A0A077ZJ72_TRITR Loading...

Glutathione transport system permease protein GsiC

Part of the ABC transporter complex GsiABCD involved in glutathione import. Probably responsible for the translocation of the substrate across the membrane.

AlphaFold DB , UniProt , Accession A0A077ZJ72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low71.6Confident238 Ų23891.1 Ų91.1100%1.17250%0.495SS*.  0117.20-66.3177.9172.300106
2L50.4Low72.4Confident167 Ų16785.3 Ų85.387%0.87447%0.473SS*.PPolyproline II helixtrans-55.6127.1171.9-70162.2000106.2G4L2-G4 PolarHBondContact O-N 3.21Å; L2-G4 VanDerWaalsContact O-N 3.15Å
3P52.4Low72.9Confident105 Ų10589.8 Ų89.868%0.68251%0.508SS*.PPolyproline II helixtrans-56129.3-179.925.9-31.1000106.4L9P3-L9 HydrophobicContact CB-CD1 4.34Å
4G67.8Low73.7Confident43 Ų4396.7 Ų96.744%0.44353%0.534SS..PPolyproline II helixtrans-52.7162.2-160.200000114.2L2 L9L2-G4 PolarHBondContact O-N 3.21Å; L2-G4 VanDerWaalsContact O-N 3.15Å; G4-L9 VanDerWaalsContact O-CD1 3.24Å; G4-L9 WeakPolarHBondContact O-CD1 3.37Å; G4-L9 WeakPolarHBondContact O-CG 3.49Å
5D78.7Confident74.3Confident46 Ų4691.9 Ų91.925%0.24651%0.511CS..  trans-13.1114170.317912.6000114.4A7 R8 L9 R24D5-A7 PolarHBondContact O-N 2.94Å; D5-A7 VanDerWaalsContact O-N 3.07Å; D5-A7 PolarHBondContact OD1-N 2.94Å; D5-R8 HydrophobicContact CB-CB 4.42Å; D5-R8 HydrophobicContact CB-CG 4.13Å; D5-R8 WeakPolarHBondContact O-CA 3.5Å; D5-R8 WeakPolarHBondContact O-CB 3.33Å; D5-R8 PolarHBondContact O-N 3.11Å; D5-L9 PolarHBondContact O-N 3.09Å; D5-R24 IonicContact OD1-NH2 3.65Å; D5-R24 IonicContact OD2-CZ 2.64Å; D5-R24 IonicContact OD2-NH2 3.77Å; D5-R24 PolarHBondContact OD2-NH2 3.04Å
6P81.1Confident75.2Confident46 Ų4693.8 Ų93.830%0.29952%0.52SS..Hα-helixtrans-56.6-29.8-174.321.1-32.6000112.9R8 L9 I10 L29 M53P6-R8 VanDerWaalsContact C-N 3.29Å; P6-R8 PolarHBondContact O-N 3.45Å; P6-L9 PolarHBondContact O-N 3.47Å; P6-I10 WeakPolarHBondContact O-CB 3.23Å; P6-I10 WeakPolarHBondContact O-CG1 3.21Å; P6-I10 PolarHBondContact O-N 2.87Å; P6-L29 HydrophobicContact CG-CD1 3.69Å; P6-L29 HydrophobicContact CG-CD2 4.38Å; P6-M53 HydrophobicContact CB-CE 4.39Å; P6-M53 HydrophobicContact CB-SD 3.65Å
7A82.9Confident76Confident0 Ų093 Ų930%053%0.529CS..Hα-helixtrans-61-38.2173.900000112.1D5 A11 I20 V23 R24 L29D5-A7 PolarHBondContact O-N 2.94Å; D5-A7 VanDerWaalsContact O-N 3.07Å; D5-A7 PolarHBondContact OD1-N 2.94Å; A7-A11 WeakPolarHBondContact O-CB 3.36Å; A7-A11 PolarHBondContact O-N 3.4Å; A7-I20 HydrophobicContact CB-CG2 4.02Å; A7-V23 HydrophobicContact CB-CB 4.34Å; A7-V23 HydrophobicContact CB-CG1 4.04Å; A7-R24 HydrophobicContact CB-CB 4.05Å; A7-L29 HydrophobicContact CB-CD1 4.29Å
8R82.4Confident76.8Confident155 Ų15597.2 Ų97.259%0.58554%0.544SS*.Hα-helixtrans-71.3-39174.6-66.5-174.3177.9-177-1.9112.6D5 P6 I10 G12 I20D5-R8 HydrophobicContact CB-CB 4.42Å; D5-R8 HydrophobicContact CB-CG 4.13Å; D5-R8 WeakPolarHBondContact O-CA 3.5Å; D5-R8 WeakPolarHBondContact O-CB 3.33Å; D5-R8 PolarHBondContact O-N 3.11Å; P6-R8 VanDerWaalsContact C-N 3.29Å; P6-R8 PolarHBondContact O-N 3.45Å; R8-I10 VanDerWaalsContact C-N 3.27Å; R8-I10 PolarHBondContact O-N 3.08Å; R8-G12 CarbonylContact O-C 3.25Å; R8-G12 PolarHBondContact O-N 3.37Å; R8-I20 HydrophobicContact CG-CD1 3.84Å; R8-I20 HydrophobicContact CG-CG1 4.09Å; R8-I20 HydrophobicContact CG-CG2 3.75Å
9L82.3Confident77.4Confident93 Ų9395.6 Ų95.649%0.48754%0.536SS..Hα-helixtrans-63-38.6177.5-67.2176.8000111.4P3 G4 D5 P6 M53P3-L9 HydrophobicContact CB-CD1 4.34Å; G4-L9 VanDerWaalsContact O-CD1 3.24Å; G4-L9 WeakPolarHBondContact O-CD1 3.37Å; G4-L9 WeakPolarHBondContact O-CG 3.49Å; D5-L9 PolarHBondContact O-N 3.09Å; P6-L9 PolarHBondContact O-N 3.47Å; L9-M53 HydrophobicContact CD1-SD 4.37Å
10I81.6Confident77.9Confident78 Ų7891.9 Ų91.940%0.452%0.515SS..Hα-helixtrans-77.7-44.3178.8-70165.1000111.5P6 R8 G12 V23 L27 M53P6-I10 WeakPolarHBondContact O-CB 3.23Å; P6-I10 WeakPolarHBondContact O-CG1 3.21Å; P6-I10 PolarHBondContact O-N 2.87Å; R8-I10 VanDerWaalsContact C-N 3.27Å; R8-I10 PolarHBondContact O-N 3.08Å; I10-G12 PolarHBondContact O-N 3.04Å; I10-V23 HydrophobicContact CB-CG1 4.13Å; I10-V23 HydrophobicContact CG2-CG1 3.94Å; I10-L27 HydrophobicContact CD1-CD1 3.6Å; I10-L27 HydrophobicContact CD1-CD2 4.08Å; I10-L27 HydrophobicContact CD1-CG 4.45Å; I10-M53 HydrophobicContact CD1-CG 4.08Å; I10-M53 HydrophobicContact CD1-SD 4.39Å; I10-M53 HydrophobicContact CG1-CG 4.16Å
11A84Confident78.4Confident31 Ų3191 Ų9126%0.25651%0.507SS..Hα-helixtrans-65.9-27.6179.200000112.5A7 A15 V19 I20 V23A7-A11 WeakPolarHBondContact O-CB 3.36Å; A7-A11 PolarHBondContact O-N 3.4Å; A11-A15 HydrophobicContact CB-CB 3.43Å; A11-A15 VanDerWaalsContact CB-CB 3.43Å; A11-V19 HydrophobicContact CB-CG1 4.21Å; A11-I20 HydrophobicContact CB-CG1 4.12Å; A11-V23 HydrophobicContact CB-CG2 4.17Å
12G81.3Confident80.6Confident22 Ų2284.1 Ų84.123%0.22747%0.474CS..  trans97.9161.8-177.500000112.4R8 I10 E14 A15R8-G12 CarbonylContact O-C 3.25Å; R8-G12 PolarHBondContact O-N 3.37Å; I10-G12 PolarHBondContact O-N 3.04Å; G12-E14 PolarHBondContact O-N 3.21Å; G12-A15 WeakPolarHBondContact O-CB 3.43Å; G12-A15 PolarHBondContact O-N 3.47Å
13P79.8Confident82.3Confident143 Ų14377 Ų7793%0.92944%0.437SS*.THydrogen-bonded Turntrans-66.6-23.5-172.626.1-34.1000114.1
14E83Confident84Confident187 Ų18775.3 Ų75.387%0.87442%0.417SS*.THydrogen-bonded Turntrans-99.56-178.6-62.3-177.6179.400113.2G12 D16G12-E14 PolarHBondContact O-N 3.21Å; E14-D16 PolarHBondContact O-N 2.85Å
15A83.1Confident85Confident24 Ų2478.2 Ų78.220%0.19842%0.42CS..  trans-70133.4-177.400000112.4A11 G12 V19 I20A11-A15 HydrophobicContact CB-CB 3.43Å; A11-A15 VanDerWaalsContact CB-CB 3.43Å; G12-A15 WeakPolarHBondContact O-CB 3.43Å; G12-A15 PolarHBondContact O-N 3.47Å; A15-V19 HydrophobicContact CB-CB 4.3Å; A15-V19 HydrophobicContact CB-CG1 4.23Å; A15-I20 HydrophobicContact CB-CG1 4.09Å; A15-I20 WeakPolarHBondContact O-CD1 3.38Å
16D89.8Confident85.4Confident122 Ų12282.9 Ų82.965%0.65244%0.44SS*.  trans-61.3153.7173.4-76.1-35.3000111.8E14 Q18 V19 I20E14-D16 PolarHBondContact O-N 2.85Å; D16-Q18 PolarHBondContact O-N 3.44Å; D16-Q18 VanDerWaalsContact O-N 3.11Å; D16-V19 HydrophobicContact CB-CG2 4.36Å; D16-V19 WeakPolarHBondContact O-CB 3.37Å; D16-V19 PolarHBondContact O-N 3Å; D16-I20 PolarHBondContact O-N 3.46Å
17A88.3Confident85.6Confident81 Ų8184.5 Ų84.567%0.66945%0.445SS*.Hα-helixtrans-54.8-33.917900000113.1I20 E21A17-I20 PolarHBondContact O-N 3.38Å; A17-E21 PolarHBondContact O-N 3.43Å
18Q89.8Confident85.9Confident169 Ų16985 Ų8579%0.7945%0.451SS*.Hα-helixtrans-67-38.8176.3-65.3-1796.800112.3D16 E21 L22D16-Q18 PolarHBondContact O-N 3.44Å; D16-Q18 VanDerWaalsContact O-N 3.11Å; Q18-E21 PolarHBondContact O-N 3.5Å; Q18-L22 WeakPolarHBondContact O-CB 3.4Å; Q18-L22 PolarHBondContact O-N 2.91Å
19V87.6Confident86.1Confident66 Ų6680 Ų8040%0.444%0.435SS..Hα-helixtrans-68.3-42.4176.8179.90000110A11 A15 D16 E21 L22 V23A11-V19 HydrophobicContact CB-CG1 4.21Å; A15-V19 HydrophobicContact CB-CB 4.3Å; A15-V19 HydrophobicContact CB-CG1 4.23Å; D16-V19 HydrophobicContact CB-CG2 4.36Å; D16-V19 WeakPolarHBondContact O-CB 3.37Å; D16-V19 PolarHBondContact O-N 3Å; V19-E21 VanDerWaalsContact C-N 3.34Å; V19-E21 PolarHBondContact O-N 3.38Å; V19-L22 PolarHBondContact O-N 3.48Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.33Å; V19-V23 PolarHBondContact O-N 3.39Å
