A0A077Z304_TRITR Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A077Z304, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M58.4Low75.4Confident223 Ų223124.2 Ų124.2100%1.09960%0.599SS**  0-420-153168.8-176.100112.2D3M1-D3 PolarHBondContact O-N 3.18Å
2F71.6Confident75Confident169 Ų169119.4 Ų119.474%0.74158%0.575SS**Hα-helixtrans-59.6-38.5176.3-166.2-103.3000114.1G5 V6F2-G5 PolarHBondContact O-N 2.92Å; F2-V6 HydrophobicContact CD1-CG2 4.09Å; F2-V6 HydrophobicContact CE1-CG2 3.88Å; F2-V6 HydrophobicContact CZ-CG2 4.44Å; F2-V6 PolarHBondContact O-N 2.7Å; F2-V6 VanDerWaalsContact O-N 3.17Å
3D80.5Confident74.8Confident129 Ų129118.6 Ų118.669%0.6958%0.575SS**Hα-helixtrans-61.8-45.6-177.4-150.4-24.9000113.5M1 G5 V6 A7M1-D3 PolarHBondContact O-N 3.18Å; D3-G5 PolarHBondContact O-N 3.37Å; D3-V6 PolarHBondContact O-N 3.18Å; D3-A7 PolarHBondContact O-N 3.06Å
4R79.3Confident75.1Confident214 Ų214118 Ų11881%0.80858%0.576SS**Hα-helixtrans-59-36.1176.4-67.3-173.1-174.3171.10.7112.3Q8R4-Q8 WeakPolarHBondContact O-CB 3.24Å; R4-Q8 PolarHBondContact O-N 3.35Å
5G74Confident75.1Confident28 Ų28115.5 Ų115.529%0.28956%0.562SS.*Hα-helixtrans-75.3-26.617800000113.8F2 D3 R9F2-G5 PolarHBondContact O-N 2.92Å; D3-G5 PolarHBondContact O-N 3.37Å; G5-R9 WeakPolarHBondContact O-CB 3.41Å; G5-R9 WeakPolarHBondContact O-CG 3.43Å; G5-R9 PolarHBondContact O-N 3.31Å; G5-R9 PolarHBondContact O-NE 3.22Å
6V79.9Confident74.8Confident45 Ų45112.9 Ų112.927%0.27355%0.545SS..Hα-helixtrans-75.3-45.9172176.50000109.9F2 D3 Q8 R9 M10F2-V6 HydrophobicContact CD1-CG2 4.09Å; F2-V6 HydrophobicContact CE1-CG2 3.88Å; F2-V6 HydrophobicContact CZ-CG2 4.44Å; F2-V6 PolarHBondContact O-N 2.7Å; F2-V6 VanDerWaalsContact O-N 3.17Å; D3-V6 PolarHBondContact O-N 3.18Å; V6-Q8 PolarHBondContact O-N 3.06Å; V6-R9 PolarHBondContact O-N 3.09Å; V6-M10 HydrophobicContact CG1-CE 3.76Å; V6-M10 HydrophobicContact CG1-SD 4.25Å; V6-M10 WeakPolarHBondContact O-CG 3.49Å; V6-M10 PolarHBondContact O-N 3.18Å
7A79.4Confident75Confident44 Ų44110.6 Ų110.636%0.36454%0.535SS..Hα-helixtrans-59.1-45.4176.700000112.2D3 R9 M10 M11D3-A7 PolarHBondContact O-N 3.06Å; A7-R9 PolarHBondContact O-N 2.98Å; A7-M10 PolarHBondContact O-N 3.18Å; A7-M11 WeakPolarHBondContact O-CG 3.47Å; A7-M11 PolarHBondContact O-N 3.36Å
8Q76.2Confident75.4Confident110 Ų110111.2 Ų111.251%0.51454%0.537SS..Hα-helixtrans-63.8-42178.1-166.5178.2-60.300112.4R4 V6 M10 M11 E12R4-Q8 WeakPolarHBondContact O-CB 3.24Å; R4-Q8 PolarHBondContact O-N 3.35Å; V6-Q8 PolarHBondContact O-N 3.06Å; Q8-M10 VanDerWaalsContact C-N 3.33Å; Q8-M10 PolarHBondContact O-N 3Å; Q8-M11 HydrophobicContact CB-CE 4.42Å; Q8-M11 PolarHBondContact O-N 2.91Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.29Å; Q8-E12 PolarHBondContact NE2-OE1 3.3Å; Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 3.22Å
9R77.5Confident75.5Confident152 Ų152108.8 Ų108.857%0.57453%0.525SS*.Hα-helixtrans-66-34.3175.4-77.7-177.8-72-147.52.7113.1G5 V6 A7 L13G5-R9 WeakPolarHBondContact O-CB 3.41Å; G5-R9 WeakPolarHBondContact O-CG 3.43Å; G5-R9 PolarHBondContact O-N 3.31Å; G5-R9 PolarHBondContact O-NE 3.22Å; V6-R9 PolarHBondContact O-N 3.09Å; A7-R9 PolarHBondContact O-N 2.98Å; R9-L13 VanDerWaalsContact O-CB 3.24Å; R9-L13 WeakPolarHBondContact O-CB 3.5Å; R9-L13 PolarHBondContact O-N 3.28Å
10M76.5Confident75.8Confident128 Ų128109.2 Ų109.263%0.63152%0.524SS*.Hα-helixtrans-65.8-42172.4-76178.9179.100111.3V6 A7 Q8 L13 D14V6-M10 HydrophobicContact CG1-CE 3.76Å; V6-M10 HydrophobicContact CG1-SD 4.25Å; V6-M10 WeakPolarHBondContact O-CG 3.49Å; V6-M10 PolarHBondContact O-N 3.18Å; A7-M10 PolarHBondContact O-N 3.18Å; Q8-M10 VanDerWaalsContact C-N 3.33Å; Q8-M10 PolarHBondContact O-N 3Å; M10-L13 PolarHBondContact O-N 2.96Å; M10-D14 WeakPolarHBondContact O-CB 3.46Å; M10-D14 PolarHBondContact O-N 3.15Å
11M76.1Confident76.4Confident124 Ų124109.2 Ų109.261%0.61152%0.52SS*.Hα-helixtrans-65.9-45176.4-68.5-174.4-62.700112.6A7 Q8 L13 D14 E15A7-M11 WeakPolarHBondContact O-CG 3.47Å; A7-M11 PolarHBondContact O-N 3.36Å; Q8-M11 HydrophobicContact CB-CE 4.42Å; Q8-M11 PolarHBondContact O-N 2.91Å; M11-L13 VanDerWaalsContact C-N 3.3Å; M11-L13 PolarHBondContact O-N 3.05Å; M11-D14 PolarHBondContact O-N 3.39Å; M11-E15 WeakPolarHBondContact O-CB 3.33Å; M11-E15 PolarHBondContact O-N 3.12Å
12E70.8Confident77.9Confident67 Ų67101.6 Ų101.631%0.31349%0.485SS..Hα-helixtrans-64.3-34.5176.6-72.4169.6-164.700112.2Q8 R16Q8-E12 WeakPolarHBondContact CG-OE1 3.29Å; Q8-E12 PolarHBondContact NE2-OE1 3.3Å; Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 3.22Å; E12-R16 WeakPolarHBondContact O-CG 3.4Å; E12-R16 PolarHBondContact O-N 2.57Å
13L72Confident78.6Confident109 Ų10995.9 Ų95.957%0.57147%0.47SS*.Hα-helixtrans-69.5-42.6174.2-175.464.5000111.3R9 M10 M11 L17R9-L13 VanDerWaalsContact O-CB 3.24Å; R9-L13 WeakPolarHBondContact O-CB 3.5Å; R9-L13 PolarHBondContact O-N 3.28Å; M10-L13 PolarHBondContact O-N 2.96Å; M11-L13 VanDerWaalsContact C-N 3.3Å; M11-L13 PolarHBondContact O-N 3.05Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.27Å
14D78.6Confident79.2Confident110 Ų11093.7 Ų93.759%0.58846%0.461SS*.Hα-helixtrans-63-43.8177.5-169.970.9000111.9M10 M11 L17 H18M10-D14 WeakPolarHBondContact O-CB 3.46Å; M10-D14 PolarHBondContact O-N 3.15Å; M11-D14 PolarHBondContact O-N 3.39Å; D14-L17 PolarHBondContact O-N 2.88Å; D14-H18 VanDerWaalsContact O-CB 3.31Å; D14-H18 WeakPolarHBondContact O-CB 3.26Å; D14-H18 PolarHBondContact O-N 3.33Å
15E75.2Confident79.8Confident80 Ų8090.4 Ų90.437%0.37445%0.449SS..Hα-helixtrans-63.6-47.8178.9-170.8-174.3-159.400112.1M11 L17 H18 E19 R96M11-E15 WeakPolarHBondContact O-CB 3.33Å; M11-E15 PolarHBondContact O-N 3.12Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.34Å; E15-H18 WeakPolarHBondContact O-CB 3.41Å; E15-H18 PolarHBondContact O-N 2.89Å; E15-H18 VanDerWaalsContact O-N 3.17Å; E15-E19 PolarHBondContact O-N 3.46Å; E15-R96 IonicContact OE1-CZ 2.57Å; E15-R96 IonicContact OE1-NH2 2.64Å; E15-R96 PolarHBondContact OE1-NH2 3.04Å; E15-R96 IonicContact OE2-CZ 3.57Å; E15-R96 IonicContact OE2-NH1 3.14Å; E15-R96 PolarHBondContact OE2-NH1 3.02Å; E15-R96 IonicContact OE2-NH2 3.9Å; E15-R96 PolarHBondContact OE2-NH2 2.94Å
16R71.2Confident80.7Confident75 Ų7594.4 Ų94.428%0.28346%0.464SS..Hα-helixtrans-60.5-45.6175.5-74.7-162.2-72.2-155.2-7.6111.4E12 H18 E19 F20 D100E12-R16 WeakPolarHBondContact O-CG 3.4Å; E12-R16 PolarHBondContact O-N 2.57Å; R16-H18 PolarHBondContact O-N 3.38Å; R16-E19 PolarHBondContact O-N 2.91Å; R16-F20 HydrophobicContact CB-CD2 4.47Å; R16-F20 HydrophobicContact CB-CE2 4.45Å; R16-F20 WeakPolarHBondContact O-CD2 3.46Å; R16-F20 PolarHBondContact O-N 3.46Å; R16-D100 WeakPolarHBondContact CD-OD2 3.18Å; R16-D100 IonicContact CZ-OD2 3.67Å; R16-D100 IonicContact NE-OD2 3.7Å; R16-D100 IonicContact NH1-OD2 2.81Å; R16-D100 PolarHBondContact NH1-OD2 3.31Å
17L78.5Confident81.3Confident73 Ų7398.4 Ų98.438%0.38248%0.483SS..Hα-helixtrans-60.4-39.5178.4-174.161.8000110.7L13 D14 E15 Y21L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.27Å; D14-L17 PolarHBondContact O-N 2.88Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.34Å; L17-Y21 HydrophobicContact CB-CE2 4.48Å; L17-Y21 HydrophobicContact CD1-CD2 3.82Å; L17-Y21 HydrophobicContact CD1-CE1 4.48Å; L17-Y21 HydrophobicContact CD1-CE2 3.24Å; L17-Y21 HydrophobicContact CD2-CD2 4.4Å; L17-Y21 HydrophobicContact CD2-CE2 3.64Å; L17-Y21 HydrophobicContact CG-CD2 3.56Å; L17-Y21 HydrophobicContact CG-CE2 3.16Å; L17-Y21 VanDerWaalsContact O-CB 3.3Å; L17-Y21 WeakPolarHBondContact O-CB 3.35Å; L17-Y21 WeakPolarHBondContact O-CD2 3.43Å; L17-Y21 VanDerWaalsContact O-CG 3.31Å; L17-Y21 PolarHBondContact O-N 3.34Å
18H81.3Confident82.1Confident121 Ų121101.1 Ų101.156%0.5649%0.49SS*.Hα-helixtrans-61.8-49.1174.6-168.574.3000112D14 E15 R16 F20 Y21 V22D14-H18 VanDerWaalsContact O-CB 3.31Å; D14-H18 WeakPolarHBondContact O-CB 3.26Å; D14-H18 PolarHBondContact O-N 3.33Å; E15-H18 WeakPolarHBondContact O-CB 3.41Å; E15-H18 PolarHBondContact O-N 2.89Å; E15-H18 VanDerWaalsContact O-N 3.17Å; R16-H18 PolarHBondContact O-N 3.38Å; H18-F20 PolarHBondContact O-N 2.94Å; H18-Y21 PolarHBondContact O-N 3.5Å; H18-V22 VanDerWaalsContact O-CG2 3.26Å; H18-V22 WeakPolarHBondContact O-CG2 3.34Å; H18-V22 PolarHBondContact O-N 2.93Å
19E78.1Confident82.9Confident66 Ų6698.2 Ų98.231%0.30849%0.486SS..Hα-helixtrans-59.9-46.8177.4-69.6179161.900112.3E15 R16 Y21 V22 A23 Y103E15-E19 PolarHBondContact O-N 3.46Å; R16-E19 PolarHBondContact O-N 2.91Å; E19-Y21 VanDerWaalsContact C-N 3.33Å; E19-Y21 PolarHBondContact O-N 3.25Å; E19-V22 PolarHBondContact O-N 3.04Å; E19-A23 PolarHBondContact O-N 2.9Å; E19-Y103 PolarHBondContact OE1-OH 3.03Å; E19-Y103 PolarHBondContact OE2-OH 3.44Å
20F81.6Confident83.6Confident116 Ų11694.9 Ų94.951%0.50948%0.482SS..Hα-helixtrans-60-43.3175-77.9-65.3000111.5R16 H18 A23 V24R16-F20 HydrophobicContact CB-CD2 4.47Å; R16-F20 HydrophobicContact CB-CE2 4.45Å; R16-F20 WeakPolarHBondContact O-CD2 3.46Å; R16-F20 PolarHBondContact O-N 3.46Å; H18-F20 PolarHBondContact O-N 2.94Å; F20-A23 PolarHBondContact O-N 3.42Å; F20-V24 VanDerWaalsContact O-CG2 3.27Å; F20-V24 WeakPolarHBondContact O-CG2 3.39Å; F20-V24 PolarHBondContact O-N 2.92Å
21Y87.7Confident84.6Confident111 Ų11190 Ų9044%0.43546%0.464SS..Hα-helixtrans-66.5-40.5177.2-79.5-47.5000112.7L17 H18 E19 A23 V24 Y25L17-Y21 HydrophobicContact CB-CE2 4.48Å; L17-Y21 HydrophobicContact CD1-CD2 3.82Å; L17-Y21 HydrophobicContact CD1-CE1 4.48Å; L17-Y21 HydrophobicContact CD1-CE2 3.24Å; L17-Y21 HydrophobicContact CD2-CD2 4.4Å; L17-Y21 HydrophobicContact CD2-CE2 3.64Å; L17-Y21 HydrophobicContact CG-CD2 3.56Å; L17-Y21 HydrophobicContact CG-CE2 3.16Å; L17-Y21 VanDerWaalsContact O-CB 3.3Å; L17-Y21 WeakPolarHBondContact O-CB 3.35Å; L17-Y21 WeakPolarHBondContact O-CD2 3.43Å; L17-Y21 VanDerWaalsContact O-CG 3.31Å; L17-Y21 PolarHBondContact O-N 3.34Å; H18-Y21 PolarHBondContact O-N 3.5Å; E19-Y21 VanDerWaalsContact C-N 3.33Å; E19-Y21 PolarHBondContact O-N 3.25Å; Y21-A23 VanDerWaalsContact C-N 3.34Å; Y21-A23 PolarHBondContact O-N 3.26Å; Y21-V24 PolarHBondContact O-N 2.9Å; Y21-Y25 HydrophobicContact CD1-CE2 4.4Å; Y21-Y25 HydrophobicContact CG-CE2 4.26Å; Y21-Y25 WeakPolarHBondContact O-CB 3.41Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.38Å; Y21-Y25 VanDerWaalsContact O-CG 3.28Å; Y21-Y25 PolarHBondContact O-N 3.17Å
22V88.9Confident85.5Confident62 Ų6288.2 Ų88.238%0.37646%0.456SS..Hα-helixtrans-58.2-48.6175.8169.80000109.9H18 E19 V24 Y25 L26H18-V22 VanDerWaalsContact O-CG2 3.26Å; H18-V22 WeakPolarHBondContact O-CG2 3.34Å; H18-V22 PolarHBondContact O-N 2.93Å; E19-V22 PolarHBondContact O-N 3.04Å; V22-V24 PolarHBondContact O-N 3.14Å; V22-Y25 PolarHBondContact O-N 3.37Å; V22-L26 HydrophobicContact CG1-CD1 3.99Å; V22-L26 HydrophobicContact CG1-CG 4.44Å; V22-L26 WeakPolarHBondContact O-CB 3.46Å; V22-L26 VanDerWaalsContact O-CG 3.26Å; V22-L26 WeakPolarHBondContact O-CG 3.35Å; V22-L26 PolarHBondContact O-N 3.26Å
23A87.9Confident86.5Confident50 Ų5088.5 Ų88.541%0.41346%0.462SS..Hα-helixtrans-59.6-46176.900000112.2E19 F20 Y21 L26 L27E19-A23 PolarHBondContact O-N 2.9Å; F20-A23 PolarHBondContact O-N 3.42Å; Y21-A23 VanDerWaalsContact C-N 3.34Å; Y21-A23 PolarHBondContact O-N 3.26Å; A23-L26 PolarHBondContact O-N 3.39Å; A23-L27 WeakPolarHBondContact O-CG 3.35Å; A23-L27 PolarHBondContact O-N 3.47Å
24V92.5Very high87.6Confident83 Ų8388.9 Ų88.950%0.50346%0.462SS..Hα-helixtrans-63.8-42178.4170.50000111.8F20 Y21 V22 L27 L28F20-V24 VanDerWaalsContact O-CG2 3.27Å; F20-V24 WeakPolarHBondContact O-CG2 3.39Å; F20-V24 PolarHBondContact O-N 2.92Å; Y21-V24 PolarHBondContact O-N 2.9Å; V22-V24 PolarHBondContact O-N 3.14Å; V24-L27 PolarHBondContact O-N 2.97Å; V24-L28 WeakPolarHBondContact O-CB 3.44Å; V24-L28 PolarHBondContact O-N 2.93Å
25Y92.9Very high88.3Confident145 Ų14587.7 Ų87.757%0.56946%0.462SS*.Hα-helixtrans-67.2-38.5178.3-72.5-49.9000112.2Y21 V22 L28 A29Y21-Y25 HydrophobicContact CD1-CE2 4.4Å; Y21-Y25 HydrophobicContact CG-CE2 4.26Å; Y21-Y25 WeakPolarHBondContact O-CB 3.41Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.38Å; Y21-Y25 VanDerWaalsContact O-CG 3.28Å; Y21-Y25 PolarHBondContact O-N 3.17Å; V22-Y25 PolarHBondContact O-N 3.37Å; Y25-L28 PolarHBondContact O-N 3.35Å; Y25-A29 WeakPolarHBondContact O-CB 3.41Å; Y25-A29 PolarHBondContact O-N 2.85Å
26L91.8Very high89.2Confident112 Ų11287.9 Ų87.959%0.58647%0.466SS*.Hα-helixtrans-63.5-46.4173.6-69.8174000111.3V22 A23 L28 A29 V30V22-L26 HydrophobicContact CG1-CD1 3.99Å; V22-L26 HydrophobicContact CG1-CG 4.44Å; V22-L26 WeakPolarHBondContact O-CB 3.46Å; V22-L26 VanDerWaalsContact O-CG 3.26Å; V22-L26 WeakPolarHBondContact O-CG 3.35Å; V22-L26 PolarHBondContact O-N 3.26Å; A23-L26 PolarHBondContact O-N 3.39Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 3.47Å; L26-A29 PolarHBondContact O-N 2.89Å; L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 3Å
27L93.2Very high90.2Very high129 Ų12985.7 Ų85.768%0.67546%0.459SS*.Hα-helixtrans-60.1-42.4175.7-73.6171.8000112.1A23 V24 V30 G31A23-L27 WeakPolarHBondContact O-CG 3.35Å; A23-L27 PolarHBondContact O-N 3.47Å; V24-L27 PolarHBondContact O-N 2.97Å; L27-V30 PolarHBondContact O-N 3.4Å; L27-G31 PolarHBondContact O-N 2.86Å
28L95Very high90.9Very high100 Ų10084.2 Ų84.252%0.52446%0.462SS..Hα-helixtrans-63.8-44.9176.5-177.165.9000111.5V24 Y25 L26 G31 I32V24-L28 WeakPolarHBondContact O-CB 3.44Å; V24-L28 PolarHBondContact O-N 2.93Å; Y25-L28 PolarHBondContact O-N 3.35Å; L26-L28 VanDerWaalsContact C-N 3.33Å; L26-L28 PolarHBondContact O-N 3.47Å; L28-G31 PolarHBondContact O-N 3.44Å; L28-I32 HydrophobicContact CD1-CD1 4.23Å; L28-I32 HydrophobicContact CD1-CG1 4.46Å; L28-I32 HydrophobicContact CG-CD1 3.95Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.21Å; L28-I32 PolarHBondContact O-N 3.42Å
29A92.9Very high91.4Very high50 Ų5084.5 Ų84.541%0.41346%0.462SS..Hα-helixtrans-60.1-47.217800000111.3Y25 L26 G31 I32 V33Y25-A29 WeakPolarHBondContact O-CB 3.41Å; Y25-A29 PolarHBondContact O-N 2.85Å; L26-A29 PolarHBondContact O-N 2.89Å; A29-G31 PolarHBondContact O-N 3.29Å; A29-I32 PolarHBondContact O-N 3.1Å; A29-V33 WeakPolarHBondContact O-CG2 3.43Å; A29-V33 PolarHBondContact O-N 3.34Å
30V93.9Very high92Very high82 Ų8283.2 Ų83.250%0.49746%0.456SS..Hα-helixtrans-60.7-45.3175.6174.40000110.6L26 L27 I32 V33 M34L26-V30 WeakPolarHBondContact O-CG2 3.26Å; L26-V30 PolarHBondContact O-N 3Å; L27-V30 PolarHBondContact O-N 3.4Å; V30-I32 PolarHBondContact O-N 3.25Å; V30-V33 PolarHBondContact O-N 3Å; V30-M34 HydrophobicContact CG1-CE 3.81Å; V30-M34 HydrophobicContact CG1-CG 4.37Å; V30-M34 HydrophobicContact CG1-SD 4.09Å; V30-M34 WeakPolarHBondContact O-CB 3.44Å; V30-M34 VanDerWaalsContact O-CG 3.29Å; V30-M34 WeakPolarHBondContact O-CG 3.4Å; V30-M34 PolarHBondContact O-N 3.24Å
31G96Very high92.5Very high24 Ų2478.5 Ų78.525%0.24744%0.44CS..Hα-helixtrans-58-44176.300000114L27 L28 A29 S35L27-G31 PolarHBondContact O-N 2.86Å; L28-G31 PolarHBondContact O-N 3.44Å; A29-G31 PolarHBondContact O-N 3.29Å; G31-S35 WeakPolarHBondContact O-CB 3.24Å; G31-S35 PolarHBondContact O-N 3.44Å; G31-S35 PolarHBondContact O-OG 3.2Å
32I95.4Very high92.7Very high88 Ų8876.7 Ų76.745%0.45144%0.444SS..Hα-helixtrans-65.1-47.2176.9-69.3167.3000110.4L28 A29 V30 M34 S35 L36L28-I32 HydrophobicContact CD1-CD1 4.23Å; L28-I32 HydrophobicContact CD1-CG1 4.46Å; L28-I32 HydrophobicContact CG-CD1 3.95Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.21Å; L28-I32 PolarHBondContact O-N 3.42Å; A29-I32 PolarHBondContact O-N 3.1Å; V30-I32 PolarHBondContact O-N 3.25Å; I32-M34 PolarHBondContact O-N 3.44Å; I32-S35 PolarHBondContact O-N 3.37Å; I32-L36 HydrophobicContact CG2-CD1 3.88Å; I32-L36 HydrophobicContact CG2-CG 4.27Å; I32-L36 WeakPolarHBondContact O-CB 3.37Å; I32-L36 VanDerWaalsContact O-CG 3.32Å; I32-L36 WeakPolarHBondContact O-CG 3.5Å; I32-L36 PolarHBondContact O-N 3.42Å
33V92.6Very high92.9Very high72 Ų7274.9 Ų74.944%0.43643%0.433SS..Hα-helixtrans-59.8-46.8178.7171.50000110.8A29 V30 S35 L36 L37A29-V33 WeakPolarHBondContact O-CG2 3.43Å; A29-V33 PolarHBondContact O-N 3.34Å; V30-V33 PolarHBondContact O-N 3Å; V33-S35 PolarHBondContact O-N 3.4Å; V33-L36 PolarHBondContact O-N 3.1Å; V33-L37 HydrophobicContact CG1-CD1 3.96Å; V33-L37 HydrophobicContact CG1-CG 4.41Å; V33-L37 WeakPolarHBondContact O-CB 3.44Å; V33-L37 VanDerWaalsContact O-CG 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 3.49Å
34M94Very high93.1Very high118 Ų11872.5 Ų72.558%0.58141%0.413SS*.Hα-helixtrans-60.5-43.5176.2-70.3-174-58.200112V30 I32 L37 G38V30-M34 HydrophobicContact CG1-CE 3.81Å; V30-M34 HydrophobicContact CG1-CG 4.37Å; V30-M34 HydrophobicContact CG1-SD 4.09Å; V30-M34 WeakPolarHBondContact O-CB 3.44Å; V30-M34 VanDerWaalsContact O-CG 3.29Å; V30-M34 WeakPolarHBondContact O-CG 3.4Å; V30-M34 PolarHBondContact O-N 3.24Å; I32-M34 PolarHBondContact O-N 3.44Å; M34-L37 PolarHBondContact O-N 2.96Å; M34-G38 PolarHBondContact O-N 3.35Å
35S94.6Very high93Very high84 Ų8470.6 Ų70.659%0.58741%0.406SS*.Hα-helixtrans-65.2-41.2179.3-59.30000112G31 I32 V33 G38 F39G31-S35 WeakPolarHBondContact O-CB 3.24Å; G31-S35 PolarHBondContact O-N 3.44Å; G31-S35 PolarHBondContact O-OG 3.2Å; I32-S35 PolarHBondContact O-N 3.37Å; V33-S35 PolarHBondContact O-N 3.4Å; S35-G38 PolarHBondContact O-N 2.84Å; S35-F39 VanDerWaalsContact O-CB 3.3Å; S35-F39 WeakPolarHBondContact O-CB 3.2Å; S35-F39 PolarHBondContact O-N 3.01Å
