A0A060VUL8_ONCMY Loading...

Surfeit locus protein 4

AlphaFold DB (A0A673WW98), UniProt , Accession A0A060VUL8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523589, Length 269 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
1M52.9Low72.7Confident179 Ų179102.7 Ų102.788%0.88254%0.541SS*.  0-65.80-76.2-176.67700112Q3 E4 E5M1-Q3 PolarHBondContact O-N 3.26Å; M1-E4 PolarHBondContact O-N 3.09Å; M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.14Å
2G63.9Low73.4Confident45 Ų45103.3 Ų103.346%0.46454%0.544SS..Hα-helixtrans-61.6-34.3-174.800000117.2L6G2-L6 WeakPolarHBondContact O-CB 3.49Å; G2-L6 VanDerWaalsContact O-CG 3.32Å; G2-L6 WeakPolarHBondContact O-CG 3.28Å; G2-L6 PolarHBondContact O-N 3.46Å
3Q65.2Low74Confident171 Ų171102.8 Ų102.880%0.79955%0.547SS*.Hα-helixtrans-72.5-34.6177.1-83.3-177.4-26.800113.4M1 M7M1-Q3 PolarHBondContact O-N 3.26Å; Q3-M7 VanDerWaalsContact O-CB 3.32Å; Q3-M7 WeakPolarHBondContact O-CB 3.25Å; Q3-M7 PolarHBondContact O-N 3.2Å
4E71.1Confident74.1Confident148 Ų14896.1 Ų96.169%0.69251%0.514SS*.Hα-helixtrans-72.7-37.4177.6-72179142.600111.2M1 M7 S8M1-E4 PolarHBondContact O-N 3.09Å; E4-M7 PolarHBondContact O-N 3.13Å; E4-S8 PolarHBondContact O-N 3.49Å; E4-S8 PolarHBondContact O-OG 3.48Å
5E75.7Confident74.4Confident111 Ų11193.5 Ų93.552%0.51950%0.5SS..Hα-helixtrans-66-41.8173-77.3176.4148.600112.6M1 M7 S8 Q9M1-E5 PolarHBondContact O-N 3.39Å; M1-E5 VanDerWaalsContact O-N 3.14Å; E5-M7 VanDerWaalsContact C-N 3.28Å; E5-M7 PolarHBondContact O-N 3.18Å; E5-S8 WeakPolarHBondContact CA-OG 3.33Å; E5-S8 PolarHBondContact O-N 3.25Å; E5-S8 PolarHBondContact O-OG 2.95Å; E5-Q9 WeakPolarHBondContact O-CB 3.44Å; E5-Q9 WeakPolarHBondContact O-CG 3.37Å; E5-Q9 PolarHBondContact O-N 3.01Å
6L77.6Confident74.6Confident115 Ų11596.1 Ų96.160%0.60251%0.508SS*.Hα-helixtrans-62.3-39.5174.3-80.2166.7000111.5G2 A10G2-L6 WeakPolarHBondContact O-CB 3.49Å; G2-L6 VanDerWaalsContact O-CG 3.32Å; G2-L6 WeakPolarHBondContact O-CG 3.28Å; G2-L6 PolarHBondContact O-N 3.46Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 2.87Å
7M77.7Confident74.8Confident82 Ų8297.2 Ų97.240%0.40451%0.508SS..Hα-helixtrans-70.2-39.2179.9-158.8-177.2-167.500111.8Q3 E4 E5 A10 E11 F199 K200Q3-M7 VanDerWaalsContact O-CB 3.32Å; Q3-M7 WeakPolarHBondContact O-CB 3.25Å; Q3-M7 PolarHBondContact O-N 3.2Å; E4-M7 PolarHBondContact O-N 3.13Å; E5-M7 VanDerWaalsContact C-N 3.28Å; E5-M7 PolarHBondContact O-N 3.18Å; M7-A10 PolarHBondContact O-N 2.74Å; M7-E11 WeakPolarHBondContact O-CG 3.49Å; M7-E11 PolarHBondContact O-N 3.42Å; M7-E11 VanDerWaalsContact O-N 3.08Å; M7-F199 HydrophobicContact CE-CE1 4.5Å; M7-K200 HydrophobicContact CE-CD 3.31Å; M7-K200 VanDerWaalsContact CE-CE 3.42Å; M7-K200 HydrophobicContact SD-CD 4.34Å; M7-K200 PolarHBondContact SD-NZ 3.31Å
8S76.6Confident74.8Confident50 Ų5092.8 Ų92.835%0.3549%0.485SS..Hα-helixtrans-68.9-40.417665.70000112E4 E5 A10 E11 D12E4-S8 PolarHBondContact O-N 3.49Å; E4-S8 PolarHBondContact O-OG 3.48Å; E5-S8 WeakPolarHBondContact CA-OG 3.33Å; E5-S8 PolarHBondContact O-N 3.25Å; E5-S8 PolarHBondContact O-OG 2.95Å; S8-A10 VanDerWaalsContact C-N 3.32Å; S8-A10 PolarHBondContact O-N 3.12Å; S8-E11 WeakPolarHBondContact O-CB 3.43Å; S8-E11 PolarHBondContact O-N 3.05Å; S8-E11 VanDerWaalsContact O-N 3.14Å; S8-D12 PolarHBondContact O-N 2.94Å
9Q81.5Confident74.8Confident123 Ų12398.6 Ų98.658%0.57550%0.5SS*.Hα-helixtrans-60.8-41.5173.7-76.6-176.3-15.200112.1E5 E11 D12 V13E5-Q9 WeakPolarHBondContact O-CB 3.44Å; E5-Q9 WeakPolarHBondContact O-CG 3.37Å; E5-Q9 PolarHBondContact O-N 3.01Å; Q9-E11 VanDerWaalsContact C-N 3.31Å; Q9-E11 PolarHBondContact O-N 2.91Å; Q9-D12 PolarHBondContact O-N 3.38Å; Q9-V13 WeakPolarHBondContact O-CG2 3.41Å; Q9-V13 PolarHBondContact O-N 3.44Å