20I87.6Confident86.5Confident21 Ų2179.8 Ų79.811%0.10844%0.435CS..Hα-helixtrans-60.8-43.7176.7-63.8160.7000110.8A7 R8 A11 A15 D16 A17 V23 R24A7-I20 HydrophobicContact CB-CG2 4.02Å; R8-I20 HydrophobicContact CG-CD1 3.84Å; R8-I20 HydrophobicContact CG-CG1 4.09Å; R8-I20 HydrophobicContact CG-CG2 3.75Å; A11-I20 HydrophobicContact CB-CG1 4.12Å; A15-I20 HydrophobicContact CB-CG1 4.09Å; A15-I20 WeakPolarHBondContact O-CD1 3.38Å; D16-I20 PolarHBondContact O-N 3.46Å; A17-I20 PolarHBondContact O-N 3.38Å; I20-V23 PolarHBondContact O-N 3.3Å; I20-R24 WeakPolarHBondContact O-CB 3.19Å; I20-R24 PolarHBondContact O-N 2.71Å
21E89Confident86.9Confident74 Ų7480.1 Ų80.135%0.34644%0.435SS..Hα-helixtrans-66.9-39.3178.5-168.357.8-143.700112.1A17 Q18 V19 V23 R24 Q25A17-E21 PolarHBondContact O-N 3.43Å; Q18-E21 PolarHBondContact O-N 3.5Å; V19-E21 VanDerWaalsContact C-N 3.34Å; V19-E21 PolarHBondContact O-N 3.38Å; E21-V23 PolarHBondContact O-N 2.95Å; E21-R24 WeakPolarHBondContact O-CB 3.37Å; E21-R24 PolarHBondContact O-N 3.48Å; E21-R24 IonicContact OE2-CZ 2.62Å; E21-R24 IonicContact OE2-NH1 3.87Å; E21-R24 PolarHBondContact OE2-NH1 3.22Å; E21-Q25 PolarHBondContact O-N 3.04Å
22L89Confident87.4Confident94 Ų9481.6 Ų81.649%0.49244%0.442SS..Hα-helixtrans-61.3-44.7174.1-176.567.3000111.4Q18 V19 R24 Q25 Q26Q18-L22 WeakPolarHBondContact O-CB 3.4Å; Q18-L22 PolarHBondContact O-N 2.91Å; V19-L22 PolarHBondContact O-N 3.48Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 3.02Å; L22-Q25 PolarHBondContact O-N 3.33Å; L22-Q26 WeakPolarHBondContact O-CG 3.48Å; L22-Q26 PolarHBondContact O-N 2.92Å
23V87.1Confident87.9Confident17 Ų1787.3 Ų87.310%0.10347%0.466CS..Hα-helixtrans-63.9-37.9175.5173.80000110.8A7 I10 A11 V19 I20 E21 Q25 Q26 L27A7-V23 HydrophobicContact CB-CB 4.34Å; A7-V23 HydrophobicContact CB-CG1 4.04Å; I10-V23 HydrophobicContact CB-CG1 4.13Å; I10-V23 HydrophobicContact CG2-CG1 3.94Å; A11-V23 HydrophobicContact CB-CG2 4.17Å; V19-V23 VanDerWaalsContact O-CG2 3.31Å; V19-V23 WeakPolarHBondContact O-CG2 3.33Å; V19-V23 PolarHBondContact O-N 3.39Å; I20-V23 PolarHBondContact O-N 3.3Å; E21-V23 PolarHBondContact O-N 2.95Å; V23-Q25 PolarHBondContact O-N 3.33Å; V23-Q26 PolarHBondContact O-N 3.47Å; V23-L27 HydrophobicContact CG1-CD1 3.7Å; V23-L27 HydrophobicContact CG1-CG 4.26Å; V23-L27 WeakPolarHBondContact O-CB 3.33Å; V23-L27 VanDerWaalsContact O-CG 3.26Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 2.88Å
24R88.6Confident88.6Confident69 Ų6988.1 Ų88.126%0.2645%0.452SS..Hα-helixtrans-59-47.1176.2-172.1179.7-80.9133-2.7111.7D5 A7 I20 E21 L22 L27 G28 L29D5-R24 IonicContact OD1-NH2 3.65Å; D5-R24 IonicContact OD2-CZ 2.64Å; D5-R24 IonicContact OD2-NH2 3.77Å; D5-R24 PolarHBondContact OD2-NH2 3.04Å; A7-R24 HydrophobicContact CB-CB 4.05Å; I20-R24 WeakPolarHBondContact O-CB 3.19Å; I20-R24 PolarHBondContact O-N 2.71Å; E21-R24 WeakPolarHBondContact O-CB 3.37Å; E21-R24 PolarHBondContact O-N 3.48Å; E21-R24 IonicContact OE2-CZ 2.62Å; E21-R24 IonicContact OE2-NH1 3.87Å; E21-R24 PolarHBondContact OE2-NH1 3.22Å; L22-R24 VanDerWaalsContact C-N 3.3Å; L22-R24 PolarHBondContact O-N 3.02Å; R24-L27 PolarHBondContact O-N 3.02Å; R24-G28 PolarHBondContact O-N 2.85Å; R24-L29 HydrophobicContact CB-CB 4.49Å; R24-L29 HydrophobicContact CG-CB 3.47Å; R24-L29 VanDerWaalsContact CG-CB 3.47Å; R24-L29 HydrophobicContact CG-CD1 4.33Å; R24-L29 WeakPolarHBondContact O-CB 3.15Å; R24-L29 PolarHBondContact O-N 3.42Å
25Q88.7Confident89.1Confident105 Ų10583.4 Ų83.449%0.49143%0.43SS..Hα-helixtrans-65.7-40.9176.4-69177.8300112.3E21 L22 V23 L27 G28 D30E21-Q25 PolarHBondContact O-N 3.04Å; L22-Q25 PolarHBondContact O-N 3.33Å; V23-Q25 PolarHBondContact O-N 3.33Å; Q25-L27 VanDerWaalsContact C-N 3.26Å; Q25-L27 PolarHBondContact O-N 3.4Å; Q25-G28 PolarHBondContact O-N 2.87Å; Q25-D30 HydrophobicContact CG-CB 4.3Å
26Q86.7Confident89.6Confident143 Ų14384.7 Ų84.767%0.66843%0.432SS*.Hα-helixtrans-62.6-32.8176.5-74.8178.6-4.400113L22 V23 G28L22-Q26 WeakPolarHBondContact O-CG 3.48Å; L22-Q26 PolarHBondContact O-N 2.92Å; V23-Q26 PolarHBondContact O-N 3.47Å; Q26-G28 VanDerWaalsContact C-N 3.3Å
27L86.2Confident89.8Confident80 Ų8085 Ų8542%0.41943%0.427SS..THydrogen-bonded Turntrans-84.1-2.7175.4-65.4170.3000113.1I10 V23 R24 Q25 L29I10-L27 HydrophobicContact CD1-CD1 3.6Å; I10-L27 HydrophobicContact CD1-CD2 4.08Å; I10-L27 HydrophobicContact CD1-CG 4.45Å; V23-L27 HydrophobicContact CG1-CD1 3.7Å; V23-L27 HydrophobicContact CG1-CG 4.26Å; V23-L27 WeakPolarHBondContact O-CB 3.33Å; V23-L27 VanDerWaalsContact O-CG 3.26Å; V23-L27 WeakPolarHBondContact O-CG 3.45Å; V23-L27 PolarHBondContact O-N 2.88Å; R24-L27 PolarHBondContact O-N 3.02Å; Q25-L27 VanDerWaalsContact C-N 3.26Å; Q25-L27 PolarHBondContact O-N 3.4Å; L27-L29 HydrophobicContact CB-CD1 3.81Å; L27-L29 HydrophobicContact CB-CG 3.71Å; L27-L29 HydrophobicContact CD1-CD1 3.79Å; L27-L29 HydrophobicContact CG-CD1 4.48Å; L27-L29 PolarHBondContact O-N 3.29Å
28G87.4Confident90.2Very high11 Ų1189.9 Ų89.911%0.11343%0.429CS..THydrogen-bonded Turntrans67.618-176.100000114.1R24 Q25 Q26 D30 Q31 Q36R24-G28 PolarHBondContact O-N 2.85Å; Q25-G28 PolarHBondContact O-N 2.87Å; Q26-G28 VanDerWaalsContact C-N 3.3Å; G28-D30 WeakPolarHBondContact CA-OD1 3.2Å; G28-D30 PolarHBondContact O-N 2.92Å; G28-Q31 WeakPolarHBondContact O-CB 3.28Å; G28-Q31 WeakPolarHBondContact O-CG 3.26Å; G28-Q31 PolarHBondContact O-N 2.99Å; G28-Q36 VanDerWaalsContact O-CG 3.29Å; G28-Q36 WeakPolarHBondContact O-CG 3.39Å
29L87.6Confident90.3Very high50 Ų5087.1 Ų87.126%0.26242%0.415SS..THydrogen-bonded Turntrans-75.1-12.1-177.5-65.7172.8000112.8P6 A7 R24 L27 Q31 Q36P6-L29 HydrophobicContact CG-CD1 3.69Å; P6-L29 HydrophobicContact CG-CD2 4.38Å; A7-L29 HydrophobicContact CB-CD1 4.29Å; R24-L29 HydrophobicContact CB-CB 4.49Å; R24-L29 HydrophobicContact CG-CB 3.47Å; R24-L29 VanDerWaalsContact CG-CB 3.47Å; R24-L29 HydrophobicContact CG-CD1 4.33Å; R24-L29 WeakPolarHBondContact O-CB 3.15Å; R24-L29 PolarHBondContact O-N 3.42Å; L27-L29 HydrophobicContact CB-CD1 3.81Å; L27-L29 HydrophobicContact CB-CG 3.71Å; L27-L29 HydrophobicContact CD1-CD1 3.79Å; L27-L29 HydrophobicContact CG-CD1 4.48Å; L27-L29 PolarHBondContact O-N 3.29Å; L29-Q31 VanDerWaalsContact C-N 3.3Å; L29-Q36 PolarHBondContact O-NE2 2.72Å
30D90.3Very high90.6Very high88 Ų8889.9 Ų89.947%0.47142%0.42SS..THydrogen-bonded Turntrans-76.4-17.3170.464.2-47.6000112.7Q25 G28Q25-D30 HydrophobicContact CG-CB 4.3Å; G28-D30 WeakPolarHBondContact CA-OD1 3.2Å; G28-D30 PolarHBondContact O-N 2.92Å
31Q90.9Very high91Very high85 Ų8592 Ų9240%0.39743%0.43SS..SBendtrans-78.1155.9179.7-57.4-178.719.500111.7G28 L29 H35 Q36G28-Q31 WeakPolarHBondContact O-CB 3.28Å; G28-Q31 WeakPolarHBondContact O-CG 3.26Å; G28-Q31 PolarHBondContact O-N 2.99Å; L29-Q31 VanDerWaalsContact C-N 3.3Å; Q31-H35 HydrophobicContact CB-CB 4.16Å; Q31-Q36 HydrophobicContact CB-CG 4.34Å; Q31-Q36 PolarHBondContact O-NE2 2.96Å
32P94.4Very high91.3Very high63 Ų6390.2 Ų90.241%0.40943%0.426SS..  trans-55.3145.5171.5-2534.6000112.4Y34 H35 Q36P32-Y34 HydrophobicContact CB-CD1 3.62Å; P32-Y34 HydrophobicContact CB-CE1 3.15Å; P32-Y34 HydrophobicContact CB-CE2 4.49Å; P32-Y34 HydrophobicContact CB-CG 4.44Å; P32-Y34 HydrophobicContact CG-CE1 3.91Å; P32-Y34 PolarHBondContact O-N 3.28Å; P32-H35 WeakPolarHBondContact O-CB 3.34Å; P32-H35 PolarHBondContact O-N 2.91Å; P32-Q36 PolarHBondContact O-N 3.37Å