36L92.4Very high93Very high85 Ų8570.2 Ų70.245%0.44541%0.413SS..Hα-helixtrans-65.7-47.4176.1-72.5175.5000111.5I32 V33 G38 F39 M40I32-L36 HydrophobicContact CG2-CD1 3.88Å; I32-L36 HydrophobicContact CG2-CG 4.27Å; I32-L36 WeakPolarHBondContact O-CB 3.37Å; I32-L36 VanDerWaalsContact O-CG 3.32Å; I32-L36 WeakPolarHBondContact O-CG 3.5Å; I32-L36 PolarHBondContact O-N 3.42Å; V33-L36 PolarHBondContact O-N 3.1Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 2.91Å; L36-F39 PolarHBondContact O-N 3.24Å; L36-M40 HydrophobicContact CB-CE 4.5Å; L36-M40 WeakPolarHBondContact O-CB 3.44Å; L36-M40 VanDerWaalsContact O-CG 3.24Å; L36-M40 WeakPolarHBondContact O-CG 3.43Å; L36-M40 PolarHBondContact O-N 3.27Å
37L93.4Very high93Very high28 Ų2874.4 Ų74.415%0.14742%0.422CS..Hα-helixtrans-57.5-45.9175.5-74.8174.4000111.3V33 M34 M40 G41 F56 L59 L60V33-L37 HydrophobicContact CG1-CD1 3.96Å; V33-L37 HydrophobicContact CG1-CG 4.41Å; V33-L37 WeakPolarHBondContact O-CB 3.44Å; V33-L37 VanDerWaalsContact O-CG 3.31Å; V33-L37 WeakPolarHBondContact O-CG 3.26Å; V33-L37 PolarHBondContact O-N 3.49Å; M34-L37 PolarHBondContact O-N 2.96Å; L37-M40 PolarHBondContact O-N 3.3Å; L37-G41 PolarHBondContact O-N 3.42Å; L37-F56 HydrophobicContact CB-CD2 4.47Å; L37-F56 HydrophobicContact CB-CE2 4.19Å; L37-F56 HydrophobicContact CD2-CD2 3.89Å; L37-F56 HydrophobicContact CD2-CE2 4.03Å; L37-F56 WeakPolarHBondContact O-CD2 3.33Å; L37-L59 HydrophobicContact CD2-CB 3.58Å; L37-L59 HydrophobicContact CD2-CD1 3.94Å; L37-L59 HydrophobicContact CD2-CG 4.42Å; L37-L60 HydrophobicContact CD2-CD2 4.43Å
38G92.7Very high92.9Very high43 Ų4371.7 Ų71.744%0.44341%0.405SS..Hα-helixtrans-62.7-44.8176.700000113M34 S35 L36 C42M34-G38 PolarHBondContact O-N 3.35Å; S35-G38 PolarHBondContact O-N 2.84Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 2.91Å; G38-C42 WeakPolarHBondContact O-CB 3.47Å; G38-C42 PolarHBondContact O-N 3.41Å
39F92.1Very high92.7Very high126 Ų12669 Ų6955%0.55340%0.395SS*.Hα-helixtrans-63.8-46.6177.1-179.2-96.9000111.9S35 L36 C43S35-F39 VanDerWaalsContact O-CB 3.3Å; S35-F39 WeakPolarHBondContact O-CB 3.2Å; S35-F39 PolarHBondContact O-N 3.01Å; L36-F39 PolarHBondContact O-N 3.24Å; F39-C43 WeakPolarHBondContact CE2-SG 3.42Å; F39-C43 HydrophobicContact CZ-CB 4.49Å; F39-C43 WeakPolarHBondContact O-CB 3.47Å; F39-C43 PolarHBondContact O-N 3.33Å
40M91.3Very high92.6Very high39 Ų3969.4 Ų69.419%0.19239%0.387CS..Hα-helixtrans-64.5-45.6178.7-66.2-173.9-167.300111.7L36 L37 G44 L52 F56 L59L36-M40 HydrophobicContact CB-CE 4.5Å; L36-M40 WeakPolarHBondContact O-CB 3.44Å; L36-M40 VanDerWaalsContact O-CG 3.24Å; L36-M40 WeakPolarHBondContact O-CG 3.43Å; L36-M40 PolarHBondContact O-N 3.27Å; L37-M40 PolarHBondContact O-N 3.3Å; M40-G44 VanDerWaalsContact O-CA 3.28Å; M40-G44 WeakPolarHBondContact O-CA 3.2Å; M40-G44 PolarHBondContact O-N 2.94Å; M40-L52 HydrophobicContact CB-CD1 3.87Å; M40-L52 HydrophobicContact CB-CG 4.2Å; M40-L52 HydrophobicContact CG-CD1 3.66Å; M40-L52 WeakPolarHBondContact O-CG 3.46Å; M40-L52 HydrophobicContact SD-CD1 4.5Å; M40-F56 HydrophobicContact CB-CB 4.12Å; M40-L59 HydrophobicContact CE-CD1 3.93Å; M40-L59 HydrophobicContact SD-CD1 3.53Å; M40-L59 VanDerWaalsContact SD-CD1 3.53Å
41G91.6Very high92.6Very high17 Ų1770.1 Ų70.118%0.17540%0.395CS..Hα-helixtrans-61.6-50.9176.800000112.2L37 A45L37-G41 PolarHBondContact O-N 3.42Å; G41-A45 WeakPolarHBondContact O-CB 3.27Å; G41-A45 PolarHBondContact O-N 3.12Å; G41-A45 VanDerWaalsContact O-N 3.11Å
42C92.5Very high92.4Very high74 Ų7470.8 Ų70.850%0.539%0.393SS..Hα-helixtrans-67.4-54.6-177.9-176.30000112.4G38 G44 A45 L46G38-C42 WeakPolarHBondContact O-CB 3.47Å; G38-C42 PolarHBondContact O-N 3.41Å; C42-G44 VanDerWaalsContact C-N 3.28Å; C42-G44 PolarHBondContact O-N 3.05Å; C42-A45 PolarHBondContact O-N 3.11Å; C42-L46 WeakPolarHBondContact O-CB 3.23Å; C42-L46 WeakPolarHBondContact O-CG 3.35Å; C42-L46 PolarHBondContact O-N 3.33Å
43C92.7Very high92.4Very high23 Ų2366.8 Ų66.816%0.15537%0.372CS..Hα-helixtrans-66.9-30.8179.1-70.20000112.2F39 R47 L52F39-C43 WeakPolarHBondContact CE2-SG 3.42Å; F39-C43 HydrophobicContact CZ-CB 4.49Å; F39-C43 WeakPolarHBondContact O-CB 3.47Å; F39-C43 PolarHBondContact O-N 3.33Å; C43-R47 VanDerWaalsContact O-CB 3.23Å; C43-R47 WeakPolarHBondContact O-CB 3.43Å; C43-R47 WeakPolarHBondContact O-CG 3.47Å; C43-R47 PolarHBondContact O-N 3.01Å; C43-L52 HydrophobicContact CB-CD2 3.66Å
44G91.2Very high92.5Very high0 Ų066.6 Ų66.60%037%0.371CS..Hα-helixtrans-62.8-45.317600000111.5M40 C42 Q48 S49 L52M40-G44 VanDerWaalsContact O-CA 3.28Å; M40-G44 WeakPolarHBondContact O-CA 3.2Å; M40-G44 PolarHBondContact O-N 2.94Å; C42-G44 VanDerWaalsContact C-N 3.28Å; C42-G44 PolarHBondContact O-N 3.05Å; G44-Q48 WeakPolarHBondContact O-CA 3.28Å; G44-Q48 PolarHBondContact O-N 3.28Å; G44-S49 PolarHBondContact O-N 2.64Å; G44-L52 VanDerWaalsContact N-CD2 3.28Å
45A91.6Very high92.4Very high43 Ų4363.2 Ų63.236%0.35536%0.359SS..Hα-helixtrans-67-51.2174.800000112.2G41 C42 R47 Q48G41-A45 WeakPolarHBondContact O-CB 3.27Å; G41-A45 PolarHBondContact O-N 3.12Å; G41-A45 VanDerWaalsContact O-N 3.11Å; C42-A45 PolarHBondContact O-N 3.11Å; A45-R47 PolarHBondContact O-N 3.18Å; A45-Q48 PolarHBondContact O-N 3.21Å
46L92.2Very high92.4Very high137 Ų13760.8 Ų60.872%0.71734%0.338SS*.Hα-helixtrans-63.8-42.1-177-70.9176.7000112.9C42 Q48C42-L46 WeakPolarHBondContact O-CB 3.23Å; C42-L46 WeakPolarHBondContact O-CG 3.35Å; C42-L46 PolarHBondContact O-N 3.33Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-Q48 PolarHBondContact O-N 3.09Å
47R92Very high92.6Very high201 Ų20158.9 Ų58.976%0.75833%0.326SS*.THydrogen-bonded Turntrans-86.22.1179.6-62.7-174.9173.4-168.4-1.4113.2C43 A45 S49C43-R47 VanDerWaalsContact O-CB 3.23Å; C43-R47 WeakPolarHBondContact O-CB 3.43Å; C43-R47 WeakPolarHBondContact O-CG 3.47Å; C43-R47 PolarHBondContact O-N 3.01Å; A45-R47 PolarHBondContact O-N 3.18Å; R47-S49 PolarHBondContact O-N 3.49Å; R47-S49 VanDerWaalsContact O-N 3.09Å
48Q90.4Very high92.7Very high71 Ų7162 Ų6233%0.33234%0.342SS..THydrogen-bonded Turntrans47.239.4-174.2-62.1-178.7-0.800112.1G44 A45 L46 I228G44-Q48 WeakPolarHBondContact O-CA 3.28Å; G44-Q48 PolarHBondContact O-N 3.28Å; A45-Q48 PolarHBondContact O-N 3.21Å; L46-Q48 VanDerWaalsContact C-N 3.28Å; L46-Q48 PolarHBondContact O-N 3.09Å; Q48-I228 HydrophobicContact CB-CD1 4.06Å; Q48-I228 HydrophobicContact CB-CG1 4.14Å; Q48-I228 HydrophobicContact CB-CG2 4.29Å; Q48-I228 HydrophobicContact CG-CD1 4.47Å; Q48-I228 HydrophobicContact CG-CG1 4.38Å
49S91.6Very high92.8Very high43 Ų4362.9 Ų62.930%0.30134%0.337SS..  trans-94.5104-174.7-179.90000110.2G44 R47 C51 L52 L53G44-S49 PolarHBondContact O-N 2.64Å; R47-S49 PolarHBondContact O-N 3.49Å; R47-S49 VanDerWaalsContact O-N 3.09Å; S49-C51 VanDerWaalsContact C-N 3.29Å; S49-C51 PolarHBondContact O-N 3.47Å; S49-L52 PolarHBondContact O-N 2.88Å; S49-L53 PolarHBondContact O-N 2.93Å; S49-L53 VanDerWaalsContact O-N 3.1Å
50K91.2Very high92.9Very high60 Ų6057.7 Ų57.726%0.26131%0.314SS..Hα-helixtrans-57.6-40.5177.9-64.7-176.2-178.7172.40112.6L52 L53 V54 I228 D229K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3Å; K50-L53 PolarHBondContact O-N 3.12Å; K50-V54 WeakPolarHBondContact O-CB 3.39Å; K50-V54 VanDerWaalsContact O-CG2 3.26Å; K50-V54 WeakPolarHBondContact O-CG2 3.41Å; K50-V54 PolarHBondContact O-N 3.44Å; K50-I228 HydrophobicContact CG-CB 4.47Å; K50-I228 HydrophobicContact CG-CG2 3.9Å; K50-D229 VanDerWaalsContact CE-CA 3.48Å; K50-D229 VanDerWaalsContact NZ-CB 3.34Å; K50-D229 IonicContact NZ-OD1 2.81Å; K50-D229 PolarHBondContact NZ-OD1 2.95Å
51C92.4Very high93.2Very high96 Ų9658.1 Ų58.165%0.64932%0.319SS*.Hα-helixtrans-58.9-46180-1780000111.1S49 L53 V54 S55S49-C51 VanDerWaalsContact C-N 3.29Å; S49-C51 PolarHBondContact O-N 3.47Å; C51-L53 PolarHBondContact O-N 3.49Å; C51-V54 PolarHBondContact O-N 3.42Å; C51-S55 PolarHBondContact O-N 3.44Å; C51-S55 PolarHBondContact O-OG 3.13Å; C51-S55 VanDerWaalsContact O-OG 3.1Å
52L93.6Very high93.4Very high39 Ų3962.5 Ų62.520%0.20434%0.337CS..Hα-helixtrans-68.4-37.5-179.7-168.659.2000112.3M40 C43 G44 S49 K50 S55 F56M40-L52 HydrophobicContact CB-CD1 3.87Å; M40-L52 HydrophobicContact CB-CG 4.2Å; M40-L52 HydrophobicContact CG-CD1 3.66Å; M40-L52 WeakPolarHBondContact O-CG 3.46Å; M40-L52 HydrophobicContact SD-CD1 4.5Å; C43-L52 HydrophobicContact CB-CD2 3.66Å; G44-L52 VanDerWaalsContact N-CD2 3.28Å; S49-L52 PolarHBondContact O-N 2.88Å; K50-L52 VanDerWaalsContact C-N 3.32Å; K50-L52 PolarHBondContact O-N 3Å; L52-S55 PolarHBondContact O-N 3.39Å; L52-F56 PolarHBondContact O-N 2.9Å
53L94.1Very high93.5Very high3 Ų361 Ų612%0.01633%0.326CS..Hα-helixtrans-70.4-36.9178.6-16560.4000112.1S49 K50 C51 F56 F57 T221 L224 C225 I228S49-L53 PolarHBondContact O-N 2.93Å; S49-L53 VanDerWaalsContact O-N 3.1Å; K50-L53 PolarHBondContact O-N 3.12Å; C51-L53 PolarHBondContact O-N 3.49Å; L53-F56 PolarHBondContact O-N 2.85Å; L53-F57 PolarHBondContact O-N 2.98Å; L53-T221 HydrophobicContact CD1-CG2 3.64Å; L53-T221 HydrophobicContact CG-CG2 3.62Å; L53-T221 WeakPolarHBondContact O-CG2 3.17Å; L53-L224 HydrophobicContact CD2-CB 3.68Å; L53-C225 HydrophobicContact CD2-CB 4.23Å; L53-C225 WeakPolarHBondContact CD2-SG 3.38Å; L53-C225 VanDerWaalsContact CG-SG 3.56Å; L53-I228 HydrophobicContact CD2-CD1 4.2Å
54V94.1Very high93.7Very high69 Ų6962.2 Ų62.242%0.41833%0.329SS..Hα-helixtrans-66.4-41.8171.7170.90000111.1K50 C51 F56 F57 L58K50-V54 WeakPolarHBondContact O-CB 3.39Å; K50-V54 VanDerWaalsContact O-CG2 3.26Å; K50-V54 WeakPolarHBondContact O-CG2 3.41Å; K50-V54 PolarHBondContact O-N 3.44Å; C51-V54 PolarHBondContact O-N 3.42Å; V54-F56 VanDerWaalsContact C-N 3.31Å; V54-F56 PolarHBondContact O-N 2.96Å; V54-F57 WeakPolarHBondContact O-CB 3.39Å; V54-F57 PolarHBondContact O-N 3.34Å; V54-L58 HydrophobicContact CG1-CD1 4.25Å; V54-L58 HydrophobicContact CG1-CG 4.43Å; V54-L58 WeakPolarHBondContact O-CG 3.46Å; V54-L58 PolarHBondContact O-N 3.26Å
55S93.7Very high94Very high46 Ų4665.4 Ų65.432%0.32235%0.35SS..Hα-helixtrans-59.3-42.7174-62.10000112C51 L52 L58 L59C51-S55 PolarHBondContact O-N 3.44Å; C51-S55 PolarHBondContact O-OG 3.13Å; C51-S55 VanDerWaalsContact O-OG 3.1Å; L52-S55 PolarHBondContact O-N 3.39Å; S55-L58 PolarHBondContact O-N 3Å; S55-L59 WeakPolarHBondContact O-CG 3.37Å; S55-L59 PolarHBondContact O-N 3.44Å
56F94.7Very high94.2Very high33 Ų3365.7 Ų65.715%0.14535%0.353CS..Hα-helixtrans-59.8-46.2173.7174.8-110.2000112.1L37 M40 L52 L53 V54 L58 L59 L60 T221L37-F56 HydrophobicContact CB-CD2 4.47Å; L37-F56 HydrophobicContact CB-CE2 4.19Å; L37-F56 HydrophobicContact CD2-CD2 3.89Å; L37-F56 HydrophobicContact CD2-CE2 4.03Å; L37-F56 WeakPolarHBondContact O-CD2 3.33Å; M40-F56 HydrophobicContact CB-CB 4.12Å; L52-F56 PolarHBondContact O-N 2.9Å; L53-F56 PolarHBondContact O-N 2.85Å; V54-F56 VanDerWaalsContact C-N 3.31Å; V54-F56 PolarHBondContact O-N 2.96Å; F56-L58 PolarHBondContact O-N 3.31Å; F56-L59 PolarHBondContact O-N 3.29Å; F56-L60 HydrophobicContact CD1-CD1 4.22Å; F56-L60 HydrophobicContact CE1-CD1 3.54Å; F56-L60 HydrophobicContact CE1-CG 4.23Å; F56-L60 HydrophobicContact CE2-CD1 4.18Å; F56-L60 HydrophobicContact CE2-CD2 4.19Å; F56-L60 HydrophobicContact CE2-CG 4.07Å; F56-L60 HydrophobicContact CZ-CD1 3.52Å; F56-L60 HydrophobicContact CZ-CD2 4.19Å; F56-L60 HydrophobicContact CZ-CG 3.93Å; F56-L60 PolarHBondContact O-N 3.02Å; F56-T221 HydrophobicContact CD1-CG2 3.91Å; F56-T221 VanDerWaalsContact CD1-OG1 3.27Å; F56-T221 WeakPolarHBondContact CD1-OG1 3.45Å; F56-T221 WeakPolarHBondContact CE1-OG1 3.3Å
57F95.6Very high94.3Very high45 Ų4562.6 Ų62.620%0.19733%0.334CS..Hα-helixtrans-56.3-48.6175.5179.8-95.8000112.3L53 V54 L59 L60 V61 M218 T221 M222L53-F57 PolarHBondContact O-N 2.98Å; V54-F57 WeakPolarHBondContact O-CB 3.39Å; V54-F57 PolarHBondContact O-N 3.34Å; F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.33Å; F57-L60 PolarHBondContact O-N 2.99Å; F57-V61 HydrophobicContact CD1-CG2 4.15Å; F57-V61 HydrophobicContact CE1-CG2 3.68Å; F57-V61 HydrophobicContact CE2-CG2 4.44Å; F57-V61 HydrophobicContact CZ-CG2 3.84Å; F57-V61 WeakPolarHBondContact O-CG2 3.42Å; F57-V61 PolarHBondContact O-N 3.49Å; F57-M218 HydrophobicContact CD2-CB 4.03Å; F57-M218 HydrophobicContact CD2-CG 4.17Å; F57-M218 HydrophobicContact CE2-CB 3.74Å; F57-M218 HydrophobicContact CE2-CG 4.02Å; F57-T221 HydrophobicContact CB-CG2 3.76Å; F57-T221 HydrophobicContact CD2-CG2 4.41Å; F57-M222 HydrophobicContact CD1-CE 3.65Å; F57-M222 HydrophobicContact CD2-CE 3.62Å; F57-M222 HydrophobicContact CD2-CG 4.04Å; F57-M222 HydrophobicContact CE1-CE 3.4Å; F57-M222 VanDerWaalsContact CE1-CE 3.4Å; F57-M222 HydrophobicContact CE2-CE 3.34Å; F57-M222 HydrophobicContact CE2-CG 3.77Å; F57-M222 HydrophobicContact CE2-SD 4.4Å; F57-M222 HydrophobicContact CG-CE 3.77Å; F57-M222 HydrophobicContact CZ-CE 3.25Å
58L95.5Very high94.5Very high95 Ų9557.3 Ų57.350%0.49732%0.321SS..Hα-helixtrans-62.2-41.3-179.2-69.2175.6000111.8V54 S55 F56 V61 I62V54-L58 HydrophobicContact CG1-CD1 4.25Å; V54-L58 HydrophobicContact CG1-CG 4.43Å; V54-L58 WeakPolarHBondContact O-CG 3.46Å; V54-L58 PolarHBondContact O-N 3.26Å; S55-L58 PolarHBondContact O-N 3Å; F56-L58 PolarHBondContact O-N 3.31Å; L58-V61 PolarHBondContact O-N 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.27Å; L58-I62 PolarHBondContact O-N 2.83Å
59L94.6Very high94.9Very high61 Ų6157.6 Ų57.632%0.31933%0.327SS..Hα-helixtrans-64.1-41.9176-69.7174.1000111.9L37 M40 S55 F56 F57 V61 I62 V63L37-L59 HydrophobicContact CD2-CB 3.58Å; L37-L59 HydrophobicContact CD2-CD1 3.94Å; L37-L59 HydrophobicContact CD2-CG 4.42Å; M40-L59 HydrophobicContact CE-CD1 3.93Å; M40-L59 HydrophobicContact SD-CD1 3.53Å; M40-L59 VanDerWaalsContact SD-CD1 3.53Å; S55-L59 WeakPolarHBondContact O-CG 3.37Å; S55-L59 PolarHBondContact O-N 3.44Å; F56-L59 PolarHBondContact O-N 3.29Å; F57-L59 VanDerWaalsContact C-N 3.34Å; F57-L59 PolarHBondContact O-N 3.33Å; L59-V61 VanDerWaalsContact C-N 3.32Å; L59-V61 PolarHBondContact O-N 3.06Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.32Å
60L95.3Very high95Very high16 Ų1659.6 Ų59.68%0.08434%0.34CS..Hα-helixtrans-60.5-41.9174.3-72.3-175000111.8L37 F56 F57 I62 V63 F64 M218L37-L60 HydrophobicContact CD2-CD2 4.43Å; F56-L60 HydrophobicContact CD1-CD1 4.22Å; F56-L60 HydrophobicContact CE1-CD1 3.54Å; F56-L60 HydrophobicContact CE1-CG 4.23Å; F56-L60 HydrophobicContact CE2-CD1 4.18Å; F56-L60 HydrophobicContact CE2-CD2 4.19Å; F56-L60 HydrophobicContact CE2-CG 4.07Å; F56-L60 HydrophobicContact CZ-CD1 3.52Å; F56-L60 HydrophobicContact CZ-CD2 4.19Å; F56-L60 HydrophobicContact CZ-CG 3.93Å; F56-L60 PolarHBondContact O-N 3.02Å; F57-L60 PolarHBondContact O-N 2.99Å; L60-I62 VanDerWaalsContact C-N 3.33Å; L60-I62 PolarHBondContact O-N 2.95Å; L60-V63 PolarHBondContact O-N 3.25Å; L60-F64 WeakPolarHBondContact O-CB 3.37Å; L60-F64 PolarHBondContact O-N 3.35Å; L60-M218 HydrophobicContact CB-CE 3.94Å; L60-M218 HydrophobicContact CB-CG 3.96Å; L60-M218 HydrophobicContact CD1-CG 4.08Å; L60-M218 WeakPolarHBondContact O-CE 3.39Å
61V96.6Very high95.2Very high48 Ų4858.8 Ų58.829%0.29135%0.349SS..Hα-helixtrans-62.2-42.4177.1171.10000111F57 L58 L59 F64 C65 M218F57-V61 HydrophobicContact CD1-CG2 4.15Å; F57-V61 HydrophobicContact CE1-CG2 3.68Å; F57-V61 HydrophobicContact CE2-CG2 4.44Å; F57-V61 HydrophobicContact CZ-CG2 3.84Å; F57-V61 WeakPolarHBondContact O-CG2 3.42Å; F57-V61 PolarHBondContact O-N 3.49Å; L58-V61 PolarHBondContact O-N 3.32Å; L59-V61 VanDerWaalsContact C-N 3.32Å; L59-V61 PolarHBondContact O-N 3.06Å; V61-F64 PolarHBondContact O-N 2.73Å; V61-C65 WeakPolarHBondContact O-CB 3.41Å; V61-C65 PolarHBondContact O-N 3.36Å; V61-C65 PolarHBondContact O-SG 3.03Å; V61-M218 HydrophobicContact CG2-CE 4.16Å; V61-M218 HydrophobicContact CG2-SD 3.9Å
62I95.8Very high95.4Very high110 Ų11059.6 Ų59.656%0.56435%0.346SS*.Hα-helixtrans-60.8-46.6176.6-69.4165000110.8L58 L59 L60 C65 A66L58-I62 WeakPolarHBondContact O-CG1 3.27Å; L58-I62 PolarHBondContact O-N 2.83Å; L59-I62 PolarHBondContact O-N 3.33Å; L60-I62 VanDerWaalsContact C-N 3.33Å; L60-I62 PolarHBondContact O-N 2.95Å; I62-C65 PolarHBondContact O-N 2.89Å; I62-A66 WeakPolarHBondContact O-CB 3.29Å; I62-A66 PolarHBondContact O-N 3.25Å
63V94.8Very high95.6Very high42 Ų4262 Ų6226%0.25536%0.358SS..Hα-helixtrans-63.5-44.5178.7176.40000111L59 L60 C65 A66 E67L59-V63 WeakPolarHBondContact O-CG2 3.27Å; L59-V63 PolarHBondContact O-N 3.32Å; L60-V63 PolarHBondContact O-N 3.25Å; V63-C65 PolarHBondContact O-N 2.91Å; V63-A66 WeakPolarHBondContact O-CB 3.06Å; V63-A66 PolarHBondContact O-N 2.96Å; V63-A66 VanDerWaalsContact O-N 3.12Å; V63-E67 HydrophobicContact CG1-CG 4.42Å; V63-E67 WeakPolarHBondContact O-CG 3.48Å; V63-E67 PolarHBondContact O-N 3.47Å
64F96.4Very high95.5Very high49 Ų4964.5 Ų64.522%0.21538%0.379CS..Hα-helixtrans-60.3-45.2177.5-179.3-104.1000112.1L60 V61 A66 E67 L68 L215 M218L60-F64 WeakPolarHBondContact O-CB 3.37Å; L60-F64 PolarHBondContact O-N 3.35Å; V61-F64 PolarHBondContact O-N 2.73Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 2.93Å; F64-E67 PolarHBondContact O-N 3.18Å; F64-L68 HydrophobicContact CD1-CD1 3.93Å; F64-L68 HydrophobicContact CD1-CG 4.48Å; F64-L68 HydrophobicContact CE1-CD1 3.41Å; F64-L68 VanDerWaalsContact CE1-CD1 3.41Å; F64-L68 HydrophobicContact CE1-CG 4.16Å; F64-L68 HydrophobicContact CZ-CD1 3.77Å; F64-L68 HydrophobicContact CZ-CD2 4.39Å; F64-L68 HydrophobicContact CZ-CG 4.19Å; F64-L68 WeakPolarHBondContact O-CG 3.13Å; F64-L68 PolarHBondContact O-N 2.87Å; F64-L215 HydrophobicContact CE2-CD1 4.43Å; F64-L215 HydrophobicContact CE2-CD2 4.29Å; F64-L215 HydrophobicContact CE2-CG 4.21Å; F64-L215 HydrophobicContact CZ-CD2 4.23Å; F64-M218 HydrophobicContact CB-CE 3.61Å; F64-M218 HydrophobicContact CG-CE 4.08Å