10A80Confident74.8Confident46 Ų4699.1 Ų99.138%0.3851%0.508SS..Hα-helixtrans-63-38.6175.200000112L6 M7 S8 A14 L203L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 2.87Å; M7-A10 PolarHBondContact O-N 2.74Å; S8-A10 VanDerWaalsContact C-N 3.32Å; S8-A10 PolarHBondContact O-N 3.12Å; A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.45Å; A10-L203 WeakPolarHBondContact O-CD2 3.49Å
11E78.2Confident74.8Confident60 Ų6095.8 Ų95.828%0.2849%0.492SS..Hα-helixtrans-61-46.6173.8-75.2-178.6151.100112.1M7 S8 Q9 V13 A14 D15 K200 L203M7-E11 WeakPolarHBondContact O-CG 3.49Å; M7-E11 PolarHBondContact O-N 3.42Å; M7-E11 VanDerWaalsContact O-N 3.08Å; S8-E11 WeakPolarHBondContact O-CB 3.43Å; S8-E11 PolarHBondContact O-N 3.05Å; S8-E11 VanDerWaalsContact O-N 3.14Å; Q9-E11 VanDerWaalsContact C-N 3.31Å; Q9-E11 PolarHBondContact O-N 2.91Å; E11-V13 PolarHBondContact O-N 2.94Å; E11-A14 PolarHBondContact O-N 3.4Å; E11-D15 WeakPolarHBondContact O-CB 3.43Å; E11-D15 PolarHBondContact O-N 2.89Å; E11-K200 WeakPolarHBondContact OE1-CD 3.44Å; E11-K200 WeakPolarHBondContact OE1-CE 3.33Å; E11-K200 WeakPolarHBondContact OE1-CG 3.35Å; E11-K200 IonicContact OE1-NZ 2.58Å; E11-K200 PolarHBondContact OE1-NZ 3.11Å; E11-K200 IonicContact OE2-NZ 3.77Å; E11-K200 PolarHBondContact OE2-NZ 3.2Å; E11-K200 VanDerWaalsContact OE2-NZ 3.13Å; E11-L203 HydrophobicContact CB-CD1 4.26Å; E11-L203 HydrophobicContact CG-CD1 3.18Å; E11-L203 HydrophobicContact CG-CD2 4.48Å; E11-L203 HydrophobicContact CG-CG 3.83Å
12D80.8Confident75.6Confident109 Ų10994.6 Ų94.658%0.58348%0.482SS*.Hα-helixtrans-62.9-43.5-179.7-71.6-27.2000111.6S8 Q9 A14 D15 Q16S8-D12 PolarHBondContact O-N 2.94Å; Q9-D12 PolarHBondContact O-N 3.38Å; D12-A14 PolarHBondContact O-N 2.88Å; D12-D15 PolarHBondContact O-N 2.85Å; D12-Q16 WeakPolarHBondContact O-CB 3.23Å; D12-Q16 PolarHBondContact O-N 3.39Å
13V80.7Confident76Confident97 Ų9799.7 Ų99.759%0.58849%0.494SS*.Hα-helixtrans-61.9-44.5176.2171.50000111Q9 E11 Q16 F17Q9-V13 WeakPolarHBondContact O-CG2 3.41Å; Q9-V13 PolarHBondContact O-N 3.44Å; E11-V13 PolarHBondContact O-N 2.94Å; V13-Q16 PolarHBondContact O-N 2.91Å; V13-F17 WeakPolarHBondContact O-CB 3.5Å; V13-F17 PolarHBondContact O-N 3.49Å
14A76.3Confident76.6Confident10 Ų1099.3 Ų99.38%0.08349%0.486CS..Hα-helixtrans-64.8-44.1177.900000112.2A10 E11 D12 Q16 F17 L18 L203 L206A10-A14 WeakPolarHBondContact O-CB 3.33Å; A10-A14 PolarHBondContact O-N 3.45Å; E11-A14 PolarHBondContact O-N 3.4Å; D12-A14 PolarHBondContact O-N 2.88Å; A14-Q16 VanDerWaalsContact C-N 3.31Å; A14-Q16 PolarHBondContact O-N 3.05Å; A14-F17 PolarHBondContact O-N 3.39Å; A14-L18 WeakPolarHBondContact O-CB 3.2Å; A14-L18 VanDerWaalsContact O-CG 3.24Å; A14-L18 WeakPolarHBondContact O-CG 3.31Å; A14-L18 PolarHBondContact O-N 3.34Å; A14-L203 HydrophobicContact CB-CD2 3.26Å; A14-L203 HydrophobicContact CB-CG 4.43Å; A14-L206 HydrophobicContact CB-CD1 3.79Å
15D77.4Confident76.8Confident56 Ų5692.6 Ų92.630%0.29946%0.455SS..Hα-helixtrans-65.3-36177.3-94.8-14.2000111.8E11 D12 L18 R19 K202E11-D15 WeakPolarHBondContact O-CB 3.43Å; E11-D15 PolarHBondContact O-N 2.89Å; D12-D15 PolarHBondContact O-N 2.85Å; D15-L18 PolarHBondContact O-N 2.96Å; D15-R19 VanDerWaalsContact O-CG 3.28Å; D15-R19 WeakPolarHBondContact O-CG 3.37Å; D15-R19 PolarHBondContact O-N 3.14Å; D15-K202 WeakPolarHBondContact OD1-CD 3.46Å; D15-K202 IonicContact OD1-NZ 3.17Å; D15-K202 PolarHBondContact OD1-NZ 3.24Å; D15-K202 IonicContact OD2-NZ 3.18Å
16Q78.1Confident76.8Confident136 Ų13688.5 Ų88.564%0.63644%0.438SS*.Hα-helixtrans-64.4-46.9172.6-173.5175.2-6.200111.5D12 V13 A14 L18 R19 V20D12-Q16 WeakPolarHBondContact O-CB 3.23Å; D12-Q16 PolarHBondContact O-N 3.39Å; V13-Q16 PolarHBondContact O-N 2.91Å; A14-Q16 VanDerWaalsContact C-N 3.31Å; A14-Q16 PolarHBondContact O-N 3.05Å; Q16-L18 VanDerWaalsContact C-N 3.29Å; Q16-L18 PolarHBondContact O-N 3.47Å; Q16-R19 PolarHBondContact O-N 3.42Å; Q16-V20 WeakPolarHBondContact O-CG2 3.42Å; Q16-V20 PolarHBondContact O-N 3.38Å; Q16-V20 VanDerWaalsContact O-N 3.11Å