33L92.3Very high91.6Very high141 Ų14187.5 Ų87.574%0.73841%0.412SS*.Hα-helixtrans-54.3-34.7-174.5-70.9175.6000114.2H35 Q36 F37L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.08Å; L33-Q36 PolarHBondContact O-N 3.45Å; L33-F37 WeakPolarHBondContact O-CB 3.48Å; L33-F37 PolarHBondContact O-N 3.36Å
34Y93.8Very high91.9Very high160 Ų16087.7 Ų87.763%0.62742%0.416SS*.Hα-helixtrans-67.2-32.9178.663.5-94.4000112.5P32 W38P32-Y34 HydrophobicContact CB-CD1 3.62Å; P32-Y34 HydrophobicContact CB-CE1 3.15Å; P32-Y34 HydrophobicContact CB-CE2 4.49Å; P32-Y34 HydrophobicContact CB-CG 4.44Å; P32-Y34 HydrophobicContact CG-CE1 3.91Å; P32-Y34 PolarHBondContact O-N 3.28Å; Y34-W38 VanDerWaalsContact O-CB 3.26Å; Y34-W38 WeakPolarHBondContact O-CB 3.5Å; Y34-W38 PolarHBondContact O-N 3.48Å
35H94.1Very high92.2Very high88 Ų8890.2 Ų90.241%0.40744%0.438SS..Hα-helixtrans-69.3-44.8173.3-90.3-73.2000111.2Q31 P32 L33 F37 W38 H39Q31-H35 HydrophobicContact CB-CB 4.16Å; P32-H35 WeakPolarHBondContact O-CB 3.34Å; P32-H35 PolarHBondContact O-N 2.91Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.08Å; H35-F37 VanDerWaalsContact C-N 3.32Å; H35-F37 PolarHBondContact O-N 3.33Å; H35-W38 PolarHBondContact O-N 2.7Å; H35-H39 WeakPolarHBondContact O-CB 3.3Å; H35-H39 PolarHBondContact O-N 2.94Å
36Q93Very high92.5Very high51 Ų5192.6 Ų92.624%0.23845%0.45CS..Hα-helixtrans-59-45.2176.6-63.1-177.239.900111.3G28 L29 Q31 P32 L33 H39 Y40G28-Q36 VanDerWaalsContact O-CG 3.29Å; G28-Q36 WeakPolarHBondContact O-CG 3.39Å; L29-Q36 PolarHBondContact O-NE2 2.72Å; Q31-Q36 HydrophobicContact CB-CG 4.34Å; Q31-Q36 PolarHBondContact O-NE2 2.96Å; P32-Q36 PolarHBondContact O-N 3.37Å; L33-Q36 PolarHBondContact O-N 3.45Å; Q36-H39 PolarHBondContact O-N 2.89Å; Q36-Y40 WeakPolarHBondContact O-CB 3.29Å; Q36-Y40 PolarHBondContact O-N 2.88Å
37F94.2Very high92.8Very high128 Ų12887.7 Ų87.756%0.56144%0.437SS*.Hα-helixtrans-66.8-41.4178.4-172.5-110.4000112.4L33 H35 Y40 I41L33-F37 WeakPolarHBondContact O-CB 3.48Å; L33-F37 PolarHBondContact O-N 3.36Å; H35-F37 VanDerWaalsContact C-N 3.32Å; H35-F37 PolarHBondContact O-N 3.33Å; F37-Y40 PolarHBondContact O-N 2.96Å; F37-I41 HydrophobicContact CD1-CD1 3.83Å; F37-I41 HydrophobicContact CD1-CG1 4.47Å; F37-I41 HydrophobicContact CE1-CD1 3.2Å; F37-I41 HydrophobicContact CE1-CG1 4.16Å; F37-I41 HydrophobicContact CE2-CD1 4.09Å; F37-I41 HydrophobicContact CE2-CG1 4.35Å; F37-I41 HydrophobicContact CZ-CD1 3.37Å; F37-I41 HydrophobicContact CZ-CG1 4.11Å; F37-I41 PolarHBondContact O-N 3.05Å
38W95.5Very high93.2Very high185 Ų18588 Ų8870%0.70144%0.439SS*.Hα-helixtrans-62.2-46175.5-174.8-102.4000111.7Y34 H35 Y40 I41 S42Y34-W38 VanDerWaalsContact O-CB 3.26Å; Y34-W38 WeakPolarHBondContact O-CB 3.5Å; Y34-W38 PolarHBondContact O-N 3.48Å; H35-W38 PolarHBondContact O-N 2.7Å; W38-Y40 PolarHBondContact O-N 3.01Å; W38-I41 PolarHBondContact O-N 2.99Å; W38-S42 VanDerWaalsContact O-CB 3.29Å; W38-S42 WeakPolarHBondContact O-CB 3.46Å; W38-S42 PolarHBondContact O-N 3.27Å; W38-S42 PolarHBondContact O-OG 2.83Å
39H92.7Very high93.4Very high110 Ų11091.3 Ų91.351%0.50945%0.45SS..Hα-helixtrans-58.4-48.9175.4-173.561.5000110.9H35 Q36 I41 S42 N43H35-H39 WeakPolarHBondContact O-CB 3.3Å; H35-H39 PolarHBondContact O-N 2.94Å; Q36-H39 PolarHBondContact O-N 2.89Å; H39-I41 PolarHBondContact O-N 3.08Å; H39-S42 WeakPolarHBondContact CA-OG 3.26Å; H39-S42 PolarHBondContact O-N 3.31Å; H39-S42 PolarHBondContact O-OG 3.36Å; H39-N43 PolarHBondContact CD2-ND2 2.79Å; H39-N43 PolarHBondContact CE1-ND2 3.5Å; H39-N43 PolarHBondContact NE2-ND2 3.29Å; H39-N43 VanDerWaalsContact O-CG 3.25Å; H39-N43 PolarHBondContact O-N 2.93Å; H39-N43 PolarHBondContact O-ND2 3.42Å
40Y93.6Very high93.5Very high125 Ų12590.3 Ų90.349%0.4945%0.453SS..Hα-helixtrans-56.3-51.4176.8173.7-101.4000112.7Q36 F37 W38 S42 N43 A44Q36-Y40 WeakPolarHBondContact O-CB 3.29Å; Q36-Y40 PolarHBondContact O-N 2.88Å; F37-Y40 PolarHBondContact O-N 2.96Å; W38-Y40 PolarHBondContact O-N 3.01Å; Y40-S42 VanDerWaalsContact C-N 3.34Å; Y40-S42 PolarHBondContact O-N 3.35Å; Y40-N43 PolarHBondContact O-N 3.45Å; Y40-A44 VanDerWaalsContact O-CB 3.22Å; Y40-A44 WeakPolarHBondContact O-CB 3.25Å; Y40-A44 PolarHBondContact O-N 3.13Å
41I95.9Very high93.5Very high65 Ų6592.1 Ų92.133%0.33346%0.461SS..Hα-helixtrans-61.9-44.6178.6-73.4-175.1000110.9F37 W38 H39 N43 A44 V45F37-I41 HydrophobicContact CD1-CD1 3.83Å; F37-I41 HydrophobicContact CD1-CG1 4.47Å; F37-I41 HydrophobicContact CE1-CD1 3.2Å; F37-I41 HydrophobicContact CE1-CG1 4.16Å; F37-I41 HydrophobicContact CE2-CD1 4.09Å; F37-I41 HydrophobicContact CE2-CG1 4.35Å; F37-I41 HydrophobicContact CZ-CD1 3.37Å; F37-I41 HydrophobicContact CZ-CG1 4.11Å; F37-I41 PolarHBondContact O-N 3.05Å; W38-I41 PolarHBondContact O-N 2.99Å; H39-I41 PolarHBondContact O-N 3.08Å; I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 3.39Å; I41-A44 PolarHBondContact O-N 3.48Å; I41-V45 HydrophobicContact CG2-CG2 4.24Å; I41-V45 WeakPolarHBondContact O-CG2 3.38Å; I41-V45 PolarHBondContact O-N 2.73Å
42S95.8Very high93.3Very high36 Ų3689 Ų8925%0.25245%0.45SS..Hα-helixtrans-60.7-39.4-178.270.70000112.1W38 H39 Y40 Q46W38-S42 VanDerWaalsContact O-CB 3.29Å; W38-S42 WeakPolarHBondContact O-CB 3.46Å; W38-S42 PolarHBondContact O-N 3.27Å; W38-S42 PolarHBondContact O-OG 2.83Å; H39-S42 WeakPolarHBondContact CA-OG 3.26Å; H39-S42 PolarHBondContact O-N 3.31Å; H39-S42 PolarHBondContact O-OG 3.36Å; Y40-S42 VanDerWaalsContact C-N 3.34Å; Y40-S42 PolarHBondContact O-N 3.35Å; S42-Q46 WeakPolarHBondContact O-CG 3.26Å; S42-Q46 PolarHBondContact O-NE2 3.37Å
43N94.5Very high92.6Very high37 Ų3791.3 Ų91.320%0.19846%0.456CS..Hα-helixtrans-72.7-43.6175.3-64.4-12000111H39 Y40 I41 V45 Q46 G47 D48H39-N43 PolarHBondContact CD2-ND2 2.79Å; H39-N43 PolarHBondContact CE1-ND2 3.5Å; H39-N43 PolarHBondContact NE2-ND2 3.29Å; H39-N43 VanDerWaalsContact O-CG 3.25Å; H39-N43 PolarHBondContact O-N 2.93Å; H39-N43 PolarHBondContact O-ND2 3.42Å; Y40-N43 PolarHBondContact O-N 3.45Å; I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 3.39Å; N43-V45 VanDerWaalsContact C-N 3.32Å; N43-V45 PolarHBondContact O-N 3.48Å; N43-Q46 CarbonylContact O-C 3.06Å; N43-Q46 WeakPolarHBondContact O-CA 3.31Å; N43-Q46 WeakPolarHBondContact O-CB 3.27Å; N43-Q46 PolarHBondContact O-N 3.45Å; N43-G47 PolarHBondContact O-N 3.19Å; N43-G47 VanDerWaalsContact O-N 3.16Å; N43-D48 CarbonylContact C-O 3.55Å; N43-D48 HydrophobicContact CB-CB 4.11Å; N43-D48 VanDerWaalsContact CB-O 3.29Å; N43-D48 WeakPolarHBondContact CB-O 3.37Å; N43-D48 PolarHBondContact O-N 2.85Å
44A94.5Very high92.1Very high22 Ų2291.3 Ų91.318%0.18246%0.461CS..Hα-helixtrans-61-39-178.900000112.5Y40 I41 Q46 G47 D48 F49Y40-A44 VanDerWaalsContact O-CB 3.22Å; Y40-A44 WeakPolarHBondContact O-CB 3.25Å; Y40-A44 PolarHBondContact O-N 3.13Å; I41-A44 PolarHBondContact O-N 3.48Å; A44-Q46 PolarHBondContact O-N 2.88Å; A44-G47 PolarHBondContact O-N 3.33Å; A44-D48 WeakPolarHBondContact CA-O 3.26Å; A44-D48 PolarHBondContact N-O 2.97Å; A44-F49 HydrophobicContact CB-CD1 4.09Å; A44-F49 HydrophobicContact CB-CE1 3.83Å
