A0A077ZQQ2_TRITR Loading...

Na+ driven multidrug efflux pump

AlphaFold DB , UniProt , Accession A0A077ZQQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 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
1M51.8Low65.6Low229 Ų229146.5 Ų146.5100%1.12875%0.754SS**  0115.60-81175.7161.800109K3M1-K3 PolarHBondContact O-N 3.33Å
2P48.7Very low67.3Low125 Ų125151.9 Ų151.981%0.81276%0.758SS**  trans-68.8120.9165.36.17.3000107.9T4P2-T4 PolarHBondContact O-N 3.04Å
3K55.8Low68.9Low206 Ų206152.5 Ų152.590%0.89675%0.753SS**  trans-68.598171.5-71.7-178.3176.6178.30107.5M1 R5M1-K3 PolarHBondContact O-N 3.33Å; K3-R5 PolarHBondContact O-N 3.01Å
4T66.9Low70.4Confident119 Ų119145.8 Ų145.873%0.7372%0.719SS**  trans-62.8110.9165.246.40000106.6P2 H6P2-T4 PolarHBondContact O-N 3.04Å; T4-H6 PolarHBondContact O-N 2.99Å
5R62.8Low71.7Confident223 Ų223145.7 Ų145.784%0.84271%0.713SS**  trans-58.4110.9168.3-171.3179.6-170.7174.53.4105.3K3 V7K3-R5 PolarHBondContact O-N 3.01Å; R5-V7 HydrophobicContact CB-CG2 4.35Å; R5-V7 HydrophobicContact CG-CG2 3.84Å; R5-V7 PolarHBondContact O-N 3.28Å
6H61.6Low72.9Confident175 Ų175138.8 Ų138.881%0.8169%0.686SS**  trans-64.171.9160.1-85.6-84.2000106.9T4 T8T4-H6 PolarHBondContact O-N 2.99Å; H6-T8 PolarHBondContact O-N 3.16Å
7V68.7Low74Confident92 Ų92140.7 Ų140.756%0.55868%0.684SS**  trans-59.9107148.8-179.50000101.5R5 P9R5-V7 HydrophobicContact CB-CG2 4.35Å; R5-V7 HydrophobicContact CG-CG2 3.84Å; R5-V7 PolarHBondContact O-N 3.28Å; V7-P9 VanDerWaalsContact C-N 3.25Å; V7-P9 WeakPolarHBondContact O-CD 3.29Å; V7-P9 WeakPolarHBondContact O-CG 3.37Å
8T66Low74.9Confident126 Ų126140.4 Ų140.477%0.77368%0.679SS**  trans-53.9101166.411.90000104.5H6 N10H6-T8 PolarHBondContact O-N 3.16Å; T8-N10 PolarHBondContact O-N 3.13Å
9P70.3Confident75.8Confident75 Ų75134.3 Ų134.349%0.48765%0.653SS.*  trans-61.6142.5-179.5-1228.8000104.5V7 I11 E14V7-P9 VanDerWaalsContact C-N 3.25Å; V7-P9 WeakPolarHBondContact O-CD 3.29Å; V7-P9 WeakPolarHBondContact O-CG 3.37Å; P9-I11 PolarHBondContact O-N 2.94Å; P9-E14 HydrophobicContact CB-CB 4.49Å
10N83.3Confident76.7Confident106 Ų106132.7 Ų132.757%0.56765%0.647SS**  trans-55.3107.4174.4-176.3-36.4000107.3T8 R12 K13 E14T8-N10 PolarHBondContact O-N 3.13Å; N10-R12 PolarHBondContact O-N 3.32Å; N10-R12 VanDerWaalsContact O-N 3.1Å; N10-R12 WeakPolarHBondContact OD1-CB 3.09Å; N10-R12 PolarHBondContact OD1-N 3.02Å; N10-K13 HydrophobicContact CB-CB 3.99Å; N10-K13 WeakPolarHBondContact O-CA 3.5Å; N10-K13 WeakPolarHBondContact O-CB 3.46Å; N10-K13 PolarHBondContact O-N 3.37Å; N10-E14 PolarHBondContact O-N 3.05Å
11I86Confident77.4Confident136 Ų136130 Ų13070%0.69764%0.64SS**Hα-helixtrans-55.5-36.3-170.3-66.2168.1000109.8P9 E14 F15P9-I11 PolarHBondContact O-N 2.94Å; I11-E14 PolarHBondContact O-N 2.76Å; I11-F15 WeakPolarHBondContact O-CB 3.41Å; I11-F15 PolarHBondContact O-N 3.17Å
12R85.7Confident79.3Confident211 Ų211121.7 Ų121.780%0.79661%0.608SS**Hα-helixtrans-65-39.4176.9-62.3178.5174.7-89.20.3112.1N10 A16N10-R12 PolarHBondContact O-N 3.32Å; N10-R12 VanDerWaalsContact O-N 3.1Å; N10-R12 WeakPolarHBondContact OD1-CB 3.09Å; N10-R12 PolarHBondContact OD1-N 3.02Å; R12-A16 WeakPolarHBondContact O-CB 3.45Å; R12-A16 PolarHBondContact O-N 3.36Å
13K88.8Confident81.5Confident159 Ų159119.8 Ų119.869%0.69159%0.594SS**Hα-helixtrans-68.8-44.9177.2-174.4-179.9177.7-179.90111.3N10 A16 R17N10-K13 HydrophobicContact CB-CB 3.99Å; N10-K13 WeakPolarHBondContact O-CA 3.5Å; N10-K13 WeakPolarHBondContact O-CB 3.46Å; N10-K13 PolarHBondContact O-N 3.37Å; K13-A16 PolarHBondContact O-N 2.71Å; K13-R17 WeakPolarHBondContact O-CB 3.33Å; K13-R17 PolarHBondContact O-N 3.43Å
14E89.1Confident83.4Confident59 Ų59114.7 Ų114.728%0.27658%0.575SS.*Hα-helixtrans-70.6-41.4-179.7-159.362-157.900111.4P9 N10 I11 A16 R17 F18P9-E14 HydrophobicContact CB-CB 4.49Å; N10-E14 PolarHBondContact O-N 3.05Å; I11-E14 PolarHBondContact O-N 2.76Å; E14-A16 PolarHBondContact O-N 3.25Å; E14-R17 WeakPolarHBondContact O-CB 2.88Å; E14-R17 PolarHBondContact O-N 3.29Å; E14-R17 VanDerWaalsContact O-N 3.17Å; E14-R17 IonicContact OE1-NH1 3.57Å; E14-F18 HydrophobicContact CG-CD2 4.09Å; E14-F18 HydrophobicContact CG-CE2 3.78Å; E14-F18 VanDerWaalsContact O-CD2 3.28Å; E14-F18 WeakPolarHBondContact O-CD2 3.41Å; E14-F18 PolarHBondContact O-N 2.95Å; E14-F18 VanDerWaalsContact O-N 3.13Å; E14-F18 WeakPolarHBondContact OE1-CE2 3.35Å
15F90.6Very high84.6Confident145 Ų145111 Ų11164%0.63656%0.56SS**Hα-helixtrans-57.7-49.2171.2-178.6-94.9000110.8I11 R17 F18 A19I11-F15 WeakPolarHBondContact O-CB 3.41Å; I11-F15 PolarHBondContact O-N 3.17Å; F15-R17 VanDerWaalsContact C-N 3.27Å; F15-R17 PolarHBondContact O-N 3.01Å; F15-F18 PolarHBondContact O-N 3.12Å; F15-A19 HydrophobicContact CD1-CB 3.92Å; F15-A19 HydrophobicContact CE1-CB 3.61Å; F15-A19 HydrophobicContact CE2-CB 4.27Å; F15-A19 HydrophobicContact CG-CB 4.38Å; F15-A19 HydrophobicContact CZ-CB 3.8Å; F15-A19 WeakPolarHBondContact O-CA 3.27Å; F15-A19 WeakPolarHBondContact O-CB 3.32Å; F15-A19 PolarHBondContact O-N 2.91Å
16A90.7Very high86Confident34 Ų34106.6 Ų106.628%0.28155%0.551SS.*Hα-helixtrans-59.9-37.9176.500000112.3R12 K13 E14 F18 I20R12-A16 WeakPolarHBondContact O-CB 3.45Å; R12-A16 PolarHBondContact O-N 3.36Å; K13-A16 PolarHBondContact O-N 2.71Å; E14-A16 PolarHBondContact O-N 3.25Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; A16-I20 HydrophobicContact CB-CD1 4.02Å; A16-I20 VanDerWaalsContact O-CB 3.26Å; A16-I20 WeakPolarHBondContact O-CB 3.28Å; A16-I20 WeakPolarHBondContact O-CD1 3.36Å; A16-I20 WeakPolarHBondContact O-CG1 3.41Å; A16-I20 PolarHBondContact O-N 3.36Å
17R91Very high87.6Confident172 Ų172102 Ų10265%0.64954%0.535SS*.Hα-helixtrans-62.1-33.5177.9-171.2-177.1-176.1-167.90.6113.2K13 E14 F15 P21K13-R17 WeakPolarHBondContact O-CB 3.33Å; K13-R17 PolarHBondContact O-N 3.43Å; E14-R17 WeakPolarHBondContact O-CB 2.88Å; E14-R17 PolarHBondContact O-N 3.29Å; E14-R17 VanDerWaalsContact O-N 3.17Å; E14-R17 IonicContact OE1-NH1 3.57Å; F15-R17 VanDerWaalsContact C-N 3.27Å; F15-R17 PolarHBondContact O-N 3.01Å; R17-P21 WeakPolarHBondContact O-CD 3.32Å; R17-P21 VanDerWaalsContact O-CG 3.26Å; R17-P21 WeakPolarHBondContact O-CG 3.42Å
18F89.7Confident88.7Confident136 Ų136101.9 Ų101.960%0.59654%0.535SS*.Hα-helixtrans-94.8-40.3176.9-70.4-65.6000113.3E14 F15 A16 P21 A22E14-F18 HydrophobicContact CG-CD2 4.09Å; E14-F18 HydrophobicContact CG-CE2 3.78Å; E14-F18 VanDerWaalsContact O-CD2 3.28Å; E14-F18 WeakPolarHBondContact O-CD2 3.41Å; E14-F18 PolarHBondContact O-N 2.95Å; E14-F18 VanDerWaalsContact O-N 3.13Å; E14-F18 WeakPolarHBondContact OE1-CE2 3.35Å; F15-F18 PolarHBondContact O-N 3.12Å; A16-F18 VanDerWaalsContact C-N 3.3Å; A16-F18 PolarHBondContact O-N 2.9Å; F18-P21 WeakPolarHBondContact O-CD 3.12Å; F18-A22 VanDerWaalsContact O-CB 3.27Å; F18-A22 WeakPolarHBondContact O-CB 3.29Å; F18-A22 PolarHBondContact O-N 2.87Å; F18-A22 VanDerWaalsContact O-N 3.1Å
