContact CZ-CG1 3.68Å; F191-V195 WeakPolarHBondContact O-CG2 3.49Å; F191-V195 PolarHBondContact O-N 3.14Å; T192-V195 WeakPolarHBondContact O-CG2 3.23Å; T192-V195 PolarHBondContact O-N 2.87Å; V195-N199 CarbonylContact O-C 3.58Å; V195-N199 WeakPolarHBondContact O-CA 3.3Å; V195-N199 PolarHBondContact O-N 3.38Å; V195-N199 VanDerWaalsContact O-N 3.13Å; V195-L200 HydrophobicContact CB-CB 4.2Å; V195-L200 HydrophobicContact CG1-CB 4.32Å; V195-L200 PolarHBondContact O-N 2.99Å; V195-M201 HydrophobicContact CB-CB 4.25Å; V195-M201 HydrophobicContact CB-CG 4.26Å; V195-M201 HydrophobicContact CB-SD 4.45Å; V195-M201 HydrophobicContact CG1-CG 4.44Å; V195-M201 HydrophobicContact CG1-SD 4.25Å; V195-M201 HydrophobicContact CG2-CB 4.3Å; V195-M201 HydrophobicContact CG2-SD 4.39Å; V195-L206 HydrophobicContact CG2-CD1 4.45Å; V195-L206 HydrophobicContact CG2-CD2 4.05Å
196M95.4Very high94.9Very high58 Ų5846.1 Ų46.129%0.28623%0.227SC..Hα-helixtrans-74.1-49.1173.1-72.2-65.1-70.600112T192 R193 F194 Y198 N199 K203 L206 L211T192-M196 WeakPolarHBondContact O-CB 3.48Å; T192-M196 WeakPolarHBondContact O-CG 3.15Å; T192-M196 PolarHBondContact O-N 3.45Å; R193-M196 PolarHBondContact O-N 3Å; F194-M196 VanDerWaalsContact C-N 3.26Å; F194-M196 PolarHBondContact O-N 3.41Å; M196-Y198 PolarHBondContact O-N 3.27Å; M196-Y198 VanDerWaalsContact O-N 3.13Å; M196-N199 PolarHBondContact O-N 3.12Å; M196-K203 HydrophobicContact CE-CB 4.18Å; M196-K203 HydrophobicContact CE-CD 4.38Å; M196-K203 HydrophobicContact CE-CG 4.24Å; M196-K203 HydrophobicContact SD-CB 4.33Å; M196-L206 HydrophobicContact CG-CD1 3.59Å; M196-L206 HydrophobicContact SD-CD1 3.38Å; M196-L206 WeakPolarHBondContact SD-CD1 3.17Å; M196-L211 HydrophobicContact CG-CD1 4.1Å
197K95.4Very high94.6Very high98 Ų9846.3 Ų46.343%0.42623%0.231SC..Hα-helixtrans-52.6-37.4177.8-176.4173-176.5173.20111.5L58 E59 R193 F194L58-K197 PolarHBondContact O-NZ 3Å; E59-K197 IonicContact OE2-NZ 3.55Å; E59-K197 PolarHBondContact OE2-NZ 3.34Å; R193-K197 VanDerWaalsContact O-CB 3.3Å; R193-K197 WeakPolarHBondContact O-CB 3.45Å; R193-K197 PolarHBondContact O-N 3.01Å; F194-K197 PolarHBondContact O-N 3.43Å
198Y96.3Very high94.3Very high24 Ų2446.6 Ų46.69%0.09423%0.232CC..THydrogen-bonded Turntrans-107.410.5-175.1-67.4-60.4000115.2E66 W69 K70 F194 M196 L200E66-Y198 HydrophobicContact CG-CD1 4.28Å; E66-Y198 HydrophobicContact CG-CE1 4.01Å; W69-Y198 AromaticContact CD1-CZ 3.67Å; W69-Y198 AromaticContact NE1-CZ 3.97Å; W69-Y198 PolarHBondContact NE1-OH 3.3Å; W69-Y198 VanDerWaalsContact NE1-OH 3.12Å; K70-Y198 HydrophobicContact CD-CD1 4.37Å; K70-Y198 HydrophobicContact CD-CG 4.37Å; K70-Y198 HydrophobicContact CG-CD1 4.22Å; K70-Y198 