17F77.4Confident76.9Confident114 Ų11487.3 Ų87.350%0.543%0.429SS..Hα-helixtrans-58.7-41.8175.8-177.3-98.5000111.8V13 A14 V20 T21 L206V13-F17 WeakPolarHBondContact O-CB 3.5Å; V13-F17 PolarHBondContact O-N 3.49Å; A14-F17 PolarHBondContact O-N 3.39Å; F17-V20 PolarHBondContact O-N 2.97Å; F17-T21 WeakPolarHBondContact O-CB 3.34Å; F17-T21 PolarHBondContact O-N 3.44Å; F17-T21 PolarHBondContact O-OG1 3.03Å; F17-L206 HydrophobicContact CD1-CD2 4.36Å; F17-L206 HydrophobicContact CE1-CD2 4.37Å
18L74.8Confident77Confident19 Ų1987.5 Ų87.510%0.09943%0.432CS..Hα-helixtrans-67.6-37.1177-69.7178.4000113.1A14 D15 Q16 V20 T21 K22 L25 K202 L206 V253A14-L18 WeakPolarHBondContact O-CB 3.2Å; A14-L18 VanDerWaalsContact O-CG 3.24Å; A14-L18 WeakPolarHBondContact O-CG 3.31Å; A14-L18 PolarHBondContact O-N 3.34Å; D15-L18 PolarHBondContact O-N 2.96Å; Q16-L18 VanDerWaalsContact C-N 3.29Å; Q16-L18 PolarHBondContact O-N 3.47Å; L18-V20 VanDerWaalsContact C-N 3.34Å; L18-T21 PolarHBondContact O-N 3.21Å; L18-K22 WeakPolarHBondContact O-CA 3.23Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 PolarHBondContact O-N 3.13Å; L18-L25 HydrophobicContact CD2-CD2 3.86Å; L18-K202 HydrophobicContact CD1-CB 4.11Å; L18-K202 HydrophobicContact CD1-CD 3.88Å; L18-K202 HydrophobicContact CD1-CG 4.07Å; L18-L206 HydrophobicContact CD1-CD1 4.1Å; L18-L206 HydrophobicContact CD2-CD1 4.08Å; L18-L206 HydrophobicContact CD2-CD2 4.24Å; L18-L206 HydrophobicContact CG-CD1 3.98Å; L18-V253 HydrophobicContact CD1-CG1 3.53Å; L18-V253 HydrophobicContact CD2-CG1 3.28Å; L18-V253 HydrophobicContact CG-CG1 4.02Å
19R75.4Confident77.1Confident202 Ų20285.1 Ų85.176%0.76242%0.415SS*.Hα-helixtrans-61.7-43.9174.7-77174.4-172.4-167.95111.6D15 Q16D15-R19 VanDerWaalsContact O-CG 3.28Å; D15-R19 WeakPolarHBondContact O-CG 3.37Å; D15-R19 PolarHBondContact O-N 3.14Å; Q16-R19 PolarHBondContact O-N 3.42Å
20V75.7Confident77.2Confident109 Ų10979.9 Ų79.966%0.66139%0.39SS*.Hα-helixtrans-68.7-39.8179.2177.50000111.1Q16 F17 L18Q16-V20 WeakPolarHBondContact O-CG2 3.42Å; Q16-V20 PolarHBondContact O-N 3.38Å; Q16-V20 VanDerWaalsContact O-N 3.11Å; F17-V20 PolarHBondContact O-N 2.97Å; L18-V20 VanDerWaalsContact C-N 3.34Å
21T73.3Confident77.5Confident30 Ų3081.8 Ų81.818%0.18439%0.393CS..Hα-helixtrans-88.7-6.7-173.7-39.60000113.1F17 L18 Q23 Y24 L25F17-T21 WeakPolarHBondContact O-CB 3.34Å; F17-T21 PolarHBondContact O-N 3.44Å; F17-T21 PolarHBondContact O-OG1 3.03Å; L18-T21 PolarHBondContact O-N 3.21Å; T21-Q23 PolarHBondContact O-N 3Å; T21-Y24 PolarHBondContact O-N 3.07Å; T21-L25 HydrophobicContact CG2-CB 4.44Å; T21-L25 HydrophobicContact CG2-CD1 3.74Å; T21-L25 WeakPolarHBondContact O-CB 3.44Å; T21-L25 PolarHBondContact O-N 3.17Å
22K70.9Confident77.7Confident153 Ų15379.6 Ų79.667%0.66538%0.384SS*.THydrogen-bonded Turntrans-51.6-34.1-173.3-167.3175.9179.3-1770114.4L18 P26L18-K22 WeakPolarHBondContact O-CA 3.23Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 PolarHBondContact O-N 3.13Å; K22-P26 VanDerWaalsContact O-CD 3.25Å; K22-P26 WeakPolarHBondContact O-CD 3.43Å
23Q72.4Confident77.7Confident152 Ų15274.6 Ų74.671%0.7136%0.357SS*.THydrogen-bonded Turntrans-75.5-32-179-171.9162.2-8.500113T21 H27T21-Q23 PolarHBondContact O-N 3Å; Q23-H27 PolarHBondContact O-CD2 3.37Å
24Y76.4Confident77.9Confident164 Ų16470.1 Ų70.164%0.64333%0.33SS*.THydrogen-bonded Turntrans-98.3-27.8-176.4-60.5-76.5000113.1T21 P26 H27 L28T21-Y24 PolarHBondContact O-N 3.07Å; Y24-P26 VanDerWaalsContact C-CD 3.49Å; Y24-H27 PolarHBondContact O-N 3.43Å; Y24-H27 VanDerWaalsContact O-N 3.13Å; Y24-L28 PolarHBondContact O-N 2.84Å
25L76.6Confident78.3Confident7 Ų770.1 Ų70.14%0.03733%0.329CS..Hα-helixtrans-53.7-45.7-174.6-149.369.2000113.6L18 T21 H27 L28 A29 L250 V253 A254L18-L25 HydrophobicContact CD2-CD2 3.86Å; T21-L25 HydrophobicContact CG2-CB 4.44Å; T21-L25 HydrophobicContact CG2-CD1 3.74Å; T21-L25 WeakPolarHBondContact O-CB 3.44Å; T21-L25 PolarHBondContact O-N 3.17Å; L25-H27 PolarHBondContact O-N 2.84Å; L25-L28 PolarHBondContact O-N 2.71Å; L25-A29 VanDerWaalsContact O-CB 3.23Å; L25-A29 WeakPolarHBondContact O-CB 3.24Å; L25-A29 PolarHBondContact O-N 2.72Å; L25-L250 HydrophobicContact CD1-CD2 3.87Å; L25-L250 HydrophobicContact CG-CD2 4.43Å; L25-V253 HydrophobicContact CD2-CG1 4.34Å; L25-A254 HydrophobicContact CB-CB 4.5Å; L25-A254 HydrophobicContact CD2-CB 3.97Å; L25-A254 HydrophobicContact CG-CB 4.44Å