65C97.1Very high95.5Very high66 Ų6670 Ų7045%0.44639%0.394SS..Hα-helixtrans-62.7-38.5174.6-70.80000112.2V61 I62 V63 T69V61-C65 WeakPolarHBondContact O-CB 3.41Å; V61-C65 PolarHBondContact O-N 3.36Å; V61-C65 PolarHBondContact O-SG 3.03Å; I62-C65 PolarHBondContact O-N 2.89Å; V63-C65 PolarHBondContact O-N 2.91Å; C65-T69 WeakPolarHBondContact O-CB 3.45Å; C65-T69 PolarHBondContact O-N 2.94Å; C65-T69 PolarHBondContact O-OG1 3.35Å
66A95.8Very high95.7Very high50 Ų5071 Ų7141%0.41341%0.405SS..Hα-helixtrans-65.3-43.7176.100000111.5I62 V63 F64 T69 C70I62-A66 WeakPolarHBondContact O-CB 3.29Å; I62-A66 PolarHBondContact O-N 3.25Å; V63-A66 WeakPolarHBondContact O-CB 3.06Å; V63-A66 PolarHBondContact O-N 2.96Å; V63-A66 VanDerWaalsContact O-N 3.12Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 2.93Å; A66-T69 PolarHBondContact O-N 2.95Å; A66-C70 WeakPolarHBondContact O-CB 3.44Å; A66-C70 PolarHBondContact O-N 3.39Å; A66-C70 PolarHBondContact O-SG 3.48Å
67E95.3Very high95.8Very high71 Ų7173.3 Ų73.333%0.33242%0.416SS..Hα-helixtrans-61.8-45.5176-74.8177.4-173.300112.3V63 F64 T69 C70 G71 I210 Q214V63-E67 HydrophobicContact CG1-CG 4.42Å; V63-E67 WeakPolarHBondContact O-CG 3.48Å; V63-E67 PolarHBondContact O-N 3.47Å; F64-E67 PolarHBondContact O-N 3.18Å; E67-T69 VanDerWaalsContact C-N 3.31Å; E67-T69 PolarHBondContact O-N 2.88Å; E67-C70 PolarHBondContact O-N 3.23Å; E67-G71 PolarHBondContact O-N 3.4Å; E67-I210 WeakPolarHBondContact OE1-CG2 3.42Å; E67-I210 WeakPolarHBondContact OE2-CG2 3.36Å; E67-Q214 PolarHBondContact OE1-NE2 3.22Å; E67-Q214 PolarHBondContact OE2-NE2 3.29Å; E67-Q214 PolarHBondContact OE2-OE1 3.45Å; E67-Q214 VanDerWaalsContact OE2-OE1 3.13Å
68L96.3Very high95.7Very high91 Ų9174.8 Ų74.848%0.47642%0.423SS..Hα-helixtrans-59.6-43.5174.2-72.1-178.9000111.6F64 G71 I72F64-L68 HydrophobicContact CD1-CD1 3.93Å; F64-L68 HydrophobicContact CD1-CG 4.48Å; F64-L68 HydrophobicContact CE1-CD1 3.41Å; F64-L68 VanDerWaalsContact CE1-CD1 3.41Å; F64-L68 HydrophobicContact CE1-CG 4.16Å; F64-L68 HydrophobicContact CZ-CD1 3.77Å; F64-L68 HydrophobicContact CZ-CD2 4.39Å; F64-L68 HydrophobicContact CZ-CG 4.19Å; F64-L68 WeakPolarHBondContact O-CG 3.13Å; F64-L68 PolarHBondContact O-N 2.87Å; L68-G71 PolarHBondContact O-N 3.46Å; L68-I72 WeakPolarHBondContact O-CD1 3.46Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.38Å
69T97.5Very high95.6Very high76 Ų7677.3 Ų77.347%0.46643%0.433SS..Hα-helixtrans-63.9-46.1178.2-56.80000111.1C65 A66 E67 G71 I72 L73C65-T69 WeakPolarHBondContact O-CB 3.45Å; C65-T69 PolarHBondContact O-N 2.94Å; C65-T69 PolarHBondContact O-OG1 3.35Å; A66-T69 PolarHBondContact O-N 2.95Å; E67-T69 VanDerWaalsContact C-N 3.31Å; E67-T69 PolarHBondContact O-N 2.88Å; T69-G71 VanDerWaalsContact C-N 3.33Å; T69-G71 PolarHBondContact O-N 2.85Å; T69-I72 PolarHBondContact O-N 2.9Å; T69-L73 HydrophobicContact CG2-CD1 3.95Å; T69-L73 HydrophobicContact CG2-CG 4.34Å; T69-L73 WeakPolarHBondContact O-CB 3.48Å; T69-L73 WeakPolarHBondContact O-CG 3.42Å; T69-L73 PolarHBondContact O-N 2.7Å
70C95Very high95.6Very high85 Ų8580 Ų8057%0.57444%0.443SS*.Hα-helixtrans-58.5-43.9175.1-73.30000111.8A66 E67 L73 A74A66-C70 WeakPolarHBondContact O-CB 3.44Å; A66-C70 PolarHBondContact O-N 3.39Å; A66-C70 PolarHBondContact O-SG 3.48Å; E67-C70 PolarHBondContact O-N 3.23Å; C70-L73 PolarHBondContact O-N 2.91Å; C70-A74 VanDerWaalsContact O-CB 3.25Å; C70-A74 WeakPolarHBondContact O-CB 3.44Å; C70-A74 PolarHBondContact O-N 3.49Å
71G95.1Very high95.5Very high43 Ų4382.4 Ų82.444%0.44346%0.459SS..Hα-helixtrans-62.2-45.5176.600000112.9E67 L68 T69 A74 Y75E67-G71 PolarHBondContact O-N 3.4Å; L68-G71 PolarHBondContact O-N 3.46Å; T69-G71 VanDerWaalsContact C-N 3.33Å; T69-G71 PolarHBondContact O-N 2.85Å; G71-A74 PolarHBondContact O-N 2.85Å; G71-Y75 WeakPolarHBondContact O-CB 3.24Å; G71-Y75 PolarHBondContact O-N 2.89Å
72I96.5Very high95.4Very high114 Ų11482.7 Ų82.759%0.58546%0.457SS*.Hα-helixtrans-63-46.6177-68.3161.4000110.8L68 T69 Y75 A76L68-I72 WeakPolarHBondContact O-CD1 3.46Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.45Å; L68-I72 PolarHBondContact O-N 3.38Å; T69-I72 PolarHBondContact O-N 2.9Å; I72-Y75 PolarHBondContact O-N 3.09Å; I72-A76 VanDerWaalsContact O-CB 3.27Å; I72-A76 WeakPolarHBondContact O-CB 3.2Å; I72-A76 PolarHBondContact O-N 3.17Å
73L96.9Very high95.4Very high89 Ų8983.5 Ų83.547%0.46646%0.459SS..Hα-helixtrans-65-41.6179.5-71.5175.5000111.9T69 C70 Y75 A76 H77T69-L73 HydrophobicContact CG2-CD1 3.95Å; T69-L73 HydrophobicContact CG2-CG 4.34Å; T69-L73 WeakPolarHBondContact O-CB 3.48Å; T69-L73 WeakPolarHBondContact O-CG 3.42Å; T69-L73 PolarHBondContact O-N 2.7Å; C70-L73 PolarHBondContact O-N 2.91Å; L73-Y75 VanDerWaalsContact C-N 3.3Å; L73-Y75 PolarHBondContact O-N 3.34Å; L73-A76 PolarHBondContact O-N 2.85Å; L73-H77 WeakPolarHBondContact O-CB 3.49Å; L73-H77 PolarHBondContact O-CD2 2.92Å; L73-H77 PolarHBondContact O-N 3.12Å
74A93.8Very high95.4Very high55 Ų5589.8 Ų89.846%0.45548%0.479SS..Hα-helixtrans-61.7-38.9176.300000112C70 G71 Q78C70-A74 VanDerWaalsContact O-CB 3.25Å; C70-A74 WeakPolarHBondContact O-CB 3.44Å; C70-A74 PolarHBondContact O-N 3.49Å; G71-A74 PolarHBondContact O-N 2.85Å; A74-Q78 WeakPolarHBondContact O-CA 3.31Å; A74-Q78 PolarHBondContact O-N 3.25Å
75Y93.6Very high95.4Very high186 Ų18690 Ų9073%0.72948%0.482SS*.Hα-helixtrans-71.3-47.7175.3-178.5-102.4000112.3G71 I72 L73 H77 Q78G71-Y75 WeakPolarHBondContact O-CB 3.24Å; G71-Y75 PolarHBondContact O-N 2.89Å; I72-Y75 PolarHBondContact O-N 3.09Å; L73-Y75 VanDerWaalsContact C-N 3.3Å; L73-Y75 PolarHBondContact O-N 3.34Å; Y75-H77 VanDerWaalsContact C-N 3.3Å; Y75-H77 PolarHBondContact O-N 3.44Å; Y75-Q78 PolarHBondContact O-N 3.37Å
76A97.6Very high95.4Very high67 Ų6789.3 Ų89.355%0.55447%0.472SS*.Hα-helixtrans-64.8-33.3-178.500000112.8I72 L73I72-A76 VanDerWaalsContact O-CB 3.27Å; I72-A76 WeakPolarHBondContact O-CB 3.2Å; I72-A76 PolarHBondContact O-N 3.17Å; L73-A76 PolarHBondContact O-N 2.85Å
77H96.1Very high95.5Very high81 Ų8194.5 Ų94.538%0.37549%0.485SS..THydrogen-bonded Turntrans-108.529-179.3-62.2-73.8000112.8L73 Y75 E79 Q80 V81L73-H77 WeakPolarHBondContact O-CB 3.49Å; L73-H77 PolarHBondContact O-CD2 2.92Å; L73-H77 PolarHBondContact O-N 3.12Å; Y75-H77 VanDerWaalsContact C-N 3.3Å; Y75-H77 PolarHBondContact O-N 3.44Å; H77-E79 VanDerWaalsContact C-N 3.3Å; H77-E79 PolarHBondContact O-N 3.48Å; H77-Q80 HydrophobicContact CB-CB 4.36Å; H77-Q80 PolarHBondContact ND1-OE1 3.39Å; H77-Q80 PolarHBondContact O-N 3.46Å; H77-V81 WeakPolarHBondContact O-CG2 3.36Å; H77-V81 PolarHBondContact O-N 2.89Å
78Q93.3Very high95.4Very high75 Ų7593.8 Ų93.835%0.3549%0.488SS..Hα-helixtrans-53.6-44.7-176.1-172-172.1-68.300112.4A74 Y75 Q80 V81 Q82 Y197A74-Q78 WeakPolarHBondContact O-CA 3.31Å; A74-Q78 PolarHBondContact O-N 3.25Å; Y75-Q78 PolarHBondContact O-N 3.37Å; Q78-Q80 VanDerWaalsContact C-N 3.31Å; Q78-Q80 PolarHBondContact O-N 3.42Å; Q78-V81 WeakPolarHBondContact O-CB 3.41Å; Q78-V81 PolarHBondContact O-N 3.05Å; Q78-Q82 VanDerWaalsContact O-CG 3.32Å; Q78-Q82 WeakPolarHBondContact O-CG 3.25Å; Q78-Q82 PolarHBondContact O-N 3.43Å; Q78-Y197 PolarHBondContact NE2-OH 2.96Å
79E94.5Very high95.4Very high148 Ų14890.4 Ų90.469%0.69247%0.47SS*.Hα-helixtrans-61.9-38.1179.3-63.8-174.3163.800112.6H77 Q82 Q83H77-E79 VanDerWaalsContact C-N 3.3Å; H77-E79 PolarHBondContact O-N 3.48Å; E79-Q82 WeakPolarHBondContact O-CB 3.39Å; E79-Q82 PolarHBondContact O-N 3.28Å; E79-Q83 WeakPolarHBondContact O-CG 3.43Å; E79-Q83 PolarHBondContact O-N 2.88Å
80Q95.2Very high95.4Very high117 Ų11789 Ų8955%0.54746%0.457SS..Hα-helixtrans-70-40.1178.6-63.3178.7-3.300111.2H77 Q78 Q82 Q83 Y84H77-Q80 HydrophobicContact CB-CB 4.36Å; H77-Q80 PolarHBondContact ND1-OE1 3.39Å; H77-Q80 PolarHBondContact O-N 3.46Å; Q78-Q80 VanDerWaalsContact C-N 3.31Å; Q78-Q80 PolarHBondContact O-N 3.42Å; Q80-Q82 PolarHBondContact O-N 2.9Å; Q80-Q83 PolarHBondContact O-N 3.23Å; Q80-Y84 WeakPolarHBondContact O-CB 3.33Å; Q80-Y84 PolarHBondContact O-N 2.89Å
81V92.7Very high95.4Very high68 Ų6887.7 Ų87.741%0.41244%0.444SS..Hα-helixtrans-58.6-41.7171.2175.40000109.6H77 Q78 Y84 I85H77-V81 WeakPolarHBondContact O-CG2 3.36Å; H77-V81 PolarHBondContact O-N 2.89Å; Q78-V81 WeakPolarHBondContact O-CB 3.41Å; Q78-V81 PolarHBondContact O-N 3.05Å; V81-Y84 PolarHBondContact O-N 3.44Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 WeakPolarHBondContact O-CG1 3.43Å; V81-I85 PolarHBondContact O-N 2.83Å
82Q93.7Very high95.4Very high54 Ų5486.1 Ų86.125%0.25243%0.426SS..Hα-helixtrans-63.6-45.4178.7-68.8-173.4-46.400113.2Q78 E79 Q80 Y84 I85 E86 Y193Q78-Q82 VanDerWaalsContact O-CG 3.32Å; Q78-Q82 WeakPolarHBondContact O-CG 3.25Å; Q78-Q82 PolarHBondContact O-N 3.43Å; E79-Q82 WeakPolarHBondContact O-CB 3.39Å; E79-Q82 PolarHBondContact O-N 3.28Å; Q80-Q82 PolarHBondContact O-N 2.9Å; Q82-Y84 VanDerWaalsContact C-N 3.33Å; Q82-Y84 PolarHBondContact O-N 3.45Å; Q82-I85 PolarHBondContact O-N 3.26Å; Q82-E86 WeakPolarHBondContact O-CB 3.41Å; Q82-E86 PolarHBondContact O-N 3.42Å; Q82-Y193 WeakPolarHBondContact CA-OH 3.26Å; Q82-Y193 HydrophobicContact CB-CE2 4.44Å; Q82-Y193 HydrophobicContact CG-CE1 3.73Å; Q82-Y193 HydrophobicContact CG-CE2 4.21Å
83Q96.4Very high95.3Very high127 Ų12780.7 Ų80.759%0.59340%0.398SS*.Hα-helixtrans-63.6-37.8176.3-71.9173.8-8.800112.5E79 Q80 E86 K87E79-Q83 WeakPolarHBondContact O-CG 3.43Å; E79-Q83 PolarHBondContact O-N 2.88Å; Q80-Q83 PolarHBondContact O-N 3.23Å; Q83-E86 PolarHBondContact O-N 3.09Å; Q83-K87 WeakPolarHBondContact O-CB 3.48Å; Q83-K87 PolarHBondContact O-N 3.37Å
84Y94.7Very high95.2Very high173 Ų17378.5 Ų78.568%0.67839%0.386SS*.Hα-helixtrans-63.4-46.4176.7-179.9-93.7000111.5Q80 V81 Q82 K87 S88Q80-Y84 WeakPolarHBondContact O-CB 3.33Å; Q80-Y84 PolarHBondContact O-N 2.89Å; V81-Y84 PolarHBondContact O-N 3.44Å; Q82-Y84 VanDerWaalsContact C-N 3.33Å; Q82-Y84 PolarHBondContact O-N 3.45Å; Y84-K87 PolarHBondContact O-N 2.82Å; Y84-S88 WeakPolarHBondContact O-CB 3.32Å; Y84-S88 PolarHBondContact O-N 3.49Å
85I95.8Very high95.1Very high55 Ų5580 Ų8028%0.28239%0.387SS..Hα-helixtrans-62.5-45.4176.6-67.3167.5000110.4V81 Q82 K87 S88 M89 L189 Y193V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 WeakPolarHBondContact O-CG1 3.43Å; V81-I85 PolarHBondContact O-N 2.83Å; Q82-I85 PolarHBondContact O-N 3.26Å; I85-K87 PolarHBondContact O-N 3.25Å; I85-S88 PolarHBondContact O-N 2.96Å; I85-M89 HydrophobicContact CG2-CE 3.74Å; I85-M89 HydrophobicContact CG2-CG 4.46Å; I85-M89 HydrophobicContact CG2-SD 4.38Å; I85-M89 WeakPolarHBondContact O-CG 3.4Å; I85-M89 PolarHBondContact O-N 3.17Å; I85-L189 HydrophobicContact CG2-CD1 3.94Å; I85-Y193 WeakPolarHBondContact CD1-OH 3.28Å
86E97.5Very high94.9Very high51 Ų5172.8 Ų72.824%0.23836%0.358CS..Hα-helixtrans-56.8-49.2176.5177.5174160.400111.6Q82 Q83 S88 M89 Y90 V119 K120 L189Q82-E86 WeakPolarHBondContact O-CB 3.41Å; Q82-E86 PolarHBondContact O-N 3.42Å; Q83-E86 PolarHBondContact O-N 3.09Å; E86-S88 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 2.91Å; E86-M89 PolarHBondContact O-N 3.48Å; E86-Y90 HydrophobicContact CG-CD2 3.73Å; E86-Y90 HydrophobicContact CG-CE2 3.69Å; E86-Y90 WeakPolarHBondContact O-CD2 3.29Å; E86-Y90 PolarHBondContact O-N 3Å; E86-V119 HydrophobicContact CG-CG1 4.33Å; E86-K120 VanDerWaalsContact CD-CE 3.49Å; E86-K120 WeakPolarHBondContact OE1-CE 3.42Å; E86-K120 IonicContact OE1-NZ 3.18Å; E86-K120 PolarHBondContact OE1-NZ 2.94Å; E86-K120 IonicContact OE2-NZ 3.55Å; E86-L189 HydrophobicContact CB-CD1 3.99Å; E86-L189 HydrophobicContact CB-CD2 3.72Å; E86-L189 HydrophobicContact CG-CD2 3.72Å
87K97.1Very high94.7Very high159 Ų15970.2 Ų70.269%0.69133%0.334SS*.Hα-helixtrans-61.4-42.2178.6-176.4178.5177.7-1780112.1Q83 Y84 I85 Y90 D91Q83-K87 WeakPolarHBondContact O-CB 3.48Å; Q83-K87 PolarHBondContact O-N 3.37Å; Y84-K87 PolarHBondContact O-N 2.82Å; I85-K87 PolarHBondContact O-N 3.25Å; K87-Y90 PolarHBondContact O-N 3.45Å; K87-D91 PolarHBondContact O-N 3.22Å
88S94.1Very high94.4Very high56 Ų5668.2 Ų68.239%0.39234%0.335SS..Hα-helixtrans-64.6-40.9177.5176.40000112.1Y84 I85 E86 D91 T92Y84-S88 WeakPolarHBondContact O-CB 3.32Å; Y84-S88 PolarHBondContact O-N 3.49Å; I85-S88 PolarHBondContact O-N 2.96Å; E86-S88 VanDerWaalsContact C-N 3.34Å; E86-S88 PolarHBondContact O-N 2.91Å; S88-D91 PolarHBondContact O-N 3.46Å; S88-T92 PolarHBondContact O-N 3.43Å; S88-T92 PolarHBondContact O-OG1 3.31Å
89M97Very high94.1Very high19 Ų1968.1 Ų68.19%0.09434%0.34CS..Hα-helixtrans-63.9-42.6173.8-72.1-173.3-179.200111.7I85 E86 T92 V93 F107 V119 L189 V192I85-M89 HydrophobicContact CG2-CE 3.74Å; I85-M89 HydrophobicContact CG2-CG 4.46Å; I85-M89 HydrophobicContact CG2-SD 4.38Å; I85-M89 WeakPolarHBondContact O-CG 3.4Å; I85-M89 PolarHBondContact O-N 3.17Å; E86-M89 PolarHBondContact O-N 3.48Å; M89-T92 WeakPolarHBondContact O-CB 3.3Å; M89-T92 PolarHBondContact O-N 2.87Å; M89-V93 WeakPolarHBondContact O-CG2 3.32Å; M89-V93 PolarHBondContact O-N 2.95Å; M89-F107 HydrophobicContact CB-CE2 4.24Å; M89-F107 HydrophobicContact CG-CE2 4.26Å; M89-V119 HydrophobicContact CB-CB 4.45Å; M89-V119 HydrophobicContact CB-CG1 3.84Å; M89-V119 HydrophobicContact CB-CG2 3.86Å; M89-V119 HydrophobicContact SD-CG1 4.37Å; M89-L189 HydrophobicContact CE-CD1 4.35Å; M89-L189 HydrophobicContact SD-CB 4.08Å; M89-L189 HydrophobicContact SD-CD1 3.79Å; M89-V192 HydrophobicContact CE-CB 4.35Å; M89-V192 HydrophobicContact CE-CG2 3.96Å
90Y97.6Very high93.7Very high48 Ų4861.8 Ų61.819%0.18831%0.311CS..Hα-helixtrans-62.9-43.8175.9-88.1-64000112.2E86 K87 T92 V93 I94 V119 K120 D124E86-Y90 HydrophobicContact CG-CD2 3.73Å; E86-Y90 HydrophobicContact CG-CE2 3.69Å; E86-Y90 WeakPolarHBondContact O-CD2 3.29Å; E86-Y90 PolarHBondContact O-N 3Å; K87-Y90 PolarHBondContact O-N 3.45Å; Y90-T92 PolarHBondContact O-N 3.07Å; Y90-V93 PolarHBondContact O-N 2.99Å; Y90-I94 HydrophobicContact CD1-CD1 3.92Å; Y90-I94 HydrophobicContact CD1-CG1 4.48Å; Y90-I94 VanDerWaalsContact O-CB 3.27Å; Y90-I94 WeakPolarHBondContact O-CB 3.49Å; Y90-I94 VanDerWaalsContact O-CG1 3.28Å; Y90-I94 WeakPolarHBondContact O-CG1 3.49Å; Y90-I94 PolarHBondContact O-N 3.35Å; Y90-V119 HydrophobicContact CD1-CB 4.12Å; Y90-V119 HydrophobicContact CD1-CG2 3.67Å; Y90-V119 HydrophobicContact CD2-CB 4.23Å; Y90-V119 HydrophobicContact CD2-CG1 3.83Å; Y90-V119 HydrophobicContact CD2-CG2 4.26Å; Y90-V119 HydrophobicContact CE1-CB 3.85Å; Y90-V119 HydrophobicContact CE1-CG1 4.45Å; Y90-V119 HydrophobicContact CE1-CG2 3.88Å; Y90-V119 HydrophobicContact CE2-CB 3.97Å; Y90-V119 HydrophobicContact CE2-CG1 3.65Å; Y90-V119 HydrophobicContact CE2-CG2 4.44Å; Y90-V119 HydrophobicContact CG-CB 4.3Å; Y90-V119 HydrophobicContact CG-CG1 4.3Å; Y90-V119 HydrophobicContact CG-CG2 3.87Å; Y90-K120 WeakPolarHBondContact OH-CD 3.32Å; Y90-K120 WeakPolarHBondContact OH-CG 3.35Å; Y90-D124 HydrophobicContact CE1-CB 4.11Å; Y90-D124 PolarHBondContact OH-OD1 2.9Å; Y90-D124 VanDerWaalsContact OH-OD1 3.14Å
91D94.3Very high93.5Very high56 Ų5663.4 Ų63.430%0.29932%0.316SS..Hα-helixtrans-58.6-41.1174.5-170.964.5000111.3K87 S88 N95 R96K87-D91 PolarHBondContact O-N 3.22Å; S88-D91 PolarHBondContact O-N 3.46Å; D91-N95 WeakPolarHBondContact O-CA 3.45Å; D91-N95 WeakPolarHBondContact O-CB 3.32Å; D91-N95 PolarHBondContact O-N 2.87Å; D91-N95 PolarHBondContact OD1-ND2 2.9Å; D91-R96 PolarHBondContact O-N 3.29Å; D91-R96 IonicContact OD2-CZ 2.87Å; D91-R96 IonicContact OD2-NE 3.06Å; D91-R96 PolarHBondContact OD2-NE 3.37Å; D91-R96 VanDerWaalsContact OD2-NE 3.14Å; D91-R96 IonicContact OD2-NH2 2.95Å
92T94.1Very high93.3Very high11 Ų1162.2 Ų62.27%0.06731%0.313CS..Iπ-helixtrans-61.8-52.6176.9-58.20000111.7S88 M89 Y90 R96 Y97 Y103 F107S88-T92 PolarHBondContact O-N 3.43Å; S88-T92 PolarHBondContact O-OG1 3.31Å; M89-T92 WeakPolarHBondContact O-CB 3.3Å; M89-T92 PolarHBondContact O-N 2.87Å; Y90-T92 PolarHBondContact O-N 3.07Å; T92-R96 CarbonylContact O-C 3.46Å; T92-R96 PolarHBondContact O-N 2.91Å; T92-Y97 WeakPolarHBondContact O-CB 3.33Å; T92-Y97 PolarHBondContact O-N 3.46Å; T92-Y103 HydrophobicContact CG2-CD1 4.02Å; T92-F107 HydrophobicContact CG2-CB 4.12Å; T92-F107 HydrophobicContact CG2-CD2 3.68Å; T92-F107 HydrophobicContact CG2-CE2 4.43Å; T92-F107 HydrophobicContact CG2-CG 4.1Å
93V95.7Very high93.2Very high0 Ų062.6 Ų62.60%031%0.312CS..Iπ-helixtrans-65.3-44.7-178170.80000111.7M89 Y90 F107 V119 D124 W125 S128M89-V93 WeakPolarHBondContact O-CG2 3.32Å; M89-V93 PolarHBondContact O-N 2.95Å; Y90-V93 PolarHBondContact O-N 2.99Å; V93-F107 HydrophobicContact CG2-CD1 4.14Å; V93-F107 HydrophobicContact CG2-CE1 3.4Å; V93-F107 HydrophobicContact CG2-CE2 3.84Å; V93-F107 HydrophobicContact CG2-CZ 3.23Å; V93-V119 HydrophobicContact CB-CG2 4.25Å; V93-V119 HydrophobicContact CG2-CG2 3.78Å; V93-D124 HydrophobicContact CG1-CB 4.48Å; V93-W125 HydrophobicContact CB-CH2 4.43Å; V93-W125 HydrophobicContact CG1-CD2 3.93Å; V93-W125 HydrophobicContact CG1-CE3 3.92Å; V93-W125 HydrophobicContact CG1-CH2 4.04Å; V93-W125 HydrophobicContact CG1-CZ2 4.08Å; V93-W125 HydrophobicContact CG1-CZ3 3.98Å; V93-W125 HydrophobicContact CG2-CH2 4.28Å; V93-W125 HydrophobicContact CG2-CZ2 4.14Å; V93-S128 WeakPolarHBondContact O-CB 3.12Å
94I93.9Very high93.1Very high42 Ų4257.5 Ų57.522%0.21529%0.29CS..Iπ-helixtrans-79.6-48-172.1-62.6173.2000111Y90 Y129Y90-I94 HydrophobicContact CD1-CD1 3.92Å; Y90-I94 HydrophobicContact CD1-CG1 4.48Å; Y90-I94 VanDerWaalsContact O-CB 3.27Å; Y90-I94 WeakPolarHBondContact O-CB 3.49Å; Y90-I94 VanDerWaalsContact O-CG1 3.28Å; Y90-I94 WeakPolarHBondContact O-CG1 3.49Å; Y90-I94 PolarHBondContact O-N 3.35Å; I94-Y129 WeakPolarHBondContact O-CB 3.18Å; I94-Y129 PolarHBondContact O-N 3.25Å