HydrophobicContact CG-CD2 4.27Å; K70-Y198 HydrophobicContact CG-CG 4.05Å; F194-Y198 AromaticContact CD2-CD2 3.51Å; F194-Y198 HydrophobicContact CD2-CD2 3.51Å; F194-Y198 AromaticContact CD2-CE2 3.59Å; F194-Y198 HydrophobicContact CD2-CE2 3.59Å; F194-Y198 AromaticContact CE2-CD2 3.45Å; F194-Y198 HydrophobicContact CE2-CD2 3.45Å; F194-Y198 VanDerWaalsContact CE2-CD2 3.45Å; F194-Y198 AromaticContact CE2-CE2 3.6Å; F194-Y198 HydrophobicContact CE2-CE2 3.6Å; F194-Y198 HydrophobicContact CG-CD2 4.21Å; F194-Y198 HydrophobicContact CZ-CD2 4.14Å; F194-Y198 WeakPolarHBondContact O-CD2 3.4Å; F194-Y198 PolarHBondContact O-N 3.38Å; F194-Y198 VanDerWaalsContact O-N 3.16Å; M196-Y198 PolarHBondContact O-N 3.27Å; M196-Y198 VanDerWaalsContact O-N 3.13Å; Y198-L200 PolarHBondContact O-N 3.22Å; Y198-L200 VanDerWaalsContact O-N 3.12Å
199N95.1Very high93.8Very high140 Ų14048.3 Ų48.375%0.74924%0.244SC*.THydrogen-bonded Turntrans49.736.8-179.8-66.8-41.3000114.1V195 M196 M201V195-N199 CarbonylContact O-C 3.58Å; V195-N199 WeakPolarHBondContact O-CA 3.3Å; V195-N199 PolarHBondContact O-N 3.38Å; V195-N199 VanDerWaalsContact O-N 3.13Å; M196-N199 PolarHBondContact O-N 3.12Å; N199-M201 VanDerWaalsContact C-N 3.31Å
200L95.7Very high93Very high20 Ų2047.7 Ų47.711%0.10524%0.241CC..SBendtrans-79.7-18.7-179.5-64.3174.4000112.3F194 V195 Y198F194-L200 HydrophobicContact CD1-CD1 4.09Å; F194-L200 HydrophobicContact CE1-CD1 3.35Å; F194-L200 HydrophobicContact CZ-CD1 3.8Å; V195-L200 HydrophobicContact CB-CB 4.2Å; V195-L200 HydrophobicContact CG1-CB 4.32Å; V195-L200 PolarHBondContact O-N 2.99Å; Y198-L200 PolarHBondContact O-N 3.22Å; Y198-L200 VanDerWaalsContact O-N 3.12Å
201M94.2Very high92Very high13 Ų1350 Ų506%0.06425%0.253CS..SBendtrans-143.1148.3177-66.7-176.249.500110C160 R161 Y164 F191 V195 N199 N205 L206C160-M201 VanDerWaalsContact C-SD 3.55Å; C160-M201 HydrophobicContact CB-CG 4.14Å; C160-M201 HydrophobicContact CB-SD 3.93Å; R161-M201 HydrophobicContact CB-SD 4.43Å; R161-M201 HydrophobicContact CG-CE 4.01Å; R161-M201 HydrophobicContact CG-CG 3.75Å; R161-M201 HydrophobicContact CG-SD 3.95Å; Y164-M201 HydrophobicContact CD1-CE 3.89Å; Y164-M201 HydrophobicContact CG-CE 3.8Å; Y164-M201 HydrophobicContact CG-SD 4.41Å; F191-M201 HydrophobicContact CE1-SD 4.37Å; V195-M201 HydrophobicContact CB-CB 4.25Å; V195-M201 HydrophobicContact CB-CG 4.26Å; V195-M201 HydrophobicContact CB-SD 4.45Å; V195-M201 HydrophobicContact CG1-CG 4.44Å; V195-M201 HydrophobicContact CG1-SD 4.25Å; V195-M201 HydrophobicContact CG2-CB 4.3Å; V195-M201 HydrophobicContact CG2-SD 4.39Å; N199-M201 VanDerWaalsContact C-N 3.31Å; M201-N205 HydrophobicContact CE-CB 4Å; M201-L206 HydrophobicContact CE-CD2 3.8Å