45V95Very high91.6Very high122 Ų12285.9 Ų85.974%0.73945%0.447SS*.Hα-helixtrans-66.1-28.4174.91720000111.8I41 N43 G47I41-V45 HydrophobicContact CG2-CG2 4.24Å; I41-V45 WeakPolarHBondContact O-CG2 3.38Å; I41-V45 PolarHBondContact O-N 2.73Å; N43-V45 VanDerWaalsContact C-N 3.32Å; N43-V45 PolarHBondContact O-N 3.48Å; V45-G47 PolarHBondContact O-N 2.94Å
46Q94.4Very high91.2Very high155 Ų15591.5 Ų91.572%0.72447%0.465SS*.THydrogen-bonded Turntrans-81.5-2.3172.8-6617064.200112.8S42 N43 A44S42-Q46 WeakPolarHBondContact O-CG 3.26Å; S42-Q46 PolarHBondContact O-NE2 3.37Å; N43-Q46 CarbonylContact O-C 3.06Å; N43-Q46 WeakPolarHBondContact O-CA 3.31Å; N43-Q46 WeakPolarHBondContact O-CB 3.27Å; N43-Q46 PolarHBondContact O-N 3.45Å; A44-Q46 PolarHBondContact O-N 2.88Å
47G92.6Very high90.9Very high39 Ų3997.2 Ų97.240%0.40248%0.484SS..THydrogen-bonded Turntrans87.14.2-176.800000114.4N43 A44 V45N43-G47 PolarHBondContact O-N 3.19Å; N43-G47 VanDerWaalsContact O-N 3.16Å; A44-G47 PolarHBondContact O-N 3.33Å; V45-G47 PolarHBondContact O-N 2.94Å
48D94Very high90.9Very high88 Ų8893.8 Ų93.847%0.47147%0.474SS..  trans-93.3103.9175.4-175.87.3000110.7N43 A44 G50N43-D48 CarbonylContact C-O 3.55Å; N43-D48 HydrophobicContact CB-CB 4.11Å; N43-D48 VanDerWaalsContact CB-O 3.29Å; N43-D48 WeakPolarHBondContact CB-O 3.37Å; N43-D48 PolarHBondContact O-N 2.85Å; A44-D48 WeakPolarHBondContact CA-O 3.26Å; A44-D48 PolarHBondContact N-O 2.97Å; D48-G50 WeakPolarHBondContact OD1-CA 3.2Å; D48-G50 PolarHBondContact OD1-N 2.8Å
49F92.8Very high90.8Very high79 Ų7986.8 Ų86.835%0.34645%0.452SS..  trans-95.15.2175.6-65-80.9000112.8A44 V59 A60A44-F49 HydrophobicContact CB-CD1 4.09Å; A44-F49 HydrophobicContact CB-CE1 3.83Å; F49-V59 HydrophobicContact CB-CB 3.7Å; F49-V59 HydrophobicContact CB-CG1 3.76Å; F49-V59 HydrophobicContact CG-CG1 4.49Å; F49-A60 HydrophobicContact CD2-CB 4.23Å
50G90Very high90.8Very high30 Ų3083.3 Ų83.331%0.30944%0.442SS..  trans75.5-165.2-175.900000113.9D48 V59D48-G50 WeakPolarHBondContact OD1-CA 3.2Å; D48-G50 PolarHBondContact OD1-N 2.8Å; G50-V59 PolarHBondContact O-N 3.48Å
51L89.2Confident90.7Very high125 Ų12582 Ų8265%0.65444%0.444SS*.BIsolated β-bridgetrans-99137.2-178.6-65.6173.9000111.4M53 P58L51-M53 PolarHBondContact O-N 2.89Å; L51-P58 HydrophobicContact CD2-CG 4.18Å
52S87.2Confident90.5Very high21 Ų2181.1 Ų81.115%0.14744%0.438CS..  trans-65.7125.9171.6173.80000110.3V54 S55 R56 R57 E62S52-V54 PolarHBondContact O-N 2.69Å; S52-V54 PolarHBondContact OG-N 2.99Å; S52-S55 WeakPolarHBondContact CB-OG 3.4Å; S52-S55 PolarHBondContact OG-N 3.32Å; S52-S55 PolarHBondContact OG-OG 3.23Å; S52-R56 WeakPolarHBondContact O-CA 3.44Å; S52-R56 PolarHBondContact O-N 3.11Å; S52-R57 WeakPolarHBondContact CB-O 3.27Å; S52-R57 PolarHBondContact N-O 3.45Å; S52-E62 WeakPolarHBondContact CB-OE1 3.27Å; S52-E62 PolarHBondContact OG-OE1 3.18Å
53M79.7Confident90.3Very high111 Ų11183.5 Ų83.555%0.54745%0.447SS..THydrogen-bonded Turntrans-63.5-23.7176.7-70.2-177.9-88.600112.9P6 L9 I10 L51P6-M53 HydrophobicContact CB-CE 4.39Å; P6-M53 HydrophobicContact CB-SD 3.65Å; L9-M53 HydrophobicContact CD1-SD 4.37Å; I10-M53 HydrophobicContact CD1-CG 4.08Å; I10-M53 HydrophobicContact CD1-SD 4.39Å; I10-M53 HydrophobicContact CG1-CG 4.16Å; L51-M53 PolarHBondContact O-N 2.89Å
54V80.8Confident90.2Very high140 Ų14083.8 Ų83.885%0.84846%0.455SS*.THydrogen-bonded Turntrans-90.5-52.5-176.3-178.70000111.3S52S52-V54 PolarHBondContact O-N 2.69Å; S52-V54 PolarHBondContact OG-N 2.99Å
55S83.7Confident90Very high47 Ų4786.4 Ų86.433%0.32947%0.472SS..THydrogen-bonded Turntrans-92.7-13.9-174.577.80000113.8S52 R57 E62S52-S55 WeakPolarHBondContact CB-OG 3.4Å; S52-S55 PolarHBondContact OG-N 3.32Å; S52-S55 PolarHBondContact OG-OG 3.23Å; S55-R57 PolarHBondContact O-N 3.29Å; S55-R57 WeakPolarHBondContact OG-CB 3.22Å; S55-R57 PolarHBondContact OG-N 3.26Å; S55-R57 VanDerWaalsContact OG-N 3.15Å; S55-E62 WeakPolarHBondContact CB-OE1 3.37Å; S55-E62 PolarHBondContact OG-OE1 3.31Å
56R85.3Confident89.8Confident206 Ų20689.1 Ų89.178%0.77747%0.469SS*.  trans56.223.8-171.2-56.5-178.4177.7125.7-3.4113.9S52S52-R56 WeakPolarHBondContact O-CA 3.44Å; S52-R56 PolarHBondContact O-N 3.11Å
57R88.3Confident89.8Confident171 Ų17186.9 Ų86.965%0.64546%0.457SS*.SBendtrans-103.1156.8174.1-63.1-176.7178.1-172.5-1.9110.8S52 S55 V59S52-R57 WeakPolarHBondContact CB-O 3.27Å; S52-R57 PolarHBondContact N-O 3.45Å; S55-R57 PolarHBondContact O-N 3.29Å; S55-R57 WeakPolarHBondContact OG-CB 3.22Å; S55-R57 PolarHBondContact OG-N 3.26Å; S55-R57 VanDerWaalsContact OG-N 3.15Å; R57-V59 PolarHBondContact O-N 2.93Å
58P92.8Very high89.7Confident55 Ų5589 Ų8936%0.35746%0.457SS..BIsolated β-bridgetrans-52.6129.6169-2535.2000110.5L51 A60 D61 E62L51-P58 HydrophobicContact CD2-CG 4.18Å; P58-A60 PolarHBondContact O-N 3.25Å; P58-D61 HydrophobicContact CB-CB 4.44Å; P58-D61 WeakPolarHBondContact CG-OD2 3.38Å; P58-D61 PolarHBondContact O-N 3.4Å; P58-D61 VanDerWaalsContact O-N 3.09Å; P58-E62 PolarHBondContact O-N 2.94Å
59V93.9Very high89.8Confident39 Ų3988.3 Ų88.324%0.23646%0.458CS..Hα-helixtrans-61.5-32.8179.4171.10000110.5F49 G50 R57 D61 E62 I63F49-V59 HydrophobicContact CB-CB 3.7Å; F49-V59 HydrophobicContact CB-CG1 3.76Å; F49-V59 HydrophobicContact CG-CG1 4.49Å; G50-V59 PolarHBondContact O-N 3.48Å; R57-V59 PolarHBondContact O-N 2.93Å; V59-D61 VanDerWaalsContact C-N 3.31Å; V59-D61 PolarHBondContact O-N 3.49Å; V59-E62 PolarHBondContact O-N 3.32Å; V59-I63 HydrophobicContact CG1-CD1 3.73Å; V59-I63 HydrophobicContact CG1-CG1 4.17Å; V59-I63 VanDerWaalsContact O-CG1 3.31Å; V59-I63 WeakPolarHBondContact O-CG1 3.31Å; V59-I63 PolarHBondContact O-N 3.23Å
60A92.2Very high89.8Confident36 Ų3688.4 Ų88.430%0.29847%0.465SS..Hα-helixtrans-55.9-43.9173.700000112.4F49 P58 I63 A64F49-A60 HydrophobicContact CD2-CB 4.23Å; P58-A60 PolarHBondContact O-N 3.25Å; A60-I63 PolarHBondContact O-N 3.36Å; A60-A64 VanDerWaalsContact O-CB 3.31Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 2.89Å
61D91.9Very high90.2Very high99 Ų9989.8 Ų89.853%0.52947%0.465SS..Hα-helixtrans-68.6-39.8178.9-66-23.8000111.5P58 V59 A64 S65P58-D61 HydrophobicContact CB-CB 4.44Å; P58-D61 WeakPolarHBondContact CG-OD2 3.38Å; P58-D61 PolarHBondContact O-N 3.4Å; P58-D61 VanDerWaalsContact O-N 3.09Å; V59-D61 VanDerWaalsContact C-N 3.31Å; V59-D61 PolarHBondContact O-N 3.49Å; D61-A64 PolarHBondContact O-N 3.16Å; D61-S65 VanDerWaalsContact O-CB 3.28Å; D61-S65 WeakPolarHBondContact O-CB 3.39Å; D61-S65 PolarHBondContact O-N 3.49Å; D61-S65 PolarHBondContact O-OG 3.49Å
62E91.7Very high90.5Very high46 Ų4691.8 Ų91.822%0.21546%0.464CS..Hα-helixtrans-61.6-45.7174.1-79.3-156.7-134.800111.7S52 S55 P58 V59 S65 R66S52-E62 WeakPolarHBondContact CB-OE1 3.27Å; S52-E62 PolarHBondContact OG-OE1 3.18Å; S55-E62 WeakPolarHBondContact CB-OE1 3.37Å; S55-E62 PolarHBondContact OG-OE1 3.31Å; P58-E62 PolarHBondContact O-N 2.94Å; V59-E62 PolarHBondContact O-N 3.32Å; E62-S65 PolarHBondContact O-N 2.94Å; E62-S65 PolarHBondContact O-OG 2.81Å; E62-R66 PolarHBondContact O-N 3Å
63I92.5Very high90.9Very high85 Ų8596.3 Ų96.344%0.43649%0.486SS..Hα-helixtrans-61.7-50.1176.2-68.4169.9000109.5V59 A60 S65 R66 F67V59-I63 HydrophobicContact CG1-CD1 3.73Å; V59-I63 HydrophobicContact CG1-CG1 4.17Å; V59-I63 VanDerWaalsContact O-CG1 3.31Å; V59-I63 WeakPolarHBondContact O-CG1 3.31Å; V59-I63 PolarHBondContact O-N 3.23Å; A60-I63 PolarHBondContact O-N 3.36Å; I63-S65 VanDerWaalsContact C-N 3.29Å; I63-S65 PolarHBondContact O-N 2.86Å; I63-R66 PolarHBondContact O-N 2.94Å; I63-R66 VanDerWaalsContact O-N 3.15Å; I63-F67 HydrophobicContact CG2-CB 4.39Å; I63-F67 WeakPolarHBondContact O-CB 3.35Å; I63-F67 PolarHBondContact O-N 3.39Å