19A92.7Very high89.7Confident23 Ų2398.3 Ų98.319%0.1952%0.515CS..Hα-helixtrans-70.1-39.8-176.100000112.2F15 A22 V23F15-A19 HydrophobicContact CD1-CB 3.92Å; F15-A19 HydrophobicContact CE1-CB 3.61Å; F15-A19 HydrophobicContact CE2-CB 4.27Å; F15-A19 HydrophobicContact CG-CB 4.38Å; F15-A19 HydrophobicContact CZ-CB 3.8Å; F15-A19 WeakPolarHBondContact O-CA 3.27Å; F15-A19 WeakPolarHBondContact O-CB 3.32Å; F15-A19 PolarHBondContact O-N 2.91Å; A19-A22 PolarHBondContact O-N 3.05Å; A19-V23 WeakPolarHBondContact O-CB 3.1Å; A19-V23 WeakPolarHBondContact O-CG2 3.29Å; A19-V23 PolarHBondContact O-N 2.85Å
20I93.8Very high90.8Very high102 Ų10297.9 Ų97.952%0.52351%0.514SS..Hα-helixtrans-62.4-53.1180-66.1168000110.5A16 A22 V23 I24A16-I20 HydrophobicContact CB-CD1 4.02Å; A16-I20 VanDerWaalsContact O-CB 3.26Å; A16-I20 WeakPolarHBondContact O-CB 3.28Å; A16-I20 WeakPolarHBondContact O-CD1 3.36Å; A16-I20 WeakPolarHBondContact O-CG1 3.41Å; A16-I20 PolarHBondContact O-N 3.36Å; I20-A22 VanDerWaalsContact C-N 3.3Å; I20-A22 PolarHBondContact O-N 2.91Å; I20-V23 PolarHBondContact O-N 2.84Å; I20-I24 HydrophobicContact CG2-CD1 3.76Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.38Å; I20-I24 PolarHBondContact O-N 3.45Å
21P92.2Very high91.1Very high76 Ų7697.6 Ų97.649%0.49451%0.511SS..Hα-helixtrans-59.4-38.2174.4-25.435.8000113.4R17 F18 I24 G25R17-P21 WeakPolarHBondContact O-CD 3.32Å; R17-P21 VanDerWaalsContact O-CG 3.26Å; R17-P21 WeakPolarHBondContact O-CG 3.42Å; F18-P21 WeakPolarHBondContact O-CD 3.12Å; P21-I24 PolarHBondContact O-N 3.3Å; P21-G25 PolarHBondContact O-N 2.72Å
22A90.9Very high91.1Very high55 Ų5593.6 Ų93.646%0.45549%0.488SS..Hα-helixtrans-63.5-46.117800000112.1F18 A19 I20 G25 M26F18-A22 VanDerWaalsContact O-CB 3.27Å; F18-A22 WeakPolarHBondContact O-CB 3.29Å; F18-A22 PolarHBondContact O-N 2.87Å; F18-A22 VanDerWaalsContact O-N 3.1Å; A19-A22 PolarHBondContact O-N 3.05Å; I20-A22 VanDerWaalsContact C-N 3.3Å; I20-A22 PolarHBondContact O-N 2.91Å; A22-G25 PolarHBondContact O-N 2.92Å; A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.43Å; A22-M26 PolarHBondContact O-N 3.46Å
23V95Very high91.1Very high86 Ų8687.7 Ų87.752%0.52147%0.472SS..Hα-helixtrans-63.1-44.9177.51720000110.5A19 I20 G25 M26 V27A19-V23 WeakPolarHBondContact O-CB 3.1Å; A19-V23 WeakPolarHBondContact O-CG2 3.29Å; A19-V23 PolarHBondContact O-N 2.85Å; I20-V23 PolarHBondContact O-N 2.84Å; V23-G25 VanDerWaalsContact C-N 3.31Å; V23-G25 PolarHBondContact O-N 3.42Å; V23-M26 PolarHBondContact O-N 2.81Å; V23-V27 HydrophobicContact CG1-CG2 4.49Å; V23-V27 WeakPolarHBondContact O-CG2 3.07Å; V23-V27 PolarHBondContact O-N 3.37Å
24I95Very high91.1Very high98 Ų9885 Ų8550%0.50346%0.464SS..Hα-helixtrans-58.7-45.9174.9-66.6166.9000110I20 P21 M26 V27 V28I20-I24 HydrophobicContact CG2-CD1 3.76Å; I20-I24 VanDerWaalsContact O-CG1 3.28Å; I20-I24 WeakPolarHBondContact O-CG1 3.38Å; I20-I24 PolarHBondContact O-N 3.45Å; P21-I24 PolarHBondContact O-N 3.3Å; I24-M26 VanDerWaalsContact C-N 3.33Å; I24-M26 PolarHBondContact O-N 3.36Å; I24-V27 PolarHBondContact O-N 3.25Å; I24-V28 HydrophobicContact CG2-CG2 4.33Å; I24-V28 WeakPolarHBondContact O-CG2 3.29Å; I24-V28 PolarHBondContact O-N 3.47Å
25G92.3Very high91Very high41 Ų4185.3 Ų85.342%0.42347%0.47SS..Hα-helixtrans-59.3-41.5176.200000112.9P21 A22 V23 S29P21-G25 PolarHBondContact O-N 2.72Å; A22-G25 PolarHBondContact O-N 2.92Å; V23-G25 VanDerWaalsContact C-N 3.31Å; V23-G25 PolarHBondContact O-N 3.42Å; G25-S29 VanDerWaalsContact O-CB 3.24Å; G25-S29 WeakPolarHBondContact O-CB 3.5Å; G25-S29 PolarHBondContact O-N 3.22Å
26M93.5Very high90.6Very high131 Ų13180.1 Ų80.165%0.64545%0.449SS*.Hα-helixtrans-65.4-41.2175.7-71178.172.800112A22 V23 I24 S29 S30A22-M26 VanDerWaalsContact O-CG 3.3Å; A22-M26 WeakPolarHBondContact O-CG 3.43Å; A22-M26 PolarHBondContact O-N 3.46Å; V23-M26 PolarHBondContact O-N 2.81Å; I24-M26 VanDerWaalsContact C-N 3.33Å; I24-M26 PolarHBondContact O-N 3.36Å; M26-S29 PolarHBondContact O-N 2.79Å; M26-S30 WeakPolarHBondContact O-CB 3.41Å; M26-S30 PolarHBondContact O-N 2.84Å; M26-S30 PolarHBondContact O-OG 2.9Å
27V94.6Very high90.3Very high79 Ų7979.8 Ų79.848%0.47945%0.449SS..Hα-helixtrans-65.3-47.5177.4170.90000110.8V23 I24 S29 S30 L31V23-V27 HydrophobicContact CG1-CG2 4.49Å; V23-V27 WeakPolarHBondContact O-CG2 3.07Å; V23-V27 PolarHBondContact O-N 3.37Å; I24-V27 PolarHBondContact O-N 3.25Å; V27-S29 VanDerWaalsContact C-N 3.34Å; V27-S29 PolarHBondContact O-N 2.86Å; V27-S30 PolarHBondContact O-N 3.47Å; V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.35Å; V27-L31 PolarHBondContact O-N 3.44Å
28V91.5Very high90.1Very high90 Ų9075.9 Ų75.955%0.54544%0.44SS..Hα-helixtrans-60.8-44.7177173.10000110.9I24 S30 L31 Y32I24-V28 HydrophobicContact CG2-CG2 4.33Å; I24-V28 WeakPolarHBondContact O-CG2 3.29Å; I24-V28 PolarHBondContact O-N 3.47Å; V28-S30 VanDerWaalsContact C-N 3.33Å; V28-S30 PolarHBondContact O-N 3.19Å; V28-L31 PolarHBondContact O-N 3.08Å; V28-Y32 WeakPolarHBondContact O-CB 3.44Å; V28-Y32 PolarHBondContact O-N 3.34Å
29S87.5Confident89.6Confident51 Ų5176.3 Ų76.336%0.35744%0.442SS..Hα-helixtrans-60.6-41.9175.7-176.40000112G25 M26 V27 Y32 N33G25-S29 VanDerWaalsContact O-CB 3.24Å; G25-S29 WeakPolarHBondContact O-CB 3.5Å; G25-S29 PolarHBondContact O-N 3.22Å; M26-S29 PolarHBondContact O-N 2.79Å; V27-S29 VanDerWaalsContact C-N 3.34Å; V27-S29 PolarHBondContact O-N 2.86Å; S29-Y32 PolarHBondContact O-N 3.35Å; S29-N33 PolarHBondContact O-N 3.47Å; S29-N33 VanDerWaalsContact O-N 3.07Å; S29-N33 PolarHBondContact O-ND2 3.44Å
30S92Very high89.1Confident66 Ų6676.6 Ų76.646%0.46244%0.441SS..Hα-helixtrans-65.5-44.1177.7-57.50000111.9M26 V27 V28 Y32 N33 I34M26-S30 WeakPolarHBondContact O-CB 3.41Å; M26-S30 PolarHBondContact O-N 2.84Å; M26-S30 PolarHBondContact O-OG 2.9Å; V27-S30 PolarHBondContact O-N 3.47Å; V28-S30 VanDerWaalsContact C-N 3.33Å; V28-S30 PolarHBondContact O-N 3.19Å; S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 PolarHBondContact O-N 3Å; S30-N33 PolarHBondContact O-N 3.36Å; S30-I34 WeakPolarHBondContact O-CG1 3.19Å; S30-I34 PolarHBondContact O-N 3.19Å
31L91.6Very high88.4Confident99 Ų9973.1 Ų73.152%0.51843%0.43SS..Hα-helixtrans-61.1-42.7176-74171.3000111.7V27 V28 N33 I34 V35V27-L31 HydrophobicContact CG1-CD1 4.05Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.35Å; V27-L31 PolarHBondContact O-N 3.44Å; V28-L31 PolarHBondContact O-N 3.08Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 2.87Å; L31-I34 PolarHBondContact O-N 2.98Å; L31-V35 VanDerWaalsContact O-CG2 3.32Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 3.46Å