202S91.4Very high90.8Very high57 Ų5755.5 Ų55.540%0.39928%0.279SS..  trans-77.9149.8171.266.70000110.9D204 N205S202-D204 PolarHBondContact O-N 3.37Å; S202-N205 WeakPolarHBondContact O-CB 3.34Å; S202-N205 PolarHBondContact O-N 3.22Å; S202-N205 PolarHBondContact OG-ND2 3.06Å
203K88.7Confident89.3Confident137 Ų13759 Ų5960%0.59630%0.295SS*.G310 helixtrans-55.8-37.2178.9-168.8177.6177.9-177.90112.6M196 N205 L206M196-K203 HydrophobicContact CE-CB 4.18Å; M196-K203 HydrophobicContact CE-CD 4.38Å; M196-K203 HydrophobicContact CE-CG 4.24Å; M196-K203 HydrophobicContact SD-CB 4.33Å; K203-N205 PolarHBondContact O-N 3.46Å; K203-N205 VanDerWaalsContact O-N 3.13Å; K203-L206 WeakPolarHBondContact O-CB 3.3Å; K203-L206 PolarHBondContact O-N 2.83Å
204D86.8Confident88.1Confident146 Ų14658.5 Ų58.578%0.78130%0.296SS*.G310 helixtrans-64-19.7179.7-52-28.9000113.8S202 L206S202-D204 PolarHBondContact O-N 3.37Å; D204-L206 VanDerWaalsContact C-N 3.33Å
205N87.6Confident86.5Confident83 Ų8363.2 Ų63.244%0.44433%0.325SS..G310 helixtrans-85.4-8.3174.6-70.7-58.7000112.8Y164 M201 S202 K203 I207Y164-N205 VanDerWaalsContact CE1-O 3.27Å; Y164-N205 WeakPolarHBondContact CE1-O 3.35Å; M201-N205 HydrophobicContact CE-CB 4Å; S202-N205 WeakPolarHBondContact O-CB 3.34Å; S202-N205 PolarHBondContact O-N 3.22Å; S202-N205 PolarHBondContact OG-ND2 3.06Å; K203-N205 PolarHBondContact O-N 3.46Å; K203-N205 VanDerWaalsContact O-N 3.13Å; N205-I207 PolarHBondContact O-N 3.02Å
206L91.6Very high84.8Confident28 Ų2869.1 Ų69.115%0.14735%0.352CS..  trans-95.690-177.7-57.5174.9000109.7Y164 T192 V195 M196 M201 K203 D204Y164-L206 HydrophobicContact CD1-CD2 4.26Å; Y164-L206 HydrophobicContact CD2-CD2 3.95Å; Y164-L206 HydrophobicContact CE1-CB 4.5Å; Y164-L206 HydrophobicContact CE1-CD2 3.94Å; Y164-L206 HydrophobicContact CE2-CD2 3.58Å; Y164-L206 HydrophobicContact CG-CD2 4.26Å; Y164-L206 VanDerWaalsContact OH-CA 3.29Å; Y164-L206 WeakPolarHBondContact OH-CA 3.19Å; T192-L206 HydrophobicContact CG2-CD1 4.03Å; T192-L206 HydrophobicContact CG2-CD2 4.47Å; V195-L206 HydrophobicContact CG2-CD1 4.45Å; V195-L206 HydrophobicContact CG2-CD2 4.05Å; M196-L206 HydrophobicContact CG-CD1 3.59Å; M196-L206 HydrophobicContact SD-CD1 3.38Å; M196-L206 WeakPolarHBondContact SD-CD1 3.17Å; M201-L206 HydrophobicContact CE-CD2 3.8Å; K203-L206 WeakPolarHBondContact O-CB 3.3Å; K203-L206 PolarHBondContact O-N 2.83Å; D204-L206 VanDerWaalsContact C-N 3.33Å