95N91.6Very high93.1Very high88 Ų8854.1 Ų54.147%0.47128%0.281SS..Iπ-helixtrans-108.3-34.1-165.2-59.5-47000114.1D91D91-N95 WeakPolarHBondContact O-CA 3.45Å; D91-N95 WeakPolarHBondContact O-CB 3.32Å; D91-N95 PolarHBondContact O-N 2.87Å; D91-N95 PolarHBondContact OD1-ND2 2.9Å
96R90.3Very high93.1Very high34 Ų3455.8 Ų55.813%0.12829%0.293CS..Iπ-helixtrans-100.3-29.3-169.9-52.1-66-178.1168.51.1113.9E15 D91 T92 G98 V99 D100 Y103E15-R96 IonicContact OE1-CZ 2.57Å; E15-R96 IonicContact OE1-NH2 2.64Å; E15-R96 PolarHBondContact OE1-NH2 3.04Å; E15-R96 IonicContact OE2-CZ 3.57Å; E15-R96 IonicContact OE2-NH1 3.14Å; E15-R96 PolarHBondContact OE2-NH1 3.02Å; E15-R96 IonicContact OE2-NH2 3.9Å; E15-R96 PolarHBondContact OE2-NH2 2.94Å; D91-R96 PolarHBondContact O-N 3.29Å; D91-R96 IonicContact OD2-CZ 2.87Å; D91-R96 IonicContact OD2-NE 3.06Å; D91-R96 PolarHBondContact OD2-NE 3.37Å; D91-R96 VanDerWaalsContact OD2-NE 3.14Å; D91-R96 IonicContact OD2-NH2 2.95Å; T92-R96 CarbonylContact O-C 3.46Å; T92-R96 PolarHBondContact O-N 2.91Å; R96-G98 PolarHBondContact O-N 2.87Å; R96-V99 WeakPolarHBondContact O-CB 3.34Å; R96-V99 PolarHBondContact O-N 3.28Å; R96-D100 PolarHBondContact O-N 3.31Å; R96-Y103 HydrophobicContact CB-CG 4.17Å
97Y92.7Very high93.1Very high12 Ų1253.6 Ų53.65%0.04728%0.283CS..THydrogen-bonded Turntrans-64.7131.9-175.4-172.6-81.6000111.7T92 V99 T104 F107 D108 W125 Y130 P151T92-Y97 WeakPolarHBondContact O-CB 3.33Å; T92-Y97 PolarHBondContact O-N 3.46Å; Y97-V99 PolarHBondContact O-N 3.23Å; Y97-T104 HydrophobicContact CD2-CG2 4.09Å; Y97-T104 HydrophobicContact CE1-CG2 4.29Å; Y97-T104 HydrophobicContact CE2-CG2 3.62Å; Y97-F107 HydrophobicContact CD2-CB 4.42Å; Y97-D108 WeakPolarHBondContact CE2-OD1 3.19Å; Y97-D108 PolarHBondContact OH-OD1 3.07Å; Y97-D108 VanDerWaalsContact OH-OD1 3.04Å; Y97-D108 PolarHBondContact OH-OD2 3.33Å; Y97-W125 AromaticContact CD1-CH2 3.66Å; Y97-W125 HydrophobicContact CD1-CH2 3.66Å; Y97-W125 AromaticContact CD1-CZ3 3.45Å; Y97-W125 HydrophobicContact CD1-CZ3 3.45Å; Y97-W125 VanDerWaalsContact CD1-CZ3 3.45Å; Y97-W125 AromaticContact CD2-CH2 3.47Å; Y97-W125 HydrophobicContact CD2-CH2 3.47Å; Y97-W125 VanDerWaalsContact CD2-CH2 3.47Å; Y97-W125 HydrophobicContact CD2-CZ2 4.46Å; Y97-W125 HydrophobicContact CD2-CZ3 4.13Å; Y97-W125 HydrophobicContact CE1-CH2 4.09Å; Y97-W125 HydrophobicContact CE1-CZ3 4.05Å; Y97-W125 AromaticContact CE2-CH2 3.87Å; Y97-W125 HydrophobicContact CE2-CH2 3.87Å; Y97-W125 AromaticContact CG-CH2 3.35Å; Y97-W125 HydrophobicContact CG-CH2 3.35Å; Y97-W125 AromaticContact CG-CZ3 3.52Å; Y97-W125 HydrophobicContact CG-CZ3 3.52Å; Y97-Y130 HydrophobicContact CD1-CD1 4.2Å; Y97-Y130 AromaticContact CD1-CD2 3.71Å; Y97-Y130 HydrophobicContact CD1-CD2 3.71Å; Y97-Y130 HydrophobicContact CD1-CE2 4.36Å; Y97-Y130 AromaticContact CD1-CG 3.61Å; Y97-Y130 HydrophobicContact CD1-CG 3.61Å; Y97-Y130 HydrophobicContact CE1-CD1 4.07Å; Y97-Y130 AromaticContact CE1-CD2 3.58Å; Y97-Y130 HydrophobicContact CE1-CD2 3.58Å; Y97-Y130 HydrophobicContact CE1-CE1 4.24Å; Y97-Y130 AromaticContact CE1-CE2 3.76Å; Y97-Y130 HydrophobicContact CE1-CE2 3.76Å; Y97-Y130 AromaticContact CE1-CG 3.73Å; Y97-Y130 HydrophobicContact CE1-CG 3.73Å; Y97-P151 HydrophobicContact CD1-CG 4.37Å; Y97-P151 HydrophobicContact CE1-CB 4.36Å; Y97-P151 HydrophobicContact CE1-CG 3.6Å; Y97-P151 HydrophobicContact CE2-CB 4.41Å; Y97-P151 HydrophobicContact CE2-CG 3.88Å; Y97-P151 VanDerWaalsContact OH-CB 3.23Å; Y97-P151 WeakPolarHBondContact OH-CB 3.38Å; Y97-P151 WeakPolarHBondContact OH-CG 3.4Å
98G89.6Confident93.1Very high39 Ų3948.1 Ų48.140%0.40226%0.261SS..THydrogen-bonded Turntrans76.4-9.2-174.800000114.7R96 T104R96-G98 PolarHBondContact O-N 2.87Å; G98-T104 PolarHBondContact N-OG1 3.34Å
99V87.8Confident93.3Very high74 Ų7449.1 Ų49.145%0.44827%0.268SS..THydrogen-bonded Turntrans-100-49.2174.3-178.70000110.1R96 Y97 Y129R96-V99 WeakPolarHBondContact O-CB 3.34Å; R96-V99 PolarHBondContact O-N 3.28Å; Y97-V99 PolarHBondContact O-N 3.23Å; V99-Y129 HydrophobicContact CG2-CD1 3.53Å; V99-Y129 HydrophobicContact CG2-CE1 3.66Å; V99-Y129 HydrophobicContact CG2-CG 4.47Å
100D85.9Confident93.4Very high14 Ų1450.5 Ų50.58%0.07528%0.275CS..  trans-104.4120175.8-164.8-63.5000110.9R16 R96 A102 Y103 T104R16-D100 WeakPolarHBondContact CD-OD2 3.18Å; R16-D100 IonicContact CZ-OD2 3.67Å; R16-D100 IonicContact NE-OD2 3.7Å; R16-D100 IonicContact NH1-OD2 2.81Å; R16-D100 PolarHBondContact NH1-OD2 3.31Å; R96-D100 PolarHBondContact O-N 3.31Å; D100-A102 PolarHBondContact O-N 2.86Å; D100-A102 WeakPolarHBondContact OD1-CB 3.38Å; D100-A102 PolarHBondContact OD1-N 2.81Å; D100-Y103 HydrophobicContact CB-CD2 3.83Å; D100-Y103 HydrophobicContact CB-CG 4.46Å; D100-Y103 PolarHBondContact OD1-N 2.75Å; D100-T104 VanDerWaalsContact O-CB 3.31Å; D100-T104 WeakPolarHBondContact O-CB 3.09Å; D100-T104 PolarHBondContact O-N 2.9Å; D100-T104 PolarHBondContact O-OG1 3.26Å
101K90.3Very high93.4Very high152 Ų15248.2 Ų48.266%0.66127%0.266SS*.Hα-helixtrans-64.8-38.4-177.4-175.8174.6171.1179.40112.4T104 E105K101-T104 PolarHBondContact O-N 3.43Å; K101-E105 WeakPolarHBondContact CE-OE1 3.33Å; K101-E105 HydrophobicContact CG-CG 4.36Å; K101-E105 IonicContact NZ-OE1 3.7Å; K101-E105 WeakPolarHBondContact O-CB 3.46Å; K101-E105 WeakPolarHBondContact O-CG 3.35Å; K101-E105 PolarHBondContact O-N 2.91Å
102A88.8Confident93.5Very high42 Ų4248.3 Ų48.335%0.34727%0.272SS..Hα-helixtrans-67.3-46-178.600000110.9D100 T104 E105 V106D100-A102 PolarHBondContact O-N 2.86Å; D100-A102 WeakPolarHBondContact OD1-CB 3.38Å; D100-A102 PolarHBondContact OD1-N 2.81Å; A102-T104 VanDerWaalsContact C-N 3.33Å; A102-T104 PolarHBondContact O-N 3.11Å; A102-E105 PolarHBondContact O-N 2.85Å; A102-V106 WeakPolarHBondContact O-CB 3.08Å; A102-V106 VanDerWaalsContact O-CG2 3.26Å; A102-V106 WeakPolarHBondContact O-CG2 3.32Å; A102-V106 PolarHBondContact O-N 3.48Å
103Y91.1Very high93.7Very high62 Ų6250.4 Ų50.424%0.24330%0.295CS..Hα-helixtrans-62.7-40.5174.6-78.6-85.2000112.2E19 T92 R96 D100 F107E19-Y103 PolarHBondContact OE1-OH 3.03Å; E19-Y103 PolarHBondContact OE2-OH 3.44Å; T92-Y103 HydrophobicContact CG2-CD1 4.02Å; R96-Y103 HydrophobicContact CB-CG 4.17Å; D100-Y103 HydrophobicContact CB-CD2 3.83Å; D100-Y103 HydrophobicContact CB-CG 4.46Å; D100-Y103 PolarHBondContact OD1-N 2.75Å; Y103-F107 WeakPolarHBondContact O-CB 3.32Å; Y103-F107 PolarHBondContact O-N 2.96Å
104T94.5Very high93.7Very high21 Ų2152.7 Ų52.713%0.12931%0.307CS..Hα-helixtrans-59.3-51.3176.2-59.50000111.3Y97 G98 D100 K101 A102 V106 F107 D108Y97-T104 HydrophobicContact CD2-CG2 4.09Å; Y97-T104 HydrophobicContact CE1-CG2 4.29Å; Y97-T104 HydrophobicContact CE2-CG2 3.62Å; G98-T104 PolarHBondContact N-OG1 3.34Å; D100-T104 VanDerWaalsContact O-CB 3.31Å; D100-T104 WeakPolarHBondContact O-CB 3.09Å; D100-T104 PolarHBondContact O-N 2.9Å; D100-T104 PolarHBondContact O-OG1 3.26Å; K101-T104 PolarHBondContact O-N 3.43Å; A102-T104 VanDerWaalsContact C-N 3.33Å; A102-T104 PolarHBondContact O-N 3.11Å; T104-V106 PolarHBondContact O-N 3.49Å; T104-F107 PolarHBondContact O-N 3.41Å; T104-D108 VanDerWaalsContact O-CB 3.32Å; T104-D108 WeakPolarHBondContact O-CB 3.36Å; T104-D108 PolarHBondContact O-N 3.21Å
105E95.6Very high93.9Very high101 Ų10156.7 Ų56.747%0.47233%0.325SS..Hα-helixtrans-65-40.5-178.6-73.8176.8172.200112.7K101 A102 S109K101-E105 WeakPolarHBondContact CE-OE1 3.33Å; K101-E105 HydrophobicContact CG-CG 4.36Å; K101-E105 IonicContact NZ-OE1 3.7Å; K101-E105 WeakPolarHBondContact O-CB 3.46Å; K101-E105 WeakPolarHBondContact O-CG 3.35Å; K101-E105 PolarHBondContact O-N 2.91Å; A102-E105 PolarHBondContact O-N 2.85Å; E105-S109 WeakPolarHBondContact O-CB 3.46Å; E105-S109 PolarHBondContact O-N 3.43Å; E105-S109 PolarHBondContact O-OG 3.49Å
106V95.3Very high94.2Very high90 Ų9052.5 Ų52.555%0.54530%0.302SS..Hα-helixtrans-64.8-47.2176.7170.90000110.4A102 T104 S109 I110A102-V106 WeakPolarHBondContact O-CB 3.08Å; A102-V106 VanDerWaalsContact O-CG2 3.26Å; A102-V106 WeakPolarHBondContact O-CG2 3.32Å; A102-V106 PolarHBondContact O-N 3.48Å; T104-V106 PolarHBondContact O-N 3.49Å; V106-S109 WeakPolarHBondContact O-CB 3.38Å; V106-S109 PolarHBondContact O-N 3.28Å; V106-I110 HydrophobicContact CG1-CD1 4.14Å; V106-I110 WeakPolarHBondContact O-CG1 3.26Å; V106-I110 PolarHBondContact O-N 2.91Å
107F97.6Very high94.6Very high6 Ų650.9 Ų50.93%0.02630%0.296CS..Hα-helixtrans-68.5-37.2-179.2-150.7-90.9000111.9M89 T92 V93 Y97 Y103 T104 S109 I110 Q111 W125M89-F107 HydrophobicContact CB-CE2 4.24Å; M89-F107 HydrophobicContact CG-CE2 4.26Å; T92-F107 HydrophobicContact CG2-CB 4.12Å; T92-F107 HydrophobicContact CG2-CD2 3.68Å; T92-F107 HydrophobicContact CG2-CE2 4.43Å; T92-F107 HydrophobicContact CG2-CG 4.1Å; V93-F107 HydrophobicContact CG2-CD1 4.14Å; V93-F107 HydrophobicContact CG2-CE1 3.4Å; V93-F107 HydrophobicContact CG2-CE2 3.84Å; V93-F107 HydrophobicContact CG2-CZ 3.23Å; Y97-F107 HydrophobicContact CD2-CB 4.42Å; Y103-F107 WeakPolarHBondContact O-CB 3.32Å; Y103-F107 PolarHBondContact O-N 2.96Å; T104-F107 PolarHBondContact O-N 3.41Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.88Å; F107-I110 PolarHBondContact O-N 3.34Å; F107-Q111 HydrophobicContact CD1-CG 3.88Å; F107-Q111 HydrophobicContact CE1-CG 3.85Å; F107-Q111 WeakPolarHBondContact O-CG 3.49Å; F107-Q111 PolarHBondContact O-N 2.96Å; F107-W125 HydrophobicContact CD1-CZ2 4.16Å; F107-W125 HydrophobicContact CE1-CZ2 4.1Å
108D98.2Very high94.8Very high44 Ų4450.3 Ų50.324%0.23529%0.294CS..Hα-helixtrans-60.5-39.1172-82.2-18.1000112.3Y97 T104 Q111 S112 S153Y97-D108 WeakPolarHBondContact CE2-OD1 3.19Å; Y97-D108 PolarHBondContact OH-OD1 3.07Å; Y97-D108 VanDerWaalsContact OH-OD1 3.04Å; Y97-D108 PolarHBondContact OH-OD2 3.33Å; T104-D108 VanDerWaalsContact O-CB 3.32Å; T104-D108 WeakPolarHBondContact O-CB 3.36Å; T104-D108 PolarHBondContact O-N 3.21Å; D108-Q111 PolarHBondContact O-N 3.38Å; D108-S112 WeakPolarHBondContact O-CB 3.34Å; D108-S112 PolarHBondContact O-N 3.47Å; D108-S112 PolarHBondContact O-OG 3.31Å; D108-S153 VanDerWaalsContact OD1-CB 3.28Å; D108-S153 WeakPolarHBondContact OD1-CB 3.46Å; D108-S153 PolarHBondContact OD1-OG 3.48Å
109S98.1Very high95.2Very high77 Ų7748.5 Ų48.554%0.53828%0.275SS..Hα-helixtrans-66.1-38.2175.6-59.50000111.8E105 V106 F107 S112 G113E105-S109 WeakPolarHBondContact O-CB 3.46Å; E105-S109 PolarHBondContact O-N 3.43Å; E105-S109 PolarHBondContact O-OG 3.49Å; V106-S109 WeakPolarHBondContact O-CB 3.38Å; V106-S109 PolarHBondContact O-N 3.28Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.88Å; S109-S112 PolarHBondContact O-OG 3.01Å; S109-G113 WeakPolarHBondContact O-CA 3.46Å; S109-G113 PolarHBondContact O-N 3.4Å
110I97.9Very high95.7Very high47 Ų4749.7 Ų49.724%0.24127%0.274CS..Hα-helixtrans-65.2-49.8174.7-67.1167.5000110.3V106 F107 G113 L114 C188 V192V106-I110 HydrophobicContact CG1-CD1 4.14Å; V106-I110 WeakPolarHBondContact O-CG1 3.26Å; V106-I110 PolarHBondContact O-N 2.91Å; F107-I110 PolarHBondContact O-N 3.34Å; I110-G113 PolarHBondContact O-N 3.45Å; I110-L114 HydrophobicContact CG2-CD1 4.13Å; I110-L114 WeakPolarHBondContact O-CB 3.44Å; I110-L114 PolarHBondContact O-N 2.86Å; I110-C188 HydrophobicContact CG2-CB 4.06Å; I110-V192 HydrophobicContact CG2-CG2 4.28Å
111Q98.4Very high96.2Very high0 Ų050.4 Ų50.40%028%0.28CS..Hα-helixtrans-61.3-49.5-178-71.8-171.1136.800112.1F107 D108 H115 C116 S153 C154 C188F107-Q111 HydrophobicContact CD1-CG 3.88Å; F107-Q111 HydrophobicContact CE1-CG 3.85Å; F107-Q111 WeakPolarHBondContact O-CG 3.49Å; F107-Q111 PolarHBondContact O-N 2.96Å; D108-Q111 PolarHBondContact O-N 3.38Å; Q111-H115 WeakPolarHBondContact O-CA 3.27Å; Q111-H115 PolarHBondContact O-N 2.91Å; Q111-C116 WeakPolarHBondContact CA-O 3.47Å; Q111-C116 WeakPolarHBondContact CB-O 3.18Å; Q111-C116 PolarHBondContact O-N 3.28Å; Q111-C116 VanDerWaalsContact O-N 3.1Å; Q111-S153 PolarHBondContact NE2-OG 3.4Å; Q111-C154 VanDerWaalsContact CD-SG 3.52Å; Q111-C154 PolarHBondContact OE1-SG 2.82Å; Q111-C188 VanDerWaalsContact CG-SG 3.59Å
112S97.1Very high96.4Very high59 Ų5944 Ų4441%0.41325%0.252SS..Hα-helixtrans-69.3-41.2179.158.20000112.6D108 S109D108-S112 WeakPolarHBondContact O-CB 3.34Å; D108-S112 PolarHBondContact O-N 3.47Å; D108-S112 PolarHBondContact O-OG 3.31Å; S109-S112 PolarHBondContact O-OG 3.01Å
113G96.4Very high96.7Very high54 Ų5444.5 Ų44.556%0.55725%0.253SS*.Hα-helixtrans-74.3-29.2-177.200000114.5S109 I110S109-G113 WeakPolarHBondContact O-CA 3.46Å; S109-G113 PolarHBondContact O-N 3.4Å; I110-G113 PolarHBondContact O-N 3.45Å
114L97Very high96.8Very high48 Ų4842.3 Ų42.325%0.25125%0.245SC..Hα-helixtrans-106.83.1179-61.3-178.4000113.9I110 C116 A191 V192 K195I110-L114 HydrophobicContact CG2-CD1 4.13Å; I110-L114 WeakPolarHBondContact O-CB 3.44Å; I110-L114 PolarHBondContact O-N 2.86Å; L114-C116 VanDerWaalsContact C-N 3.3Å; L114-C116 PolarHBondContact O-N 3.45Å; L114-A191 HydrophobicContact CB-CB 4.14Å; L114-A191 HydrophobicContact CD1-CB 4.45Å; L114-V192 HydrophobicContact CD1-CB 4.33Å; L114-V192 HydrophobicContact CD1-CG2 3.42Å; L114-V192 VanDerWaalsContact CD1-CG2 3.42Å; L114-K195 HydrophobicContact CD2-CB 4.26Å; L114-K195 HydrophobicContact CD2-CD 4.48Å; L114-K195 HydrophobicContact CD2-CG 4Å
115H97.6Very high96.9Very high127 Ų12741.3 Ų41.359%0.58824%0.239SC*.THydrogen-bonded Turntrans48.753.5-176.3-57.1-62.5000111.8Q111 N184Q111-H115 WeakPolarHBondContact O-CA 3.27Å; Q111-H115 PolarHBondContact O-N 2.91Å; H115-N184 VanDerWaalsContact C-CG 3.44Å; H115-N184 WeakPolarHBondContact O-CB 3.49Å
116C98.3Very high96.6Very high0 Ų038 Ų380%022%0.224CC..  trans-128.6164.6-179.363.70000110.3Q111 L114 K186 C188 A191Q111-C116 WeakPolarHBondContact CA-O 3.47Å; Q111-C116 WeakPolarHBondContact CB-O 3.18Å; Q111-C116 PolarHBondContact O-N 3.28Å; Q111-C116 VanDerWaalsContact O-N 3.1Å; L114-C116 VanDerWaalsContact C-N 3.3Å; L114-C116 PolarHBondContact O-N 3.45Å; C116-K186 CarbonylContact C-O 3.59Å; C116-K186 WeakPolarHBondContact CA-O 3.23Å; C116-K186 WeakPolarHBondContact CB-O 3.37Å; C116-C188 VanDerWaalsContact C-SG 3.56Å; C116-C188 HydrophobicContact CB-CB 3.91Å; C116-C188 WeakPolarHBondContact CB-SG 3.37Å; C116-C188 WeakPolarHBondContact SG-CA 3.39Å; C116-C188 WeakPolarHBondContact SG-CB 3.36Å; C116-C188 CovalentContact SG-SG 2.04Å; C116-C188 PolarHBondContact SG-SG 3Å; C116-A191 HydrophobicContact CB-CB 3.76Å
117C98.2Very high96.3Very high0 Ų040.4 Ų40.40%023%0.23CC..  trans-143.9133.4175.5-176.10000111S121 Y122 C154 N184 K186C117-S121 CarbonylContact O-C 3.33Å; C117-Y122 PolarHBondContact O-N 3.4Å; C117-Y122 VanDerWaalsContact SG-CA 3.53Å; C117-Y122 WeakPolarHBondContact SG-CB 3.35Å; C117-C154 VanDerWaalsContact CA-SG 3.54Å; C117-C154 HydrophobicContact CB-CB 3.64Å; C117-C154 WeakPolarHBondContact CB-SG 2.92Å; C117-C154 WeakPolarHBondContact SG-CB 3.41Å; C117-C154 CovalentContact SG-SG 2.03Å; C117-C154 PolarHBondContact SG-SG 3.4Å; C117-N184 HydrophobicContact CB-CB 4.21Å; C117-N184 WeakPolarHBondContact CB-O 3.11Å; C117-K186 PolarHBondContact N-O 3.38Å
118G97.6Very high95.9Very high0 Ų040.1 Ų40.10%023%0.229CC..SBendtrans65.9-168.2-176.200000112.5C188G118-C188 WeakPolarHBondContact O-CB 3.32Å; G118-C188 PolarHBondContact O-N 2.78Å; G118-C188 PolarHBondContact O-SG 2.81Å; G118-C188 VanDerWaalsContact O-SG 3.39Å
119V98Very high95.4Very high0 Ų043.5 Ų43.50%024%0.239CC..SBendtrans-83.5-59.8-177.1-173.80000109.9E86 M89 Y90 V93 D124 G187 C188 L189E86-V119 HydrophobicContact CG-CG1 4.33Å; M89-V119 HydrophobicContact CB-CB 4.45Å; M89-V119 HydrophobicContact CB-CG1 3.84Å; M89-V119 HydrophobicContact CB-CG2 3.86Å; M89-V119 HydrophobicContact SD-CG1 4.37Å; Y90-V119 HydrophobicContact CD1-CB 4.12Å; Y90-V119 HydrophobicContact CD1-CG2 3.67Å; Y90-V119 HydrophobicContact CD2-CB 4.23Å; Y90-V119 HydrophobicContact CD2-CG1 3.83Å; Y90-V119 HydrophobicContact CD2-CG2 4.26Å; Y90-V119 HydrophobicContact CE1-CB 3.85Å; Y90-V119 HydrophobicContact CE1-CG1 4.45Å; Y90-V119 HydrophobicContact CE1-CG2 3.88Å; Y90-V119 HydrophobicContact CE2-CB 3.97Å; Y90-V119 HydrophobicContact CE2-CG1 3.65Å; Y90-V119 HydrophobicContact CE2-CG2 4.44Å; Y90-V119 HydrophobicContact CG-CB 4.3Å; Y90-V119 HydrophobicContact CG-CG1 4.3Å; Y90-V119 HydrophobicContact CG-CG2 3.87Å; V93-V119 HydrophobicContact CB-CG2 4.25Å; V93-V119 HydrophobicContact CG2-CG2 3.78Å; V119-D124 WeakPolarHBondContact CA-OD2 3.03Å; V119-D124 WeakPolarHBondContact CB-OD2 3.29Å; V119-D124 PolarHBondContact N-OD2 2.64Å; V119-G187 CarbonylContact O-C 3.05Å; V119-G187 VanDerWaalsContact O-C 3.26Å; V119-G187 VanDerWaalsContact O-CA 3.31Å; V119-G187 WeakPolarHBondContact O-CA 3.48Å; V119-C188 PolarHBondContact O-N 2.79Å; V119-L189 HydrophobicContact CG1-CB 3.99Å; V119-L189 HydrophobicContact CG1-CD2 4.37Å; V119-L189 WeakPolarHBondContact O-CB 3.41Å; V119-L189 PolarHBondContact O-N 2.87Å
120K97.5Very high94.9Very high100 Ų10041.2 Ų41.244%0.43522%0.219SC..SBendtrans-102.7-31.8173.8-68.7-176.6-177.6164.40112E86 Y90 D124 G187E86-K120 VanDerWaalsContact CD-CE 3.49Å; E86-K120 WeakPolarHBondContact OE1-CE 3.42Å; E86-K120 IonicContact OE1-NZ 3.18Å; E86-K120 PolarHBondContact OE1-NZ 2.94Å; E86-K120 IonicContact OE2-NZ 3.55Å; Y90-K120 WeakPolarHBondContact OH-CD 3.32Å; Y90-K120 WeakPolarHBondContact OH-CG 3.35Å; K120-D124 PolarHBondContact N-OD2 3.44Å; K120-G187 WeakPolarHBondContact O-CA 3.38Å; K120-G187 PolarHBondContact O-N 3.17Å