32Y85.5Confident87.9Confident53 Ų5377.2 Ų77.221%0.20844%0.443CS..Hα-helixtrans-59.2-44.1175.3174-103.1000112V28 S29 S30 I34 V35 N36 W88 I95V28-Y32 WeakPolarHBondContact O-CB 3.44Å; V28-Y32 PolarHBondContact O-N 3.34Å; S29-Y32 PolarHBondContact O-N 3.35Å; S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 PolarHBondContact O-N 3Å; Y32-I34 PolarHBondContact O-N 2.84Å; Y32-V35 PolarHBondContact O-N 3.1Å; Y32-N36 VanDerWaalsContact CD1-ND2 3.29Å; Y32-N36 WeakPolarHBondContact CD1-ND2 3.42Å; Y32-N36 WeakPolarHBondContact CE1-ND2 3.27Å; Y32-N36 WeakPolarHBondContact O-CB 3.14Å; Y32-N36 PolarHBondContact O-N 2.81Å; Y32-N36 PolarHBondContact O-ND2 2.81Å; Y32-W88 AromaticContact CD1-CH2 3.81Å; Y32-W88 HydrophobicContact CD1-CH2 3.81Å; Y32-W88 AromaticContact CD1-CZ3 3.97Å; Y32-W88 HydrophobicContact CD1-CZ3 3.97Å; Y32-W88 AromaticContact CE1-CH2 3.5Å; Y32-W88 HydrophobicContact CE1-CH2 3.5Å; Y32-W88 AromaticContact CE1-CZ3 3.56Å; Y32-W88 HydrophobicContact CE1-CZ3 3.56Å; Y32-W88 AromaticContact CZ-CZ3 3.88Å; Y32-I95 HydrophobicContact CE2-CD1 4.39Å; Y32-I95 WeakPolarHBondContact OH-CD1 3.42Å
33N84.9Confident87Confident86 Ų8677.7 Ų77.746%0.4645%0.453SS..Hα-helixtrans-63.3-39.2176.2-75.9-65.5000112.7S29 S30 L31 G37S29-N33 PolarHBondContact O-N 3.47Å; S29-N33 VanDerWaalsContact O-N 3.07Å; S29-N33 PolarHBondContact O-ND2 3.44Å; S30-N33 PolarHBondContact O-N 3.36Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 2.87Å; N33-G37 PolarHBondContact O-N 3.46Å
34I89.7Confident86.2Confident103 Ų10377.7 Ų77.753%0.52845%0.453SS..Hα-helixtrans-63.4-48.6175.5-66.7165000110.5S30 L31 Y32 N36 G37 I38S30-I34 WeakPolarHBondContact O-CG1 3.19Å; S30-I34 PolarHBondContact O-N 3.19Å; L31-I34 PolarHBondContact O-N 2.98Å; Y32-I34 PolarHBondContact O-N 2.84Å; I34-N36 PolarHBondContact O-N 2.78Å; I34-G37 PolarHBondContact O-N 3.29Å; I34-G37 VanDerWaalsContact O-N 3.16Å; I34-I38 HydrophobicContact CG2-CD1 4.08Å; I34-I38 WeakPolarHBondContact O-CG1 3.26Å; I34-I38 PolarHBondContact O-N 3.26Å
35V87.4Confident85.5Confident65 Ų6574.4 Ų74.439%0.39444%0.443SS..Hα-helixtrans-60.3-47.3179.4171.40000110.4L31 Y32 G37 I38 F39L31-V35 VanDerWaalsContact O-CG2 3.32Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 3.46Å; Y32-V35 PolarHBondContact O-N 3.1Å; V35-G37 VanDerWaalsContact C-N 3.31Å; V35-G37 PolarHBondContact O-N 2.83Å; V35-I38 PolarHBondContact O-N 3.03Å; V35-I38 VanDerWaalsContact O-N 3.13Å; V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.47Å; V35-F39 VanDerWaalsContact CG1-CE2 3.47Å; V35-F39 VanDerWaalsContact O-CD2 3.25Å; V35-F39 WeakPolarHBondContact O-CD2 3.38Å; V35-F39 PolarHBondContact O-N 3.1Å
36N82.1Confident85Confident36 Ų3680.8 Ų80.819%0.19346%0.462CS..Hα-helixtrans-58-43.4174.4-70.3-21.4000112.2Y32 I34 I38 F39 V40Y32-N36 VanDerWaalsContact CD1-ND2 3.29Å; Y32-N36 WeakPolarHBondContact CD1-ND2 3.42Å; Y32-N36 WeakPolarHBondContact CE1-ND2 3.27Å; Y32-N36 WeakPolarHBondContact O-CB 3.14Å; Y32-N36 PolarHBondContact O-N 2.81Å; Y32-N36 PolarHBondContact O-ND2 2.81Å; I34-N36 PolarHBondContact O-N 2.78Å; N36-I38 VanDerWaalsContact C-N 3.3Å; N36-I38 PolarHBondContact O-N 3.23Å; N36-F39 PolarHBondContact O-N 3.13Å; N36-V40 WeakPolarHBondContact O-CB 3.39Å; N36-V40 WeakPolarHBondContact O-CG2 3.49Å; N36-V40 PolarHBondContact O-N 3.21Å
37G83.7Confident84.4Confident27 Ų2782.1 Ų82.128%0.27847%0.468SS..Hα-helixtrans-58.9-39.4176.100000112.8N33 I34 V35 G41N33-G37 PolarHBondContact O-N 3.46Å; I34-G37 PolarHBondContact O-N 3.29Å; I34-G37 VanDerWaalsContact O-N 3.16Å; V35-G37 VanDerWaalsContact C-N 3.31Å; V35-G37 PolarHBondContact O-N 2.83Å; G37-G41 WeakPolarHBondContact O-CA 3.36Å; G37-G41 PolarHBondContact O-N 3.42Å
38I85.7Confident83.7Confident90 Ų9078.8 Ų78.846%0.46245%0.45SS..Hα-helixtrans-67.8-49.1175.8-65.8166.7000111I34 V35 N36 V40 G41 Q42I34-I38 HydrophobicContact CG2-CD1 4.08Å; I34-I38 WeakPolarHBondContact O-CG1 3.26Å; I34-I38 PolarHBondContact O-N 3.26Å; V35-I38 PolarHBondContact O-N 3.03Å; V35-I38 VanDerWaalsContact O-N 3.13Å; N36-I38 VanDerWaalsContact C-N 3.3Å; N36-I38 PolarHBondContact O-N 3.23Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 3.49Å; I38-G41 PolarHBondContact O-N 3.46Å; I38-Q42 HydrophobicContact CG2-CG 4.35Å; I38-Q42 WeakPolarHBondContact O-CB 3.47Å; I38-Q42 WeakPolarHBondContact O-CG 3.05Å; I38-Q42 PolarHBondContact O-N 2.93Å
39F81.1Confident83.3Confident145 Ų14577.8 Ų77.864%0.63644%0.441SS*.Hα-helixtrans-60.6-43.8179.7-85.4-76000112.1V35 N36 G43V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.47Å; V35-F39 VanDerWaalsContact CG1-CE2 3.47Å; V35-F39 VanDerWaalsContact O-CD2 3.25Å; V35-F39 WeakPolarHBondContact O-CD2 3.38Å; V35-F39 PolarHBondContact O-N 3.1Å; N36-F39 PolarHBondContact O-N 3.13Å; F39-G43 PolarHBondContact O-N 3.38Å
40V80.6Confident83.3Confident29 Ų2977 Ų7718%0.17644%0.441CS..Hα-helixtrans-68.5-48.7177174.60000109.7N36 I38 Q42 G43 V44 G45 L49 I52N36-V40 WeakPolarHBondContact O-CB 3.39Å; N36-V40 WeakPolarHBondContact O-CG2 3.49Å; N36-V40 PolarHBondContact O-N 3.21Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-V40 PolarHBondContact O-N 3.49Å; V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 PolarHBondContact O-N 3.17Å; V40-G43 PolarHBondContact O-N 2.93Å; V40-V44 HydrophobicContact CB-CG2 4.28Å; V40-V44 HydrophobicContact CG1-CG2 3.43Å; V40-V44 VanDerWaalsContact CG1-CG2 3.43Å; V40-V44 WeakPolarHBondContact O-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.31Å; V40-G45 PolarHBondContact O-N 3.33Å; V40-L49 HydrophobicContact CB-CD2 4.05Å; V40-L49 HydrophobicContact CG1-CD2 3.81Å; V40-L49 HydrophobicContact CG1-CG 4.14Å; V40-I52 HydrophobicContact CB-CD1 3.93Å; V40-I52 HydrophobicContact CG1-CD1 3.46Å; V40-I52 VanDerWaalsContact CG1-CD1 3.46Å; V40-I52 HydrophobicContact CG1-CG1 4.38Å; V40-I52 HydrophobicContact CG2-CD1 3.33Å
41G79.9Confident83Confident29 Ų2977.7 Ų77.730%0.29944%0.443SS..Hα-helixtrans-57.6-38.3178.900000113G37 I38 G45G37-G41 WeakPolarHBondContact O-CA 3.36Å; G37-G41 PolarHBondContact O-N 3.42Å; I38-G41 PolarHBondContact O-N 3.46Å; G41-G45 WeakPolarHBondContact O-CA 3.5Å; G41-G45 PolarHBondContact O-N 3.47Å
42Q81.3Confident82.8Confident162 Ų16276.4 Ų76.476%0.75744%0.436SS*.Hα-helixtrans-79.1-36.9176.6-70.8-175-29.300113.5I38 V40I38-Q42 HydrophobicContact CG2-CG 4.35Å; I38-Q42 WeakPolarHBondContact O-CB 3.47Å; I38-Q42 WeakPolarHBondContact O-CG 3.05Å; I38-Q42 PolarHBondContact O-N 2.93Å; V40-Q42 VanDerWaalsContact C-N 3.27Å; V40-Q42 PolarHBondContact O-N 3.17Å
43G72.1Confident82.9Confident65 Ų6579.5 Ų79.567%0.6746%0.456SS*.Hα-helixtrans-80.6-37.4-175.500000114.4F39 V40F39-G43 PolarHBondContact O-N 3.38Å; V40-G43 PolarHBondContact O-N 2.93Å
44V78.1Confident83.2Confident87 Ų8781 Ų8153%0.52746%0.463SS..Hα-helixtrans-128.9-4.9-172.4-73.10000113.8V40 G48V40-V44 HydrophobicContact CB-CG2 4.28Å; V40-V44 HydrophobicContact CG1-CG2 3.43Å; V40-V44 VanDerWaalsContact CG1-CG2 3.43Å; V40-V44 WeakPolarHBondContact O-CG2 3.47Å; V40-V44 PolarHBondContact O-N 3.31Å; V44-G48 VanDerWaalsContact CG2-CA 3.48Å
45G80.1Confident83.3Confident28 Ų2879.1 Ų79.129%0.28946%0.456SS..Hα-helixtrans73.4-167.2178.700000114.1V40 G41 M47 G48 L49V40-G45 PolarHBondContact O-N 3.33Å; G41-G45 WeakPolarHBondContact O-CA 3.5Å; G41-G45 PolarHBondContact O-N 3.47Å; G45-M47 VanDerWaalsContact C-N 3.27Å; G45-M47 PolarHBondContact O-N 3.05Å; G45-G48 PolarHBondContact O-N 2.73Å; G45-L49 PolarHBondContact O-N 3.37Å