64A91.2Very high91.7Very high44 Ų4494.7 Ų94.736%0.36448%0.482SS..Hα-helixtrans-58-42.5-179.900000111.8A60 D61 R66 F67 M68A60-A64 VanDerWaalsContact O-CB 3.31Å; A60-A64 WeakPolarHBondContact O-CB 3.28Å; A60-A64 PolarHBondContact O-N 2.89Å; D61-A64 PolarHBondContact O-N 3.16Å; A64-R66 VanDerWaalsContact C-N 3.26Å; A64-R66 PolarHBondContact O-N 3.42Å; A64-F67 PolarHBondContact O-N 2.84Å; A64-M68 WeakPolarHBondContact O-CB 3.32Å; A64-M68 VanDerWaalsContact O-CG 3.28Å; A64-M68 WeakPolarHBondContact O-CG 3.42Å; A64-M68 PolarHBondContact O-N 2.77Å
65S91.6Very high92.5Very high76 Ų7691.5 Ų91.553%0.53146%0.46SS..Hα-helixtrans-63-30-180750000113.7D61 E62 I63 P69D61-S65 VanDerWaalsContact O-CB 3.28Å; D61-S65 WeakPolarHBondContact O-CB 3.39Å; D61-S65 PolarHBondContact O-N 3.49Å; D61-S65 PolarHBondContact O-OG 3.49Å; E62-S65 PolarHBondContact O-N 2.94Å; E62-S65 PolarHBondContact O-OG 2.81Å; I63-S65 VanDerWaalsContact C-N 3.29Å; I63-S65 PolarHBondContact O-N 2.86Å; S65-P69 WeakPolarHBondContact O-CD 3.1Å; S65-P69 VanDerWaalsContact O-CG 3.31Å; S65-P69 WeakPolarHBondContact O-CG 3.38Å
66R90.3Very high93.1Very high179 Ų17992.5 Ų92.568%0.67546%0.464SS*.Hα-helixtrans-94.2-36.9178.8-64180-173.5-128.66112.3E62 I63 A64 P69 T70E62-R66 PolarHBondContact O-N 3Å; I63-R66 PolarHBondContact O-N 2.94Å; I63-R66 VanDerWaalsContact O-N 3.15Å; A64-R66 VanDerWaalsContact C-N 3.26Å; A64-R66 PolarHBondContact O-N 3.42Å; R66-P69 WeakPolarHBondContact O-CD 3.49Å; R66-T70 PolarHBondContact O-OG1 3.28Å
67F93.5Very high93.7Very high109 Ų10985.6 Ų85.648%0.47845%0.447SS..Hα-helixtrans-71.8-43.7-177.3178.7-108.2000112I63 A64 T70 L71I63-F67 HydrophobicContact CG2-CB 4.39Å; I63-F67 WeakPolarHBondContact O-CB 3.35Å; I63-F67 PolarHBondContact O-N 3.39Å; A64-F67 PolarHBondContact O-N 2.84Å; F67-T70 PolarHBondContact O-N 3.33Å; F67-L71 HydrophobicContact CE1-CB 4.37Å; F67-L71 HydrophobicContact CE1-CD2 3.95Å; F67-L71 HydrophobicContact CZ-CB 4.46Å; F67-L71 HydrophobicContact CZ-CD1 4.23Å; F67-L71 HydrophobicContact CZ-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.14Å; F67-L71 PolarHBondContact O-N 3.21Å
68M92.3Very high94.1Very high82 Ų8283.3 Ų83.340%0.40445%0.445SS..Hα-helixtrans-58.8-46.7-178-73-70.711400112.9A64 T70 L71 W72A64-M68 WeakPolarHBondContact O-CB 3.32Å; A64-M68 VanDerWaalsContact O-CG 3.28Å; A64-M68 WeakPolarHBondContact O-CG 3.42Å; A64-M68 PolarHBondContact O-N 2.77Å; M68-T70 PolarHBondContact O-N 3.15Å; M68-L71 HydrophobicContact CE-CD2 3.74Å; M68-L71 PolarHBondContact O-N 2.99Å; M68-L71 HydrophobicContact SD-CD2 4.39Å; M68-W72 PolarHBondContact O-N 3.47Å
69P94.7Very high94.3Very high75 Ų7584.4 Ų84.449%0.48745%0.451SS..Hα-helixtrans-58-44.6173.5-26.935.3000113.6S65 R66 L71 W72 L73S65-P69 WeakPolarHBondContact O-CD 3.1Å; S65-P69 VanDerWaalsContact O-CG 3.31Å; S65-P69 WeakPolarHBondContact O-CG 3.38Å; R66-P69 WeakPolarHBondContact O-CD 3.49Å; P69-L71 VanDerWaalsContact C-N 3.34Å; P69-L71 PolarHBondContact O-N 3.3Å; P69-W72 PolarHBondContact O-N 2.88Å; P69-L73 WeakPolarHBondContact O-CB 3.37Å; P69-L73 PolarHBondContact O-N 3.49Å
70T94.3Very high94.5Very high81 Ų8189.3 Ų89.350%0.49747%0.465SS..Hα-helixtrans-62.7-42.8176.6-58.10000111R66 F67 M68 W72 L73 T74R66-T70 PolarHBondContact O-OG1 3.28Å; F67-T70 PolarHBondContact O-N 3.33Å; M68-T70 PolarHBondContact O-N 3.15Å; T70-W72 PolarHBondContact O-N 3.4Å; T70-L73 PolarHBondContact O-N 2.85Å; T70-T74 WeakPolarHBondContact O-CB 3.31Å; T70-T74 PolarHBondContact O-N 3.21Å; T70-T74 PolarHBondContact O-OG1 3.46Å
71L96.7Very high94.6Very high58 Ų5890.6 Ų90.630%0.30448%0.476SS..Hα-helixtrans-60.4-47.4178-176.565.9000111.4F67 M68 P69 L73 T74 I75F67-L71 HydrophobicContact CE1-CB 4.37Å; F67-L71 HydrophobicContact CE1-CD2 3.95Å; F67-L71 HydrophobicContact CZ-CB 4.46Å; F67-L71 HydrophobicContact CZ-CD1 4.23Å; F67-L71 HydrophobicContact CZ-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.14Å; F67-L71 PolarHBondContact O-N 3.21Å; M68-L71 HydrophobicContact CE-CD2 3.74Å; M68-L71 PolarHBondContact O-N 2.99Å; M68-L71 HydrophobicContact SD-CD2 4.39Å; P69-L71 VanDerWaalsContact C-N 3.34Å; P69-L71 PolarHBondContact O-N 3.3Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 2.75Å; L71-T74 PolarHBondContact O-N 3.38Å; L71-I75 HydrophobicContact CD1-CD1 3.96Å; L71-I75 HydrophobicContact CD1-CG1 4.35Å; L71-I75 HydrophobicContact CG-CD1 3.84Å; L71-I75 WeakPolarHBondContact O-CB 3.46Å; L71-I75 VanDerWaalsContact O-CG1 3.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.29Å; L71-I75 PolarHBondContact O-N 3.25Å
72W95.7Very high94.8Very high167 Ų16789.5 Ų89.563%0.63347%0.473SS*.Hα-helixtrans-60.7-43.8175.4-76.8120000112.2M68 P69 T70 T76M68-W72 PolarHBondContact O-N 3.47Å; P69-W72 PolarHBondContact O-N 2.88Å; T70-W72 PolarHBondContact O-N 3.4Å; W72-T76 VanDerWaalsContact O-CB 3.27Å; W72-T76 WeakPolarHBondContact O-CB 3.22Å; W72-T76 PolarHBondContact O-N 2.9Å; W72-T76 PolarHBondContact O-OG1 2.91Å
73L95.7Very high95.1Very high117 Ų11791.6 Ų91.661%0.61348%0.484SS*.Hα-helixtrans-61.4-47.2176.7-177.964.7000111.1P69 T70 L71 S77P69-L73 WeakPolarHBondContact O-CB 3.37Å; P69-L73 PolarHBondContact O-N 3.49Å; T70-L73 PolarHBondContact O-N 2.85Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 2.75Å; L73-S77 WeakPolarHBondContact O-CB 3.5Å; L73-S77 PolarHBondContact O-N 3.47Å; L73-S77 PolarHBondContact O-OG 2.86Å
74T96.5Very high95.2Very high76 Ų7693.8 Ų93.847%0.46649%0.491SS..Hα-helixtrans-61.1-50.5178.4-62.90000111.1T70 L71 T76 S77 M78T70-T74 WeakPolarHBondContact O-CB 3.31Å; T70-T74 PolarHBondContact O-N 3.21Å; T70-T74 PolarHBondContact O-OG1 3.46Å; L71-T74 PolarHBondContact O-N 3.38Å; T74-T76 PolarHBondContact O-N 3.37Å; T74-S77 PolarHBondContact O-N 2.98Å; T74-M78 VanDerWaalsContact O-CB 3.27Å; T74-M78 WeakPolarHBondContact O-CB 3.31Å; T74-M78 PolarHBondContact O-N 3.45Å
75I98Very high95.2Very high74 Ų7493.8 Ų93.838%0.37950%0.496SS..Hα-helixtrans-60.9-48.4-179.5-69.1169.9000110.5L71 S77 M78 V79L71-I75 HydrophobicContact CD1-CD1 3.96Å; L71-I75 HydrophobicContact CD1-CG1 4.35Å; L71-I75 HydrophobicContact CG-CD1 3.84Å; L71-I75 WeakPolarHBondContact O-CB 3.46Å; L71-I75 VanDerWaalsContact O-CG1 3.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.29Å; L71-I75 PolarHBondContact O-N 3.25Å; I75-S77 VanDerWaalsContact C-N 3.35Å; I75-S77 PolarHBondContact O-N 3.46Å; I75-M78 PolarHBondContact O-N 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.4Å; I75-V79 PolarHBondContact O-N 3.42Å
76T97.2Very high95.3Very high67 Ų6795.7 Ų95.741%0.41150%0.498SS..Hα-helixtrans-62.6-43.8-179.4-540000111.2W72 T74 M78 V79 W80W72-T76 VanDerWaalsContact O-CB 3.27Å; W72-T76 WeakPolarHBondContact O-CB 3.22Å; W72-T76 PolarHBondContact O-N 2.9Å; W72-T76 PolarHBondContact O-OG1 2.91Å; T74-T76 PolarHBondContact O-N 3.37Å; T76-M78 VanDerWaalsContact C-N 3.31Å; T76-M78 PolarHBondContact O-N 2.94Å; T76-V79 PolarHBondContact O-N 2.93Å; T76-W80 PolarHBondContact O-N 3.47Å; T76-W80 VanDerWaalsContact O-N 3.08Å