207I91.9Very high83.3Confident67 Ų6772 Ų7234%0.34437%0.369SS..  trans-92.7-11.3-175.159.5170.4000114.1A102 T103 Y164 F172 N205A102-I207 HydrophobicContact CB-CD1 3.68Å; T103-I207 HydrophobicContact CG2-CD1 4.32Å; Y164-I207 HydrophobicContact CE1-CG1 4.3Å; Y164-I207 PolarHBondContact OH-N 3.29Å; F172-I207 HydrophobicContact CD2-CD1 4.44Å; F172-I207 HydrophobicContact CE2-CD1 3.79Å; F172-I207 HydrophobicContact CE2-CG1 4.02Å; N205-I207 PolarHBondContact O-N 3.02Å
208V90.6Very high81.8Confident5 Ų570.2 Ų70.23%0.0337%0.372CS..SBendtrans-85119.8174.4-170.40000108Y164 Y171 F178 I210Y164-V208 HydrophobicContact CE1-CG2 4.47Å; Y164-V208 WeakPolarHBondContact OH-CB 3.31Å; Y164-V208 PolarHBondContact OH-N 3.21Å; Y171-V208 HydrophobicContact CD1-CG1 4.2Å; Y171-V208 HydrophobicContact CD2-CG1 3.44Å; Y171-V208 VanDerWaalsContact CD2-CG1 3.44Å; Y171-V208 HydrophobicContact CE1-CG1 4.41Å; Y171-V208 HydrophobicContact CE2-CG1 3.63Å; Y171-V208 HydrophobicContact CG-CG1 3.72Å; Y171-V208 HydrophobicContact CG-CG2 4.34Å; F178-V208 HydrophobicContact CZ-CG1 4.41Å; V208-I210 HydrophobicContact CB-CG1 4.32Å; V208-I210 HydrophobicContact CG1-CD1 4Å; V208-I210 HydrophobicContact CG1-CG1 3.6Å; V208-I210 PolarHBondContact O-N 2.91Å
209P87.3Confident80Confident37 Ų3771.9 Ų71.924%0.2439%0.387CS..  trans-77.535.9-167.633.8-38.3000114.5Y171 L211 E212 E213Y171-P209 WeakPolarHBondContact OH-CD 3.39Å; Y171-P209 WeakPolarHBondContact OH-CG 3.45Å; P209-L211 PolarHBondContact O-N 2.92Å; P209-E212 HydrophobicContact CB-CB 4.49Å; P209-E212 PolarHBondContact O-N 3.49Å; P209-E213 WeakPolarHBondContact O-CG 3.37Å; P209-E213 PolarHBondContact O-N 3.41Å; P209-E213 VanDerWaalsContact O-N 3.11Å
210I81.3Confident78.1Confident13 Ų1367.9 Ų67.97%0.06737%0.374CS..Hα-helixtrans-64.4-42.1-173.4-55.7-168.2000112.6F178 C188 H189 V208 E212 E213 E214F178-I210 HydrophobicContact CZ-CD1 4.2Å; C188-I210 HydrophobicContact CB-CD1 3.49Å; C188-I210 VanDerWaalsContact CB-CD1 3.49Å; C188-I210 WeakPolarHBondContact SG-CD1 3.26Å; H189-I210 HydrophobicContact CB-CG2 3.59Å; H189-I210 VanDerWaalsContact CD2-CG2 3.43Å; H189-I210 WeakPolarHBondContact CD2-CG2 3.47Å; V208-I210 HydrophobicContact CB-CG1 4.32Å; V208-I210 HydrophobicContact CG1-CD1 4Å; V208-I210 HydrophobicContact CG1-CG1 3.6Å; V208-I210 PolarHBondContact O-N 2.91Å; I210-E212 VanDerWaalsContact C-N 3.26Å; I210-E212 PolarHBondContact O-N 2.86Å; I210-E213 PolarHBondContact O-N 2.83Å; I210-E214 PolarHBondContact O-N 3.11Å; I210-E214 VanDerWaalsContact O-N 3.16Å
211L74.9Confident76Confident48 Ų4869.1 Ų69.125%0.25139%0.392SS..Hα-helixtrans-71.5-24.8-179.2-61.9179.3000112.2T192 R193 M196 P209 V215T192-L211 HydrophobicContact CG2-CD1 3.84Å; T192-L211 HydrophobicContact CG2-CD2 4.29Å; T192-L211 HydrophobicContact CG2-CG 3.8Å; R193-L211 HydrophobicContact CG-CD2 3.68Å; M196-L211 HydrophobicContact CG-CD1 4.1Å; P209-L211 PolarHBondContact O-N 2.92Å; L211-V215 WeakPolarHBondContact O-CG2 3.23Å; L211-V215 PolarHBondContact O-N 3.21Å