46E81.8Confident83.3Confident175 Ų17581.9 Ų81.982%0.81846%0.46SS*.Hα-helixtrans-58.7-37.3-178.7-168.6-177.6173.400112.5G48 L49 G50E46-G48 PolarHBondContact O-N 2.92Å; E46-L49 PolarHBondContact O-N 3.02Å; E46-G50 PolarHBondContact O-N 2.86Å
47M81.8Confident83.8Confident159 Ų15984 Ų8478%0.78348%0.475SS*.Hα-helixtrans-59.3-34.5175.5-67.8-171.1-68.900112.3G45 T51G45-M47 VanDerWaalsContact C-N 3.27Å; G45-M47 PolarHBondContact O-N 3.05Å; M47-T51 WeakPolarHBondContact O-CB 3.48Å; M47-T51 PolarHBondContact O-N 3.42Å; M47-T51 PolarHBondContact O-OG1 3.43Å
48G79.1Confident84.2Confident9 Ų989.3 Ų89.39%0.09349%0.491CS..Hα-helixtrans-70-42.7177.100000113.3V44 G45 E46 G50 T51 I52V44-G48 VanDerWaalsContact CG2-CA 3.48Å; G45-G48 PolarHBondContact O-N 2.73Å; E46-G48 PolarHBondContact O-N 2.92Å; G48-G50 VanDerWaalsContact C-N 3.31Å; G48-G50 PolarHBondContact O-N 3.24Å; G48-T51 PolarHBondContact O-N 2.96Å; G48-I52 WeakPolarHBondContact O-CG1 3.38Å; G48-I52 PolarHBondContact O-N 3.32Å
49L83.2Confident84.3Confident69 Ų6988.4 Ų88.436%0.36149%0.487SS..Hα-helixtrans-61.4-41.3173.4-68.2172.9000111.3V40 G45 E46 I52 N53V40-L49 HydrophobicContact CB-CD2 4.05Å; V40-L49 HydrophobicContact CG1-CD2 3.81Å; V40-L49 HydrophobicContact CG1-CG 4.14Å; G45-L49 PolarHBondContact O-N 3.37Å; E46-L49 PolarHBondContact O-N 3.02Å; L49-I52 PolarHBondContact O-N 3.47Å; L49-N53 PolarHBondContact O-N 3.04Å
50G87.1Confident84.6Confident34 Ų3485.3 Ų85.335%0.35148%0.475SS..Hα-helixtrans-60.6-44.8173.700000112.7E46 G48 I52 N53 I54E46-G50 PolarHBondContact O-N 2.86Å; G48-G50 VanDerWaalsContact C-N 3.31Å; G48-G50 PolarHBondContact O-N 3.24Å; G50-I52 PolarHBondContact O-N 2.93Å; G50-N53 PolarHBondContact O-N 3.19Å; G50-I54 WeakPolarHBondContact O-CG1 3.34Å; G50-I54 PolarHBondContact O-N 3.3Å
51T86.5Confident85.1Confident81 Ų8188.6 Ų88.650%0.49749%0.491SS..Hα-helixtrans-60.6-43.7177.5-58.40000111.5M47 G48 N53 I54 V55M47-T51 WeakPolarHBondContact O-CB 3.48Å; M47-T51 PolarHBondContact O-N 3.42Å; M47-T51 PolarHBondContact O-OG1 3.43Å; G48-T51 PolarHBondContact O-N 2.96Å; T51-N53 VanDerWaalsContact C-N 3.32Å; T51-N53 PolarHBondContact O-N 3.41Å; T51-I54 PolarHBondContact O-N 3.43Å; T51-V55 HydrophobicContact CG2-CG2 4.17Å; T51-V55 VanDerWaalsContact O-CG2 3.3Å; T51-V55 WeakPolarHBondContact O-CG2 3.28Å; T51-V55 PolarHBondContact O-N 3.43Å
52I86.4Confident85.6Confident73 Ų7393 Ų9337%0.37450%0.504SS..Hα-helixtrans-59.8-43.9178.4-69.7-179.6000111.2V40 G48 L49 G50 I54 V55 Y56V40-I52 HydrophobicContact CB-CD1 3.93Å; V40-I52 HydrophobicContact CG1-CD1 3.46Å; V40-I52 VanDerWaalsContact CG1-CD1 3.46Å; V40-I52 HydrophobicContact CG1-CG1 4.38Å; V40-I52 HydrophobicContact CG2-CD1 3.33Å; G48-I52 WeakPolarHBondContact O-CG1 3.38Å; G48-I52 PolarHBondContact O-N 3.32Å; L49-I52 PolarHBondContact O-N 3.47Å; G50-I52 PolarHBondContact O-N 2.93Å; I52-I54 VanDerWaalsContact C-N 3.29Å; I52-I54 PolarHBondContact O-N 3.15Å; I52-V55 PolarHBondContact O-N 3.22Å; I52-Y56 WeakPolarHBondContact O-CB 3.22Å; I52-Y56 PolarHBondContact O-N 2.85Å
53N88.3Confident85.8Confident118 Ų11888.4 Ų88.463%0.63148%0.484SS*.Hα-helixtrans-64.3-33.4179-73.7-27.2000112.9L49 G50 T51 P57L49-N53 PolarHBondContact O-N 3.04Å; G50-N53 PolarHBondContact O-N 3.19Å; T51-N53 VanDerWaalsContact C-N 3.32Å; T51-N53 PolarHBondContact O-N 3.41Å; N53-P57 VanDerWaalsContact O-CD 3.27Å; N53-P57 WeakPolarHBondContact O-CD 3.26Å
54I91.5Very high86.6Confident118 Ų11887.5 Ų87.561%0.60547%0.47SS*.Hα-helixtrans-72.1-37.6175.2-64.3167.4000111G50 T51 I52 P57 F58G50-I54 WeakPolarHBondContact O-CG1 3.34Å; G50-I54 PolarHBondContact O-N 3.3Å; T51-I54 PolarHBondContact O-N 3.43Å; I52-I54 VanDerWaalsContact C-N 3.29Å; I52-I54 PolarHBondContact O-N 3.15Å; I54-P57 WeakPolarHBondContact O-CD 3.46Å; I54-F58 WeakPolarHBondContact O-CD2 3.17Å; I54-F58 WeakPolarHBondContact O-CE2 3.41Å
55V90.9Very high87.1Confident63 Ų6387.8 Ų87.838%0.38247%0.468SS..Hα-helixtrans-79.1-27.8-178.71750000112.1T51 I52 F58 I59T51-V55 HydrophobicContact CG2-CG2 4.17Å; T51-V55 VanDerWaalsContact O-CG2 3.3Å; T51-V55 WeakPolarHBondContact O-CG2 3.28Å; T51-V55 PolarHBondContact O-N 3.43Å; I52-V55 PolarHBondContact O-N 3.22Å; V55-F58 WeakPolarHBondContact O-CA 3.21Å; V55-F58 WeakPolarHBondContact O-CB 3.3Å; V55-F58 PolarHBondContact O-N 3.29Å; V55-I59 HydrophobicContact CG1-CD1 4.01Å; V55-I59 HydrophobicContact CG1-CG1 4.07Å; V55-I59 PolarHBondContact O-N 3Å
56Y88.1Confident87.4Confident123 Ų12389 Ų8948%0.48247%0.469SS..Hα-helixtrans-54.7-42.8-174.4-163.6-102.9000114.6I52 F58 I59 M60I52-Y56 WeakPolarHBondContact O-CB 3.22Å; I52-Y56 PolarHBondContact O-N 2.85Å; Y56-F58 VanDerWaalsContact C-N 3.28Å; Y56-F58 PolarHBondContact O-N 3.46Å; Y56-I59 PolarHBondContact O-N 3.33Å; Y56-M60 HydrophobicContact CD1-CG 4.21Å; Y56-M60 HydrophobicContact CE1-CE 4.39Å; Y56-M60 HydrophobicContact CE1-CG 4.01Å; Y56-M60 HydrophobicContact CE1-SD 4.29Å; Y56-M60 HydrophobicContact CE2-CE 4.44Å; Y56-M60 WeakPolarHBondContact O-CG 3.35Å; Y56-M60 PolarHBondContact O-N 2.83Å
57P91.7Very high87.6Confident79 Ų7983.1 Ų83.151%0.51344%0.443SS..Hα-helixtrans-59.2-35.7173.3-24.434.7000113.7N53 I54 M60 L61N53-P57 VanDerWaalsContact O-CD 3.27Å; N53-P57 WeakPolarHBondContact O-CD 3.26Å; I54-P57 WeakPolarHBondContact O-CD 3.46Å; P57-M60 PolarHBondContact O-N 3.36Å; P57-L61 WeakPolarHBondContact O-CB 3.35Å; P57-L61 PolarHBondContact O-N 2.85Å
58F92.3Very high87.8Confident140 Ų14079.4 Ų79.461%0.61443%0.429SS*.Hα-helixtrans-68.8-38.9177.6-64.5-85.2000111.5I54 V55 Y56 M60 L61 E62I54-F58 WeakPolarHBondContact O-CD2 3.17Å; I54-F58 WeakPolarHBondContact O-CE2 3.41Å; V55-F58 WeakPolarHBondContact O-CA 3.21Å; V55-F58 WeakPolarHBondContact O-CB 3.3Å; V55-F58 PolarHBondContact O-N 3.29Å; Y56-F58 VanDerWaalsContact C-N 3.28Å; Y56-F58 PolarHBondContact O-N 3.46Å; F58-M60 VanDerWaalsContact C-N 3.34Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 3.18Å; F58-E62 PolarHBondContact O-N 3.34Å
59I88.5Confident88.2Confident70 Ų7082 Ų8236%0.35944%0.444SS..Hα-helixtrans-62.9-42.8173.5-60.3172000110.4V55 Y56 L61 E62 I63V55-I59 HydrophobicContact CG1-CD1 4.01Å; V55-I59 HydrophobicContact CG1-CG1 4.07Å; V55-I59 PolarHBondContact O-N 3Å; Y56-I59 PolarHBondContact O-N 3.33Å; I59-L61 VanDerWaalsContact C-N 3.3Å; I59-L61 PolarHBondContact O-N 3.02Å; I59-E62 WeakPolarHBondContact O-CB 3.32Å; I59-E62 PolarHBondContact O-N 2.81Å; I59-I63 HydrophobicContact CG2-CD1 4.18Å; I59-I63 WeakPolarHBondContact O-CG1 3.49Å; I59-I63 PolarHBondContact O-N 3.36Å
60M88Confident88.2Confident81 Ų8180.6 Ų80.640%0.39944%0.439SS..Hα-helixtrans-62.4-38.5176-69.4-64.710000112.1Y56 P57 F58 I63 A64Y56-M60 HydrophobicContact CD1-CG 4.21Å; Y56-M60 HydrophobicContact CE1-CE 4.39Å; Y56-M60 HydrophobicContact CE1-CG 4.01Å; Y56-M60 HydrophobicContact CE1-SD 4.29Å; Y56-M60 HydrophobicContact CE2-CE 4.44Å; Y56-M60 WeakPolarHBondContact O-CG 3.35Å; Y56-M60 PolarHBondContact O-N 2.83Å; P57-M60 PolarHBondContact O-N 3.36Å; F58-M60 VanDerWaalsContact C-N 3.34Å; M60-I63 HydrophobicContact CE-CD1 3.7Å; M60-I63 PolarHBondContact O-N 3.19Å; M60-A64 WeakPolarHBondContact O-CB 3.39Å; M60-A64 PolarHBondContact O-N 2.76Å