121S96.1Very high94.3Very high29 Ų2939.2 Ų39.220%0.20321%0.209CC..SBendtrans-158.1161.1-178.8-179.60000111.2C117 S123 D124C117-S121 CarbonylContact O-C 3.33Å; S121-S123 WeakPolarHBondContact CB-OG 3.26Å; S121-S123 PolarHBondContact O-N 2.79Å; S121-S123 PolarHBondContact OG-N 3.33Å; S121-S123 PolarHBondContact OG-OG 3.46Å; S121-D124 PolarHBondContact N-OD2 2.95Å; S121-D124 WeakPolarHBondContact O-CB 2.97Å; S121-D124 VanDerWaalsContact O-CG 3.26Å; S121-D124 PolarHBondContact O-N 3.07Å
122Y95.5Very high93.2Very high18 Ų1841.7 Ų41.77%0.07122%0.224CC..G310 helixtrans-56.8-22.1172.463.5-92.7000113.1C117 D124 W125 L176 L177 E180 L183C117-Y122 PolarHBondContact O-N 3.4Å; C117-Y122 VanDerWaalsContact SG-CA 3.53Å; C117-Y122 WeakPolarHBondContact SG-CB 3.35Å; Y122-D124 PolarHBondContact O-N 3.45Å; Y122-W125 PolarHBondContact O-N 3.37Å; Y122-L176 HydrophobicContact CD2-CD2 3.85Å; Y122-L176 HydrophobicContact CD2-CG 3.84Å; Y122-L176 HydrophobicContact CE2-CD2 4.47Å; Y122-L176 HydrophobicContact CE2-CG 4.13Å; Y122-L177 VanDerWaalsContact OH-CD1 3.26Å; Y122-L177 WeakPolarHBondContact OH-CD1 3.27Å; Y122-E180 HydrophobicContact CE1-CB 4.44Å; Y122-E180 HydrophobicContact CE1-CG 3.82Å; Y122-E180 PolarHBondContact OH-OE2 3.37Å; Y122-L183 HydrophobicContact CD2-CD1 4.12Å; Y122-L183 HydrophobicContact CG-CD1 4.21Å
123S93.9Very high91.7Very high51 Ų5143.5 Ų43.536%0.35723%0.226SC..G310 helixtrans-66.5-21.6176.357.50000113.9S121 W125 L126S121-S123 WeakPolarHBondContact CB-OG 3.26Å; S121-S123 PolarHBondContact O-N 2.79Å; S121-S123 PolarHBondContact OG-N 3.33Å; S121-S123 PolarHBondContact OG-OG 3.46Å; S123-W125 PolarHBondContact O-N 2.91Å; S123-W125 VanDerWaalsContact O-N 3.11Å; S123-L126 VanDerWaalsContact O-CB 3.29Å; S123-L126 WeakPolarHBondContact O-CB 3.4Å; S123-L126 WeakPolarHBondContact O-CG 3.42Å; S123-L126 PolarHBondContact O-N 3.45Å
124D95.2Very high89.6Confident16 Ų1644.5 Ų44.59%0.08622%0.215CC..G310 helixtrans-59.7-24.4178.9-62.7-39.5000111.9Y90 V93 V119 K120 S121 Y122 L126Y90-D124 HydrophobicContact CE1-CB 4.11Å; Y90-D124 PolarHBondContact OH-OD1 2.9Å; Y90-D124 VanDerWaalsContact OH-OD1 3.14Å; V93-D124 HydrophobicContact CG1-CB 4.48Å; V119-D124 WeakPolarHBondContact CA-OD2 3.03Å; V119-D124 WeakPolarHBondContact CB-OD2 3.29Å; V119-D124 PolarHBondContact N-OD2 2.64Å; K120-D124 PolarHBondContact N-OD2 3.44Å; S121-D124 PolarHBondContact N-OD2 2.95Å; S121-D124 WeakPolarHBondContact O-CB 2.97Å; S121-D124 VanDerWaalsContact O-CG 3.26Å; S121-D124 PolarHBondContact O-N 3.07Å; Y122-D124 PolarHBondContact O-N 3.45Å; D124-L126 VanDerWaalsContact C-N 3.26Å; D124-L126 PolarHBondContact O-N 3.42Å
125W94.6Very high87.4Confident0 Ų053.9 Ų53.90%025%0.247CC..G310 helixtrans-66.6-24.4175.6-73.1105000113.8V93 Y97 F107 Y122 S123 E127 S128 Y130 A131 V150 P151 C154V93-W125 HydrophobicContact CB-CH2 4.43Å; V93-W125 HydrophobicContact CG1-CD2 3.93Å; V93-W125 HydrophobicContact CG1-CE3 3.92Å; V93-W125 HydrophobicContact CG1-CH2 4.04Å; V93-W125 HydrophobicContact CG1-CZ2 4.08Å; V93-W125 HydrophobicContact CG1-CZ3 3.98Å; V93-W125 HydrophobicContact CG2-CH2 4.28Å; V93-W125 HydrophobicContact CG2-CZ2 4.14Å; Y97-W125 AromaticContact CD1-CH2 3.66Å; Y97-W125 HydrophobicContact CD1-CH2 3.66Å; Y97-W125 AromaticContact CD1-CZ3 3.45Å; Y97-W125 HydrophobicContact CD1-CZ3 3.45Å; Y97-W125 VanDerWaalsContact CD1-CZ3 3.45Å; Y97-W125 AromaticContact CD2-CH2 3.47Å; Y97-W125 HydrophobicContact CD2-CH2 3.47Å; Y97-W125 VanDerWaalsContact CD2-CH2 3.47Å; Y97-W125 HydrophobicContact CD2-CZ2 4.46Å; Y97-W125 HydrophobicContact CD2-CZ3 4.13Å; Y97-W125 HydrophobicContact CE1-CH2 4.09Å; Y97-W125 HydrophobicContact CE1-CZ3 4.05Å; Y97-W125 AromaticContact CE2-CH2 3.87Å; Y97-W125 HydrophobicContact CE2-CH2 3.87Å; Y97-W125 AromaticContact CG-CH2 3.35Å; Y97-W125 HydrophobicContact CG-CH2 3.35Å; Y97-W125 AromaticContact CG-CZ3 3.52Å; Y97-W125 HydrophobicContact CG-CZ3 3.52Å; F107-W125 HydrophobicContact CD1-CZ2 4.16Å; F107-W125 HydrophobicContact CE1-CZ2 4.1Å; Y122-W125 PolarHBondContact O-N 3.37Å; S123-W125 PolarHBondContact O-N 2.91Å; S123-W125 VanDerWaalsContact O-N 3.11Å; W125-E127 PolarHBondContact O-N 2.93Å; W125-S128 WeakPolarHBondContact O-CB 3.33Å; W125-S128 PolarHBondContact O-N 3.29Å; W125-S128 PolarHBondContact O-OG 3.01Å; W125-Y130 HydrophobicContact CE3-CD1 4.04Å; W125-Y130 HydrophobicContact CZ3-CD1 4.18Å; W125-Y130 HydrophobicContact CZ3-CG 4.42Å; W125-A131 WeakPolarHBondContact O-CB 3.06Å; W125-V150 HydrophobicContact CB-CG1 3.81Å; W125-V150 HydrophobicContact CG-CB 4.19Å; W125-V150 HydrophobicContact CG-CG1 3.79Å; W125-P151 VanDerWaalsContact CD2-CD 3.42Å; W125-P151 HydrophobicContact CD2-CG 4.1Å; W125-P151 HydrophobicContact CE3-CG 4.14Å; W125-P151 HydrophobicContact CH2-CG 3.46Å; W125-P151 VanDerWaalsContact CH2-CG 3.46Å; W125-P151 HydrophobicContact CZ2-CG 3.36Å; W125-P151 HydrophobicContact CZ3-CG 3.83Å; W125-C154 PolarHBondContact NE1-SG 3.27Å; W125-C154 VanDerWaalsContact NE1-SG 3.37Å
126L91.3Very high85.1Confident32 Ų3255 Ų5517%0.16826%0.258CS..G310 helixtrans-61.2-27-178.7-65.5172.8000112.7S123 D124 G146 L176S123-L126 VanDerWaalsContact O-CB 3.29Å; S123-L126 WeakPolarHBondContact O-CB 3.4Å; S123-L126 WeakPolarHBondContact O-CG 3.42Å; S123-L126 PolarHBondContact O-N 3.45Å; D124-L126 VanDerWaalsContact C-N 3.26Å; D124-L126 PolarHBondContact O-N 3.42Å; L126-G146 WeakPolarHBondContact CD2-O 3.22Å; L126-L176 HydrophobicContact CD2-CB 4.03Å; L126-L176 HydrophobicContact CD2-CD2 3.88Å; L126-L176 HydrophobicContact CG-CD2 4.07Å
127E87Confident83Confident140 Ų14057.5 Ų57.565%0.65427%0.271SS*.G310 helixtrans-94-3.4179.7-59-173.4130.800112.7W125W125-E127 PolarHBondContact O-N 2.93Å
128S90.5Very high80.5Confident1 Ų161.4 Ų61.41%0.00730%0.296CS..SBendtrans-77.8150.2-175.271.30000114.1V93 W125 Y130 A131 T132V93-S128 WeakPolarHBondContact O-CB 3.12Å; W125-S128 WeakPolarHBondContact O-CB 3.33Å; W125-S128 PolarHBondContact O-N 3.29Å; W125-S128 PolarHBondContact O-OG 3.01Å; S128-Y130 PolarHBondContact O-N 3.44Å; S128-A131 PolarHBondContact O-N 2.04Å; S128-A131 PolarHBondContact OG-N 2.91Å; S128-T132 PolarHBondContact O-N 3.39Å; S128-T132 PolarHBondContact O-OG1 3.1Å
129Y86.7Confident78.1Confident114 Ų11471.1 Ų71.145%0.44734%0.342SS..Hα-helixtrans-55-36.5166.5179.8-99.4000111.9I94 V99 A131 T132 Q133I94-Y129 WeakPolarHBondContact O-CB 3.18Å; I94-Y129 PolarHBondContact O-N 3.25Å; V99-Y129 HydrophobicContact CG2-CD1 3.53Å; V99-Y129 HydrophobicContact CG2-CE1 3.66Å; V99-Y129 HydrophobicContact CG2-CG 4.47Å; Y129-A131 PolarHBondContact O-N 3.39Å; Y129-T132 WeakPolarHBondContact CA-OG1 3.33Å; Y129-T132 PolarHBondContact O-N 2.93Å; Y129-T132 PolarHBondContact O-OG1 2.86Å; Y129-Q133 HydrophobicContact CE1-CG 4.41Å; Y129-Q133 PolarHBondContact O-N 3.05Å
130Y88.3Confident75.9Confident30 Ų3079.4 Ų79.412%0.11838%0.378CS..Hα-helixtrans-61.6-41.8178.3175.6-102.3000113.5Y97 W125 S128 T132 R149 P151Y97-Y130 HydrophobicContact CD1-CD1 4.2Å; Y97-Y130 AromaticContact CD1-CD2 3.71Å; Y97-Y130 HydrophobicContact CD1-CD2 3.71Å; Y97-Y130 HydrophobicContact CD1-CE2 4.36Å; Y97-Y130 AromaticContact CD1-CG 3.61Å; Y97-Y130 HydrophobicContact CD1-CG 3.61Å; Y97-Y130 HydrophobicContact CE1-CD1 4.07Å; Y97-Y130 AromaticContact CE1-CD2 3.58Å; Y97-Y130 HydrophobicContact CE1-CD2 3.58Å; Y97-Y130 HydrophobicContact CE1-CE1 4.24Å; Y97-Y130 AromaticContact CE1-CE2 3.76Å; Y97-Y130 HydrophobicContact CE1-CE2 3.76Å; Y97-Y130 AromaticContact CE1-CG 3.73Å; Y97-Y130 HydrophobicContact CE1-CG 3.73Å; W125-Y130 HydrophobicContact CE3-CD1 4.04Å; W125-Y130 HydrophobicContact CZ3-CD1 4.18Å; W125-Y130 HydrophobicContact CZ3-CG 4.42Å; S128-Y130 PolarHBondContact O-N 3.44Å; Y130-T132 VanDerWaalsContact C-N 3.32Å; Y130-R149 HydrophobicContact CD1-CG 4.34Å; Y130-R149 HydrophobicContact CE1-CG 3.93Å; Y130-R149 VanDerWaalsContact O-CZ 3.31Å; Y130-R149 PolarHBondContact O-NE 2.56Å; Y130-R149 PolarHBondContact O-NH2 3.39Å; Y130-P151 HydrophobicContact CE1-CG 4.28Å
131A85.3Confident73.6Confident5 Ų576.7 Ų76.74%0.04138%0.378CS..Hα-helixtrans-67.5-35.7176.500000111.7W125 S128 Y129W125-A131 WeakPolarHBondContact O-CB 3.06Å; S128-A131 PolarHBondContact O-N 2.04Å; S128-A131 PolarHBondContact OG-N 2.91Å; Y129-A131 PolarHBondContact O-N 3.39Å
132T75.5Confident71.4Confident51 Ų5182.2 Ų82.231%0.31340%0.404SS..Hα-helixtrans-82.1-16.2-176.158.20000114.9S128 Y129 Y130 K134 I142S128-T132 PolarHBondContact O-N 3.39Å; S128-T132 PolarHBondContact O-OG1 3.1Å; Y129-T132 WeakPolarHBondContact CA-OG1 3.33Å; Y129-T132 PolarHBondContact O-N 2.93Å; Y129-T132 PolarHBondContact O-OG1 2.86Å; Y130-T132 VanDerWaalsContact C-N 3.32Å; T132-K134 PolarHBondContact O-N 2.71Å; T132-K134 VanDerWaalsContact O-N 3.11Å; T132-I142 HydrophobicContact CG2-CG2 3.91Å
133Q65Low69.3Low97 Ų9783.4 Ų83.445%0.45342%0.422SS..THydrogen-bonded Turntrans-62.5-20.1-175.4-164.5-178.69.100114.7Y129 R135Y129-Q133 HydrophobicContact CE1-CG 4.41Å; Y129-Q133 PolarHBondContact O-N 3.05Å; Q133-R135 PolarHBondContact O-N 3.03Å
134K52.8Low67.5Low76 Ų7684.3 Ų84.333%0.3343%0.428SS..  trans-77.4108.7171.9-100-171175.6-1770109.5T132 D136 L137 D172T132-K134 PolarHBondContact O-N 2.71Å; T132-K134 VanDerWaalsContact O-N 3.11Å; K134-D136 PolarHBondContact O-N 2.84Å; K134-D136 VanDerWaalsContact O-N 3.08Å; K134-L137 PolarHBondContact O-N 2.91Å; K134-D172 IonicContact NZ-OD2 2.73Å; K134-D172 PolarHBondContact NZ-OD2 3.4Å
135R51Low66.1Low245 Ų24585.8 Ų85.893%0.92545%0.447SS*.THydrogen-bonded Turntrans-58.9-15.3175.5-67.8-176.3-178.1163.30.8114.5Q133Q133-R135 PolarHBondContact O-N 3.03Å
136D49.4Very low65.3Low150 Ų15086.8 Ų86.880%0.80246%0.457SS*.THydrogen-bonded Turntrans-95.218.2179.6-56.9-42000113.3K134K134-D136 PolarHBondContact O-N 2.84Å; K134-D136 VanDerWaalsContact O-N 3.08Å
137L52.9Low64.9Low53 Ų5387.7 Ų87.728%0.27746%0.462SS..SBendtrans-61.5126.3160.9-74.9163.9000107.1K134 E139 I147K134-L137 PolarHBondContact O-N 2.91Å; L137-E139 PolarHBondContact O-N 3.23Å; L137-I147 HydrophobicContact CD2-CG2 4.49Å
138P45.7Very low64.8Low82 Ų8281.1 Ų81.153%0.53243%0.432SS..  trans-51.7142.4175.8-1.61.6000108.9F140P138-F140 PolarHBondContact O-N 2.93Å; P138-F140 VanDerWaalsContact O-O 3.1Å
139E48.5Very low64.8Low204 Ų20482.6 Ų82.695%0.95344%0.437SS*.SBendtrans-64.223.1-177.2-153.3-178.3168.200114.1L137L137-E139 PolarHBondContact O-N 3.23Å
140F51.5Low65.2Low173 Ų17377.2 Ų77.276%0.75942%0.416SS*.SBendtrans-76.8115.5156.3-118.1-98.6000107.2P138P138-F140 PolarHBondContact O-N 2.93Å; P138-F140 VanDerWaalsContact O-O 3.1Å
141G49.9Very low65.6Low43 Ų4375.8 Ų75.844%0.44341%0.41SS..  trans-45.2157-164.400000116.4G143 S144G141-G143 PolarHBondContact O-N 3.02Å; G141-G143 VanDerWaalsContact O-N 3.15Å; G141-S144 WeakPolarHBondContact O-CA 3.31Å; G141-S144 WeakPolarHBondContact O-CB 3.17Å; G141-S144 PolarHBondContact O-N 2.92Å; G141-S144 PolarHBondContact O-OG 3.26Å
142I49.7Very low66.1Low145 Ų14579.2 Ų79.274%0.74442%0.424SS*.THydrogen-bonded Turntrans-33.8116.7175.6-51.9164.8000111.1T132 S144T132-I142 HydrophobicContact CG2-CG2 3.91Å; I142-S144 PolarHBondContact O-N 3.42Å
143G51.9Low67.1Low44 Ų4477.2 Ų77.245%0.45441%0.412SS..THydrogen-bonded Turntrans67.8-5179.500000116.7G141 G145 G146G141-G143 PolarHBondContact O-N 3.02Å; G141-G143 VanDerWaalsContact O-N 3.15Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.14Å; G143-G146 PolarHBondContact O-N 3.01Å; G143-G146 VanDerWaalsContact O-N 3.12Å
144S55Low68.7Low70 Ų7072.6 Ų72.649%0.4939%0.391SS..THydrogen-bonded Turntrans-72.183.4178.2-60.80000110.3G141 I142G141-S144 WeakPolarHBondContact O-CA 3.31Å; G141-S144 WeakPolarHBondContact O-CB 3.17Å; G141-S144 PolarHBondContact O-N 2.92Å; G141-S144 PolarHBondContact O-OG 3.26Å; I142-S144 PolarHBondContact O-N 3.42Å
145G66.5Low70.8Confident46 Ų4669.1 Ų69.147%0.47438%0.376SS..THydrogen-bonded Turntrans134.8-4.6-179.900000113.8G143 I147 P175G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.14Å; G145-I147 PolarHBondContact O-N 3.34Å; G145-P175 WeakPolarHBondContact O-CB 3.4Å; G145-P175 WeakPolarHBondContact O-CG 3.05Å
146G77.2Confident73.1Confident21 Ų2159 Ų5922%0.21634%0.341CS..SBendtrans65.319.3-175.800000113.5L126 G143 P175 L176L126-G146 WeakPolarHBondContact CD2-O 3.22Å; G143-G146 PolarHBondContact O-N 3.01Å; G143-G146 VanDerWaalsContact O-N 3.12Å; G146-P175 CarbonylContact O-C 3.33Å; G146-P175 WeakPolarHBondContact O-CA 3.4Å; G146-L176 WeakPolarHBondContact O-CB 3.34Å; G146-L176 PolarHBondContact O-N 3.5Å
147I82.9Confident75.3Confident52 Ų5256 Ų5627%0.26734%0.336SS..BIsolated β-bridgetrans-85.2124.5177.4-57.5174.1000108L137 G145 D172 P175L137-I147 HydrophobicContact CD2-CG2 4.49Å; G145-I147 PolarHBondContact O-N 3.34Å; I147-D172 WeakPolarHBondContact CG2-O 3.26Å; I147-P175 HydrophobicContact CG1-CG 4.45Å
148G84.6Confident77.4Confident2 Ų256.2 Ų56.22%0.02134%0.337CS..  trans176.7164.1177.900000111.3Y171 L176G148-Y171 CarbonylContact C-O 3.26Å; G148-L176 WeakPolarHBondContact O-CD1 3.29Å
149R90.3Very high79.8Confident32 Ų3252.3 Ų52.312%0.12131%0.312CS..  trans-101.9158.1-176.159.9178.5-176.4172.93.3111.6Y130 G168Y130-R149 HydrophobicContact CD1-CG 4.34Å; Y130-R149 HydrophobicContact CE1-CG 3.93Å; Y130-R149 VanDerWaalsContact O-CZ 3.31Å; Y130-R149 PolarHBondContact O-NE 2.56Å; Y130-R149 PolarHBondContact O-NH2 3.39Å; R149-G168 VanDerWaalsContact CB-O 3.29Å; R149-G168 WeakPolarHBondContact CB-O 3.48Å
150V95Very high82Confident0 Ų046.4 Ų46.40%029%0.286CS..  trans-119.3159.2170.3-58.90000110W125 C154 G168 T169 L176 L183W125-V150 HydrophobicContact CB-CG1 3.81Å; W125-V150 HydrophobicContact CG-CB 4.19Å; W125-V150 HydrophobicContact CG-CG1 3.79Å; V150-C154 HydrophobicContact CB-CB 4Å; V150-C154 HydrophobicContact CG2-CB 3.73Å; V150-G168 PolarHBondContact N-O 3.38Å; V150-G168 CarbonylContact O-C 3.55Å; V150-G168 WeakPolarHBondContact O-CA 3.33Å; V150-T169 PolarHBondContact O-N 3.42Å; V150-L176 HydrophobicContact CG1-CD1 4.13Å; V150-L176 HydrophobicContact CG1-CD2 3.67Å; V150-L176 HydrophobicContact CG1-CG 4.47Å; V150-L183 HydrophobicContact CG1-CD1 4.29Å; V150-L183 HydrophobicContact CG2-CD1 3.85Å; V150-L183 HydrophobicContact CG2-CD2 3.48Å; V150-L183 VanDerWaalsContact CG2-CD2 3.48Å; V150-L183 HydrophobicContact CG2-CG 4.32Å
151P96.2Very high84.2Confident0 Ų047 Ų470%028%0.283CS..  trans-54.1152.5169.8-32.941.6000113.5Y97 W125 Y130 S153 C154Y97-P151 HydrophobicContact CD1-CG 4.37Å; Y97-P151 HydrophobicContact CE1-CB 4.36Å; Y97-P151 HydrophobicContact CE1-CG 3.6Å; Y97-P151 HydrophobicContact CE2-CB 4.41Å; Y97-P151 HydrophobicContact CE2-CG 3.88Å; Y97-P151 VanDerWaalsContact OH-CB 3.23Å; Y97-P151 WeakPolarHBondContact OH-CB 3.38Å; Y97-P151 WeakPolarHBondContact OH-CG 3.4Å; W125-P151 VanDerWaalsContact CD2-CD 3.42Å; W125-P151 HydrophobicContact CD2-CG 4.1Å; W125-P151 HydrophobicContact CE3-CG 4.14Å; W125-P151 HydrophobicContact CH2-CG 3.46Å; W125-P151 VanDerWaalsContact CH2-CG 3.46Å; W125-P151 HydrophobicContact CZ2-CG 3.36Å; W125-P151 HydrophobicContact CZ3-CG 3.83Å; Y130-P151 HydrophobicContact CE1-CG 4.28Å; P151-S153 WeakPolarHBondContact CB-OG 3.49Å; P151-S153 PolarHBondContact O-N 2.97Å; P151-C154 VanDerWaalsContact O-CB 3.3Å; P151-C154 WeakPolarHBondContact O-CB 3.43Å; P151-C154 PolarHBondContact O-N 3.31Å
152F96.7Very high86.4Confident77 Ų7749.6 Ų49.634%0.33828%0.283SS..G310 helixtrans-58.5-31.4171.4177.2-103.7000112.3C154 C155 M160 G164 C167 T169F152-C154 PolarHBondContact O-N 3.45Å; F152-C155 VanDerWaalsContact O-CB 3.26Å; F152-C155 WeakPolarHBondContact O-CB 3.42Å; F152-C155 PolarHBondContact O-N 2.95Å; F152-C155 VanDerWaalsContact O-N 3.08Å; F152-M160 HydrophobicContact CE1-CE 4.32Å; F152-M160 HydrophobicContact CE2-CG 4.3Å; F152-M160 HydrophobicContact CZ-CE 4.23Å; F152-M160 HydrophobicContact CZ-CG 4.12Å; F152-G164 VanDerWaalsContact CE2-O 3.3Å; F152-G164 WeakPolarHBondContact CE2-O 3.05Å; F152-C167 HydrophobicContact CD2-CB 4.26Å; F152-C167 HydrophobicContact CE2-CB 4.29Å; F152-T169 HydrophobicContact CB-CG2 4.15Å
153S97.2Very high88.5Confident9 Ų945.5 Ų45.56%0.06326%0.261CS..G310 helixtrans-64.9-16.2176.958.60000114.2D108 Q111 P151 C155D108-S153 VanDerWaalsContact OD1-CB 3.28Å; D108-S153 WeakPolarHBondContact OD1-CB 3.46Å; D108-S153 PolarHBondContact OD1-OG 3.48Å; Q111-S153 PolarHBondContact NE2-OG 3.4Å; P151-S153 WeakPolarHBondContact CB-OG 3.49Å; P151-S153 PolarHBondContact O-N 2.97Å; S153-C155 VanDerWaalsContact C-N 3.29Å
154C97.6Very high90.6Very high0 Ų045 Ų450%026%0.255CS..G310 helixtrans-76-14.5172.5-84.50000114.2Q111 C117 W125 V150 P151 F152 L183 N184Q111-C154 VanDerWaalsContact CD-SG 3.52Å; Q111-C154 PolarHBondContact OE1-SG 2.82Å; C117-C154 VanDerWaalsContact CA-SG 3.54Å; C117-C154 HydrophobicContact CB-CB 3.64Å; C117-C154 WeakPolarHBondContact CB-SG 2.92Å; C117-C154 WeakPolarHBondContact SG-CB 3.41Å; C117-C154 CovalentContact SG-SG 2.03Å; C117-C154 PolarHBondContact SG-SG 3.4Å; W125-C154 PolarHBondContact NE1-SG 3.27Å; W125-C154 VanDerWaalsContact NE1-SG 3.37Å; V150-C154 HydrophobicContact CB-CB 4Å; V150-C154 HydrophobicContact CG2-CB 3.73Å; P151-C154 VanDerWaalsContact O-CB 3.3Å; P151-C154 WeakPolarHBondContact O-CB 3.43Å; P151-C154 PolarHBondContact O-N 3.31Å; F152-C154 PolarHBondContact O-N 3.45Å; C154-L183 HydrophobicContact CB-CD2 4.33Å; C154-N184 PolarHBondContact O-N 3.43Å; C154-N184 PolarHBondContact O-ND2 3.34Å; C154-N184 VanDerWaalsContact O-ND2 3.11Å