26P74.6Confident78.6Confident24 Ų2467.5 Ų67.516%0.15632%0.316CS..Hα-helixtrans-68.4-34.8-179.2-1831.9000112.5K22 Y24 R30 A254K22-P26 VanDerWaalsContact O-CD 3.25Å; K22-P26 WeakPolarHBondContact O-CD 3.43Å; Y24-P26 VanDerWaalsContact C-CD 3.49Å; P26-R30 VanDerWaalsContact O-CG 3.31Å; P26-R30 WeakPolarHBondContact O-CG 3.42Å; P26-R30 PolarHBondContact O-N 3Å; P26-A254 HydrophobicContact CG-CB 4.4Å
27H79.2Confident79Confident90 Ų9061.3 Ų61.342%0.41729%0.286SS..Hα-helixtrans-68.3-44.2176.7-70.8-81.8000111.3Q23 Y24 L25 R30 L31 R87Q23-H27 PolarHBondContact O-CD2 3.37Å; Y24-H27 PolarHBondContact O-N 3.43Å; Y24-H27 VanDerWaalsContact O-N 3.13Å; L25-H27 PolarHBondContact O-N 2.84Å; H27-R30 PolarHBondContact O-N 3.04Å; H27-L31 WeakPolarHBondContact O-CB 3.39Å; H27-L31 PolarHBondContact O-N 3.06Å; H27-R87 PolarHBondContact CE1-NE 3.22Å; H27-R87 VanDerWaalsContact CE1-NE 3.25Å; H27-R87 PolarHBondContact CE1-NH2 3.25Å; H27-R87 VanDerWaalsContact NE2-CZ 3.29Å; H27-R87 PolarHBondContact NE2-NH2 3.17Å
28L80.5Confident79.5Confident87 Ų8759.2 Ų59.246%0.45528%0.28SS..Hα-helixtrans-65.1-42.7176.5-170.767.3000111.2Y24 L25 R30 L31 C32 L250Y24-L28 PolarHBondContact O-N 2.84Å; L25-L28 PolarHBondContact O-N 2.71Å; L28-R30 PolarHBondContact O-N 3.1Å; L28-L31 PolarHBondContact O-N 3.46Å; L28-C32 WeakPolarHBondContact O-CB 3.04Å; L28-C32 PolarHBondContact O-N 3.33Å; L28-C32 PolarHBondContact O-SG 3.17Å; L28-C32 VanDerWaalsContact O-SG 3.33Å; L28-L250 HydrophobicContact CD2-CD1 4.25Å
29A79.4Confident80Confident0 Ų058.5 Ų58.50%028%0.276CS..Hα-helixtrans-58.6-46.3176.700000112L25 C32 L33 G247 L250 L251L25-A29 VanDerWaalsContact O-CB 3.23Å; L25-A29 WeakPolarHBondContact O-CB 3.24Å; L25-A29 PolarHBondContact O-N 2.72Å; A29-C32 PolarHBondContact O-N 2.9Å; A29-L33 WeakPolarHBondContact O-CB 3.39Å; A29-L33 WeakPolarHBondContact O-CG 3.45Å; A29-L33 PolarHBondContact O-N 3.18Å; A29-G247 WeakPolarHBondContact CB-O 3.08Å; A29-L250 HydrophobicContact CB-CB 4.03Å; A29-L251 HydrophobicContact CB-CB 4.06Å; A29-L251 HydrophobicContact CB-CD1 4.11Å
30R83.4Confident80.4Confident13 Ų1349.4 Ų49.45%0.04924%0.243CC..Hα-helixtrans-64-43.7176-71.1178-164.91729.8111.9P26 H27 L28 L33 I34 R87 L130 E133 E137P26-R30 VanDerWaalsContact O-CG 3.31Å; P26-R30 WeakPolarHBondContact O-CG 3.42Å; P26-R30 PolarHBondContact O-N 3Å; H27-R30 PolarHBondContact O-N 3.04Å; L28-R30 PolarHBondContact O-N 3.1Å; R30-L33 PolarHBondContact O-N 3.47Å; R30-I34 WeakPolarHBondContact O-CG1 3.42Å; R30-I34 PolarHBondContact O-N 2.95Å; R30-R87 VanDerWaalsContact NH1-NE 3.14Å; R30-L130 HydrophobicContact CG-CD1 4.29Å; R30-E133 IonicContact CZ-OE1 2.84Å; R30-E133 IonicContact CZ-OE2 3.85Å; R30-E133 IonicContact NE-OE1 2.71Å; R30-E133 PolarHBondContact NE-OE1 2.99Å; R30-E133 IonicContact NE-OE2 3.6Å; R30-E133 PolarHBondContact NE-OE2 3.17Å; R30-E133 VanDerWaalsContact NH2-CD 3.27Å; R30-E133 IonicContact NH2-OE1 3.36Å; R30-E133 PolarHBondContact NH2-OE1 3.47Å; R30-E133 IonicContact NH2-OE2 3.75Å; R30-E137 IonicContact CZ-OE2 3.03Å; R30-E137 VanDerWaalsContact NH2-CD 3.28Å; R30-E137 IonicContact NH2-OE1 3.68Å; R30-E137 PolarHBondContact NH2-OE1 3.24Å; R30-E137 IonicContact NH2-OE2 3.43Å; R30-E137 PolarHBondContact NH2-OE2 3.43Å
31L85.1Confident80.9Confident86 Ų8644.2 Ų44.245%0.4521%0.211SC..Hα-helixtrans-60.2-46.1176.1-173.8154.3000111.3H27 L28 I34 S35 L85H27-L31 WeakPolarHBondContact O-CB 3.39Å; H27-L31 PolarHBondContact O-N 3.06Å; L28-L31 PolarHBondContact O-N 3.46Å; L31-I34 WeakPolarHBondContact O-CG1 3.45Å; L31-I34 PolarHBondContact O-N 2.99Å; L31-S35 WeakPolarHBondContact O-CB 3.32Å; L31-S35 PolarHBondContact O-N 2.72Å; L31-L85 HydrophobicContact CD1-CD1 4.22Å; L31-L85 HydrophobicContact CG-CD1 4.45Å