61L90.8Very high88Confident98 Ų9885.8 Ų85.851%0.51345%0.448SS..Hα-helixtrans-65.6-43.6175.8-176.964.3000111.7P57 F58 I59 I63 A64 I65P57-L61 WeakPolarHBondContact O-CB 3.35Å; P57-L61 PolarHBondContact O-N 2.85Å; F58-L61 WeakPolarHBondContact O-CB 3.47Å; F58-L61 PolarHBondContact O-N 3.18Å; I59-L61 VanDerWaalsContact C-N 3.3Å; I59-L61 PolarHBondContact O-N 3.02Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.22Å; L61-A64 PolarHBondContact O-N 2.93Å; L61-I65 HydrophobicContact CD1-CD1 4.2Å; L61-I65 HydrophobicContact CD1-CG1 4.36Å; L61-I65 HydrophobicContact CD2-CD1 4.49Å; L61-I65 HydrophobicContact CG-CD1 3.87Å; L61-I65 HydrophobicContact CG-CG1 4.44Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.27Å; L61-I65 PolarHBondContact O-N 3.44Å
62E89.2Confident87.9Confident122 Ų12288.7 Ų88.757%0.5746%0.46SS*.Hα-helixtrans-56.9-47.1175.3-173.2-159.915700111.4F58 I59 A64 I65 T66F58-E62 PolarHBondContact O-N 3.34Å; I59-E62 WeakPolarHBondContact O-CB 3.32Å; I59-E62 PolarHBondContact O-N 2.81Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.01Å; E62-I65 PolarHBondContact O-N 3.21Å; E62-T66 WeakPolarHBondContact O-CB 3.14Å; E62-T66 PolarHBondContact O-N 3.38Å; E62-T66 PolarHBondContact O-OG1 3.35Å
63I87.2Confident87.9Confident64 Ų6492.4 Ų92.433%0.32848%0.479SS..Hα-helixtrans-62.8-42.3177.4-65.5171.4000110.5I59 M60 L61 T66 M67I59-I63 HydrophobicContact CG2-CD1 4.18Å; I59-I63 WeakPolarHBondContact O-CG1 3.49Å; I59-I63 PolarHBondContact O-N 3.36Å; M60-I63 HydrophobicContact CE-CD1 3.7Å; M60-I63 PolarHBondContact O-N 3.19Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.22Å; I63-T66 PolarHBondContact O-N 3.25Å; I63-M67 HydrophobicContact CG2-CE 3.46Å; I63-M67 VanDerWaalsContact CG2-CE 3.46Å; I63-M67 HydrophobicContact CG2-CG 4.32Å; I63-M67 HydrophobicContact CG2-SD 3.93Å; I63-M67 WeakPolarHBondContact O-CB 3.47Å; I63-M67 VanDerWaalsContact O-CG 3.27Å; I63-M67 WeakPolarHBondContact O-CG 2.95Å; I63-M67 PolarHBondContact O-N 3.44Å
64A88.2Confident87.6Confident47 Ų4789.5 Ų89.539%0.38848%0.478SS..Hα-helixtrans-63.9-42.9178.200000112.5M60 L61 E62 M67 T68M60-A64 WeakPolarHBondContact O-CB 3.39Å; M60-A64 PolarHBondContact O-N 2.76Å; L61-A64 PolarHBondContact O-N 2.93Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.01Å; A64-M67 PolarHBondContact O-N 2.9Å; A64-T68 VanDerWaalsContact O-CB 3.32Å; A64-T68 WeakPolarHBondContact O-CB 2.92Å; A64-T68 PolarHBondContact O-N 3.41Å; A64-T68 PolarHBondContact O-OG1 2.8Å
65I89.4Confident87Confident93 Ų9385.6 Ų85.648%0.47746%0.459SS..Hα-helixtrans-63.9-45.3175.2-67.1167000110L61 E62 M67 T68 T69L61-I65 HydrophobicContact CD1-CD1 4.2Å; L61-I65 HydrophobicContact CD1-CG1 4.36Å; L61-I65 HydrophobicContact CD2-CD1 4.49Å; L61-I65 HydrophobicContact CG-CD1 3.87Å; L61-I65 HydrophobicContact CG-CG1 4.44Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.27Å; L61-I65 PolarHBondContact O-N 3.44Å; E62-I65 PolarHBondContact O-N 3.21Å; I65-M67 PolarHBondContact O-N 3.21Å; I65-T68 PolarHBondContact O-N 3.15Å; I65-T69 HydrophobicContact CG2-CG2 4.26Å; I65-T69 WeakPolarHBondContact O-CB 3.29Å; I65-T69 WeakPolarHBondContact O-CG2 3.44Å; I65-T69 PolarHBondContact O-N 3.2Å; I65-T69 PolarHBondContact O-OG1 3.4Å
66T86.4Confident86.4Confident52 Ų5287.4 Ų87.432%0.31947%0.467SS..Hα-helixtrans-60-46.6177.5-57.70000111E62 I63 T68 T69 C70E62-T66 WeakPolarHBondContact O-CB 3.14Å; E62-T66 PolarHBondContact O-N 3.38Å; E62-T66 PolarHBondContact O-OG1 3.35Å; I63-T66 PolarHBondContact O-N 3.25Å; T66-T68 VanDerWaalsContact C-N 3.35Å; T66-T68 PolarHBondContact O-N 2.94Å; T66-T69 WeakPolarHBondContact CA-OG1 3.33Å; T66-T69 PolarHBondContact O-N 2.89Å; T66-T69 PolarHBondContact O-OG1 3.48Å; T66-C70 WeakPolarHBondContact O-CB 3.24Å; T66-C70 PolarHBondContact O-N 2.92Å; T66-C70 PolarHBondContact O-SG 2.9Å
67M84.4Confident85.7Confident53 Ų5386.2 Ų86.226%0.26147%0.468SS..Hα-helixtrans-64.6-39.3177.3-72.7178.7179.400112.4I63 A64 I65 R71 L80 K84I63-M67 HydrophobicContact CG2-CE 3.46Å; I63-M67 VanDerWaalsContact CG2-CE 3.46Å; I63-M67 HydrophobicContact CG2-CG 4.32Å; I63-M67 HydrophobicContact CG2-SD 3.93Å; I63-M67 WeakPolarHBondContact O-CB 3.47Å; I63-M67 VanDerWaalsContact O-CG 3.27Å; I63-M67 WeakPolarHBondContact O-CG 2.95Å; I63-M67 PolarHBondContact O-N 3.44Å; A64-M67 PolarHBondContact O-N 2.9Å; I65-M67 PolarHBondContact O-N 3.21Å; M67-R71 WeakPolarHBondContact O-CB 3.34Å; M67-R71 WeakPolarHBondContact O-CG 3.48Å; M67-R71 PolarHBondContact O-N 2.73Å; M67-L80 HydrophobicContact CB-CD1 4.44Å; M67-L80 HydrophobicContact CB-CD2 4.43Å; M67-L80 HydrophobicContact CG-CD1 4.24Å; M67-L80 HydrophobicContact CG-CD2 4.39Å; M67-K84 HydrophobicContact CE-CB 4.38Å; M67-K84 HydrophobicContact CE-CD 3.93Å; M67-K84 HydrophobicContact CE-CG 4.1Å
68T86.4Confident84.4Confident81 Ų8189.8 Ų89.850%0.49747%0.472SS..Hα-helixtrans-68.1-44.5179-56.70000111A64 I65 T66 R71 L72A64-T68 VanDerWaalsContact O-CB 3.32Å; A64-T68 WeakPolarHBondContact O-CB 2.92Å; A64-T68 PolarHBondContact O-N 3.41Å; A64-T68 PolarHBondContact O-OG1 2.8Å; I65-T68 PolarHBondContact O-N 3.15Å; T66-T68 VanDerWaalsContact C-N 3.35Å; T66-T68 PolarHBondContact O-N 2.94Å; T68-R71 PolarHBondContact O-N 3.19Å; T68-L72 HydrophobicContact CG2-CD1 4.34Å; T68-L72 VanDerWaalsContact O-CG 3.29Å; T68-L72 WeakPolarHBondContact O-CG 3.41Å; T68-L72 PolarHBondContact O-N 2.93Å
69T87Confident83.4Confident64 Ų6487.2 Ų87.239%0.39346%0.464SS..Hα-helixtrans-65.4-43.1176.651.70000111.8I65 T66 R71 L72 L73I65-T69 HydrophobicContact CG2-CG2 4.26Å; I65-T69 WeakPolarHBondContact O-CB 3.29Å; I65-T69 WeakPolarHBondContact O-CG2 3.44Å; I65-T69 PolarHBondContact O-N 3.2Å; I65-T69 PolarHBondContact O-OG1 3.4Å; T66-T69 WeakPolarHBondContact CA-OG1 3.33Å; T66-T69 PolarHBondContact O-N 2.89Å; T66-T69 PolarHBondContact O-OG1 3.48Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 3.07Å; T69-L72 WeakPolarHBondContact O-CB 3.3Å; T69-L72 PolarHBondContact O-N 3.39Å; T69-L72 VanDerWaalsContact O-N 3.17Å; T69-L73 WeakPolarHBondContact O-CG 3.45Å; T69-L73 PolarHBondContact O-N 3.28Å
70C84.5Confident82.6Confident38 Ų3884.7 Ų84.726%0.25745%0.451SS..Hα-helixtrans-57-43.3172.8-74.50000112.2T66 L73 T75 L80T66-C70 WeakPolarHBondContact O-CB 3.24Å; T66-C70 PolarHBondContact O-N 2.92Å; T66-C70 PolarHBondContact O-SG 2.9Å; C70-L73 PolarHBondContact O-N 3.46Å; C70-T75 WeakPolarHBondContact O-CB 3.37Å; C70-T75 PolarHBondContact O-N 3.18Å; C70-T75 VanDerWaalsContact O-N 3.16Å; C70-T75 PolarHBondContact O-OG1 2.69Å; C70-L80 HydrophobicContact CB-CD1 3.76Å