212E73.1Confident73.9Confident117 Ų11776 Ų7655%0.54742%0.424SS..Hα-helixtrans-76.3-39.2177.1-63.5178.7177.200110.5P209 I210 E214 V215 Q216P209-E212 HydrophobicContact CB-CB 4.49Å; P209-E212 PolarHBondContact O-N 3.49Å; I210-E212 VanDerWaalsContact C-N 3.26Å; I210-E212 PolarHBondContact O-N 2.86Å; E212-E214 VanDerWaalsContact C-N 3.31Å; E212-E214 PolarHBondContact O-N 3.34Å; E212-V215 PolarHBondContact O-N 2.85Å; E212-Q216 WeakPolarHBondContact O-CB 3.35Å; E212-Q216 VanDerWaalsContact O-CG 3.28Å; E212-Q216 WeakPolarHBondContact O-CG 3.29Å; E212-Q216 PolarHBondContact O-N 3.14Å
213E66.9Low71.9Confident74 Ų7478.2 Ų78.235%0.34644%0.439SS..Hα-helixtrans-60.6-38.7172.1-69.5173.9-174.400111.7P209 I210 Q216 N217P209-E213 WeakPolarHBondContact O-CG 3.37Å; P209-E213 PolarHBondContact O-N 3.41Å; P209-E213 VanDerWaalsContact O-N 3.11Å; I210-E213 PolarHBondContact O-N 2.83Å; E213-Q216 PolarHBondContact O-N 2.87Å; E213-N217 WeakPolarHBondContact O-CB 3.29Å; E213-N217 PolarHBondContact O-N 3.14Å; E213-N217 PolarHBondContact O-ND2 3.19Å
214E69.4Low69.7Low62 Ų6280.6 Ų80.629%0.2945%0.452SS..Hα-helixtrans-63.3-45175.8-170.3176.3-164.300112.3H189 R193 I210 E212 N217 A218H189-E214 IonicContact CD2-OE2 2.76Å; H189-E214 IonicContact CE1-OE1 3.71Å; H189-E214 IonicContact CE1-OE2 3.52Å; H189-E214 IonicContact NE2-OE1 3.76Å; H189-E214 IonicContact NE2-OE2 3.02Å; H189-E214 PolarHBondContact NE2-OE2 3.18Å; R193-E214 IonicContact CZ-OE1 3.22Å; R193-E214 IonicContact NH1-OE1 3.76Å; R193-E214 PolarHBondContact NH1-OE1 2.85Å; R193-E214 IonicContact NH1-OE2 3.7Å; I210-E214 PolarHBondContact O-N 3.11Å; I210-E214 VanDerWaalsContact O-N 3.16Å; E212-E214 VanDerWaalsContact C-N 3.31Å; E212-E214 PolarHBondContact O-N 3.34Å; E214-N217 PolarHBondContact O-N 3.48Å; E214-A218 WeakPolarHBondContact O-CB 3.34Å; E214-A218 PolarHBondContact O-N 2.89Å
215V65.2Low67.5Low101 Ų10180.7 Ų80.761%0.61247%0.473SS*.Hα-helixtrans-67.7-38.7178.5174.50000111.6L211 E212 S219L211-V215 WeakPolarHBondContact O-CG2 3.23Å; L211-V215 PolarHBondContact O-N 3.21Å; E212-V215 PolarHBondContact O-N 2.85Å; V215-S219 WeakPolarHBondContact O-CB 3.34Å; V215-S219 PolarHBondContact O-N 3.17Å; V215-S219 VanDerWaalsContact O-N 3.07Å; V215-S219 PolarHBondContact O-OG 2.98Å
216Q61.3Low66.5Low124 Ų12480.6 Ų80.658%0.57948%0.475SS*.Hα-helixtrans-65.9-41.9175.1-71.8173.315.900111.9E212 E213 S219 A220E212-Q216 WeakPolarHBondContact O-CB 3.35Å; E212-Q216 VanDerWaalsContact O-CG 3.28Å; E212-Q216 WeakPolarHBondContact O-CG 3.29Å; E212-Q216 PolarHBondContact O-N 3.14Å; E213-Q216 PolarHBondContact O-N 2.87Å; Q216-S219 WeakPolarHBondContact CA-OG 3.44Å; Q216-S219 PolarHBondContact O-N 2.96Å; Q216-S219 PolarHBondContact O-OG 2.91Å; Q216-A220 WeakPolarHBondContact O-CB 3.37Å; Q216-A220 PolarHBondContact O-N 3.2Å