32C83Confident81.6Confident13 Ų1345.9 Ų45.99%0.08822%0.219CC..Hα-helixtrans-61.6-44.3176.1-760000111.6L28 A29 I34 S35 T243 S244 G247L28-C32 WeakPolarHBondContact O-CB 3.04Å; L28-C32 PolarHBondContact O-N 3.33Å; L28-C32 PolarHBondContact O-SG 3.17Å; L28-C32 VanDerWaalsContact O-SG 3.33Å; A29-C32 PolarHBondContact O-N 2.9Å; C32-I34 PolarHBondContact O-N 3.46Å; C32-S35 VanDerWaalsContact O-CB 3.28Å; C32-S35 WeakPolarHBondContact O-CB 3.28Å; C32-S35 PolarHBondContact O-N 3.28Å; C32-S35 PolarHBondContact O-OG 3.26Å; C32-T243 HydrophobicContact CB-CG2 4.14Å; C32-T243 WeakPolarHBondContact CB-O 3.21Å; C32-S244 VanDerWaalsContact O-CA 3.29Å; C32-S244 WeakPolarHBondContact O-CA 3.47Å; C32-G247 VanDerWaalsContact CB-CA 3.41Å
33L81.2Confident82.2Confident4 Ų440.1 Ų40.12%0.02119%0.193CC..Hα-helixtrans-60.7-45.2177.6-80.4168.8000112.3A29 R30 S35 L130 S244 L251A29-L33 WeakPolarHBondContact O-CB 3.39Å; A29-L33 WeakPolarHBondContact O-CG 3.45Å; A29-L33 PolarHBondContact O-N 3.18Å; R30-L33 PolarHBondContact O-N 3.47Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 3.45Å; L33-L130 HydrophobicContact CB-CD1 4.44Å; L33-L130 HydrophobicContact CD1-CD1 4.43Å; L33-S244 PolarHBondContact O-OG 3.4Å; L33-S244 VanDerWaalsContact O-OG 3.14Å; L33-L251 HydrophobicContact CD1-CD2 4.02Å
34I85.3Confident82.8Confident4 Ų433 Ų332%0.02116%0.16CC..Hα-helixtrans-81-7.6179.271.5-177.3000113.7R30 L31 C32 T36 F37 L38 C81 I84 L85 L130R30-I34 WeakPolarHBondContact O-CG1 3.42Å; R30-I34 PolarHBondContact O-N 2.95Å; L31-I34 WeakPolarHBondContact O-CG1 3.45Å; L31-I34 PolarHBondContact O-N 2.99Å; C32-I34 PolarHBondContact O-N 3.46Å; I34-T36 PolarHBondContact O-N 3.13Å; I34-F37 PolarHBondContact O-N 2.85Å; I34-L38 PolarHBondContact O-N 2.89Å; I34-C81 HydrophobicContact CD1-CB 4.16Å; I34-I84 HydrophobicContact CD1-CG2 4.45Å; I34-I84 HydrophobicContact CG2-CB 4.29Å; I34-I84 HydrophobicContact CG2-CD1 3.88Å; I34-I84 HydrophobicContact CG2-CG2 3.79Å; I34-L85 HydrophobicContact CD1-CB 4.27Å; I34-L85 HydrophobicContact CD1-CD1 4.14Å; I34-L130 HydrophobicContact CG2-CD1 4.08Å
35S84.9Confident83.3Confident9 Ų933.2 Ų33.26%0.06316%0.159CC..Hα-helixtrans-58.2-33.9-175.471.10000112.6L31 C32 L33 L38 E39L31-S35 WeakPolarHBondContact O-CB 3.32Å; L31-S35 PolarHBondContact O-N 2.72Å; C32-S35 VanDerWaalsContact O-CB 3.28Å; C32-S35 WeakPolarHBondContact O-CB 3.28Å; C32-S35 PolarHBondContact O-N 3.28Å; C32-S35 PolarHBondContact O-OG 3.26Å; L33-S35 VanDerWaalsContact C-N 3.29Å; L33-S35 PolarHBondContact O-N 3.45Å; S35-L38 PolarHBondContact O-N 3.13Å; S35-E39 WeakPolarHBondContact O-CB 2.97Å; S35-E39 PolarHBondContact O-N 3.01Å
36T83.9Confident83.7Confident2 Ų240.9 Ų40.91%0.01219%0.193CC..Hα-helixtrans-69.5-35.5177.8-39.90000112.5I34 D40 L123 Y237 F240 S244I34-T36 PolarHBondContact O-N 3.13Å; T36-D40 WeakPolarHBondContact O-CB 3.32Å; T36-D40 PolarHBondContact O-N 3.45Å; T36-L123 VanDerWaalsContact CB-CD2 3.48Å; T36-L123 HydrophobicContact CG2-CD2 3.5Å; T36-L123 VanDerWaalsContact CG2-CD2 3.5Å; T36-L123 HydrophobicContact CG2-CG 4.38Å; T36-Y237 HydrophobicContact CG2-CE2 4.04Å; T36-F240 PolarHBondContact OG1-O 3.47Å; T36-S244 WeakPolarHBondContact OG1-CB 3.33Å
37F85.9Confident84.2Confident5 Ų542 Ų422%0.02220%0.196CC..Hα-helixtrans-71.5-36.6172.7-65.2-76.4000111.7I34 D40 G41 C81 L97 I101 L123 L127I34-F37 PolarHBondContact O-N 2.85Å; F37-D40 PolarHBondContact O-N 2.69Å; F37-G41 PolarHBondContact O-N 2.96Å; F37-C81 VanDerWaalsContact CB-SG 3.53Å; F37-L97 HydrophobicContact CD1-CD2 4.23Å; F37-I101 HydrophobicContact CE1-CD1 3.77Å; F37-I101 HydrophobicContact CE1-CG1 3.9Å; F37-I101 HydrophobicContact CZ-CD1 3.78Å; F37-I101 HydrophobicContact CZ-CG1 4.42Å; F37-L123 HydrophobicContact CD2-CD2 4.32Å; F37-L123 HydrophobicContact CE1-CB 4.28Å; F37-L123 HydrophobicContact CE1-CD1 4.37Å; F37-L123 HydrophobicContact CE1-CD2 4.15Å; F37-L123 HydrophobicContact CE2-CD2 3.92Å; F37-L123 HydrophobicContact CZ-CB 3.83Å; F37-L123 HydrophobicContact CZ-CD2 3.82Å; F37-L123 HydrophobicContact CZ-CG 4.32Å; F37-L127 HydrophobicContact CE1-CD1 4.27Å; F37-L127 HydrophobicContact CE2-CD1 4.13Å; F37-L127 HydrophobicContact CE2-CD2 3.77Å; F37-L127 HydrophobicContact CE2-CG 3.76Å; F37-L127 HydrophobicContact CZ-CD1 3.51Å; F37-L127 HydrophobicContact CZ-CD2 4.02Å; F37-L127 HydrophobicContact CZ-CG 3.64Å