71R83Confident82.1Confident144 Ų14484.6 Ų84.654%0.54346%0.455SS..Hα-helixtrans-64.8-40.4176.1-78176.2163.6177.1-4.8112.4M67 T68 T69 L73 G74 D77 L80M67-R71 WeakPolarHBondContact O-CB 3.34Å; M67-R71 WeakPolarHBondContact O-CG 3.48Å; M67-R71 PolarHBondContact O-N 2.73Å; T68-R71 PolarHBondContact O-N 3.19Å; T69-R71 VanDerWaalsContact C-N 3.31Å; T69-R71 PolarHBondContact O-N 3.07Å; R71-L73 VanDerWaalsContact C-N 3.26Å; R71-L73 PolarHBondContact O-N 3.23Å; R71-G74 PolarHBondContact O-N 3.37Å; R71-G74 VanDerWaalsContact O-N 3.13Å; R71-D77 IonicContact CZ-OD1 2.85Å; R71-D77 IonicContact NE-OD1 3.46Å; R71-D77 PolarHBondContact NE-OD1 3.19Å; R71-D77 IonicContact NH2-OD1 3.67Å; R71-D77 PolarHBondContact NH2-OD1 3.06Å; R71-L80 HydrophobicContact CG-CD2 4.28Å
72L84.2Confident81.2Confident142 Ų14287 Ų8774%0.74346%0.459SS*.Hα-helixtrans-62.6-31.7175.1-71.2170.9000112.6T68 T69 G74T68-L72 HydrophobicContact CG2-CD1 4.34Å; T68-L72 VanDerWaalsContact O-CG 3.29Å; T68-L72 WeakPolarHBondContact O-CG 3.41Å; T68-L72 PolarHBondContact O-N 2.93Å; T69-L72 WeakPolarHBondContact O-CB 3.3Å; T69-L72 PolarHBondContact O-N 3.39Å; T69-L72 VanDerWaalsContact O-N 3.17Å; L72-G74 PolarHBondContact O-N 3.17Å
73L86.3Confident80.7Confident150 Ų15083 Ų8379%0.78545%0.446SS*.THydrogen-bonded Turntrans-79.28176.4-64.1174.5000113.9T69 C70 R71T69-L73 WeakPolarHBondContact O-CG 3.45Å; T69-L73 PolarHBondContact O-N 3.28Å; C70-L73 PolarHBondContact O-N 3.46Å; R71-L73 VanDerWaalsContact C-N 3.26Å; R71-L73 PolarHBondContact O-N 3.23Å
74G80.5Confident80.3Confident58 Ų5885.4 Ų85.460%0.59845%0.454SS*.THydrogen-bonded Turntrans83.618.2177.200000114.4R71 L72 N76R71-G74 PolarHBondContact O-N 3.37Å; R71-G74 VanDerWaalsContact O-N 3.13Å; L72-G74 PolarHBondContact O-N 3.17Å; G74-N76 PolarHBondContact O-N 3.19Å
75T80Confident79.7Confident36 Ų3688.4 Ų88.422%0.22146%0.46CS..  trans-69.9120.8174.9-52.60000110.1C70 L79C70-T75 WeakPolarHBondContact O-CB 3.37Å; C70-T75 PolarHBondContact O-N 3.18Å; C70-T75 VanDerWaalsContact O-N 3.16Å; C70-T75 PolarHBondContact O-OG1 2.69Å; T75-L79 HydrophobicContact CG2-CB 3.73Å; T75-L79 HydrophobicContact CG2-CD2 3.69Å; T75-L79 HydrophobicContact CG2-CG 4.26Å
76N77.3Confident79.1Confident101 Ų10191.5 Ų91.554%0.5447%0.467SS..  trans-68.3147.1173.4-64.5-63.7000111.1G74 W78 L79 L80G74-N76 PolarHBondContact O-N 3.19Å; N76-W78 HydrophobicContact CB-CG 4.31Å; N76-W78 PolarHBondContact O-N 3.48Å; N76-L79 PolarHBondContact O-N 2.93Å; N76-L80 PolarHBondContact O-N 3.2Å
77D73.9Confident78.8Confident97 Ų9793.6 Ų93.652%0.51948%0.475SS..Hα-helixtrans-53.6-25.9-174.9-71.1-52.6000114.6R71 T81R71-D77 IonicContact CZ-OD1 2.85Å; R71-D77 IonicContact NE-OD1 3.46Å; R71-D77 PolarHBondContact NE-OD1 3.19Å; R71-D77 IonicContact NH2-OD1 3.67Å; R71-D77 PolarHBondContact NH2-OD1 3.06Å; D77-T81 PolarHBondContact O-N 3.48Å; D77-T81 VanDerWaalsContact O-N 3.12Å; D77-T81 PolarHBondContact O-OG1 2.88Å
78W65.5Low78.6Confident155 Ų15597 Ų9759%0.58749%0.486SS*.Hα-helixtrans-69.2-44.9177.564.2-93.4000112.4N76 L80 T81 Y82N76-W78 HydrophobicContact CB-CG 4.31Å; N76-W78 PolarHBondContact O-N 3.48Å; W78-L80 VanDerWaalsContact C-N 3.27Å; W78-L80 PolarHBondContact O-N 2.86Å; W78-T81 PolarHBondContact O-N 2.97Å; W78-Y82 HydrophobicContact CE3-CD2 4.02Å; W78-Y82 HydrophobicContact CE3-CE2 4.07Å; W78-Y82 WeakPolarHBondContact O-CD2 3.49Å; W78-Y82 PolarHBondContact O-N 3.43Å
79L71.5Confident78.1Confident85 Ų85100.7 Ų100.745%0.44549%0.49SS..Hα-helixtrans-68-34.2178.8-161.191.9000110.3T75 N76 T81 Y82 A83T75-L79 HydrophobicContact CG2-CB 3.73Å; T75-L79 HydrophobicContact CG2-CD2 3.69Å; T75-L79 HydrophobicContact CG2-CG 4.26Å; N76-L79 PolarHBondContact O-N 2.93Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 3.22Å; L79-Y82 PolarHBondContact O-N 2.87Å; L79-A83 VanDerWaalsContact O-CB 3.29Å; L79-A83 WeakPolarHBondContact O-CB 3.48Å; L79-A83 PolarHBondContact O-N 3.4Å
80L71.8Confident77.7Confident18 Ų18101.9 Ų101.99%0.09449%0.493CS..Hα-helixtrans-63.3-38.6175.3-166.174.2000111.9M67 C70 R71 N76 W78 A83 K84M67-L80 HydrophobicContact CB-CD1 4.44Å; M67-L80 HydrophobicContact CB-CD2 4.43Å; M67-L80 HydrophobicContact CG-CD1 4.24Å; M67-L80 HydrophobicContact CG-CD2 4.39Å; C70-L80 HydrophobicContact CB-CD1 3.76Å; R71-L80 HydrophobicContact CG-CD2 4.28Å; N76-L80 PolarHBondContact O-N 3.2Å; W78-L80 VanDerWaalsContact C-N 3.27Å; W78-L80 PolarHBondContact O-N 2.86Å; L80-A83 PolarHBondContact O-N 3.26Å; L80-K84 WeakPolarHBondContact O-CB 3.48Å; L80-K84 PolarHBondContact O-N 3.45Å
81T75.9Confident77.3Confident79 Ų79102.3 Ų102.349%0.48550%0.499SS..Hα-helixtrans-65.9-44.8177-55.70000110.9D77 W78 L79 K84 E85D77-T81 PolarHBondContact O-N 3.48Å; D77-T81 VanDerWaalsContact O-N 3.12Å; D77-T81 PolarHBondContact O-OG1 2.88Å; W78-T81 PolarHBondContact O-N 2.97Å; L79-T81 VanDerWaalsContact C-N 3.32Å; L79-T81 PolarHBondContact O-N 3.22Å; T81-K84 PolarHBondContact O-N 3.11Å; T81-E85 PolarHBondContact O-N 3.49Å; T81-E85 VanDerWaalsContact O-N 3.08Å
82Y73.4Confident77.1Confident149 Ų14998.2 Ų98.258%0.58449%0.488SS*.Hα-helixtrans-64.6-41173.7-71.3-64.3000112.8W78 L79 K84 E85 Y86W78-Y82 HydrophobicContact CE3-CD2 4.02Å; W78-Y82 HydrophobicContact CE3-CE2 4.07Å; W78-Y82 WeakPolarHBondContact O-CD2 3.49Å; W78-Y82 PolarHBondContact O-N 3.43Å; L79-Y82 PolarHBondContact O-N 2.87Å; Y82-K84 VanDerWaalsContact C-N 3.31Å; Y82-K84 PolarHBondContact O-N 2.89Å; Y82-E85 PolarHBondContact O-N 2.91Å; Y82-Y86 VanDerWaalsContact O-CB 3.29Å; Y82-Y86 WeakPolarHBondContact O-CB 3.26Å; Y82-Y86 PolarHBondContact O-N 3.36Å
83A78Confident76.9Confident37 Ų3797.7 Ų97.731%0.30648%0.48SS..Hα-helixtrans-61.4-42176.200000111L79 L80 Y86 I87L79-A83 VanDerWaalsContact O-CB 3.29Å; L79-A83 WeakPolarHBondContact O-CB 3.48Å; L79-A83 PolarHBondContact O-N 3.4Å; L80-A83 PolarHBondContact O-N 3.26Å; A83-Y86 PolarHBondContact O-N 3.47Å; A83-I87 WeakPolarHBondContact O-CB 3Å; A83-I87 WeakPolarHBondContact O-CD1 3.37Å; A83-I87 WeakPolarHBondContact O-CG1 3.41Å; A83-I87 PolarHBondContact O-N 3.24Å
84K77.9Confident76.4Confident114 Ų11491.9 Ų91.950%0.49646%0.457SS..Hα-helixtrans-60.1-46.1174.7-178.4-175175.4-176.60111.7M67 L80 T81 Y82 W88M67-K84 HydrophobicContact CE-CB 4.38Å; M67-K84 HydrophobicContact CE-CD 3.93Å; M67-K84 HydrophobicContact CE-CG 4.1Å; L80-K84 WeakPolarHBondContact O-CB 3.48Å; L80-K84 PolarHBondContact O-N 3.45Å; T81-K84 PolarHBondContact O-N 3.11Å; Y82-K84 VanDerWaalsContact C-N 3.31Å; Y82-K84 PolarHBondContact O-N 2.89Å; K84-W88 WeakPolarHBondContact O-CB 3.4Å; K84-W88 PolarHBondContact O-N 3.48Å
85E76.1Confident76.2Confident111 Ų11192.9 Ų92.952%0.51945%0.448SS..Hα-helixtrans-63.4-41.7176.4-72.9179.4172.300111.7T81 Y82 W88 W89T81-E85 PolarHBondContact O-N 3.49Å; T81-E85 VanDerWaalsContact O-N 3.08Å; Y82-E85 PolarHBondContact O-N 2.91Å; E85-W88 WeakPolarHBondContact O-CB 3.39Å; E85-W88 PolarHBondContact O-N 3.24Å; E85-W89 PolarHBondContact O-N 2.89Å