217N64.5Low65.2Low118 Ų11883.3 Ų83.363%0.63149%0.492SS*.Hα-helixtrans-68.3-37.5177.2-71.1-20.4000112.6E213 E214 G221E213-N217 WeakPolarHBondContact O-CB 3.29Å; E213-N217 PolarHBondContact O-N 3.14Å; E213-N217 PolarHBondContact O-ND2 3.19Å; E214-N217 PolarHBondContact O-N 3.48Å; N217-G221 PolarHBondContact O-N 3.16Å; N217-G221 VanDerWaalsContact O-N 3.11Å
218A64.4Low63.7Low61 Ų6184.2 Ų84.250%0.50450%0.5SS..Hα-helixtrans-63.9-44.3174.700000112E214 G221 E222E214-A218 WeakPolarHBondContact O-CB 3.34Å; E214-A218 PolarHBondContact O-N 2.89Å; A218-G221 PolarHBondContact O-N 2.81Å; A218-E222 PolarHBondContact O-N 3.26Å
219S57.3Low62.1Low58 Ų5888.9 Ų88.941%0.40653%0.528SS..Hα-helixtrans-71.4-31178.851.90000114.1V215 Q216 S223V215-S219 WeakPolarHBondContact O-CB 3.34Å; V215-S219 PolarHBondContact O-N 3.17Å; V215-S219 VanDerWaalsContact O-N 3.07Å; V215-S219 PolarHBondContact O-OG 2.98Å; Q216-S219 WeakPolarHBondContact CA-OG 3.44Å; Q216-S219 PolarHBondContact O-N 2.96Å; Q216-S219 PolarHBondContact O-OG 2.91Å; S219-S223 PolarHBondContact O-N 3.47Å; S219-S223 PolarHBondContact O-OG 3.35Å
220A54.9Low60.5Low56 Ų5692.1 Ų92.146%0.46355%0.546SS..Hα-helixtrans-68.3-39.6171.900000111.8Q216 E222 S223Q216-A220 WeakPolarHBondContact O-CB 3.37Å; Q216-A220 PolarHBondContact O-N 3.2Å; A220-E222 PolarHBondContact O-N 2.7Å; A220-S223 PolarHBondContact O-N 3.25Å
221G52.3Low59.2Low47 Ų4797.4 Ų97.449%0.48558%0.578SS.*Hα-helixtrans-68.1-29.3177.200000114.5N217 A218 S223N217-G221 PolarHBondContact O-N 3.16Å; N217-G221 VanDerWaalsContact O-N 3.11Å; A218-G221 PolarHBondContact O-N 2.81Å; G221-S223 VanDerWaalsContact C-N 3.33Å
222E49.9Very low58Low158 Ų158100.9 Ų100.974%0.73860%0.601SS**Hα-helixtrans-76.5-18.9173.3-73.6-179.8166.100113.3A218 A220A218-E222 PolarHBondContact O-N 3.26Å; A220-E222 PolarHBondContact O-N 2.7Å
223S49Very low56.9Low103 Ų10399.7 Ų99.772%0.7261%0.605SS**SBendtrans-86.9-10-178.9-58.30000113.7S219 A220 G221S219-S223 PolarHBondContact O-N 3.47Å; S219-S223 PolarHBondContact O-OG 3.35Å; A220-S223 PolarHBondContact O-N 3.25Å; G221-S223 VanDerWaalsContact C-N 3.33Å
224E44.1Very low56Low186 Ų186101.8 Ų101.887%0.86963%0.627SS**  trans-107.67.4178.2-66.3-166.3147.600113.6
225A40.3Very low54.8Low148 Ų148105.5 Ų105.5100%1.22366%0.657SS**  trans-105.20179.200000113.6

Retrieved 225 of 225 residues in 178.6 ms (Link to these results)

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