38L86.9Confident84.5Confident71 Ų7140.6 Ų40.637%0.37219%0.187SC..Hα-helixtrans-66.6-41.3176.5-172.3142.1000111.2I34 S35 I42I34-L38 PolarHBondContact O-N 2.89Å; S35-L38 PolarHBondContact O-N 3.13Å; L38-I42 HydrophobicContact CD2-CD1 3.49Å; L38-I42 VanDerWaalsContact CD2-CD1 3.49Å; L38-I42 HydrophobicContact CD2-CG1 4.47Å; L38-I42 HydrophobicContact CG-CD1 4.26Å; L38-I42 WeakPolarHBondContact O-CB 3.5Å; L38-I42 VanDerWaalsContact O-CG1 3.22Å; L38-I42 WeakPolarHBondContact O-CG1 3.23Å; L38-I42 PolarHBondContact O-N 3.35Å
39E86.1Confident84.8Confident3 Ų341 Ų411%0.01419%0.189CC..Hα-helixtrans-59.9-48.3171.8-168.9-70.1138.200111.8S35 I42 R43 K236 F240S35-E39 WeakPolarHBondContact O-CB 2.97Å; S35-E39 PolarHBondContact O-N 3.01Å; E39-I42 PolarHBondContact O-N 3.43Å; E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.08Å; E39-R43 IonicContact OE1-NH1 2.69Å; E39-R43 IonicContact OE2-CZ 2.72Å; E39-R43 IonicContact OE2-NH1 3.85Å; E39-R43 PolarHBondContact OE2-NH1 3.5Å; E39-K236 HydrophobicContact CG-CD 4.47Å; E39-K236 HydrophobicContact CG-CG 4.43Å; E39-K236 WeakPolarHBondContact OE1-CD 3.32Å; E39-K236 WeakPolarHBondContact OE1-CE 3.44Å; E39-K236 IonicContact OE1-NZ 3.13Å; E39-K236 PolarHBondContact OE1-NZ 3.23Å; E39-F240 HydrophobicContact CB-CB 4.36Å; E39-F240 HydrophobicContact CB-CD1 4.32Å; E39-F240 HydrophobicContact CB-CD2 3.96Å; E39-F240 HydrophobicContact CB-CE2 4.34Å; E39-F240 HydrophobicContact CB-CG 3.95Å; E39-F240 HydrophobicContact CG-CB 4.39Å; E39-F240 HydrophobicContact CG-CD2 3.37Å; E39-F240 HydrophobicContact CG-CE2 3.69Å; E39-F240 HydrophobicContact CG-CG 3.88Å; E39-F240 HydrophobicContact CG-CZ 4.42Å
40D83.8Confident85Confident11 Ų1147 Ų476%0.05922%0.217CC..Hα-helixtrans-60.9-46.7179.7-171.324.8000111.3T36 F37 I42 R43 M44 Q77 Q104T36-D40 WeakPolarHBondContact O-CB 3.32Å; T36-D40 PolarHBondContact O-N 3.45Å; F37-D40 PolarHBondContact O-N 2.69Å; D40-I42 PolarHBondContact O-N 3.06Å; D40-R43 PolarHBondContact O-N 3.28Å; D40-R43 IonicContact OD1-CZ 2.82Å; D40-R43 IonicContact OD1-NE 2.73Å; D40-R43 IonicContact OD1-NH2 3.91Å; D40-R43 PolarHBondContact OD1-NH2 3.05Å; D40-M44 WeakPolarHBondContact O-CB 3.28Å; D40-M44 PolarHBondContact O-N 3Å; D40-Q77 PolarHBondContact OD2-NE2 3.32Å; D40-Q77 PolarHBondContact OD2-OE1 3.35Å; D40-Q104 PolarHBondContact OD2-NE2 3.49Å; D40-Q104 VanDerWaalsContact OD2-NE2 3.08Å
41G86.2Confident84.9Confident0 Ų048 Ų480%022%0.222CC..Hα-helixtrans-61.2-42.7175.900000112.9F37 M44 W45 L74 Q77F37-G41 PolarHBondContact O-N 2.96Å; G41-M44 PolarHBondContact O-N 2.91Å; G41-W45 PolarHBondContact O-N 3.41Å; G41-L74 WeakPolarHBondContact O-CD1 3.33Å; G41-Q77 VanDerWaalsContact N-OE1 3.16Å
42I87Confident84.8Confident66 Ų6644.2 Ų44.234%0.33820%0.202SC..Hα-helixtrans-64.7-43.9175.8-71.1172.1000110.9L38 E39 D40 M44 W45 F46L38-I42 HydrophobicContact CD2-CD1 3.49Å; L38-I42 VanDerWaalsContact CD2-CD1 3.49Å; L38-I42 HydrophobicContact CD2-CG1 4.47Å; L38-I42 HydrophobicContact CG-CD1 4.26Å; L38-I42 WeakPolarHBondContact O-CB 3.5Å; L38-I42 VanDerWaalsContact O-CG1 3.22Å; L38-I42 WeakPolarHBondContact O-CG1 3.23Å; L38-I42 PolarHBondContact O-N 3.35Å; E39-I42 PolarHBondContact O-N 3.43Å; D40-I42 PolarHBondContact O-N 3.06Å; I42-M44 VanDerWaalsContact C-N 3.33Å; I42-M44 PolarHBondContact O-N 3.06Å; I42-W45 WeakPolarHBondContact O-CB 3.35Å; I42-W45 PolarHBondContact O-N 3.14Å; I42-F46 HydrophobicContact CG2-CD2 3.75Å; I42-F46 HydrophobicContact CG2-CE2 3.64Å; I42-F46 VanDerWaalsContact O-CD2 3.26Å; I42-F46 WeakPolarHBondContact O-CD2 3.12Å; I42-F46 PolarHBondContact O-N 3.24Å; I42-F46 VanDerWaalsContact O-N 3.15Å