86Y77.5Confident76Confident158 Ų15896.7 Ų96.762%0.6247%0.465SS*.Hα-helixtrans-67.1-44.6179.3-173.6-105.9000112.9Y82 A83 W88 W89 I90Y82-Y86 VanDerWaalsContact O-CB 3.29Å; Y82-Y86 WeakPolarHBondContact O-CB 3.26Å; Y82-Y86 PolarHBondContact O-N 3.36Å; A83-Y86 PolarHBondContact O-N 3.47Å; Y86-W88 VanDerWaalsContact C-N 3.26Å; Y86-W88 PolarHBondContact O-N 3.47Å; Y86-W89 PolarHBondContact O-N 2.79Å; Y86-W89 VanDerWaalsContact O-N 3.15Å; Y86-I90 HydrophobicContact CD1-CD1 3.76Å; Y86-I90 HydrophobicContact CD1-CG1 4.45Å; Y86-I90 HydrophobicContact CE1-CD1 3.22Å; Y86-I90 HydrophobicContact CE1-CG1 4.12Å; Y86-I90 PolarHBondContact O-N 2.99Å
87I80.4Confident75.9Confident95 Ų9599.2 Ų99.249%0.48747%0.468SS..Hα-helixtrans-60.1-39.9173.5-69.9165.6000109.9A83 W89 I90 A91A83-I87 WeakPolarHBondContact O-CB 3Å; A83-I87 WeakPolarHBondContact O-CD1 3.37Å; A83-I87 WeakPolarHBondContact O-CG1 3.41Å; A83-I87 PolarHBondContact O-N 3.24Å; I87-W89 VanDerWaalsContact C-N 3.35Å; I87-W89 PolarHBondContact O-N 3.04Å; I87-I90 PolarHBondContact O-N 3.46Å; I87-A91 WeakPolarHBondContact O-CB 3.13Å; I87-A91 PolarHBondContact O-N 3.45Å
88W78.8Confident76Confident126 Ų126100.3 Ų100.348%0.47747%0.472SS..Hα-helixtrans-59.7-43.4174.3-112.399.6000112.6Y32 K84 E85 Y86 A91 L92Y32-W88 AromaticContact CD1-CH2 3.81Å; Y32-W88 HydrophobicContact CD1-CH2 3.81Å; Y32-W88 AromaticContact CD1-CZ3 3.97Å; Y32-W88 HydrophobicContact CD1-CZ3 3.97Å; Y32-W88 AromaticContact CE1-CH2 3.5Å; Y32-W88 HydrophobicContact CE1-CH2 3.5Å; Y32-W88 AromaticContact CE1-CZ3 3.56Å; Y32-W88 HydrophobicContact CE1-CZ3 3.56Å; Y32-W88 AromaticContact CZ-CZ3 3.88Å; K84-W88 WeakPolarHBondContact O-CB 3.4Å; K84-W88 PolarHBondContact O-N 3.48Å; E85-W88 WeakPolarHBondContact O-CB 3.39Å; E85-W88 PolarHBondContact O-N 3.24Å; Y86-W88 VanDerWaalsContact C-N 3.26Å; Y86-W88 PolarHBondContact O-N 3.47Å; W88-A91 PolarHBondContact O-N 3.39Å; W88-L92 PolarHBondContact O-N 2.92Å
89W76.5Confident76.3Confident158 Ų15897.3 Ų97.360%0.59847%0.472SS*.Hα-helixtrans-64.8-44.9175.1-79111.6000112.4E85 Y86 I87 A91 L92 F93E85-W89 PolarHBondContact O-N 2.89Å; Y86-W89 PolarHBondContact O-N 2.79Å; Y86-W89 VanDerWaalsContact O-N 3.15Å; I87-W89 VanDerWaalsContact C-N 3.35Å; I87-W89 PolarHBondContact O-N 3.04Å; W89-A91 VanDerWaalsContact C-N 3.31Å; W89-A91 PolarHBondContact O-N 3.24Å; W89-L92 HydrophobicContact CZ3-CD1 4.48Å; W89-L92 WeakPolarHBondContact O-CB 3.46Å; W89-L92 PolarHBondContact O-N 3.46Å; W89-F93 HydrophobicContact CE3-CE2 4.41Å; W89-F93 WeakPolarHBondContact O-CD2 3.11Å; W89-F93 PolarHBondContact O-N 3Å; W89-F93 VanDerWaalsContact O-N 3.15Å
90I78Confident76.4Confident88 Ų8895.2 Ų95.245%0.45147%0.471SS..Hα-helixtrans-60.5-42.3176.1-71.8178.4000111.1Y86 I87 L92 F93 G94Y86-I90 HydrophobicContact CD1-CD1 3.76Å; Y86-I90 HydrophobicContact CD1-CG1 4.45Å; Y86-I90 HydrophobicContact CE1-CD1 3.22Å; Y86-I90 HydrophobicContact CE1-CG1 4.12Å; Y86-I90 PolarHBondContact O-N 2.99Å; I87-I90 PolarHBondContact O-N 3.46Å; I90-L92 VanDerWaalsContact C-N 3.29Å; I90-L92 PolarHBondContact O-N 2.93Å; I90-F93 CarbonylContact O-C 3.59Å; I90-F93 PolarHBondContact O-N 3.28Å; I90-G94 PolarHBondContact O-N 2.93Å
91A77.6Confident76.4Confident47 Ų4797.4 Ų97.439%0.38848%0.483SS..Hα-helixtrans-60-40.5178.900000111.7I87 W88 W89 G94 I95I87-A91 WeakPolarHBondContact O-CB 3.13Å; I87-A91 PolarHBondContact O-N 3.45Å; W88-A91 PolarHBondContact O-N 3.39Å; W89-A91 VanDerWaalsContact C-N 3.31Å; W89-A91 PolarHBondContact O-N 3.24Å; A91-G94 PolarHBondContact O-N 2.76Å; A91-I95 WeakPolarHBondContact O-CG1 3.4Å; A91-I95 PolarHBondContact O-N 2.93Å
92L78.2Confident76.2Confident58 Ų5894.9 Ų94.930%0.30447%0.472SS..Hα-helixtrans-61.4-47.5175.4-171.3154.7000111.5W88 W89 I90 G94 I95 I96W88-L92 PolarHBondContact O-N 2.92Å; W89-L92 HydrophobicContact CZ3-CD1 4.48Å; W89-L92 WeakPolarHBondContact O-CB 3.46Å; W89-L92 PolarHBondContact O-N 3.46Å; I90-L92 VanDerWaalsContact C-N 3.29Å; I90-L92 PolarHBondContact O-N 2.93Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 3.31Å; L92-I95 PolarHBondContact O-N 3.47Å; L92-I96 HydrophobicContact CD2-CD1 4.02Å; L92-I96 PolarHBondContact O-N 3.18Å
93F79.1Confident76.2Confident131 Ų13193.4 Ų93.458%0.57547%0.474SS*.Hα-helixtrans-65.2-33.7174.4-72.7-69.2000112.4W89 I90 I95 I96 Y97W89-F93 HydrophobicContact CE3-CE2 4.41Å; W89-F93 WeakPolarHBondContact O-CD2 3.11Å; W89-F93 PolarHBondContact O-N 3Å; W89-F93 VanDerWaalsContact O-N 3.15Å; I90-F93 CarbonylContact O-C 3.59Å; I90-F93 PolarHBondContact O-N 3.28Å; F93-I95 PolarHBondContact O-N 2.88Å; F93-I96 PolarHBondContact O-N 3.37Å; F93-Y97 WeakPolarHBondContact O-CB 3.14Å; F93-Y97 PolarHBondContact O-N 3.11Å
94G76.2Confident76.1Confident29 Ų2993.3 Ų93.330%0.29947%0.471SS..Hα-helixtrans-60.7-42175.700000112.2I90 A91 L92 I96 Y97 M98I90-G94 PolarHBondContact O-N 2.93Å; A91-G94 PolarHBondContact O-N 2.76Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 3.31Å; G94-I96 VanDerWaalsContact C-N 3.31Å; G94-I96 PolarHBondContact O-N 3.34Å; G94-Y97 CarbonylContact O-C 3.57Å; G94-Y97 PolarHBondContact O-N 2.83Å; G94-Y97 VanDerWaalsContact O-N 3.11Å; G94-M98 VanDerWaalsContact O-CG 3.26Å; G94-M98 WeakPolarHBondContact O-CG 3.1Å; G94-M98 PolarHBondContact O-N 2.88Å
95I75.9Confident75.9Confident79 Ų7993 Ų9341%0.40547%0.474SS..Hα-helixtrans-62.5-39.1175-67.3167.9000111.2Y32 A91 L92 F93 Y97 M98 P99Y32-I95 HydrophobicContact CE2-CD1 4.39Å; Y32-I95 WeakPolarHBondContact OH-CD1 3.42Å; A91-I95 WeakPolarHBondContact O-CG1 3.4Å; A91-I95 PolarHBondContact O-N 2.93Å; L92-I95 PolarHBondContact O-N 3.47Å; F93-I95 PolarHBondContact O-N 2.88Å; I95-Y97 VanDerWaalsContact C-N 3.3Å; I95-Y97 PolarHBondContact O-N 2.88Å; I95-M98 PolarHBondContact O-N 3.23Å; I95-P99 WeakPolarHBondContact O-CD 3.26Å
96I77.6Confident75.6Confident115 Ų11594.3 Ų94.359%0.5948%0.478SS*.Hα-helixtrans-67.3-34.3175.4-61.3170.9000111L92 F93 G94 P99L92-I96 HydrophobicContact CD2-CD1 4.02Å; L92-I96 PolarHBondContact O-N 3.18Å; F93-I96 PolarHBondContact O-N 3.37Å; G94-I96 VanDerWaalsContact C-N 3.31Å; G94-I96 PolarHBondContact O-N 3.34Å; I96-P99 WeakPolarHBondContact O-CD 3.37Å
97Y75.4Confident75.4Confident155 Ų15590.5 Ų90.561%0.60847%0.471SS*.Hα-helixtrans-76.5-27.5178.5-172.7-112.7000113.5F93 G94 I95 G100 L101F93-Y97 WeakPolarHBondContact O-CB 3.14Å; F93-Y97 PolarHBondContact O-N 3.11Å; G94-Y97 CarbonylContact O-C 3.57Å; G94-Y97 PolarHBondContact O-N 2.83Å; G94-Y97 VanDerWaalsContact O-N 3.11Å; I95-Y97 VanDerWaalsContact C-N 3.3Å; I95-Y97 PolarHBondContact O-N 2.88Å; Y97-G100 WeakPolarHBondContact O-CA 3.36Å; Y97-G100 PolarHBondContact O-N 3.45Å; Y97-L101 HydrophobicContact CD1-CD1 4.06Å; Y97-L101 HydrophobicContact CD1-CG 4.03Å; Y97-L101 HydrophobicContact CE1-CD1 3.87Å; Y97-L101 HydrophobicContact CE1-CD2 3.83Å; Y97-L101 HydrophobicContact CE1-CG 3.68Å; Y97-L101 PolarHBondContact O-N 2.89Å
98M74.6Confident75.1Confident119 Ų11995.2 Ų95.259%0.58648%0.482SS*.Hα-helixtrans-60.2-42.5-175.7-84.6-68.8-179.200115G94 I95 G100 L101 G102G94-M98 VanDerWaalsContact O-CG 3.26Å; G94-M98 WeakPolarHBondContact O-CG 3.1Å; G94-M98 PolarHBondContact O-N 2.88Å; I95-M98 PolarHBondContact O-N 3.23Å; M98-G100 PolarHBondContact O-N 3.38Å; M98-L101 PolarHBondContact O-N 3.43Å; M98-L101 HydrophobicContact SD-CD1 4.11Å; M98-G102 PolarHBondContact O-N 3.27Å