155C98.1Very high92.4Very high3 Ų348.5 Ų48.52%0.0227%0.268CS..BIsolated β-bridgetrans-71.4139.5-173.1-70.60000112F152 S153 M160 C167 N184F152-C155 VanDerWaalsContact O-CB 3.26Å; F152-C155 WeakPolarHBondContact O-CB 3.42Å; F152-C155 PolarHBondContact O-N 2.95Å; F152-C155 VanDerWaalsContact O-N 3.08Å; S153-C155 VanDerWaalsContact C-N 3.29Å; C155-M160 HydrophobicContact CB-CE 4.24Å; C155-M160 HydrophobicContact CB-CG 3.96Å; C155-M160 WeakPolarHBondContact O-CE 3.41Å; C155-C167 HydrophobicContact CB-CB 3.87Å; C155-C167 WeakPolarHBondContact CB-SG 3.27Å; C155-C167 WeakPolarHBondContact SG-CB 3.03Å; C155-C167 PolarHBondContact SG-O 2.8Å; C155-C167 CovalentContact SG-SG 2.01Å; C155-C167 PolarHBondContact SG-SG 3.21Å; C155-N184 PolarHBondContact O-ND2 2.99Å
156N97.4Very high93.7Very high34 Ų3450.8 Ų50.818%0.18227%0.269CS..  trans-86.7176.517070.629.1000110L158 G159 M160 P181 Y182 L183 N184N156-L158 PolarHBondContact O-N 2.97Å; N156-L158 WeakPolarHBondContact OD1-CA 3.31Å; N156-L158 VanDerWaalsContact OD1-CB 3.3Å; N156-L158 WeakPolarHBondContact OD1-CB 3.42Å; N156-L158 PolarHBondContact OD1-N 3.44Å; N156-G159 PolarHBondContact O-N 3.42Å; N156-G159 PolarHBondContact OD1-N 2.7Å; N156-M160 WeakPolarHBondContact O-CG 3.36Å; N156-M160 PolarHBondContact O-N 2.87Å; N156-P181 PolarHBondContact ND2-O 2.88Å; N156-Y182 VanDerWaalsContact CG-C 3.45Å; N156-Y182 PolarHBondContact N-O 2.81Å; N156-Y182 VanDerWaalsContact ND2-C 3.32Å; N156-Y182 PolarHBondContact OD1-O 2.89Å; N156-L183 PolarHBondContact ND2-N 3.22Å; N156-L183 PolarHBondContact ND2-O 3.21Å; N156-N184 WeakPolarHBondContact CB-OD1 3.3Å
157A96.5Very high94.6Very high85 Ų8549.8 Ų49.870%0.70226%0.259SS*.Hα-helixtrans-58.3-33.4-179.400000113.3R161A157-R161 WeakPolarHBondContact O-CB 3.41Å; A157-R161 PolarHBondContact O-N 3.48Å; A157-R161 VanDerWaalsContact O-N 3.08Å
158L96.7Very high95.2Very high59 Ų5947.3 Ų47.331%0.30925%0.246SC..Hα-helixtrans-69.8-46.5177.3-176.164.5000111.1N156 M160 R161 E162 Y182N156-L158 PolarHBondContact O-N 2.97Å; N156-L158 WeakPolarHBondContact OD1-CA 3.31Å; N156-L158 VanDerWaalsContact OD1-CB 3.3Å; N156-L158 WeakPolarHBondContact OD1-CB 3.42Å; N156-L158 PolarHBondContact OD1-N 3.44Å; L158-M160 PolarHBondContact O-N 2.9Å; L158-R161 VanDerWaalsContact CD1-NH2 3.28Å; L158-R161 WeakPolarHBondContact O-CB 3.21Å; L158-R161 PolarHBondContact O-N 3.4Å; L158-R161 VanDerWaalsContact O-N 3.13Å; L158-E162 HydrophobicContact CD1-CG 4.2Å; L158-E162 VanDerWaalsContact CD1-OE1 3.32Å; L158-E162 WeakPolarHBondContact CD1-OE1 3.39Å; L158-E162 PolarHBondContact O-N 3.11Å; L158-Y182 HydrophobicContact CD2-CD1 4.25Å; L158-Y182 HydrophobicContact CD2-CE1 4.17Å; L158-Y182 HydrophobicContact CG-CD1 4.04Å; L158-Y182 HydrophobicContact CG-CE1 4.09Å
159G96.6Very high95.5Very high0 Ų048.7 Ų48.70%025%0.254CS..Hα-helixtrans-59.9-43.9176.600000112.6N156 R161 E162 H163 C167N156-G159 PolarHBondContact O-N 3.42Å; N156-G159 PolarHBondContact OD1-N 2.7Å; G159-R161 VanDerWaalsContact C-N 3.3Å; G159-R161 PolarHBondContact O-N 2.91Å; G159-E162 PolarHBondContact O-N 3.19Å; G159-H163 WeakPolarHBondContact O-CB 3.47Å; G159-H163 PolarHBondContact O-N 2.96Å; G159-C167 VanDerWaalsContact C-SG 3.53Å
160M95.5Very high95.4Very high80 Ų8049.7 Ų49.739%0.39426%0.264SS..Hα-helixtrans-62.3-37.8174.4-67.9178.8179.400112.2F152 C155 N156 L158 G164F152-M160 HydrophobicContact CE1-CE 4.32Å; F152-M160 HydrophobicContact CE2-CG 4.3Å; F152-M160 HydrophobicContact CZ-CE 4.23Å; F152-M160 HydrophobicContact CZ-CG 4.12Å; C155-M160 HydrophobicContact CB-CE 4.24Å; C155-M160 HydrophobicContact CB-CG 3.96Å; C155-M160 WeakPolarHBondContact O-CE 3.41Å; N156-M160 WeakPolarHBondContact O-CG 3.36Å; N156-M160 PolarHBondContact O-N 2.87Å; L158-M160 PolarHBondContact O-N 2.9Å; M160-G164 WeakPolarHBondContact O-CA 3.35Å; M160-G164 PolarHBondContact O-N 3.45Å
161R96.8Very high95.1Very high186 Ų18649.7 Ų49.770%0.70226%0.264SS*.Hα-helixtrans-70.2-42.9179-171.7-176.272.9168.83.7112.6A157 L158 G159A157-R161 WeakPolarHBondContact O-CB 3.41Å; A157-R161 PolarHBondContact O-N 3.48Å; A157-R161 VanDerWaalsContact O-N 3.08Å; L158-R161 VanDerWaalsContact CD1-NH2 3.28Å; L158-R161 WeakPolarHBondContact O-CB 3.21Å; L158-R161 PolarHBondContact O-N 3.4Å; L158-R161 VanDerWaalsContact O-N 3.13Å; G159-R161 VanDerWaalsContact C-N 3.3Å; G159-R161 PolarHBondContact O-N 2.91Å
162E96Very high94.5Very high97 Ų9751.5 Ų51.545%0.45327%0.273SS..Hα-helixtrans-87.8-34.4-173-67.9-167.5-172.900113.5L158 G159 Y182L158-E162 HydrophobicContact CD1-CG 4.2Å; L158-E162 VanDerWaalsContact CD1-OE1 3.32Å; L158-E162 WeakPolarHBondContact CD1-OE1 3.39Å; L158-E162 PolarHBondContact O-N 3.11Å; G159-E162 PolarHBondContact O-N 3.19Å; E162-Y182 HydrophobicContact CB-CE1 4.21Å; E162-Y182 HydrophobicContact CG-CE1 4.38Å; E162-Y182 WeakPolarHBondContact OE2-CE1 3.38Å; E162-Y182 PolarHBondContact OE2-OH 3.02Å
163H94.8Very high94Very high59 Ų5956.3 Ų56.327%0.27329%0.294SS..Hα-helixtrans-109.5-9-177.5-67.5-88.9000113.9G159 L165 N166 C167 Y171 Y182G159-H163 WeakPolarHBondContact O-CB 3.47Å; G159-H163 PolarHBondContact O-N 2.96Å; H163-L165 PolarHBondContact O-N 2.77Å; H163-N166 WeakPolarHBondContact O-CB 2.93Å; H163-N166 PolarHBondContact O-N 3Å; H163-N166 VanDerWaalsContact O-N 3.07Å; H163-C167 HydrophobicContact CB-CB 3.81Å; H163-Y171 PolarHBondContact CD2-OH 3.23Å; H163-Y171 AromaticContact CE1-CE1 3.95Å; H163-Y171 AromaticContact ND1-CE1 3.96Å; H163-Y182 AromaticContact NE2-CD2 3.86Å; H163-Y182 AromaticContact NE2-CE2 3.75Å; H163-Y182 AromaticContact NE2-CZ 3.92Å
164G94.6Very high93.5Very high32 Ų3259.5 Ų59.533%0.3331%0.309SS..G310 helixtrans54.7-138.5-177.100000111.4F152 M160 N166 C167F152-G164 VanDerWaalsContact CE2-O 3.3Å; F152-G164 WeakPolarHBondContact CE2-O 3.05Å; M160-G164 WeakPolarHBondContact O-CA 3.35Å; M160-G164 PolarHBondContact O-N 3.45Å; G164-N166 PolarHBondContact O-N 3.42Å; G164-N166 VanDerWaalsContact O-N 3.08Å; G164-C167 WeakPolarHBondContact O-CB 3.42Å; G164-C167 PolarHBondContact O-N 2.9Å; G164-C167 VanDerWaalsContact O-N 3.09Å
165L93.4Very high93.1Very high144 Ų14461.9 Ų61.975%0.75433%0.325SS*.G310 helixtrans-62.2-14.1178.2-65.9166.7000114.3H163 C167 T169H163-L165 PolarHBondContact O-N 2.77Å; L165-C167 VanDerWaalsContact C-N 3.35Å; L165-T169 PolarHBondContact O-OG1 2.03Å
166N94.4Very high92.7Very high94 Ų9461.8 Ų61.850%0.50332%0.324SS..G310 helixtrans-89.3-2.8178.7-61.2-37.7000112.9H163 G164 G168 T169 T170H163-N166 WeakPolarHBondContact O-CB 2.93Å; H163-N166 PolarHBondContact O-N 3Å; H163-N166 VanDerWaalsContact O-N 3.07Å; G164-N166 PolarHBondContact O-N 3.42Å; G164-N166 VanDerWaalsContact O-N 3.08Å; N166-G168 PolarHBondContact O-N 3.25Å; N166-T169 PolarHBondContact O-OG1 3.1Å; N166-T170 HydrophobicContact CB-CG2 3.95Å; N166-T170 PolarHBondContact O-N 2.78Å; N166-T170 PolarHBondContact O-OG1 2.87Å
167C96.2Very high92.4Very high0 Ų065.7 Ų65.70%034%0.344CS..THydrogen-bonded Turntrans-59.1131.9176.6-177.30000110.7F152 C155 G159 H163 G164 L165 T169F152-C167 HydrophobicContact CD2-CB 4.26Å; F152-C167 HydrophobicContact CE2-CB 4.29Å; C155-C167 HydrophobicContact CB-CB 3.87Å; C155-C167 WeakPolarHBondContact CB-SG 3.27Å; C155-C167 WeakPolarHBondContact SG-CB 3.03Å; C155-C167 PolarHBondContact SG-O 2.8Å; C155-C167 CovalentContact SG-SG 2.01Å; C155-C167 PolarHBondContact SG-SG 3.21Å; G159-C167 VanDerWaalsContact C-SG 3.53Å; H163-C167 HydrophobicContact CB-CB 3.81Å; G164-C167 WeakPolarHBondContact O-CB 3.42Å; G164-C167 PolarHBondContact O-N 2.9Å; G164-C167 VanDerWaalsContact O-N 3.09Å; L165-C167 VanDerWaalsContact C-N 3.35Å; C167-T169 PolarHBondContact O-N 2.95Å
168G94.1Very high92.2Very high0 Ų067.1 Ų67.10%034%0.338CS..THydrogen-bonded Turntrans75-47.9-178.500000114.1R149 V150 N166 T170 Y171R149-G168 VanDerWaalsContact CB-O 3.29Å; R149-G168 WeakPolarHBondContact CB-O 3.48Å; V150-G168 PolarHBondContact N-O 3.38Å; V150-G168 CarbonylContact O-C 3.55Å; V150-G168 WeakPolarHBondContact O-CA 3.33Å; N166-G168 PolarHBondContact O-N 3.25Å; G168-T170 VanDerWaalsContact C-N 3.33Å; G168-T170 PolarHBondContact O-N 3.49Å; G168-Y171 VanDerWaalsContact CA-CD2 3.47Å; G168-Y171 VanDerWaalsContact N-CE2 3.31Å; G168-Y171 PolarHBondContact O-N 3.03Å
169T91.6Very high92.1Very high32 Ų3266.1 Ų66.120%0.19633%0.33CS..THydrogen-bonded Turntrans-71.7-22.6-168610000114.2V150 F152 L165 N166 C167V150-T169 PolarHBondContact O-N 3.42Å; F152-T169 HydrophobicContact CB-CG2 4.15Å; L165-T169 PolarHBondContact O-OG1 2.03Å; N166-T169 PolarHBondContact O-OG1 3.1Å; C167-T169 PolarHBondContact O-N 2.95Å
170T88.8Confident92Very high52 Ų5269.9 Ų69.932%0.31935%0.347SS..THydrogen-bonded Turntrans-112.719.1178.269.80000113.7N166 G168 D172N166-T170 HydrophobicContact CB-CG2 3.95Å; N166-T170 PolarHBondContact O-N 2.78Å; N166-T170 PolarHBondContact O-OG1 2.87Å; G168-T170 VanDerWaalsContact C-N 3.33Å; G168-T170 PolarHBondContact O-N 3.49Å; T170-D172 PolarHBondContact O-N 3.47Å
171Y88.8Confident92.1Very high1 Ų169.7 Ų69.70%0.00435%0.353CS..  trans-81.752.6179.2-65.6-11.5000112.2G148 H163 G168 L176 Y179 Y182 L183G148-Y171 CarbonylContact C-O 3.26Å; H163-Y171 PolarHBondContact CD2-OH 3.23Å; H163-Y171 AromaticContact CE1-CE1 3.95Å; H163-Y171 AromaticContact ND1-CE1 3.96Å; G168-Y171 VanDerWaalsContact CA-CD2 3.47Å; G168-Y171 VanDerWaalsContact N-CE2 3.31Å; G168-Y171 PolarHBondContact O-N 3.03Å; Y171-L176 HydrophobicContact CD2-CD1 4.1Å; Y171-Y179 AromaticContact CD1-CD1 3.62Å; Y171-Y179 HydrophobicContact CD1-CD1 3.62Å; Y171-Y179 HydrophobicContact CD1-CD2 4.09Å; Y171-Y179 AromaticContact CD1-CE1 3.62Å; Y171-Y179 HydrophobicContact CD1-CE1 3.62Å; Y171-Y179 HydrophobicContact CD1-CE2 4.09Å; Y171-Y179 AromaticContact CD1-CG 3.86Å; Y171-Y179 HydrophobicContact CD1-CG 3.86Å; Y171-Y179 AromaticContact CD1-CZ 3.87Å; Y171-Y179 VanDerWaalsContact CD2-CB 3.5Å; Y171-Y179 HydrophobicContact CD2-CD1 4.06Å; Y171-Y179 AromaticContact CD2-CD2 3.89Å; Y171-Y179 HydrophobicContact CD2-CD2 3.89Å; Y171-Y179 AromaticContact CD2-CG 3.56Å; Y171-Y179 HydrophobicContact CD2-CG 3.56Å; Y171-Y179 AromaticContact CE1-CD1 3.52Å; Y171-Y179 HydrophobicContact CE1-CD1 3.52Å; Y171-Y179 AromaticContact CE1-CE1 3.75Å; Y171-Y179 HydrophobicContact CE1-CE1 3.75Å; Y171-Y179 HydrophobicContact CE1-CG 4.06Å; Y171-Y179 VanDerWaalsContact CE2-CB 3.49Å; Y171-Y179 AromaticContact CE2-CD1 3.99Å; Y171-Y179 HydrophobicContact CE2-CD1 3.99Å; Y171-Y179 AromaticContact CE2-CG 3.79Å; Y171-Y179 HydrophobicContact CE2-CG 3.79Å; Y171-Y179 AromaticContact CG-CD1 3.89Å; Y171-Y179 HydrophobicContact CG-CD1 3.89Å; Y171-Y179 AromaticContact CG-CD2 3.63Å; Y171-Y179 HydrophobicContact CG-CD2 3.63Å; Y171-Y179 HydrophobicContact CG-CE1 4.18Å; Y171-Y179 AromaticContact CG-CE2 3.92Å; Y171-Y179 HydrophobicContact CG-CE2 3.92Å; Y171-Y179 AromaticContact CG-CG 3.6Å; Y171-Y179 HydrophobicContact CG-CG 3.6Å; Y171-Y179 AromaticContact CZ-CD1 3.7Å; Y171-Y182 VanDerWaalsContact OH-CB 3.28Å; Y171-Y182 WeakPolarHBondContact OH-CB 3.35Å; Y171-L183 HydrophobicContact CD2-CD2 4.46Å; Y171-L183 HydrophobicContact CE2-CD1 4.49Å; Y171-L183 HydrophobicContact CE2-CD2 3.89Å; Y171-L183 HydrophobicContact CE2-CG 4.25Å
172D83.6Confident92.1Very high37 Ų3763.4 Ų63.420%0.19833%0.329CS..  trans-107.82.7-174.554.29.4000114.2K134 I147 T170K134-D172 IonicContact NZ-OD2 2.73Å; K134-D172 PolarHBondContact NZ-OD2 3.4Å; I147-D172 WeakPolarHBondContact CG2-O 3.26Å; T170-D172 PolarHBondContact O-N 3.47Å
173K84.5Confident92.1Very high178 Ų17858.9 Ų58.977%0.77431%0.308SS*.SBendtrans-100.4-15.2-175-58.7-176.4-177.5177.70114.9
174M86.6Confident92.3Very high77 Ų7756.9 Ų56.938%0.37930%0.299SS..SBendtrans-151.8154.8-167.4-168.9168.7-9000109.2L176 M178 Y179M174-L176 PolarHBondContact O-N 3.44Å; M174-M178 HydrophobicContact CE-CE 3.77Å; M174-M178 HydrophobicContact CE-SD 4.21Å; M174-M178 HydrophobicContact CG-CB 3.91Å; M174-M178 HydrophobicContact CG-CE 3.46Å; M174-M178 VanDerWaalsContact CG-CE 3.46Å; M174-M178 HydrophobicContact CG-CG 3.8Å; M174-M178 HydrophobicContact CG-SD 3.88Å; M174-M178 HydrophobicContact SD-CB 3.74Å; M174-M178 HydrophobicContact SD-CE 3.38Å; M174-M178 WeakPolarHBondContact SD-CE 3.26Å; M174-M178 HydrophobicContact SD-CG 3.79Å; M174-M178 HydrophobicContact SD-SD 3.26Å; M174-Y179 HydrophobicContact CB-CE2 3.91Å
175P89.2Confident92.3Very high50 Ų5059.2 Ų59.233%0.32531%0.307SS..BIsolated β-bridgetrans-54.5135.6176.4-2735.5000111.3G145 G146 I147 L177 M178G145-P175 WeakPolarHBondContact O-CB 3.4Å; G145-P175 WeakPolarHBondContact O-CG 3.05Å; G146-P175 CarbonylContact O-C 3.33Å; G146-P175 WeakPolarHBondContact O-CA 3.4Å; I147-P175 HydrophobicContact CG1-CG 4.45Å; P175-L177 PolarHBondContact O-N 3.11Å; P175-L177 VanDerWaalsContact O-N 3.09Å; P175-M178 WeakPolarHBondContact O-CB 3.45Å; P175-M178 PolarHBondContact O-N 3.06Å
176L90.7Very high92.5Very high1 Ų159.3 Ų59.31%0.00530%0.301CS..G310 helixtrans-58.8-27.2-173-173.257.5000113Y122 L126 G146 G148 V150 Y171 M174 M178 Y179 L183Y122-L176 HydrophobicContact CD2-CD2 3.85Å; Y122-L176 HydrophobicContact CD2-CG 3.84Å; Y122-L176 HydrophobicContact CE2-CD2 4.47Å; Y122-L176 HydrophobicContact CE2-CG 4.13Å; L126-L176 HydrophobicContact CD2-CB 4.03Å; L126-L176 HydrophobicContact CD2-CD2 3.88Å; L126-L176 HydrophobicContact CG-CD2 4.07Å; G146-L176 WeakPolarHBondContact O-CB 3.34Å; G146-L176 PolarHBondContact O-N 3.5Å; G148-L176 WeakPolarHBondContact O-CD1 3.29Å; V150-L176 HydrophobicContact CG1-CD1 4.13Å; V150-L176 HydrophobicContact CG1-CD2 3.67Å; V150-L176 HydrophobicContact CG1-CG 4.47Å; Y171-L176 HydrophobicContact CD2-CD1 4.1Å; M174-L176 PolarHBondContact O-N 3.44Å; L176-M178 PolarHBondContact O-N 3.37Å; L176-Y179 PolarHBondContact O-N 2.99Å; L176-L183 HydrophobicContact CD1-CD1 3.84Å; L176-L183 HydrophobicContact CG-CD1 4.38Å
177L91.6Very high92.6Very high115 Ų11554.9 Ų54.960%0.60228%0.279SS*.G310 helixtrans-55.3-32.8171.7-175.868000112.9Y122 P175 Y179 E180Y122-L177 VanDerWaalsContact OH-CD1 3.26Å; Y122-L177 WeakPolarHBondContact OH-CD1 3.27Å; P175-L177 PolarHBondContact O-N 3.11Å; P175-L177 VanDerWaalsContact O-N 3.09Å; L177-Y179 PolarHBondContact O-N 3.36Å; L177-E180 WeakPolarHBondContact O-CB 3.28Å; L177-E180 PolarHBondContact O-N 3.04Å
178M92.5Very high92.7Very high116 Ų11654.9 Ų54.957%0.57128%0.279SS*.G310 helixtrans-69.5-18.1177.2-66.6-131.2-134.200113.1M174 P175 L176M174-M178 HydrophobicContact CE-CE 3.77Å; M174-M178 HydrophobicContact CE-SD 4.21Å; M174-M178 HydrophobicContact CG-CB 3.91Å; M174-M178 HydrophobicContact CG-CE 3.46Å; M174-M178 VanDerWaalsContact CG-CE 3.46Å; M174-M178 HydrophobicContact CG-CG 3.8Å; M174-M178 HydrophobicContact CG-SD 3.88Å; M174-M178 HydrophobicContact SD-CB 3.74Å; M174-M178 HydrophobicContact SD-CE 3.38Å; M174-M178 WeakPolarHBondContact SD-CE 3.26Å; M174-M178 HydrophobicContact SD-CG 3.79Å; M174-M178 HydrophobicContact SD-SD 3.26Å; P175-M178 WeakPolarHBondContact O-CB 3.45Å; P175-M178 PolarHBondContact O-N 3.06Å; L176-M178 PolarHBondContact O-N 3.37Å
179Y93.9Very high92.9Very high37 Ų3755.3 Ų55.315%0.14528%0.281CS..G310 helixtrans-99.45.4176.9-59.7-75.1000113.3Y171 M174 L176 L177 P181 Y182Y171-Y179 AromaticContact CD1-CD1 3.62Å; Y171-Y179 HydrophobicContact CD1-CD1 3.62Å; Y171-Y179 HydrophobicContact CD1-CD2 4.09Å; Y171-Y179 AromaticContact CD1-CE1 3.62Å; Y171-Y179 HydrophobicContact CD1-CE1 3.62Å; Y171-Y179 HydrophobicContact CD1-CE2 4.09Å; Y171-Y179 AromaticContact CD1-CG 3.86Å; Y171-Y179 HydrophobicContact CD1-CG 3.86Å; Y171-Y179 AromaticContact CD1-CZ 3.87Å; Y171-Y179 VanDerWaalsContact CD2-CB 3.5Å; Y171-Y179 HydrophobicContact CD2-CD1 4.06Å; Y171-Y179 AromaticContact CD2-CD2 3.89Å; Y171-Y179 HydrophobicContact CD2-CD2 3.89Å; Y171-Y179 AromaticContact CD2-CG 3.56Å; Y171-Y179 HydrophobicContact CD2-CG 3.56Å; Y171-Y179 AromaticContact CE1-CD1 3.52Å; Y171-Y179 HydrophobicContact CE1-CD1 3.52Å; Y171-Y179 AromaticContact CE1-CE1 3.75Å; Y171-Y179 HydrophobicContact CE1-CE1 3.75Å; Y171-Y179 HydrophobicContact CE1-CG 4.06Å; Y171-Y179 VanDerWaalsContact CE2-CB 3.49Å; Y171-Y179 AromaticContact CE2-CD1 3.99Å; Y171-Y179 HydrophobicContact CE2-CD1 3.99Å; Y171-Y179 AromaticContact CE2-CG 3.79Å; Y171-Y179 HydrophobicContact CE2-CG 3.79Å; Y171-Y179 AromaticContact CG-CD1 3.89Å; Y171-Y179 HydrophobicContact CG-CD1 3.89Å; Y171-Y179 AromaticContact CG-CD2 3.63Å; Y171-Y179 HydrophobicContact CG-CD2 3.63Å; Y171-Y179 HydrophobicContact CG-CE1 4.18Å; Y171-Y179 AromaticContact CG-CE2 3.92Å; Y171-Y179 HydrophobicContact CG-CE2 3.92Å; Y171-Y179 AromaticContact CG-CG 3.6Å; Y171-Y179 HydrophobicContact CG-CG 3.6Å; Y171-Y179 AromaticContact CZ-CD1 3.7Å; M174-Y179 HydrophobicContact CB-CE2 3.91Å; L176-Y179 PolarHBondContact O-N 2.99Å; L177-Y179 PolarHBondContact O-N 3.36Å; Y179-P181 VanDerWaalsContact C-N 3.3Å; Y179-Y182 HydrophobicContact CD1-CD2 4.15Å; Y179-Y182 HydrophobicContact CD1-CE2 4.48Å; Y179-Y182 WeakPolarHBondContact O-CB 3.44Å; Y179-Y182 PolarHBondContact O-N 2.84Å
180E94.8Very high93.1Very high79 Ų7959 Ų5937%0.36930%0.299SS..G310 helixtrans-47.8-42.2178.6-173.1-173.7108.800113.8Y122 L177 Y182 L183 T185Y122-E180 HydrophobicContact CE1-CB 4.44Å; Y122-E180 HydrophobicContact CE1-CG 3.82Å; Y122-E180 PolarHBondContact OH-OE2 3.37Å; L177-E180 WeakPolarHBondContact O-CB 3.28Å; L177-E180 PolarHBondContact O-N 3.04Å; E180-Y182 PolarHBondContact O-N 3.32Å; E180-L183 PolarHBondContact O-N 3.35Å; E180-T185 HydrophobicContact CG-CG2 3.54Å
181P96.3Very high93.5Very high77 Ų7757.3 Ų57.350%0.529%0.291SS..G310 helixtrans-60.4-19.7179.3-24.835.9000114.8N156 Y179N156-P181 PolarHBondContact ND2-O 2.88Å; Y179-P181 VanDerWaalsContact C-N 3.3Å