43R84.2Confident85Confident32 Ų3247.5 Ų47.512%0.12122%0.219CC..Hα-helixtrans-59.9-45.8177.3-179.7179.763.2-140.11.5110.8E39 D40 W45 F46 Q47E39-R43 WeakPolarHBondContact O-CB 3.47Å; E39-R43 PolarHBondContact O-N 3.08Å; E39-R43 IonicContact OE1-NH1 2.69Å; E39-R43 IonicContact OE2-CZ 2.72Å; E39-R43 IonicContact OE2-NH1 3.85Å; E39-R43 PolarHBondContact OE2-NH1 3.5Å; D40-R43 PolarHBondContact O-N 3.28Å; D40-R43 IonicContact OD1-CZ 2.82Å; D40-R43 IonicContact OD1-NE 2.73Å; D40-R43 IonicContact OD1-NH2 3.91Å; D40-R43 PolarHBondContact OD1-NH2 3.05Å; R43-W45 VanDerWaalsContact C-N 3.25Å; R43-W45 PolarHBondContact O-N 2.89Å; R43-F46 PolarHBondContact O-N 2.93Å; R43-Q47 WeakPolarHBondContact O-CB 3.49Å; R43-Q47 PolarHBondContact O-N 2.82Å
44M84.6Confident85Confident3 Ų352.5 Ų52.52%0.01524%0.239CC..Hα-helixtrans-62.8-32.4178.3-158.5178.1-142.200112.4D40 G41 I42 W48 Q51 V70 N73 L74 Y108D40-M44 WeakPolarHBondContact O-CB 3.28Å; D40-M44 PolarHBondContact O-N 3Å; G41-M44 PolarHBondContact O-N 2.91Å; I42-M44 VanDerWaalsContact C-N 3.33Å; I42-M44 PolarHBondContact O-N 3.06Å; M44-W48 VanDerWaalsContact O-CA 3.29Å; M44-W48 WeakPolarHBondContact O-CA 3.22Å; M44-W48 PolarHBondContact O-N 3.49Å; M44-Q51 HydrophobicContact CG-CG 4.13Å; M44-V70 HydrophobicContact CE-CB 4.11Å; M44-V70 HydrophobicContact CE-CG1 3.77Å; M44-V70 HydrophobicContact CE-CG2 4.13Å; M44-V70 HydrophobicContact CG-CG1 3.89Å; M44-V70 HydrophobicContact SD-CG1 4.02Å; M44-N73 HydrophobicContact CE-CB 3.74Å; M44-N73 HydrophobicContact SD-CB 3.77Å; M44-L74 HydrophobicContact CB-CD1 4.44Å; M44-L74 HydrophobicContact SD-CB 4.1Å; M44-Y108 VanDerWaalsContact CE-OH 3.31Å; M44-Y108 WeakPolarHBondContact CE-OH 3.34Å
45W87.2Confident84.9Confident168 Ų16852.4 Ų52.464%0.63624%0.238SC*.Hα-helixtrans-64.6-46.4172.8-174.7-87000112.3G41 I42 R43 L74G41-W45 PolarHBondContact O-N 3.41Å; I42-W45 WeakPolarHBondContact O-CB 3.35Å; I42-W45 PolarHBondContact O-N 3.14Å; R43-W45 VanDerWaalsContact C-N 3.25Å; R43-W45 PolarHBondContact O-N 2.89Å; W45-L74 HydrophobicContact CB-CD1 4.18Å; W45-L74 HydrophobicContact CE3-CD1 4.16Å; W45-L74 HydrophobicContact CE3-CD2 3.51Å; W45-L74 HydrophobicContact CE3-CG 4.32Å; W45-L74 HydrophobicContact CZ3-CD2 3.89Å
46F85.5Confident84.9Confident168 Ų16855 Ų5574%0.73725%0.249SC*.Hα-helixtrans-74.9-36.5-179-76.3-69.9000113.1I42 R43 W48I42-F46 HydrophobicContact CG2-CD2 3.75Å; I42-F46 HydrophobicContact CG2-CE2 3.64Å; I42-F46 VanDerWaalsContact O-CD2 3.26Å; I42-F46 WeakPolarHBondContact O-CD2 3.12Å; I42-F46 PolarHBondContact O-N 3.24Å; I42-F46 VanDerWaalsContact O-N 3.15Å; R43-F46 PolarHBondContact O-N 2.93Å; F46-W48 VanDerWaalsContact C-N 3.35Å
47Q85Confident84.9Confident47 Ų4759 Ų5922%0.2228%0.283CS..THydrogen-bonded Turntrans-98.529.2-179.6-68.8172.1-20.100112.4R43 N49 E50 Q51 D233R43-Q47 WeakPolarHBondContact O-CB 3.49Å; R43-Q47 PolarHBondContact O-N 2.82Å; Q47-N49 VanDerWaalsContact C-N 3.28Å; Q47-N49 PolarHBondContact O-N 3.16Å; Q47-N49 VanDerWaalsContact O-N 3.17Å; Q47-E50 PolarHBondContact O-N 3.11Å; Q47-Q51 WeakPolarHBondContact O-CG 3.42Å; Q47-Q51 PolarHBondContact O-N 2.89Å; Q47-Q51 VanDerWaalsContact O-N 3.08Å; Q47-D233 PolarHBondContact NE2-OD2 3.26Å
48W85.2Confident84.7Confident61 Ų6161.5 Ų61.523%0.23130%0.298CS..Hα-helixtrans-53-41.5-172.7176.2-105.8000114M44 F46 K52 T67 V70 L71 L74M44-W48 VanDerWaalsContact O-CA 3.29Å; M44-W48 WeakPolarHBondContact O-CA 3.22Å; M44-W48 PolarHBondContact O-N 3.49Å; F46-W48 VanDerWaalsContact C-N 3.35Å; W48-K52 HydrophobicContact CD2-CD 4.49Å; W48-K52 HydrophobicContact CZ2-CD 4.26Å; W48-K52 WeakPolarHBondContact O-CE 3.17Å; W48-K52 WeakPolarHBondContact O-CG 3.47Å; W48-K52 PolarHBondContact O-N 3.37Å; W48-T67 HydrophobicContact CZ2-CG2 3.89Å; W48-V70 HydrophobicContact CD2-CG1 4.04Å; W48-V70 HydrophobicContact CE3-CB 4.46Å; W48-V70 HydrophobicContact CE3-CG1 3.35Å; W48-V70 HydrophobicContact CH2-CB 4.35Å; W48-V70 HydrophobicContact CH2-CG1 4.03Å; W48-V70 HydrophobicContact CZ3-CB 4.11Å; W48-V70 HydrophobicContact CZ3-CG1 3.34Å; W48-L71 HydrophobicContact CH2-CB 3.73Å; W48-L71 HydrophobicContact CH2-CD1 4.08Å; W48-L71 HydrophobicContact CH2-CG 4.12Å; W48-L71 HydrophobicContact CZ3-CB 4.47Å; W48-L74 HydrophobicContact CE3-CD2 4.1Å; W48-L74 HydrophobicContact CZ3-CB 4.49Å; W48-L74 HydrophobicContact CZ3-CD2 3.64Å