99P73.1Confident74.6Confident92 Ų9294.8 Ų94.860%0.59749%0.489SS*.Hα-helixtrans-53.9-34.8170.3-2833.5000112.9I95 I96 G102 L103I95-P99 WeakPolarHBondContact O-CD 3.26Å; I96-P99 WeakPolarHBondContact O-CD 3.37Å; P99-G102 PolarHBondContact O-N 2.97Å; P99-L103 WeakPolarHBondContact O-CB 3.25Å; P99-L103 PolarHBondContact O-N 3.39Å
100G73.7Confident74.3Confident41 Ų4193.4 Ų93.442%0.42349%0.494SS..Hα-helixtrans-66.6-41.9175.200000112.9Y97 M98 S104Y97-G100 WeakPolarHBondContact O-CA 3.36Å; Y97-G100 PolarHBondContact O-N 3.45Å; M98-G100 PolarHBondContact O-N 3.38Å; G100-S104 WeakPolarHBondContact O-CB 3.32Å; G100-S104 PolarHBondContact O-N 2.96Å
101L71.1Confident73.5Confident65 Ų6594.9 Ų94.934%0.3450%0.503SS..Hα-helixtrans-65.9-43.7172.8-71.1-180000111.7Y97 M98 L103 S104 I105Y97-L101 HydrophobicContact CD1-CD1 4.06Å; Y97-L101 HydrophobicContact CD1-CG 4.03Å; Y97-L101 HydrophobicContact CE1-CD1 3.87Å; Y97-L101 HydrophobicContact CE1-CD2 3.83Å; Y97-L101 HydrophobicContact CE1-CG 3.68Å; Y97-L101 PolarHBondContact O-N 2.89Å; M98-L101 PolarHBondContact O-N 3.43Å; M98-L101 HydrophobicContact SD-CD1 4.11Å; L101-L103 PolarHBondContact O-N 2.89Å; L101-S104 WeakPolarHBondContact CA-OG 2.97Å; L101-S104 PolarHBondContact O-N 3.38Å; L101-S104 VanDerWaalsContact O-N 3.11Å; L101-S104 PolarHBondContact O-OG 3.38Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 3.32Å
102G71.5Confident73Confident25 Ų2596.2 Ų96.226%0.25851%0.513SS..Hα-helixtrans-56.2-50.3174.900000111.5M98 P99 S104 I105 F106M98-G102 PolarHBondContact O-N 3.27Å; P99-G102 PolarHBondContact O-N 2.97Å; G102-S104 VanDerWaalsContact C-N 3.3Å; G102-S104 PolarHBondContact O-N 3.16Å; G102-I105 PolarHBondContact O-N 3.22Å; G102-F106 WeakPolarHBondContact O-CD2 3.42Å; G102-F106 PolarHBondContact O-N 3.27Å
103L73.2Confident72.2Confident119 Ų11998.2 Ų98.262%0.62353%0.53SS*.Hα-helixtrans-59.2-40.9174.8-172.765.3000111.6P99 L101 I105 F106 V107P99-L103 WeakPolarHBondContact O-CB 3.25Å; P99-L103 PolarHBondContact O-N 3.39Å; L101-L103 PolarHBondContact O-N 2.89Å; L103-I105 PolarHBondContact O-N 3.02Å; L103-F106 PolarHBondContact O-N 3.32Å; L103-V107 HydrophobicContact CD1-CG2 4.43Å; L103-V107 HydrophobicContact CG-CG2 4.36Å; L103-V107 WeakPolarHBondContact O-CB 3.43Å; L103-V107 VanDerWaalsContact O-CG2 3.23Å; L103-V107 WeakPolarHBondContact O-CG2 3.08Å; L103-V107 PolarHBondContact O-N 3.13Å
104S76.7Confident71.4Confident35 Ų35100.6 Ų100.625%0.24555%0.548CS..Hα-helixtrans-65-36.8177.481.30000113G100 L101 G102 R108G100-S104 WeakPolarHBondContact O-CB 3.32Å; G100-S104 PolarHBondContact O-N 2.96Å; L101-S104 WeakPolarHBondContact CA-OG 2.97Å; L101-S104 PolarHBondContact O-N 3.38Å; L101-S104 VanDerWaalsContact O-N 3.11Å; L101-S104 PolarHBondContact O-OG 3.38Å; G102-S104 VanDerWaalsContact C-N 3.3Å; G102-S104 PolarHBondContact O-N 3.16Å; S104-R108 VanDerWaalsContact O-CB 3.26Å; S104-R108 WeakPolarHBondContact O-CB 3.23Å; S104-R108 WeakPolarHBondContact O-CD 3.37Å; S104-R108 WeakPolarHBondContact O-CG 3.37Å; S104-R108 PolarHBondContact O-N 2.81Å
105I73.7Confident70.5Confident108 Ų108104.7 Ų104.755%0.55457%0.567SS**Hα-helixtrans-69.1-44.2175.1-66.6162.2000109.6L101 G102 L103 R108 N109L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 3.32Å; G102-I105 PolarHBondContact O-N 3.22Å; L103-I105 PolarHBondContact O-N 3.02Å; I105-R108 PolarHBondContact O-N 3.39Å; I105-N109 WeakPolarHBondContact O-CB 3.34Å; I105-N109 PolarHBondContact O-N 3.4Å
106F69.6Low69.5Low138 Ų138110.1 Ų110.161%0.60561%0.612SS**Hα-helixtrans-61-45.3175.1-79.4-66.6000112.3G102 L103 N109 N110G102-F106 WeakPolarHBondContact O-CD2 3.42Å; G102-F106 PolarHBondContact O-N 3.27Å; L103-F106 PolarHBondContact O-N 3.32Å; F106-N109 PolarHBondContact O-N 3.4Å; F106-N110 WeakPolarHBondContact O-CB 3.35Å; F106-N110 PolarHBondContact O-N 3.39Å
107V72.5Confident69.1Low78 Ų78109.9 Ų109.947%0.47361%0.613SS.*Hα-helixtrans-62.8-41.7175.9169.50000110.9L103 N111L103-V107 HydrophobicContact CD1-CG2 4.43Å; L103-V107 HydrophobicContact CG-CG2 4.36Å; L103-V107 WeakPolarHBondContact O-CB 3.43Å; L103-V107 VanDerWaalsContact O-CG2 3.23Å; L103-V107 WeakPolarHBondContact O-CG2 3.08Å; L103-V107 PolarHBondContact O-N 3.13Å; V107-N111 VanDerWaalsContact O-CG 3.24Å; V107-N111 PolarHBondContact O-N 2.78Å; V107-N111 PolarHBondContact O-ND2 3.41Å
108R73.4Confident68.7Low193 Ų193107.5 Ų107.573%0.72861%0.613SS**Hα-helixtrans-67.5-38175.6-74.1170.5-172.7-168.84.1112.5S104 I105 N111S104-R108 VanDerWaalsContact O-CB 3.26Å; S104-R108 WeakPolarHBondContact O-CB 3.23Å; S104-R108 WeakPolarHBondContact O-CD 3.37Å; S104-R108 WeakPolarHBondContact O-CG 3.37Å; S104-R108 PolarHBondContact O-N 2.81Å; I105-R108 PolarHBondContact O-N 3.39Å; R108-N111 PolarHBondContact O-N 3.36Å
109N69.9Low68.4Low117 Ų117106.8 Ų106.863%0.62662%0.615SS**Hα-helixtrans-77.7-33.4-176.3-163.352.3000112.2I105 F106 N111 A112I105-N109 WeakPolarHBondContact O-CB 3.34Å; I105-N109 PolarHBondContact O-N 3.4Å; F106-N109 PolarHBondContact O-N 3.4Å; N109-N111 PolarHBondContact O-N 3.42Å; N109-A112 PolarHBondContact O-N 2.88Å
110N69.3Low68.1Low129 Ų129107.7 Ų107.769%0.6962%0.616SS**THydrogen-bonded Turntrans-74.4-10.2172.1-77.2-4.5000113.4F106 A112F106-N110 WeakPolarHBondContact O-CB 3.35Å; F106-N110 PolarHBondContact O-N 3.39Å; N110-A112 PolarHBondContact O-N 2.85Å
111N62.3Low67.8Low120 Ų120111.9 Ų111.964%0.64263%0.628SS**THydrogen-bonded Turntrans-83.210.5172.6-77.6-12.1000113.2V107 R108 N109 P113V107-N111 VanDerWaalsContact O-CG 3.24Å; V107-N111 PolarHBondContact O-N 2.78Å; V107-N111 PolarHBondContact O-ND2 3.41Å; R108-N111 PolarHBondContact O-N 3.36Å; N109-N111 PolarHBondContact O-N 3.42Å; N111-P113 WeakPolarHBondContact O-CD 3.21Å; N111-P113 VanDerWaalsContact O-N 3.12Å
112A66.3Low67.6Low74 Ų74115 Ų11561%0.61265%0.647SS**  trans-67.8103.2161.600000107.6N109 N110 L114N109-A112 PolarHBondContact O-N 2.88Å; N110-A112 PolarHBondContact O-N 2.85Å; A112-L114 PolarHBondContact O-N 3.34Å
113P61Low67.3Low101 Ų101121.4 Ų121.466%0.65668%0.675SS**  trans-71130.1179.722.9-12.1000107N111 T115N111-P113 WeakPolarHBondContact O-CD 3.21Å; N111-P113 VanDerWaalsContact O-N 3.12Å; P113-T115 HydrophobicContact CB-CG2 4.37Å; P113-T115 HydrophobicContact CG-CG2 4.2Å; P113-T115 PolarHBondContact O-N 3.19Å
114L62.9Low66.8Low181 Ų181121.6 Ų121.695%0.94868%0.679SS**  trans-62.789.9159.5-67.1172.2000106.5A112 S116A112-L114 PolarHBondContact O-N 3.34Å; L114-S116 PolarHBondContact O-N 3.32Å
115T57.1Low66Low115 Ų115128.8 Ų128.871%0.70672%0.715SS**  trans-73.7111.7168.4520000107.4P113P113-T115 HydrophobicContact CB-CG2 4.37Å; P113-T115 HydrophobicContact CG-CG2 4.2Å; P113-T115 PolarHBondContact O-N 3.19Å
116S54.1Low65.3Low192 Ų192130.7 Ų130.7100%1.34373%0.73SS**  trans62.20170.4760000118.2L114L114-S116 PolarHBondContact O-N 3.32Å

Retrieved 116 of 116 residues in 226 ms (Link to these results)