77S95.9Very high95.4Very high62 Ų6289.4 Ų89.443%0.43448%0.483SS..Hα-helixtrans-62.7-40176.3-57.80000111.6L73 T74 I75 W80 A81L73-S77 WeakPolarHBondContact O-CB 3.5Å; L73-S77 PolarHBondContact O-N 3.47Å; L73-S77 PolarHBondContact O-OG 2.86Å; T74-S77 PolarHBondContact O-N 2.98Å; I75-S77 VanDerWaalsContact C-N 3.35Å; I75-S77 PolarHBondContact O-N 3.46Å; S77-W80 PolarHBondContact O-N 2.91Å; S77-A81 VanDerWaalsContact O-CB 3.26Å; S77-A81 WeakPolarHBondContact O-CB 3.26Å; S77-A81 PolarHBondContact O-N 3.07Å
78M97.2Very high95.1Very high123 Ų12386.3 Ų86.361%0.60648%0.478SS*.Hα-helixtrans-67.1-40.2179.1-157.6168.681.300111.6T74 I75 T76 A81 V82T74-M78 VanDerWaalsContact O-CB 3.27Å; T74-M78 WeakPolarHBondContact O-CB 3.31Å; T74-M78 PolarHBondContact O-N 3.45Å; I75-M78 PolarHBondContact O-N 3.28Å; T76-M78 VanDerWaalsContact C-N 3.31Å; T76-M78 PolarHBondContact O-N 2.94Å; M78-A81 PolarHBondContact O-N 2.82Å; M78-V82 WeakPolarHBondContact O-CB 3.37Å; M78-V82 VanDerWaalsContact O-CG2 3.26Å; M78-V82 WeakPolarHBondContact O-CG2 3.37Å; M78-V82 PolarHBondContact O-N 3.39Å
79V98.4Very high94.9Very high78 Ų7884.3 Ų84.347%0.47348%0.479SS..Hα-helixtrans-59.2-50173.5169.70000110.7I75 T76 A81 V82 I83I75-V79 WeakPolarHBondContact O-CG2 3.4Å; I75-V79 PolarHBondContact O-N 3.42Å; T76-V79 PolarHBondContact O-N 2.93Å; V79-A81 PolarHBondContact O-N 3.35Å; V79-V82 PolarHBondContact O-N 3.26Å; V79-I83 HydrophobicContact CG1-CD1 3.84Å; V79-I83 VanDerWaalsContact O-CG1 3.31Å; V79-I83 WeakPolarHBondContact O-CG1 3.43Å; V79-I83 PolarHBondContact O-N 3.26Å
80W97.5Very high94.8Very high141 Ų14185.6 Ų85.653%0.53448%0.48SS..Hα-helixtrans-62.3-43177.2-77.3117.5000112.5T76 S77 V82 I83 F84T76-W80 PolarHBondContact O-N 3.47Å; T76-W80 VanDerWaalsContact O-N 3.08Å; S77-W80 PolarHBondContact O-N 2.91Å; W80-V82 VanDerWaalsContact C-N 3.32Å; W80-V82 PolarHBondContact O-N 3.28Å; W80-I83 HydrophobicContact CE3-CD1 4.43Å; W80-I83 PolarHBondContact O-N 3.39Å; W80-F84 HydrophobicContact CB-CD2 4.36Å; W80-F84 HydrophobicContact CB-CE2 4.46Å; W80-F84 HydrophobicContact CD2-CE2 4.11Å; W80-F84 AromaticContact CE3-CD2 3.97Å; W80-F84 HydrophobicContact CE3-CD2 3.97Å; W80-F84 AromaticContact CE3-CE2 3.24Å; W80-F84 HydrophobicContact CE3-CE2 3.24Å; W80-F84 AromaticContact CE3-CZ 3.88Å; W80-F84 HydrophobicContact CE3-CZ 3.88Å; W80-F84 AromaticContact CZ3-CE2 3.75Å; W80-F84 HydrophobicContact CZ3-CE2 3.75Å; W80-F84 AromaticContact CZ3-CZ 3.89Å; W80-F84 HydrophobicContact CZ3-CZ 3.89Å; W80-F84 WeakPolarHBondContact O-CD2 3.28Å; W80-F84 PolarHBondContact O-N 2.87Å
81A94.1Very high94.6Very high63 Ų6385.5 Ų85.552%0.52148%0.476SS..Hα-helixtrans-60.6-41.2177.400000111.8S77 M78 V79 G85S77-A81 VanDerWaalsContact O-CB 3.26Å; S77-A81 WeakPolarHBondContact O-CB 3.26Å; S77-A81 PolarHBondContact O-N 3.07Å; M78-A81 PolarHBondContact O-N 2.82Å; V79-A81 PolarHBondContact O-N 3.35Å; A81-G85 VanDerWaalsContact O-CA 3.28Å; A81-G85 WeakPolarHBondContact O-CA 3.39Å; A81-G85 PolarHBondContact O-N 3.09Å
82V96.8Very high94Very high77 Ų7783.2 Ų83.247%0.46747%0.466SS..Hα-helixtrans-65-47.5175.7169.70000110.6M78 V79 W80 M86M78-V82 WeakPolarHBondContact O-CB 3.37Å; M78-V82 VanDerWaalsContact O-CG2 3.26Å; M78-V82 WeakPolarHBondContact O-CG2 3.37Å; M78-V82 PolarHBondContact O-N 3.39Å; V79-V82 PolarHBondContact O-N 3.26Å; W80-V82 VanDerWaalsContact C-N 3.32Å; W80-V82 PolarHBondContact O-N 3.28Å; V82-M86 HydrophobicContact CG1-CG 4.2Å; V82-M86 HydrophobicContact CG1-SD 3.65Å; V82-M86 WeakPolarHBondContact O-CB 3.29Å; V82-M86 WeakPolarHBondContact O-CG 3.49Å; V82-M86 PolarHBondContact O-N 2.73Å
83I97.5Very high93.5Very high90 Ų9078.5 Ų78.546%0.46246%0.462SS..Hα-helixtrans-59.3-54.4-179.8-68.6166.9000110.9V79 W80 A87V79-I83 HydrophobicContact CG1-CD1 3.84Å; V79-I83 VanDerWaalsContact O-CG1 3.31Å; V79-I83 WeakPolarHBondContact O-CG1 3.43Å; V79-I83 PolarHBondContact O-N 3.26Å; W80-I83 HydrophobicContact CE3-CD1 4.43Å; W80-I83 PolarHBondContact O-N 3.39Å; I83-A87 WeakPolarHBondContact O-CB 3.33Å; I83-A87 PolarHBondContact O-N 3.24Å
84F94.2Very high93.3Very high130 Ų13078 Ų7857%0.5746%0.464SS*.Hα-helixtrans-71.4-40.3-177.4-71.6-64.5000112.4W80 A87 A88W80-F84 HydrophobicContact CB-CD2 4.36Å; W80-F84 HydrophobicContact CB-CE2 4.46Å; W80-F84 HydrophobicContact CD2-CE2 4.11Å; W80-F84 AromaticContact CE3-CD2 3.97Å; W80-F84 HydrophobicContact CE3-CD2 3.97Å; W80-F84 AromaticContact CE3-CE2 3.24Å; W80-F84 HydrophobicContact CE3-CE2 3.24Å; W80-F84 AromaticContact CE3-CZ 3.88Å; W80-F84 HydrophobicContact CE3-CZ 3.88Å; W80-F84 AromaticContact CZ3-CE2 3.75Å; W80-F84 HydrophobicContact CZ3-CE2 3.75Å; W80-F84 AromaticContact CZ3-CZ 3.89Å; W80-F84 HydrophobicContact CZ3-CZ 3.89Å; W80-F84 WeakPolarHBondContact O-CD2 3.28Å; W80-F84 PolarHBondContact O-N 2.87Å; F84-A87 PolarHBondContact O-N 3.39Å; F84-A88 VanDerWaalsContact O-CB 3.26Å; F84-A88 WeakPolarHBondContact O-CB 3.29Å; F84-A88 PolarHBondContact O-N 2.87Å
85G91.3Very high92.7Very high45 Ų4580.9 Ų80.946%0.46447%0.466SS..Hα-helixtrans-63.5-43.917800000112.1A81 G89A81-G85 VanDerWaalsContact O-CA 3.28Å; A81-G85 WeakPolarHBondContact O-CA 3.39Å; A81-G85 PolarHBondContact O-N 3.09Å; G85-G89 PolarHBondContact O-N 3.24Å
86M93.9Very high91.8Very high116 Ų11687 Ų8757%0.57148%0.484SS*.Hα-helixtrans-65.5-46.1174.5-74-176.860.500111.8V82 A88 G89 I90V82-M86 HydrophobicContact CG1-CG 4.2Å; V82-M86 HydrophobicContact CG1-SD 3.65Å; V82-M86 WeakPolarHBondContact O-CB 3.29Å; V82-M86 WeakPolarHBondContact O-CG 3.49Å; V82-M86 PolarHBondContact O-N 2.73Å; M86-A88 PolarHBondContact O-N 3Å; M86-G89 PolarHBondContact O-N 3.42Å; M86-I90 WeakPolarHBondContact O-CB 3.45Å; M86-I90 WeakPolarHBondContact O-CD1 3.46Å; M86-I90 WeakPolarHBondContact O-CG1 3.46Å; M86-I90 PolarHBondContact O-N 2.89Å
87A91.5Very high90.8Very high46 Ų4689 Ų8938%0.3849%0.493SS..Hα-helixtrans-59.2-48178.300000111.5I83 F84 I90 I91I83-A87 WeakPolarHBondContact O-CB 3.33Å; I83-A87 PolarHBondContact O-N 3.24Å; F84-A87 PolarHBondContact O-N 3.39Å; A87-I90 PolarHBondContact O-N 3.3Å; A87-I91 WeakPolarHBondContact O-CB 3.05Å; A87-I91 WeakPolarHBondContact O-CD1 3.21Å; A87-I91 WeakPolarHBondContact O-CG1 3.33Å; A87-I91 PolarHBondContact O-N 3.18Å
88A88.4Confident90.2Very high44 Ų4494.5 Ų94.536%0.36450%0.504SS..Hα-helixtrans-62-43.7176.500000112F84 M86 I91 A92F84-A88 VanDerWaalsContact O-CB 3.26Å; F84-A88 WeakPolarHBondContact O-CB 3.29Å; F84-A88 PolarHBondContact O-N 2.87Å; M86-A88 PolarHBondContact O-N 3Å; A88-I91 PolarHBondContact O-N 3.37Å; A88-A92 WeakPolarHBondContact O-CB 3.46Å; A88-A92 PolarHBondContact O-N 3.22Å
89G88.2Confident89.7Confident41 Ų4197.5 Ų97.542%0.42351%0.509SS..Hα-helixtrans-63.3-42.5177.800000113.2G85 M86 A92 A93G85-G89 PolarHBondContact O-N 3.24Å; M86-G89 PolarHBondContact O-N 3.42Å; G89-A92 PolarHBondContact O-N 3.43Å; G89-A93 WeakPolarHBondContact O-CB 3.26Å; G89-A93 PolarHBondContact O-N 3.15Å
90I91.8Very high88.9Confident101 Ų10195.3 Ų95.352%0.51850%0.496SS..Hα-helixtrans-64.4-45.8176-67.8164.3000110.3M86 A87 A92 A93 V94M86-I90 WeakPolarHBondContact O-CB 3.45Å; M86-I90 WeakPolarHBondContact O-CD1 3.46Å; M86-I90 WeakPolarHBondContact O-CG1 3.46Å; M86-I90 PolarHBondContact O-N 2.89Å; A87-I90 PolarHBondContact O-N 3.3Å; I90-A92 PolarHBondContact O-N 2.77Å; I90-A93 PolarHBondContact O-N 3.27Å; I90-V94 HydrophobicContact CG2-CG2 4.43Å; I90-V94 WeakPolarHBondContact O-CG2 3.45Å; I90-V94 PolarHBondContact O-N 2.48Å