182Y96.8Very high93.8Very high53 Ų5359.5 Ų59.521%0.20830%0.304CS..G310 helixtrans-97.3-6.6-178.1-56.2-58.7000113.5N156 L158 E162 H163 Y171 Y179 E180N156-Y182 VanDerWaalsContact CG-C 3.45Å; N156-Y182 PolarHBondContact N-O 2.81Å; N156-Y182 VanDerWaalsContact ND2-C 3.32Å; N156-Y182 PolarHBondContact OD1-O 2.89Å; L158-Y182 HydrophobicContact CD2-CD1 4.25Å; L158-Y182 HydrophobicContact CD2-CE1 4.17Å; L158-Y182 HydrophobicContact CG-CD1 4.04Å; L158-Y182 HydrophobicContact CG-CE1 4.09Å; E162-Y182 HydrophobicContact CB-CE1 4.21Å; E162-Y182 HydrophobicContact CG-CE1 4.38Å; E162-Y182 WeakPolarHBondContact OE2-CE1 3.38Å; E162-Y182 PolarHBondContact OE2-OH 3.02Å; H163-Y182 AromaticContact NE2-CD2 3.86Å; H163-Y182 AromaticContact NE2-CE2 3.75Å; H163-Y182 AromaticContact NE2-CZ 3.92Å; Y171-Y182 VanDerWaalsContact OH-CB 3.28Å; Y171-Y182 WeakPolarHBondContact OH-CB 3.35Å; Y179-Y182 HydrophobicContact CD1-CD2 4.15Å; Y179-Y182 HydrophobicContact CD1-CE2 4.48Å; Y179-Y182 WeakPolarHBondContact O-CB 3.44Å; Y179-Y182 PolarHBondContact O-N 2.84Å; E180-Y182 PolarHBondContact O-N 3.32Å
183L97.8Very high94.4Very high3 Ų359.2 Ų59.22%0.01630%0.301CS..BIsolated β-bridgetrans-113.8158.3-174.8-59.1-178.9000111Y122 V150 C154 N156 Y171 L176 E180 T185Y122-L183 HydrophobicContact CD2-CD1 4.12Å; Y122-L183 HydrophobicContact CG-CD1 4.21Å; V150-L183 HydrophobicContact CG1-CD1 4.29Å; V150-L183 HydrophobicContact CG2-CD1 3.85Å; V150-L183 HydrophobicContact CG2-CD2 3.48Å; V150-L183 VanDerWaalsContact CG2-CD2 3.48Å; V150-L183 HydrophobicContact CG2-CG 4.32Å; C154-L183 HydrophobicContact CB-CD2 4.33Å; N156-L183 PolarHBondContact ND2-N 3.22Å; N156-L183 PolarHBondContact ND2-O 3.21Å; Y171-L183 HydrophobicContact CD2-CD2 4.46Å; Y171-L183 HydrophobicContact CE2-CD1 4.49Å; Y171-L183 HydrophobicContact CE2-CD2 3.89Å; Y171-L183 HydrophobicContact CE2-CG 4.25Å; L176-L183 HydrophobicContact CD1-CD1 3.84Å; L176-L183 HydrophobicContact CG-CD1 4.38Å; E180-L183 PolarHBondContact O-N 3.35Å; L183-T185 PolarHBondContact O-N 3.14Å
184N97.6Very high94.8Very high17 Ų1752.2 Ų52.29%0.09128%0.279CS..  trans-72.9121.2166-64.9-49.2000108.8H115 C117 C154 C155 N156H115-N184 VanDerWaalsContact C-CG 3.44Å; H115-N184 WeakPolarHBondContact O-CB 3.49Å; C117-N184 HydrophobicContact CB-CB 4.21Å; C117-N184 WeakPolarHBondContact CB-O 3.11Å; C154-N184 PolarHBondContact O-N 3.43Å; C154-N184 PolarHBondContact O-ND2 3.34Å; C154-N184 VanDerWaalsContact O-ND2 3.11Å; C155-N184 PolarHBondContact O-ND2 2.99Å; N156-N184 WeakPolarHBondContact CB-OD1 3.3Å
185T95.8Very high95.1Very high80 Ų8053.3 Ų53.349%0.49128%0.282SS..  trans-83.6-17.3-177.656.40000113.6E180 L183E180-T185 HydrophobicContact CG-CG2 3.54Å; L183-T185 PolarHBondContact O-N 3.14Å
186K96.2Very high95.2Very high146 Ų14655.7 Ų55.764%0.63529%0.287SS*.SBendtrans-76.6129.5178.1-63.5-179.9-177.2175.50110.2C116 C117C116-K186 CarbonylContact C-O 3.59Å; C116-K186 WeakPolarHBondContact CA-O 3.23Å; C116-K186 WeakPolarHBondContact CB-O 3.37Å; C117-K186 PolarHBondContact N-O 3.38Å
187G97.8Very high95.3Very high2 Ų260.9 Ų60.92%0.02131%0.307CS..  trans-66.3144.8167.700000112.8V119 K120 L189 N190 A191V119-G187 CarbonylContact O-C 3.05Å; V119-G187 VanDerWaalsContact O-C 3.26Å; V119-G187 VanDerWaalsContact O-CA 3.31Å; V119-G187 WeakPolarHBondContact O-CA 3.48Å; K120-G187 WeakPolarHBondContact O-CA 3.38Å; K120-G187 PolarHBondContact O-N 3.17Å; G187-L189 VanDerWaalsContact C-N 3.33Å; G187-L189 PolarHBondContact O-N 2.95Å; G187-N190 PolarHBondContact O-N 3.24Å; G187-A191 WeakPolarHBondContact O-CB 3.49Å; G187-A191 PolarHBondContact O-N 2.92Å
188C98.3Very high95.4Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-68.7-29-178.8-67.90000114I110 Q111 C116 G118 V119 A191 V192I110-C188 HydrophobicContact CG2-CB 4.06Å; Q111-C188 VanDerWaalsContact CG-SG 3.59Å; C116-C188 VanDerWaalsContact C-SG 3.56Å; C116-C188 HydrophobicContact CB-CB 3.91Å; C116-C188 WeakPolarHBondContact CB-SG 3.37Å; C116-C188 WeakPolarHBondContact SG-CA 3.39Å; C116-C188 WeakPolarHBondContact SG-CB 3.36Å; C116-C188 CovalentContact SG-SG 2.04Å; C116-C188 PolarHBondContact SG-SG 3Å; G118-C188 WeakPolarHBondContact O-CB 3.32Å; G118-C188 PolarHBondContact O-N 2.78Å; G118-C188 PolarHBondContact O-SG 2.81Å; G118-C188 VanDerWaalsContact O-SG 3.39Å; V119-C188 PolarHBondContact O-N 2.79Å; C188-A191 PolarHBondContact O-N 3.25Å; C188-V192 WeakPolarHBondContact O-CB 3.3Å; C188-V192 VanDerWaalsContact O-CG2 3.23Å; C188-V192 WeakPolarHBondContact O-CG2 3.4Å; C188-V192 PolarHBondContact O-N 3.42Å
189L97.7Very high95.4Very high8 Ų859.5 Ų59.54%0.04230%0.298CS..Hα-helixtrans-58.9-52174.1-172.970.5000110.6I85 E86 M89 V119 G187 A191 V192 Y193I85-L189 HydrophobicContact CG2-CD1 3.94Å; E86-L189 HydrophobicContact CB-CD1 3.99Å; E86-L189 HydrophobicContact CB-CD2 3.72Å; E86-L189 HydrophobicContact CG-CD2 3.72Å; M89-L189 HydrophobicContact CE-CD1 4.35Å; M89-L189 HydrophobicContact SD-CB 4.08Å; M89-L189 HydrophobicContact SD-CD1 3.79Å; V119-L189 HydrophobicContact CG1-CB 3.99Å; V119-L189 HydrophobicContact CG1-CD2 4.37Å; V119-L189 WeakPolarHBondContact O-CB 3.41Å; V119-L189 PolarHBondContact O-N 2.87Å; G187-L189 VanDerWaalsContact C-N 3.33Å; G187-L189 PolarHBondContact O-N 2.95Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 2.94Å; L189-V192 PolarHBondContact O-N 2.88Å; L189-Y193 HydrophobicContact CD1-CD2 4.28Å; L189-Y193 HydrophobicContact CD1-CE2 3.51Å; L189-Y193 HydrophobicContact CG-CD2 4.06Å; L189-Y193 HydrophobicContact CG-CE2 3.69Å; L189-Y193 WeakPolarHBondContact O-CD2 2.93Å; L189-Y193 PolarHBondContact O-N 3.19Å
190N96.3Very high95.4Very high109 Ų10960.3 Ų60.358%0.58331%0.305SS*.Hα-helixtrans-66.6-35.6178-74.4-20.1000112.2G187 G194G187-N190 PolarHBondContact O-N 3.24Å; N190-G194 PolarHBondContact O-N 3.21Å
191A96.8Very high95.3Very high18 Ų1862.9 Ų62.915%0.14932%0.321CS..Hα-helixtrans-66.9-43176.700000112L114 C116 G187 C188 L189 G194 K195L114-A191 HydrophobicContact CB-CB 4.14Å; L114-A191 HydrophobicContact CD1-CB 4.45Å; C116-A191 HydrophobicContact CB-CB 3.76Å; G187-A191 WeakPolarHBondContact O-CB 3.49Å; G187-A191 PolarHBondContact O-N 2.92Å; C188-A191 PolarHBondContact O-N 3.25Å; L189-A191 VanDerWaalsContact C-N 3.34Å; L189-A191 PolarHBondContact O-N 2.94Å; A191-G194 PolarHBondContact O-N 3.08Å; A191-K195 VanDerWaalsContact O-CB 3.27Å; A191-K195 WeakPolarHBondContact O-CB 3.44Å; A191-K195 PolarHBondContact O-N 3.27Å
192V95.9Very high95.3Very high47 Ų4764.3 Ų64.329%0.28532%0.323SS..Hα-helixtrans-61.7-49175.3168.70000110.2M89 I110 L114 C188 L189 K195 F196M89-V192 HydrophobicContact CE-CB 4.35Å; M89-V192 HydrophobicContact CE-CG2 3.96Å; I110-V192 HydrophobicContact CG2-CG2 4.28Å; L114-V192 HydrophobicContact CD1-CB 4.33Å; L114-V192 HydrophobicContact CD1-CG2 3.42Å; L114-V192 VanDerWaalsContact CD1-CG2 3.42Å; C188-V192 WeakPolarHBondContact O-CB 3.3Å; C188-V192 VanDerWaalsContact O-CG2 3.23Å; C188-V192 WeakPolarHBondContact O-CG2 3.4Å; C188-V192 PolarHBondContact O-N 3.42Å; L189-V192 PolarHBondContact O-N 2.88Å; V192-K195 PolarHBondContact O-N 2.99Å; V192-F196 WeakPolarHBondContact O-CB 3.32Å; V192-F196 PolarHBondContact O-N 3.36Å
193Y94.5Very high95.1Very high31 Ų3164.7 Ų64.712%0.12233%0.331CS..Hα-helixtrans-62.6-46.8176-75.2-57.6000112.3Q82 I85 L189 K195 F196 Y197Q82-Y193 WeakPolarHBondContact CA-OH 3.26Å; Q82-Y193 HydrophobicContact CB-CE2 4.44Å; Q82-Y193 HydrophobicContact CG-CE1 3.73Å; Q82-Y193 HydrophobicContact CG-CE2 4.21Å; I85-Y193 WeakPolarHBondContact CD1-OH 3.28Å; L189-Y193 HydrophobicContact CD1-CD2 4.28Å; L189-Y193 HydrophobicContact CD1-CE2 3.51Å; L189-Y193 HydrophobicContact CG-CD2 4.06Å; L189-Y193 HydrophobicContact CG-CE2 3.69Å; L189-Y193 WeakPolarHBondContact O-CD2 2.93Å; L189-Y193 PolarHBondContact O-N 3.19Å; Y193-K195 VanDerWaalsContact C-N 3.25Å; Y193-K195 PolarHBondContact O-N 3.06Å; Y193-F196 WeakPolarHBondContact O-CB 3.28Å; Y193-F196 PolarHBondContact O-N 2.93Å; Y193-F196 VanDerWaalsContact O-N 3.11Å; Y193-Y197 HydrophobicContact CD1-CE2 4.39Å; Y193-Y197 WeakPolarHBondContact O-CD2 2.91Å; Y193-Y197 PolarHBondContact O-N 3.03Å
194G94.1Very high94.9Very high31 Ų3168.9 Ų68.932%0.3235%0.353SS..Hα-helixtrans-56.7-42.1177.300000111.8N190 A191 Q198N190-G194 PolarHBondContact O-N 3.21Å; A191-G194 PolarHBondContact O-N 3.08Å; G194-Q198 WeakPolarHBondContact O-CB 3.3Å; G194-Q198 WeakPolarHBondContact O-CG 3.34Å; G194-Q198 PolarHBondContact O-N 2.81Å
195K92.6Very high94.8Very high100 Ų10070.2 Ų70.244%0.43537%0.37SS..Hα-helixtrans-70.4-35.1177.1-16366.1170.6-179.30112.6L114 A191 V192 Y193 N199L114-K195 HydrophobicContact CD2-CB 4.26Å; L114-K195 HydrophobicContact CD2-CD 4.48Å; L114-K195 HydrophobicContact CD2-CG 4Å; A191-K195 VanDerWaalsContact O-CB 3.27Å; A191-K195 WeakPolarHBondContact O-CB 3.44Å; A191-K195 PolarHBondContact O-N 3.27Å; V192-K195 PolarHBondContact O-N 2.99Å; Y193-K195 VanDerWaalsContact C-N 3.25Å; Y193-K195 PolarHBondContact O-N 3.06Å; K195-N199 PolarHBondContact O-N 2.01Å; K195-N199 PolarHBondContact O-ND2 3.22Å
196F91.8Very high94.8Very high99 Ų9972 Ų7243%0.43438%0.376SS..Hα-helixtrans-65.6-50.1174.4-177.8-94.3000111V192 Y193 Q198 N199 L200 V203V192-F196 WeakPolarHBondContact O-CB 3.32Å; V192-F196 PolarHBondContact O-N 3.36Å; Y193-F196 WeakPolarHBondContact O-CB 3.28Å; Y193-F196 PolarHBondContact O-N 2.93Å; Y193-F196 VanDerWaalsContact O-N 3.11Å; F196-Q198 VanDerWaalsContact C-N 3.3Å; F196-Q198 PolarHBondContact O-N 3.02Å; F196-N199 CarbonylContact O-C 3.6Å; F196-N199 PolarHBondContact O-N 3.44Å; F196-N199 VanDerWaalsContact O-N 3.09Å; F196-L200 HydrophobicContact CE1-CD1 4.28Å; F196-L200 WeakPolarHBondContact O-CA 3.23Å; F196-L200 PolarHBondContact O-N 2.89Å; F196-V203 HydrophobicContact CD2-CG2 4.27Å; F196-V203 HydrophobicContact CE2-CB 4.38Å; F196-V203 HydrophobicContact CE2-CG1 4Å; F196-V203 HydrophobicContact CE2-CG2 3.8Å; F196-V203 HydrophobicContact CZ-CG1 4.02Å; F196-V203 HydrophobicContact CZ-CG2 4.36Å
197Y92.8Very high94.8Very high111 Ų11168 Ų6844%0.43537%0.37SS..Hα-helixtrans-62.5-35.6177.3-76.2-66.8000112.7Q78 Y193 N199 L200Q78-Y197 PolarHBondContact NE2-OH 2.96Å; Y193-Y197 HydrophobicContact CD1-CE2 4.39Å; Y193-Y197 WeakPolarHBondContact O-CD2 2.91Å; Y193-Y197 PolarHBondContact O-N 3.03Å; Y197-N199 VanDerWaalsContact C-N 3.32Å; Y197-N199 PolarHBondContact O-N 3.08Å; Y197-L200 HydrophobicContact CD1-CD1 3.8Å; Y197-L200 HydrophobicContact CE1-CD1 4.18Å; Y197-L200 VanDerWaalsContact O-CB 3.32Å; Y197-L200 WeakPolarHBondContact O-CB 3.33Å; Y197-L200 PolarHBondContact O-N 3.25Å
198Q93.2Very high94.7Very high141 Ų14172 Ų7266%0.65939%0.394SS*.Hα-helixtrans-65.2-33.4173.6-78.7173.4-1.200113.5G194 F196G194-Q198 WeakPolarHBondContact O-CB 3.3Å; G194-Q198 WeakPolarHBondContact O-CG 3.34Å; G194-Q198 PolarHBondContact O-N 2.81Å; F196-Q198 VanDerWaalsContact C-N 3.3Å; F196-Q198 PolarHBondContact O-N 3.02Å
199N93.4Very high94.7Very high61 Ų6173 Ų7333%0.32641%0.405SS..THydrogen-bonded Turntrans-105.417.8-179.8-64.1-64.6000112.3K195 F196 Y197 D201 I202 V203K195-N199 PolarHBondContact O-N 2.01Å; K195-N199 PolarHBondContact O-ND2 3.22Å; F196-N199 CarbonylContact O-C 3.6Å; F196-N199 PolarHBondContact O-N 3.44Å; F196-N199 VanDerWaalsContact O-N 3.09Å; Y197-N199 VanDerWaalsContact C-N 3.32Å; Y197-N199 PolarHBondContact O-N 3.08Å; N199-D201 PolarHBondContact O-N 3.37Å; N199-I202 HydrophobicContact CB-CD1 4.28Å; N199-I202 WeakPolarHBondContact O-CB 3.35Å; N199-I202 PolarHBondContact O-N 3.2Å; N199-V203 PolarHBondContact O-N 3.06Å
200L92.9Very high94.6Very high53 Ų5376.9 Ų76.928%0.27743%0.425SS..Hα-helixtrans-61.6-33.2-173.3-178.5139.4000111.3F196 Y197 I202 V203 I204F196-L200 HydrophobicContact CE1-CD1 4.28Å; F196-L200 WeakPolarHBondContact O-CA 3.23Å; F196-L200 PolarHBondContact O-N 2.89Å; Y197-L200 HydrophobicContact CD1-CD1 3.8Å; Y197-L200 HydrophobicContact CE1-CD1 4.18Å; Y197-L200 VanDerWaalsContact O-CB 3.32Å; Y197-L200 WeakPolarHBondContact O-CB 3.33Å; Y197-L200 PolarHBondContact O-N 3.25Å; L200-I202 VanDerWaalsContact C-N 3.29Å; L200-I202 PolarHBondContact O-N 3.25Å; L200-V203 PolarHBondContact O-N 3.3Å; L200-I204 HydrophobicContact CD2-CD1 3.4Å; L200-I204 VanDerWaalsContact CD2-CD1 3.4Å; L200-I204 HydrophobicContact CD2-CG1 4.13Å; L200-I204 HydrophobicContact CG-CD1 4.24Å; L200-I204 HydrophobicContact CG-CG1 4.5Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 2.98Å
201D93.4Very high94.6Very high133 Ų13372.2 Ų72.271%0.71140%0.402SS*.Hα-helixtrans-58.5-39.3173.4-64-26.6000112.6N199 G205N199-D201 PolarHBondContact O-N 3.37Å; D201-G205 PolarHBondContact O-N 2.93Å
202I95Very high94.6Very high107 Ų10774.2 Ų74.255%0.54942%0.415SS..Hα-helixtrans-67.7-43.6177.4-59.5175.5000109.8N199 L200 G205 L206N199-I202 HydrophobicContact CB-CD1 4.28Å; N199-I202 WeakPolarHBondContact O-CB 3.35Å; N199-I202 PolarHBondContact O-N 3.2Å; L200-I202 VanDerWaalsContact C-N 3.29Å; L200-I202 PolarHBondContact O-N 3.25Å; I202-G205 PolarHBondContact O-N 3.37Å; I202-L206 HydrophobicContact CG2-CD1 4.42Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.66Å
203V92.9Very high94.6Very high61 Ų6179.6 Ų79.637%0.3744%0.435SS..Hα-helixtrans-63.4-46.8-179.8178.90000110.9F196 N199 L200 G205 L206 A207F196-V203 HydrophobicContact CD2-CG2 4.27Å; F196-V203 HydrophobicContact CE2-CB 4.38Å; F196-V203 HydrophobicContact CE2-CG1 4Å; F196-V203 HydrophobicContact CE2-CG2 3.8Å; F196-V203 HydrophobicContact CZ-CG1 4.02Å; F196-V203 HydrophobicContact CZ-CG2 4.36Å; N199-V203 PolarHBondContact O-N 3.06Å; L200-V203 PolarHBondContact O-N 3.3Å; V203-G205 VanDerWaalsContact C-N 3.32Å; V203-G205 PolarHBondContact O-N 3.09Å; V203-L206 PolarHBondContact O-N 2.91Å; V203-A207 PolarHBondContact O-N 3.48Å; V203-A207 VanDerWaalsContact O-N 3.09Å
204I94.2Very high94.7Very high92 Ų9279.2 Ų79.247%0.47243%0.434SS..Hα-helixtrans-60.7-43.9174.5-68.7-179.4000110.3L200 L206 A207 V208L200-I204 HydrophobicContact CD2-CD1 3.4Å; L200-I204 VanDerWaalsContact CD2-CD1 3.4Å; L200-I204 HydrophobicContact CD2-CG1 4.13Å; L200-I204 HydrophobicContact CG-CD1 4.24Å; L200-I204 HydrophobicContact CG-CG1 4.5Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 2.98Å; I204-L206 VanDerWaalsContact C-N 3.34Å; I204-L206 PolarHBondContact O-N 2.51Å; I204-A207 PolarHBondContact O-N 3.43Å; I204-V208 HydrophobicContact CG2-CG2 4.1Å; I204-V208 WeakPolarHBondContact O-CB 3.34Å; I204-V208 WeakPolarHBondContact O-CG2 3.46Å; I204-V208 PolarHBondContact O-N 3.04Å
205G96.2Very high94.8Very high45 Ų4581.4 Ų81.446%0.46444%0.438SS..Hα-helixtrans-57.9-43.4178.200000113.1D201 I202 V203 G209D201-G205 PolarHBondContact O-N 2.93Å; I202-G205 PolarHBondContact O-N 3.37Å; V203-G205 VanDerWaalsContact C-N 3.32Å; V203-G205 PolarHBondContact O-N 3.09Å; G205-G209 PolarHBondContact O-N 3.18Å
206L95.9Very high95Very high118 Ų11880.8 Ų80.862%0.61844%0.438SS*.Hα-helixtrans-64.6-44.9175.6-69.2174.6000111.9I202 V203 I204 G209 I210I202-L206 HydrophobicContact CG2-CD1 4.42Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.66Å; V203-L206 PolarHBondContact O-N 2.91Å; I204-L206 VanDerWaalsContact C-N 3.34Å; I204-L206 PolarHBondContact O-N 2.51Å; L206-G209 PolarHBondContact O-N 2.65Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 2.77Å; L206-I210 PolarHBondContact O-N 2.97Å
207A95.3Very high95.2Very high61 Ų6177 Ų7750%0.50443%0.427SS..Hα-helixtrans-62.5-47.8178.900000112.1V203 I204 G209 I210 G211V203-A207 PolarHBondContact O-N 3.48Å; V203-A207 VanDerWaalsContact O-N 3.09Å; I204-A207 PolarHBondContact O-N 3.43Å; A207-G209 VanDerWaalsContact C-N 3.31Å; A207-G209 PolarHBondContact O-N 3.04Å; A207-I210 PolarHBondContact O-N 3.21Å; A207-G211 PolarHBondContact O-N 3.35Å; A207-G211 VanDerWaalsContact O-N 3.12Å
208V96.2Very high95.3Very high85 Ų8572.4 Ų72.452%0.51541%0.41SS..Hα-helixtrans-62.5-41.4175.3173.40000110.5I204 I210 G211 C212I204-V208 HydrophobicContact CG2-CG2 4.1Å; I204-V208 WeakPolarHBondContact O-CB 3.34Å; I204-V208 WeakPolarHBondContact O-CG2 3.46Å; I204-V208 PolarHBondContact O-N 3.04Å; V208-I210 PolarHBondContact O-N 2.88Å; V208-G211 PolarHBondContact O-N 3.42Å; V208-C212 WeakPolarHBondContact O-CB 3.48Å; V208-C212 PolarHBondContact O-N 2.83Å; V208-C212 PolarHBondContact O-SG 2.81Å; V208-C212 VanDerWaalsContact O-SG 3.35Å
209G97.1Very high95.5Very high23 Ų2369.9 Ų69.924%0.23740%0.404CS..Hα-helixtrans-57.2-49.3176.700000112.5G205 L206 A207 G211 C212 F213G205-G209 PolarHBondContact O-N 3.18Å; L206-G209 PolarHBondContact O-N 2.65Å; A207-G209 VanDerWaalsContact C-N 3.31Å; A207-G209 PolarHBondContact O-N 3.04Å; G209-G211 PolarHBondContact O-N 3.28Å; G209-C212 PolarHBondContact O-N 3.02Å; G209-F213 WeakPolarHBondContact O-CD2 2.91Å; G209-F213 PolarHBondContact O-N 3.06Å
210I96Very high95.6Very high88 Ų8873 Ų7345%0.45142%0.415SS..Hα-helixtrans-57.9-48.9176.8-66.9163.9000110.4E67 L206 A207 V208 C212 F213 Q214E67-I210 WeakPolarHBondContact OE1-CG2 3.42Å; E67-I210 WeakPolarHBondContact OE2-CG2 3.36Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 2.77Å; L206-I210 PolarHBondContact O-N 2.97Å; A207-I210 PolarHBondContact O-N 3.21Å; V208-I210 PolarHBondContact O-N 2.88Å; I210-C212 PolarHBondContact O-N 2.89Å; I210-F213 PolarHBondContact O-N 2.86Å; I210-Q214 WeakPolarHBondContact O-CG 3.36Å; I210-Q214 PolarHBondContact O-N 3.02Å
211G96.8Very high95.7Very high11 Ų1170.7 Ų70.711%0.11340%0.403CS..Hα-helixtrans-60.1-42.9177.300000112.9A207 V208 G209 Q214 L215A207-G211 PolarHBondContact O-N 3.35Å; A207-G211 VanDerWaalsContact O-N 3.12Å; V208-G211 PolarHBondContact O-N 3.42Å; G209-G211 PolarHBondContact O-N 3.28Å; G211-Q214 PolarHBondContact O-N 3.44Å; G211-L215 WeakPolarHBondContact O-CG 3.17Å; G211-L215 PolarHBondContact O-N 3.26Å