91I89Confident88.1Confident79 Ų7990.6 Ų90.641%0.40548%0.482SS..Hα-helixtrans-59.7-45.7177.8-74169.6000111.2A87 A88 A93 V94 W95 P100A87-I91 WeakPolarHBondContact O-CB 3.05Å; A87-I91 WeakPolarHBondContact O-CD1 3.21Å; A87-I91 WeakPolarHBondContact O-CG1 3.33Å; A87-I91 PolarHBondContact O-N 3.18Å; A88-I91 PolarHBondContact O-N 3.37Å; I91-A93 VanDerWaalsContact C-N 3.34Å; I91-A93 PolarHBondContact O-N 2.86Å; I91-V94 PolarHBondContact O-N 2.84Å; I91-W95 HydrophobicContact CG2-CE3 3.49Å; I91-W95 VanDerWaalsContact CG2-CE3 3.49Å; I91-W95 HydrophobicContact CG2-CZ3 3.48Å; I91-W95 VanDerWaalsContact CG2-CZ3 3.48Å; I91-W95 PolarHBondContact O-N 3.32Å; I91-W95 VanDerWaalsContact O-N 3.09Å; I91-P100 HydrophobicContact CG2-CB 4.08Å
92A85.6Confident87.7Confident11 Ų1194.7 Ų94.79%0.09148%0.483CS..Hα-helixtrans-63.7-38.9176.600000112A88 G89 I90 W95 R96 D101A88-A92 WeakPolarHBondContact O-CB 3.46Å; A88-A92 PolarHBondContact O-N 3.22Å; G89-A92 PolarHBondContact O-N 3.43Å; I90-A92 PolarHBondContact O-N 2.77Å; A92-W95 CarbonylContact O-C 3.47Å; A92-W95 VanDerWaalsContact O-C 3.25Å; A92-W95 PolarHBondContact O-N 3.02Å; A92-R96 WeakPolarHBondContact O-CA 3.24Å; A92-R96 PolarHBondContact O-N 3.33Å; A92-R96 VanDerWaalsContact O-N 3.08Å; A92-D101 HydrophobicContact CB-CB 4.33Å
93A85.2Confident87.2Confident68 Ų6894.3 Ų94.356%0.56248%0.478SS*.Hα-helixtrans-67.4-41.6178.200000112.9G89 I90 I91 W95G89-A93 WeakPolarHBondContact O-CB 3.26Å; G89-A93 PolarHBondContact O-N 3.15Å; I90-A93 PolarHBondContact O-N 3.27Å; I91-A93 VanDerWaalsContact C-N 3.34Å; I91-A93 PolarHBondContact O-N 2.86Å; A93-W95 VanDerWaalsContact C-N 3.34Å
94V90.4Very high86.5Confident106 Ų10691.8 Ų91.864%0.64247%0.469SS*.Hα-helixtrans-66.3-37.2176.8172.50000111.2I90 I91I90-V94 HydrophobicContact CG2-CG2 4.43Å; I90-V94 WeakPolarHBondContact O-CG2 3.45Å; I90-V94 PolarHBondContact O-N 2.48Å; I91-V94 PolarHBondContact O-N 2.84Å
95W85.5Confident86Confident136 Ų13691.6 Ų91.652%0.51547%0.471SS..THydrogen-bonded Turntrans-109.146.3179.1-62-40.7000112.8I91 A92 A93 N97 R98 P100I91-W95 HydrophobicContact CG2-CE3 3.49Å; I91-W95 VanDerWaalsContact CG2-CE3 3.49Å; I91-W95 HydrophobicContact CG2-CZ3 3.48Å; I91-W95 VanDerWaalsContact CG2-CZ3 3.48Å; I91-W95 PolarHBondContact O-N 3.32Å; I91-W95 VanDerWaalsContact O-N 3.09Å; A92-W95 CarbonylContact O-C 3.47Å; A92-W95 VanDerWaalsContact O-C 3.25Å; A92-W95 PolarHBondContact O-N 3.02Å; A93-W95 VanDerWaalsContact C-N 3.34Å; W95-N97 PolarHBondContact O-N 3.34Å; W95-R98 HydrophobicContact CB-CB 4.13Å; W95-R98 HydrophobicContact CB-CG 4.33Å; W95-R98 VanDerWaalsContact O-CB 3.23Å; W95-R98 WeakPolarHBondContact O-CB 3.46Å; W95-R98 PolarHBondContact O-N 3.21Å; W95-P100 HydrophobicContact CB-CB 4.46Å; W95-P100 HydrophobicContact CB-CG 4.23Å; W95-P100 HydrophobicContact CD2-CG 4.14Å; W95-P100 HydrophobicContact CE3-CB 3.71Å; W95-P100 HydrophobicContact CE3-CG 3.45Å; W95-P100 VanDerWaalsContact CE3-CG 3.45Å; W95-P100 HydrophobicContact CG-CG 4.49Å; W95-P100 HydrophobicContact CZ3-CB 4.39Å; W95-P100 HydrophobicContact CZ3-CG 4.1Å
96R78.9Confident85.8Confident202 Ų20293.6 Ų93.676%0.76248%0.475SS*.THydrogen-bonded Turntrans-52.5133.6-178.4-166.8175.679.1-124.56.6112.2A92 R98A92-R96 WeakPolarHBondContact O-CA 3.24Å; A92-R96 PolarHBondContact O-N 3.33Å; A92-R96 VanDerWaalsContact O-N 3.08Å; R96-R98 PolarHBondContact O-N 2.96Å
97N75.6Confident85.4Confident111 Ų11193.3 Ų93.359%0.59447%0.474SS*.THydrogen-bonded Turntrans58.821.1-178.8-159.921.3000114.7W95 D101 R102W95-N97 PolarHBondContact O-N 3.34Å; N97-D101 WeakPolarHBondContact CA-OD2 3.36Å; N97-D101 PolarHBondContact N-OD2 3.36Å; N97-R102 PolarHBondContact OD1-NH2 3.42Å; N97-R102 VanDerWaalsContact OD1-NH2 3.11Å
98R82.4Confident85.1Confident176 Ų17693.6 Ų93.666%0.66448%0.476SS*.SBendtrans-104.5178.6170.6-55.8-104.4179.5142.4-1.5109.3W95 R96 P100 D101 R102W95-R98 HydrophobicContact CB-CB 4.13Å; W95-R98 HydrophobicContact CB-CG 4.33Å; W95-R98 VanDerWaalsContact O-CB 3.23Å; W95-R98 WeakPolarHBondContact O-CB 3.46Å; W95-R98 PolarHBondContact O-N 3.21Å; R96-R98 PolarHBondContact O-N 2.96Å; R98-P100 VanDerWaalsContact C-CD 3.45Å; R98-D101 WeakPolarHBondContact O-CB 3.33Å; R98-D101 PolarHBondContact O-N 3.2Å; R98-R102 PolarHBondContact O-N 3.23Å
99W86.6Confident85Confident187 Ų18795.4 Ų95.471%0.70848%0.483SS*.Hα-helixtrans-55.9-39.5-177.9-17872.3000115.1D101 R102 L103W99-D101 VanDerWaalsContact C-N 3.34Å; W99-D101 PolarHBondContact O-N 2.83Å; W99-R102 PolarHBondContact O-N 2.9Å; W99-L103 HydrophobicContact CH2-CD2 3.81Å; W99-L103 HydrophobicContact CZ2-CD2 3.91Å; W99-L103 HydrophobicContact CZ3-CD2 4.25Å; W99-L103 WeakPolarHBondContact O-CB 3.18Å; W99-L103 PolarHBondContact O-N 3.37Å
100P81.9Confident84.9Confident32 Ų3295.8 Ų95.821%0.20848%0.479CS..Hα-helixtrans-61.1-39.2178.7-26.237.3000113.8I91 W95 R98 L103 S104I91-P100 HydrophobicContact CG2-CB 4.08Å; W95-P100 HydrophobicContact CB-CB 4.46Å; W95-P100 HydrophobicContact CB-CG 4.23Å; W95-P100 HydrophobicContact CD2-CG 4.14Å; W95-P100 HydrophobicContact CE3-CB 3.71Å; W95-P100 HydrophobicContact CE3-CG 3.45Å; W95-P100 VanDerWaalsContact CE3-CG 3.45Å; W95-P100 HydrophobicContact CG-CG 4.49Å; W95-P100 HydrophobicContact CZ3-CB 4.39Å; W95-P100 HydrophobicContact CZ3-CG 4.1Å; R98-P100 VanDerWaalsContact C-CD 3.45Å; P100-L103 PolarHBondContact O-N 3.29Å; P100-S104 WeakPolarHBondContact O-CB 3.44Å; P100-S104 PolarHBondContact O-N 3.47Å; P100-S104 PolarHBondContact O-OG 2.93Å
101D82.1Confident84.4Confident42 Ų4293.7 Ų93.723%0.22548%0.482CS..Hα-helixtrans-61.3-53.1175.718021.6000110.8A92 N97 R98 W99 L103 S104 M105A92-D101 HydrophobicContact CB-CB 4.33Å; N97-D101 WeakPolarHBondContact CA-OD2 3.36Å; N97-D101 PolarHBondContact N-OD2 3.36Å; R98-D101 WeakPolarHBondContact O-CB 3.33Å; R98-D101 PolarHBondContact O-N 3.2Å; W99-D101 VanDerWaalsContact C-N 3.34Å; W99-D101 PolarHBondContact O-N 2.83Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-L103 PolarHBondContact O-N 3.15Å; D101-S104 PolarHBondContact O-N 3.47Å; D101-S104 PolarHBondContact O-OG 2.88Å; D101-M105 PolarHBondContact O-N 3.36Å
102R84.2Confident84.1Confident148 Ų14896.9 Ų96.956%0.55850%0.499SS*.Hα-helixtrans-61.2-39.2177.9-63.7-176.7-170.4147.17.8113N97 R98 W99 M105 T106N97-R102 PolarHBondContact OD1-NH2 3.42Å; N97-R102 VanDerWaalsContact OD1-NH2 3.11Å; R98-R102 PolarHBondContact O-N 3.23Å; W99-R102 PolarHBondContact O-N 2.9Å; R102-M105 PolarHBondContact O-N 2.98Å; R102-T106 PolarHBondContact O-N 2.98Å; R102-T106 PolarHBondContact O-OG1 3.29Å; R102-T106 VanDerWaalsContact O-OG1 3.04Å
103L87Confident84Confident69 Ų69100.5 Ų100.536%0.36152%0.523SS..Hα-helixtrans-65.2-45.8177.4-176.866000111.2W99 P100 D101 M105 T106 I107W99-L103 HydrophobicContact CH2-CD2 3.81Å; W99-L103 HydrophobicContact CZ2-CD2 3.91Å; W99-L103 HydrophobicContact CZ3-CD2 4.25Å; W99-L103 WeakPolarHBondContact O-CB 3.18Å; W99-L103 PolarHBondContact O-N 3.37Å; P100-L103 PolarHBondContact O-N 3.29Å; D101-L103 VanDerWaalsContact C-N 3.33Å; D101-L103 PolarHBondContact O-N 3.15Å; L103-M105 VanDerWaalsContact C-N 3.28Å; L103-M105 PolarHBondContact O-N 3.44Å; L103-T106 PolarHBondContact O-N 3.02Å; L103-I107 HydrophobicContact CD1-CD1 4.32Å; L103-I107 HydrophobicContact CG-CD1 4.05Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 3.48Å
104S82.7Confident83.7Confident37 Ų37103.1 Ų103.126%0.25952%0.522SS..Hα-helixtrans-59.7-40.817874.70000111.8P100 D101 I107 A108P100-S104 WeakPolarHBondContact O-CB 3.44Å; P100-S104 PolarHBondContact O-N 3.47Å; P100-S104 PolarHBondContact O-OG 2.93Å; D101-S104 PolarHBondContact O-N 3.47Å; D101-S104 PolarHBondContact O-OG 2.88Å; S104-I107 PolarHBondContact O-N 3.49Å; S104-A108 WeakPolarHBondContact O-CB 3.36Å; S104-A108 PolarHBondContact O-N 3.19Å
105M84.4Confident83Confident127 Ų127100.8 Ų100.863%0.62651%0.509SS*.Hα-helixtrans-66.4-43.8177.7-167.5169.8174.400111.9D101 R102 L103 I107 A108 V109D101-M105 PolarHBondContact O-N 3.36Å; R102-M105 PolarHBondContact O-N 2.98Å; L103-M105 VanDerWaalsContact C-N 3.28Å; L103-M105 PolarHBondContact O-N 3.44Å; M105-I107 PolarHBondContact O-N 2.89Å; M105-A108 PolarHBondContact O-N 3.07Å; M105-V109 WeakPolarHBondContact O-CB 3.49Å; M105-V109 WeakPolarHBondContact O-CG2 3.44Å; M105-V109 PolarHBondContact O-N 2.64Å
106T86Confident82.5Confident87 Ų8797.2 Ų97.253%0.53451%0.509SS..Hα-helixtrans-61.4-43.6175.8-60.40000111.9R102 L103 S110R102-T106 PolarHBondContact O-N 2.98Å; R102-T106 PolarHBondContact O-OG1 3.29Å; R102-T106 VanDerWaalsContact O-OG1 3.04Å; L103-T106 PolarHBondContact O-N 3.02Å; T106-S110 VanDerWaalsContact O-CB 3.29Å; T106-S110 WeakPolarHBondContact O-CB 3.33Å; T106-S110 PolarHBondContact O-N 3.01Å; T106-S110 PolarHBondContact O-OG 2.93Å
107I86.5Confident82.4Confident110 Ų11095.1 Ų95.156%0.56451%0.505SS*.Hα-helixtrans-63.5-46.1177-68.3170.5000110.4L103 S104 M105 S110 G111L103-I107 HydrophobicContact CD1-CD1 4.32Å; L103-I107 HydrophobicContact CG-CD1 4.05Å; L103-I107 WeakPolarHBondContact O-CG1 3.43Å; L103-I107 PolarHBondContact O-N 3.48Å; S104-I107 PolarHBondContact O-N 3.49Å; M105-I107 PolarHBondContact O-N 2.89Å; I107-S110 PolarHBondContact O-N 3.3Å; I107-G111 PolarHBondContact O-N 3.45Å
108A85.1Confident82.2Confident51 Ų5192.5 Ų92.542%0.42150%0.499SS..Hα-helixtrans-61.8-48.5179.800000112.1S104 M105 S110 G111 I112S104-A108 WeakPolarHBondContact O-CB 3.36Å; S104-A108 PolarHBondContact O-N 3.19Å; M105-A108 PolarHBondContact O-N 3.07Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 3.28Å; A108-G111 PolarHBondContact O-N 3.24Å; A108-I112 WeakPolarHBondContact O-CD1 3.31Å; A108-I112 VanDerWaalsContact O-CG1 3.3Å; A108-I112 WeakPolarHBondContact O-CG1 3.44Å; A108-I112 PolarHBondContact O-N 3.39Å; A108-I112 VanDerWaalsContact O-N 3.08Å
109V86Confident81.4Confident82 Ų8290.2 Ų90.250%0.49750%0.499SS..Hα-helixtrans-62.3-42.8177.8173.70000110.8M105 I112 S113M105-V109 WeakPolarHBondContact O-CB 3.49Å; M105-V109 WeakPolarHBondContact O-CG2 3.44Å; M105-V109 PolarHBondContact O-N 2.64Å; V109-I112 PolarHBondContact O-N 3.34Å; V109-S113 VanDerWaalsContact O-CB 3.25Å; V109-S113 WeakPolarHBondContact O-CB 3.11Å; V109-S113 PolarHBondContact O-N 2.62Å; V109-S113 PolarHBondContact O-OG 3.01Å
110S85.8Confident80.4Confident50 Ų5084.8 Ų84.835%0.3550%0.501SS..Hα-helixtrans-61.1-51.3177.6-57.60000110.5T106 I107 A108 I112 S113 F114T106-S110 VanDerWaalsContact O-CB 3.29Å; T106-S110 WeakPolarHBondContact O-CB 3.33Å; T106-S110 PolarHBondContact O-N 3.01Å; T106-S110 PolarHBondContact O-OG 2.93Å; I107-S110 PolarHBondContact O-N 3.3Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 3.28Å; S110-I112 VanDerWaalsContact C-N 3.32Å; S110-I112 PolarHBondContact O-N 2.95Å; S110-S113 PolarHBondContact O-N 3.48Å; S110-F114 VanDerWaalsContact O-CD2 3.26Å; S110-F114 WeakPolarHBondContact O-CD2 3.44Å; S110-F114 PolarHBondContact O-N 3.47Å
111G82.4Confident79.2Confident56 Ų5692.7 Ų92.758%0.57754%0.538SS*.Hα-helixtrans-59-38.4-178.500000114I107 A108I107-G111 PolarHBondContact O-N 3.45Å; A108-G111 PolarHBondContact O-N 3.24Å
112I81.2Confident79.1Confident147 Ų14795.2 Ų95.275%0.75455%0.553SS**Hα-helixtrans-73.8-31.4176.9-62.7164.3000111.6A108 V109 S110A108-I112 WeakPolarHBondContact O-CD1 3.31Å; A108-I112 VanDerWaalsContact O-CG1 3.3Å; A108-I112 WeakPolarHBondContact O-CG1 3.44Å; A108-I112 PolarHBondContact O-N 3.39Å; A108-I112 VanDerWaalsContact O-N 3.08Å; V109-I112 PolarHBondContact O-N 3.34Å; S110-I112 VanDerWaalsContact C-N 3.32Å; S110-I112 PolarHBondContact O-N 2.95Å
113S83.6Confident78.8Confident86 Ų8692.4 Ų92.460%0.60155%0.553SS**Hα-helixtrans-83.2-21.1-177.1-55.90000113.3V109 S110 P115V109-S113 VanDerWaalsContact O-CB 3.25Å; V109-S113 WeakPolarHBondContact O-CB 3.11Å; V109-S113 PolarHBondContact O-N 2.62Å; V109-S113 PolarHBondContact O-OG 3.01Å; S110-S113 PolarHBondContact O-N 3.48Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å
114F79.4Confident78.4Confident124 Ų12493.7 Ų93.754%0.54456%0.564SS.*SBendtrans-74.1119.2177.7-95.1-82.7000110.3S110S110-F114 VanDerWaalsContact O-CD2 3.26Å; S110-F114 WeakPolarHBondContact O-CD2 3.44Å; S110-F114 PolarHBondContact O-N 3.47Å
115P75.6Confident78.1Confident57 Ų5797.1 Ų97.137%0.3758%0.582SS.*  trans-70.7141.5177.829.1-32.9000110.3S113 F117 A118S113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-F117 HydrophobicContact CB-CD1 3.69Å; P115-F117 HydrophobicContact CB-CE1 3.39Å; P115-F117 HydrophobicContact CB-CZ 4.19Å; P115-F117 HydrophobicContact CG-CD1 4.11Å; P115-F117 HydrophobicContact CG-CE1 3.5Å; P115-F117 VanDerWaalsContact CG-CE1 3.5Å; P115-F117 HydrophobicContact CG-CZ 3.76Å; P115-F117 PolarHBondContact O-N 3.03Å; P115-F117 VanDerWaalsContact O-N 3.13Å; P115-A118 HydrophobicContact CG-CB 3.97Å; P115-A118 WeakPolarHBondContact O-CB 3.46Å; P115-A118 PolarHBondContact O-N 2.93Å
116A75.7Confident77.7Confident61 Ų6195.2 Ų95.250%0.50458%0.579SS.*G310 helixtrans-54.9-37.1-172.800000113.8A118 L119A116-A118 VanDerWaalsContact C-N 3.27Å; A116-A118 PolarHBondContact O-N 3.11Å; A116-L119 PolarHBondContact O-N 3.25Å
117F77.2Confident77.2Confident158 Ų15895.7 Ų95.769%0.69358%0.582SS**G310 helixtrans-64.7-29.8179.475-97000113.1P115 L119 G120P115-F117 HydrophobicContact CB-CD1 3.69Å; P115-F117 HydrophobicContact CB-CE1 3.39Å; P115-F117 HydrophobicContact CB-CZ 4.19Å; P115-F117 HydrophobicContact CG-CD1 4.11Å; P115-F117 HydrophobicContact CG-CE1 3.5Å; P115-F117 VanDerWaalsContact CG-CE1 3.5Å; P115-F117 HydrophobicContact CG-CZ 3.76Å; P115-F117 PolarHBondContact O-N 3.03Å; P115-F117 VanDerWaalsContact O-N 3.13Å; F117-L119 PolarHBondContact O-N 3.26Å; F117-G120 PolarHBondContact O-N 3.5Å; F117-G120 VanDerWaalsContact O-N 3.11Å
118A71.1Confident76.5Confident56 Ų5694.7 Ų94.746%0.46358%0.583SS.*G310 helixtrans-69.5-20.9-178.500000112P115 A116 G120P115-A118 HydrophobicContact CG-CB 3.97Å; P115-A118 WeakPolarHBondContact O-CB 3.46Å; P115-A118 PolarHBondContact O-N 2.93Å; A116-A118 VanDerWaalsContact C-N 3.27Å; A116-A118 PolarHBondContact O-N 3.11Å; A118-G120 VanDerWaalsContact C-N 3.26Å
119L64.9Low75.8Confident127 Ų12798.1 Ų98.167%0.66560%0.596SS**G310 helixtrans-83.81.3175.5-68.5166.6000113A116 F117A116-L119 PolarHBondContact O-N 3.25Å; F117-L119 PolarHBondContact O-N 3.26Å
120G65.7Low75Confident73 Ų7399.4 Ų99.475%0.75360%0.604SS**THydrogen-bonded Turntrans78.221178.500000114.8F117 A118F117-G120 PolarHBondContact O-N 3.5Å; F117-G120 VanDerWaalsContact O-N 3.11Å; A118-G120 VanDerWaalsContact C-N 3.26Å
121M57.1Low74Confident198 Ų198103.9 Ų103.998%0.97563%0.627SS**  trans-92.60166.7-60.1-147.2-56.500110.8

Retrieved 121 of 121 residues in 69 ms (Link to these results)

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