212C96.6Very high95.8Very high61 Ų6168.4 Ų68.441%0.41239%0.389SS..Hα-helixtrans-62.7-43.6175.4-740000112.3V208 G209 I210 Q214 L215 I216V208-C212 WeakPolarHBondContact O-CB 3.48Å; V208-C212 PolarHBondContact O-N 2.83Å; V208-C212 PolarHBondContact O-SG 2.81Å; V208-C212 VanDerWaalsContact O-SG 3.35Å; G209-C212 PolarHBondContact O-N 3.02Å; I210-C212 PolarHBondContact O-N 2.89Å; C212-Q214 VanDerWaalsContact C-N 3.3Å; C212-Q214 PolarHBondContact O-N 2.88Å; C212-L215 PolarHBondContact O-N 3.24Å; C212-I216 WeakPolarHBondContact O-CB 3.08Å; C212-I216 VanDerWaalsContact O-CG1 3.24Å; C212-I216 WeakPolarHBondContact O-CG1 3.46Å; C212-I216 PolarHBondContact O-N 2.92Å
213F95.7Very high95.8Very high160 Ų16068.4 Ų68.470%0.70239%0.389SS*.Hα-helixtrans-61.3-38.4176.6-80.2-62.3000112.2G209 I210 G217G209-F213 WeakPolarHBondContact O-CD2 2.91Å; G209-F213 PolarHBondContact O-N 3.06Å; I210-F213 PolarHBondContact O-N 2.86Å; F213-G217 PolarHBondContact O-N 2.96Å
214Q96.2Very high95.9Very high22 Ų2268.9 Ų68.910%0.10339%0.39CS..Hα-helixtrans-65.3-46.7174.6-70175.6-4.900112.2E67 I210 G211 C212 I216 G217 M218E67-Q214 PolarHBondContact OE1-NE2 3.22Å; E67-Q214 PolarHBondContact OE2-NE2 3.29Å; E67-Q214 PolarHBondContact OE2-OE1 3.45Å; E67-Q214 VanDerWaalsContact OE2-OE1 3.13Å; I210-Q214 WeakPolarHBondContact O-CG 3.36Å; I210-Q214 PolarHBondContact O-N 3.02Å; G211-Q214 PolarHBondContact O-N 3.44Å; C212-Q214 VanDerWaalsContact C-N 3.3Å; C212-Q214 PolarHBondContact O-N 2.88Å; Q214-I216 VanDerWaalsContact C-N 3.31Å; Q214-I216 PolarHBondContact O-N 3.48Å; Q214-G217 CarbonylContact O-C 3.14Å; Q214-G217 WeakPolarHBondContact O-CA 3.49Å; Q214-G217 PolarHBondContact O-N 2.92Å; Q214-G217 VanDerWaalsContact O-N 3.12Å; Q214-M218 HydrophobicContact CB-CE 4.34Å; Q214-M218 WeakPolarHBondContact O-CG 3.24Å; Q214-M218 PolarHBondContact O-N 3.46Å
215L96.7Very high95.9Very high78 Ų7865.4 Ų65.441%0.40837%0.373SS..Hα-helixtrans-60.5-41.2177-70.1175.3000111.7F64 G211 C212 M218 V219F64-L215 HydrophobicContact CE2-CD1 4.43Å; F64-L215 HydrophobicContact CE2-CD2 4.29Å; F64-L215 HydrophobicContact CE2-CG 4.21Å; F64-L215 HydrophobicContact CZ-CD2 4.23Å; G211-L215 WeakPolarHBondContact O-CG 3.17Å; G211-L215 PolarHBondContact O-N 3.26Å; C212-L215 PolarHBondContact O-N 3.24Å; L215-M218 HydrophobicContact CD2-SD 4.17Å; L215-M218 WeakPolarHBondContact O-CB 3.33Å; L215-M218 PolarHBondContact O-N 2.96Å; L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 3.26Å
216I96.4Very high95.9Very high86 Ų8667.2 Ų67.244%0.44138%0.378SS..Hα-helixtrans-60.7-46.9173.6-71.9167.8000110.3C212 Q214 M218 V219 F220C212-I216 WeakPolarHBondContact O-CB 3.08Å; C212-I216 VanDerWaalsContact O-CG1 3.24Å; C212-I216 WeakPolarHBondContact O-CG1 3.46Å; C212-I216 PolarHBondContact O-N 2.92Å; Q214-I216 VanDerWaalsContact C-N 3.31Å; Q214-I216 PolarHBondContact O-N 3.48Å; I216-M218 VanDerWaalsContact C-N 3.3Å; I216-M218 PolarHBondContact O-N 2.86Å; I216-V219 PolarHBondContact O-N 3.46Å; I216-F220 HydrophobicContact CG2-CD2 3.41Å; I216-F220 VanDerWaalsContact CG2-CD2 3.41Å; I216-F220 HydrophobicContact CG2-CE2 3.26Å; I216-F220 WeakPolarHBondContact O-CD2 3.49Å; I216-F220 PolarHBondContact O-N 2.91Å
217G95.4Very high95.8Very high19 Ų1968 Ų6820%0.19637%0.373CS..Hα-helixtrans-56.8-43174.800000112.6F213 Q214 T221F213-G217 PolarHBondContact O-N 2.96Å; Q214-G217 CarbonylContact O-C 3.14Å; Q214-G217 WeakPolarHBondContact O-CA 3.49Å; Q214-G217 PolarHBondContact O-N 2.92Å; Q214-G217 VanDerWaalsContact O-N 3.12Å; G217-T221 VanDerWaalsContact O-CB 3.26Å; G217-T221 WeakPolarHBondContact O-CB 3.46Å; G217-T221 PolarHBondContact O-N 3.08Å; G217-T221 PolarHBondContact O-OG1 3.13Å
218M96.6Very high95.6Very high16 Ų1665.3 Ų65.38%0.07935%0.35CS..Hα-helixtrans-62.6-46.4176-71.7178.9-15400112.3F57 L60 V61 F64 Q214 L215 I216 T221 M222F57-M218 HydrophobicContact CD2-CB 4.03Å; F57-M218 HydrophobicContact CD2-CG 4.17Å; F57-M218 HydrophobicContact CE2-CB 3.74Å; F57-M218 HydrophobicContact CE2-CG 4.02Å; L60-M218 HydrophobicContact CB-CE 3.94Å; L60-M218 HydrophobicContact CB-CG 3.96Å; L60-M218 HydrophobicContact CD1-CG 4.08Å; L60-M218 WeakPolarHBondContact O-CE 3.39Å; V61-M218 HydrophobicContact CG2-CE 4.16Å; V61-M218 HydrophobicContact CG2-SD 3.9Å; F64-M218 HydrophobicContact CB-CE 3.61Å; F64-M218 HydrophobicContact CG-CE 4.08Å; Q214-M218 HydrophobicContact CB-CE 4.34Å; Q214-M218 WeakPolarHBondContact O-CG 3.24Å; Q214-M218 PolarHBondContact O-N 3.46Å; L215-M218 HydrophobicContact CD2-SD 4.17Å; L215-M218 WeakPolarHBondContact O-CB 3.33Å; L215-M218 PolarHBondContact O-N 2.96Å; I216-M218 VanDerWaalsContact C-N 3.3Å; I216-M218 PolarHBondContact O-N 2.86Å; M218-T221 WeakPolarHBondContact O-CB 3.4Å; M218-T221 PolarHBondContact O-N 3.09Å; M218-M222 WeakPolarHBondContact O-CG 3.41Å; M218-M222 PolarHBondContact O-N 3.18Å
219V96.8Very high95.4Very high87 Ų8763.8 Ų63.853%0.52734%0.339SS..Hα-helixtrans-63-48177.8171.60000110.6L215 I216 T221 M222 L223L215-V219 WeakPolarHBondContact O-CG2 3.33Å; L215-V219 PolarHBondContact O-N 3.26Å; I216-V219 PolarHBondContact O-N 3.46Å; V219-T221 VanDerWaalsContact C-N 3.29Å; V219-T221 PolarHBondContact O-N 3.42Å; V219-M222 PolarHBondContact O-N 3.04Å; V219-M222 VanDerWaalsContact O-N 3.17Å; V219-L223 HydrophobicContact CG1-CD1 4Å; V219-L223 HydrophobicContact CG1-CG 4.31Å; V219-L223 WeakPolarHBondContact O-CG 3.29Å; V219-L223 PolarHBondContact O-N 3.4Å
220F95.1Very high95.2Very high127 Ų12767.7 Ų67.756%0.55735%0.351SS*.Hα-helixtrans-59-41.9176.4-82.8-60.7000112.4I216 M222 L223 L224I216-F220 HydrophobicContact CG2-CD2 3.41Å; I216-F220 VanDerWaalsContact CG2-CD2 3.41Å; I216-F220 HydrophobicContact CG2-CE2 3.26Å; I216-F220 WeakPolarHBondContact O-CD2 3.49Å; I216-F220 PolarHBondContact O-N 2.91Å; F220-M222 VanDerWaalsContact C-N 3.33Å; F220-M222 PolarHBondContact O-N 2.85Å; F220-L223 PolarHBondContact O-N 3.38Å; F220-L224 WeakPolarHBondContact O-CB 3.47Å; F220-L224 WeakPolarHBondContact O-CG 3.45Å; F220-L224 PolarHBondContact O-N 3.26Å
221T95.4Very high95Very high5 Ų567 Ų673%0.03134%0.344CS..Hα-helixtrans-59.5-45.1176.1-61.30000111.2L53 F56 F57 G217 M218 V219 L224 C225L53-T221 HydrophobicContact CD1-CG2 3.64Å; L53-T221 HydrophobicContact CG-CG2 3.62Å; L53-T221 WeakPolarHBondContact O-CG2 3.17Å; F56-T221 HydrophobicContact CD1-CG2 3.91Å; F56-T221 VanDerWaalsContact CD1-OG1 3.27Å; F56-T221 WeakPolarHBondContact CD1-OG1 3.45Å; F56-T221 WeakPolarHBondContact CE1-OG1 3.3Å; F57-T221 HydrophobicContact CB-CG2 3.76Å; F57-T221 HydrophobicContact CD2-CG2 4.41Å; G217-T221 VanDerWaalsContact O-CB 3.26Å; G217-T221 WeakPolarHBondContact O-CB 3.46Å; G217-T221 PolarHBondContact O-N 3.08Å; G217-T221 PolarHBondContact O-OG1 3.13Å; M218-T221 WeakPolarHBondContact O-CB 3.4Å; M218-T221 PolarHBondContact O-N 3.09Å; V219-T221 VanDerWaalsContact C-N 3.29Å; V219-T221 PolarHBondContact O-N 3.42Å; T221-L224 PolarHBondContact O-N 3.12Å; T221-C225 WeakPolarHBondContact O-CB 3.04Å; T221-C225 PolarHBondContact O-N 3.02Å
222M94.9Very high94.7Very high84 Ų8471.7 Ų71.741%0.41436%0.361SS..Hα-helixtrans-64.3-45.1176.4-77.1-66.417800112.5F57 M218 V219 F220 L224 C225 C226F57-M222 HydrophobicContact CD1-CE 3.65Å; F57-M222 HydrophobicContact CD2-CE 3.62Å; F57-M222 HydrophobicContact CD2-CG 4.04Å; F57-M222 HydrophobicContact CE1-CE 3.4Å; F57-M222 VanDerWaalsContact CE1-CE 3.4Å; F57-M222 HydrophobicContact CE2-CE 3.34Å; F57-M222 HydrophobicContact CE2-CG 3.77Å; F57-M222 HydrophobicContact CE2-SD 4.4Å; F57-M222 HydrophobicContact CG-CE 3.77Å; F57-M222 HydrophobicContact CZ-CE 3.25Å; M218-M222 WeakPolarHBondContact O-CG 3.41Å; M218-M222 PolarHBondContact O-N 3.18Å; V219-M222 PolarHBondContact O-N 3.04Å; V219-M222 VanDerWaalsContact O-N 3.17Å; F220-M222 VanDerWaalsContact C-N 3.33Å; F220-M222 PolarHBondContact O-N 2.85Å; M222-L224 PolarHBondContact O-N 3.35Å; M222-C225 WeakPolarHBondContact O-CB 3.36Å; M222-C225 PolarHBondContact O-N 3.33Å; M222-C226 PolarHBondContact O-N 3.19Å; M222-C226 PolarHBondContact O-SG 2.75Å
223L95.8Very high94.5Very high107 Ų10774.4 Ų74.456%0.5637%0.366SS*.Hα-helixtrans-61.1-43.7177-68.3175.6000111.9V219 F220 C226 W227V219-L223 HydrophobicContact CG1-CD1 4Å; V219-L223 HydrophobicContact CG1-CG 4.31Å; V219-L223 WeakPolarHBondContact O-CG 3.29Å; V219-L223 PolarHBondContact O-N 3.4Å; F220-L223 PolarHBondContact O-N 3.38Å; L223-C226 PolarHBondContact O-N 2.78Å; L223-W227 WeakPolarHBondContact O-CB 3.39Å; L223-W227 PolarHBondContact O-N 2.96Å
224L95.1Very high94.3Very high72 Ų7271.3 Ų71.338%0.37735%0.354SS..Hα-helixtrans-64.2-41.8175.6-75.1173.5000111.7L53 F220 T221 M222 C226 W227 I228L53-L224 HydrophobicContact CD2-CB 3.68Å; F220-L224 WeakPolarHBondContact O-CB 3.47Å; F220-L224 WeakPolarHBondContact O-CG 3.45Å; F220-L224 PolarHBondContact O-N 3.26Å; T221-L224 PolarHBondContact O-N 3.12Å; M222-L224 PolarHBondContact O-N 3.35Å; L224-C226 PolarHBondContact O-N 3.21Å; L224-W227 PolarHBondContact O-N 2.98Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 3.34Å
225C94.7Very high94.1Very high18 Ų1874.3 Ų74.312%0.12237%0.371CS..Hα-helixtrans-57.8-47.6173.2-88.40000111.9L53 T221 M222 I228 D229L53-C225 HydrophobicContact CD2-CB 4.23Å; L53-C225 WeakPolarHBondContact CD2-SG 3.38Å; L53-C225 VanDerWaalsContact CG-SG 3.56Å; T221-C225 WeakPolarHBondContact O-CB 3.04Å; T221-C225 PolarHBondContact O-N 3.02Å; M222-C225 WeakPolarHBondContact O-CB 3.36Å; M222-C225 PolarHBondContact O-N 3.33Å; C225-I228 PolarHBondContact O-N 3.29Å; C225-D229 PolarHBondContact O-N 2.99Å
226C94.2Very high93.8Very high84 Ų8477.8 Ų77.857%0.56838%0.38SS*.Hα-helixtrans-63-42.2177.5-69.70000111.9M222 L223 L224 D229 H230M222-C226 PolarHBondContact O-N 3.19Å; M222-C226 PolarHBondContact O-SG 2.75Å; L223-C226 PolarHBondContact O-N 2.78Å; L224-C226 PolarHBondContact O-N 3.21Å; C226-D229 PolarHBondContact O-N 3.45Å; C226-H230 PolarHBondContact O-N 2.96Å
227W93.9Very high93.5Very high134 Ų13481.6 Ų81.651%0.50839%0.393SS..Hα-helixtrans-63.5-45.2177.6178.982.4000112.1L223 L224 D229 H230 K231L223-W227 WeakPolarHBondContact O-CB 3.39Å; L223-W227 PolarHBondContact O-N 2.96Å; L224-W227 PolarHBondContact O-N 2.98Å; W227-D229 VanDerWaalsContact C-N 3.28Å; W227-D229 PolarHBondContact O-N 3.25Å; W227-H230 PolarHBondContact O-N 3.15Å; W227-K231 HydrophobicContact CH2-CD 3.93Å; W227-K231 HydrophobicContact CZ2-CD 4.16Å; W227-K231 HydrophobicContact CZ3-CD 4.48Å; W227-K231 PolarHBondContact O-N 3.23Å
228I92.9Very high93.2Very high4 Ų486.2 Ų86.22%0.02142%0.418CS..Hα-helixtrans-61.7-38.2175.8-66.1164.8000110.7Q48 K50 L53 L224 C225 K232Q48-I228 HydrophobicContact CB-CD1 4.06Å; Q48-I228 HydrophobicContact CB-CG1 4.14Å; Q48-I228 HydrophobicContact CB-CG2 4.29Å; Q48-I228 HydrophobicContact CG-CD1 4.47Å; Q48-I228 HydrophobicContact CG-CG1 4.38Å; K50-I228 HydrophobicContact CG-CB 4.47Å; K50-I228 HydrophobicContact CG-CG2 3.9Å; L53-I228 HydrophobicContact CD2-CD1 4.2Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 3.34Å; C225-I228 PolarHBondContact O-N 3.29Å; I228-K232 HydrophobicContact CG2-CD 4.45Å; I228-K232 WeakPolarHBondContact O-CG 3.37Å; I228-K232 PolarHBondContact O-N 3.07Å; I228-K232 VanDerWaalsContact O-N 3.14Å
229D91.9Very high92.7Very high53 Ų5389.1 Ų89.128%0.28344%0.439SS..Hα-helixtrans-64.5-45.4175.9-172.661.8000112.8K50 C225 C226 W227 K232 K233K50-D229 VanDerWaalsContact CE-CA 3.48Å; K50-D229 VanDerWaalsContact NZ-CB 3.34Å; K50-D229 IonicContact NZ-OD1 2.81Å; K50-D229 PolarHBondContact NZ-OD1 2.95Å; C225-D229 PolarHBondContact O-N 2.99Å; C226-D229 PolarHBondContact O-N 3.45Å; W227-D229 VanDerWaalsContact C-N 3.28Å; W227-D229 PolarHBondContact O-N 3.25Å; D229-K232 PolarHBondContact O-N 3.45Å; D229-K233 WeakPolarHBondContact O-CG 3.38Å; D229-K233 PolarHBondContact O-N 3.45Å; D229-K233 VanDerWaalsContact O-N 3.15Å; D229-K233 VanDerWaalsContact OD2-CE 3.24Å; D229-K233 WeakPolarHBondContact OD2-CE 3.38Å; D229-K233 IonicContact OD2-NZ 2.7Å; D229-K233 PolarHBondContact OD2-NZ 3.16Å
230H92.9Very high91.4Very high106 Ų10688.2 Ų88.249%0.49145%0.448SS..Hα-helixtrans-59.1-49.9176.9-170.2-90.4000111.4C226 W227 K232 K233 E234C226-H230 PolarHBondContact O-N 2.96Å; W227-H230 PolarHBondContact O-N 3.15Å; H230-K232 VanDerWaalsContact C-N 3.33Å; H230-K232 PolarHBondContact O-N 3.17Å; H230-K233 WeakPolarHBondContact O-CB 3.05Å; H230-K233 PolarHBondContact O-N 3.06Å; H230-E234 IonicContact CE1-OE1 3.35Å; H230-E234 PolarHBondContact CE1-OE1 3Å; H230-E234 IonicContact CE1-OE2 3.9Å; H230-E234 VanDerWaalsContact ND1-CD 3.3Å; H230-E234 IonicContact ND1-OE1 4Å; H230-E234 IonicContact ND1-OE2 3.69Å; H230-E234 PolarHBondContact ND1-OE2 2.73Å; H230-E234 PolarHBondContact O-N 3.21Å
231K91.8Very high89.7Confident72 Ų7293 Ų9331%0.31346%0.464SS..Hα-helixtrans-57.5-44.3179.4-173.8178.8177.5-176.20112.2W227 K233 E234 D235W227-K231 HydrophobicContact CH2-CD 3.93Å; W227-K231 HydrophobicContact CZ2-CD 4.16Å; W227-K231 HydrophobicContact CZ3-CD 4.48Å; W227-K231 PolarHBondContact O-N 3.23Å; K231-K233 VanDerWaalsContact C-N 3.31Å; K231-K233 PolarHBondContact O-N 2.93Å; K231-E234 PolarHBondContact O-N 3.44Å; K231-D235 VanDerWaalsContact O-CG 3.32Å; K231-D235 PolarHBondContact O-N 2.79Å
232K90.4Very high89.4Confident110 Ų11097.4 Ų97.448%0.47849%0.485SS..Hα-helixtrans-62.1-35.7176.6-75.5-176.4180-172.30113.1I228 D229 H230 Y236I228-K232 HydrophobicContact CG2-CD 4.45Å; I228-K232 WeakPolarHBondContact O-CG 3.37Å; I228-K232 PolarHBondContact O-N 3.07Å; I228-K232 VanDerWaalsContact O-N 3.14Å; D229-K232 PolarHBondContact O-N 3.45Å; H230-K232 VanDerWaalsContact C-N 3.33Å; H230-K232 PolarHBondContact O-N 3.17Å; K232-Y236 WeakPolarHBondContact O-CB 3.47Å; K232-Y236 PolarHBondContact O-N 3.08Å; K232-Y236 VanDerWaalsContact O-N 3.12Å
233K91.9Very high89.1Confident119 Ų11998.1 Ų98.152%0.51749%0.489SS..Hα-helixtrans-69.8-36.1175.6-73.3169.6173.7162.50112D229 H230 K231 K237D229-K233 WeakPolarHBondContact O-CG 3.38Å; D229-K233 PolarHBondContact O-N 3.45Å; D229-K233 VanDerWaalsContact O-N 3.15Å; D229-K233 VanDerWaalsContact OD2-CE 3.24Å; D229-K233 WeakPolarHBondContact OD2-CE 3.38Å; D229-K233 IonicContact OD2-NZ 2.7Å; D229-K233 PolarHBondContact OD2-NZ 3.16Å; H230-K233 WeakPolarHBondContact O-CB 3.05Å; H230-K233 PolarHBondContact O-N 3.06Å; K231-K233 VanDerWaalsContact C-N 3.31Å; K231-K233 PolarHBondContact O-N 2.93Å; K233-K237 WeakPolarHBondContact O-CG 3.41Å; K233-K237 PolarHBondContact O-N 3.21Å
234E92.1Very high88.7Confident95 Ų9597.6 Ų97.644%0.44449%0.485SS..Hα-helixtrans-68.8-46.3175-69.7-179.6134.300111.8H230 K231 Y236 K237 T238H230-E234 IonicContact CE1-OE1 3.35Å; H230-E234 PolarHBondContact CE1-OE1 3Å; H230-E234 IonicContact CE1-OE2 3.9Å; H230-E234 VanDerWaalsContact ND1-CD 3.3Å; H230-E234 IonicContact ND1-OE1 4Å; H230-E234 IonicContact ND1-OE2 3.69Å; H230-E234 PolarHBondContact ND1-OE2 2.73Å; H230-E234 PolarHBondContact O-N 3.21Å; K231-E234 PolarHBondContact O-N 3.44Å; E234-Y236 PolarHBondContact O-N 3.35Å; E234-K237 PolarHBondContact O-N 3.43Å; E234-K237 VanDerWaalsContact O-N 3.09Å; E234-T238 WeakPolarHBondContact O-CG2 3.38Å; E234-T238 PolarHBondContact O-N 3.11Å; E234-T238 PolarHBondContact O-OG1 3.48Å
235D90.7Very high88.3Confident85 Ų8599.1 Ų99.146%0.45549%0.491SS..Hα-helixtrans-58.3-37.3175.8-68.3-25.7000111.4K231 T238 S239K231-D235 VanDerWaalsContact O-CG 3.32Å; K231-D235 PolarHBondContact O-N 2.79Å; D235-T238 WeakPolarHBondContact CA-OG1 3.38Å; D235-T238 PolarHBondContact O-OG1 3.25Å; D235-S239 VanDerWaalsContact O-CB 3.29Å; D235-S239 WeakPolarHBondContact O-CB 3.49Å; D235-S239 PolarHBondContact O-N 2.69Å
236Y90.4Very high87.9Confident151 Ų151104.2 Ų104.259%0.59252%0.515SS*.Hα-helixtrans-64-44.5174.6-175.8-101.8000112.3K232 E234K232-Y236 WeakPolarHBondContact O-CB 3.47Å; K232-Y236 PolarHBondContact O-N 3.08Å; K232-Y236 VanDerWaalsContact O-N 3.12Å; E234-Y236 PolarHBondContact O-N 3.35Å
237K91.1Very high87.5Confident166 Ų166105.5 Ų105.572%0.72251%0.511SS*.Hα-helixtrans-67.9-38.9178.3-71.2175.3-178.4179.50113K233 E234K233-K237 WeakPolarHBondContact O-CG 3.41Å; K233-K237 PolarHBondContact O-N 3.21Å; E234-K237 PolarHBondContact O-N 3.43Å; E234-K237 VanDerWaalsContact O-N 3.09Å
238T89.1Confident87.1Confident116 Ų116103.5 Ų103.571%0.71251%0.511SS*.Hα-helixtrans-76.2-28.8-178.856.10000112.7E234 D235 G240E234-T238 WeakPolarHBondContact O-CG2 3.38Å; E234-T238 PolarHBondContact O-N 3.11Å; E234-T238 PolarHBondContact O-OG1 3.48Å; D235-T238 WeakPolarHBondContact CA-OG1 3.38Å; D235-T238 PolarHBondContact O-OG1 3.25Å; T238-G240 PolarHBondContact O-N 3.42Å
239S85.4Confident86.6Confident77 Ų77111.2 Ų111.254%0.53855%0.549SS..THydrogen-bonded Turntrans-71.4-1.2175.8-169.40000114.1D235 Y241D235-S239 VanDerWaalsContact O-CB 3.29Å; D235-S239 WeakPolarHBondContact O-CB 3.49Å; D235-S239 PolarHBondContact O-N 2.69Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; S239-Y241 WeakPolarHBondContact O-CD2 3.16Å; S239-Y241 PolarHBondContact O-N 3.42Å
240G69.5Low86.2Confident68 Ų68116 Ų11670%0.70157%0.571SS**THydrogen-bonded Turntrans69.324.7169.400000115.7T238T238-G240 PolarHBondContact O-N 3.42Å
241Y59.2Low85.6Confident227 Ų227116.9 Ų116.989%0.8958%0.578SS**  trans-99.20170.4-73.4-80.3000112S239S239-Y241 VanDerWaalsContact C-N 3.35Å; S239-Y241 WeakPolarHBondContact O-CD2 3.16Å; S239-Y241 PolarHBondContact O-N 3.42Å

Retrieved 241 of 241 residues in 320.2 ms (Link to these results)

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