49N86.1Confident84.3Confident95 Ų9563.8 Ų63.851%0.50830%0.302SS..Hα-helixtrans-70.3-47.6-178.7-64.5-36.7000111.8Q47 Q51 K52 D53Q47-N49 VanDerWaalsContact C-N 3.28Å; Q47-N49 PolarHBondContact O-N 3.16Å; Q47-N49 VanDerWaalsContact O-N 3.17Å; N49-Q51 PolarHBondContact O-N 3.31Å; N49-K52 PolarHBondContact O-N 3.06Å; N49-K52 VanDerWaalsContact O-N 3.14Å; N49-K52 PolarHBondContact OD1-NZ 3.38Å; N49-D53 PolarHBondContact O-N 3.11Å
50E84.2Confident84Confident125 Ų12567 Ų6758%0.58434%0.335SS*.Hα-helixtrans-58.3-38.5178.4-62.2173.9-177.500112Q47 Y54Q47-E50 PolarHBondContact O-N 3.11Å; E50-Y54 WeakPolarHBondContact O-CB 3.35Å; E50-Y54 PolarHBondContact O-N 3.21Å
51Q80.8Confident83.5Confident34 Ų3467.3 Ų67.316%0.15934%0.339CS..Hα-helixtrans-67.2-41.3178.2-68.2-67.1-2200112.6M44 Q47 N49 I55 V70 Y108M44-Q51 HydrophobicContact CG-CG 4.13Å; Q47-Q51 WeakPolarHBondContact O-CG 3.42Å; Q47-Q51 PolarHBondContact O-N 2.89Å; Q47-Q51 VanDerWaalsContact O-N 3.08Å; N49-Q51 PolarHBondContact O-N 3.31Å; Q51-I55 WeakPolarHBondContact O-CG1 3.43Å; Q51-I55 PolarHBondContact O-N 3.31Å; Q51-V70 HydrophobicContact CB-CG1 4.18Å; Q51-V70 HydrophobicContact CB-CG2 4.08Å; Q51-Y108 PolarHBondContact OE1-OH 3.2Å
52K84.8Confident83.5Confident7 Ų769.5 Ų69.53%0.0336%0.361CS..Hα-helixtrans-67.2-45.9176.5-71.8175-71166.50111.1W48 N49 Y54 I55 E56 Y63 T67 V70W48-K52 HydrophobicContact CD2-CD 4.49Å; W48-K52 HydrophobicContact CZ2-CD 4.26Å; W48-K52 WeakPolarHBondContact O-CE 3.17Å; W48-K52 WeakPolarHBondContact O-CG 3.47Å; W48-K52 PolarHBondContact O-N 3.37Å; N49-K52 PolarHBondContact O-N 3.06Å; N49-K52 VanDerWaalsContact O-N 3.14Å; N49-K52 PolarHBondContact OD1-NZ 3.38Å; K52-Y54 VanDerWaalsContact C-N 3.27Å; K52-Y54 PolarHBondContact O-N 2.77Å; K52-I55 PolarHBondContact O-N 3.01Å; K52-E56 WeakPolarHBondContact O-CB 3.36Å; K52-E56 PolarHBondContact O-N 3.47Å; K52-Y63 HydrophobicContact CB-CE2 4.44Å; K52-Y63 PolarHBondContact NZ-OH 3.03Å; K52-T67 HydrophobicContact CD-CG2 4.2Å; K52-T67 VanDerWaalsContact CD-OG1 3.31Å; K52-T67 WeakPolarHBondContact CD-OG1 3.36Å; K52-V70 HydrophobicContact CG-CB 4.18Å; K52-V70 HydrophobicContact CG-CG1 4.46Å; K52-V70 HydrophobicContact CG-CG2 3.84Å
53D85.5Confident83.3Confident82 Ų8271.5 Ų71.544%0.43937%0.365SS..Hα-helixtrans-62.2-38.6-179-62.4-11.8000110.6N49 A57N49-D53 PolarHBondContact O-N 3.11Å; D53-A57 VanDerWaalsContact O-CB 3.28Å; D53-A57 WeakPolarHBondContact O-CB 3.32Å; D53-A57 PolarHBondContact O-N 3.04Å
54Y82.8Confident83.5Confident110 Ų11077.7 Ų77.743%0.43139%0.393SS..Hα-helixtrans-62.4-46.8174.5-179.6-89.1000112.7E50 K52 A57 T58 Y108E50-Y54 WeakPolarHBondContact O-CB 3.35Å; E50-Y54 PolarHBondContact O-N 3.21Å; K52-Y54 VanDerWaalsContact C-N 3.27Å; K52-Y54 PolarHBondContact O-N 2.77Å; Y54-A57 PolarHBondContact O-N 2.93Å; Y54-T58 WeakPolarHBondContact CE1-OG1 3.32Å; Y54-T58 WeakPolarHBondContact O-CB 3.46Å; Y54-T58 PolarHBondContact O-N 3.03Å; Y54-T58 PolarHBondContact O-OG1 2.99Å; Y54-Y108 AromaticContact CD1-CD1 3.63Å; Y54-Y108 HydrophobicContact CD1-CD1 3.63Å; Y54-Y108 AromaticContact CD1-CE1 3.71Å; Y54-Y108 HydrophobicContact CD1-CE1 3.71Å; Y54-Y108 AromaticContact CE1-CD1 3.32Å; Y54-Y108 HydrophobicContact CE1-CD1 3.32Å; Y54-Y108 AromaticContact CE1-CE1 3.92Å; Y54-Y108 HydrophobicContact CE1-CE1 3.92Å; Y54-Y108 HydrophobicContact CE1-CG 4.24Å
55I82.8Confident83.5Confident1 Ų182.1 Ų82.11%0.00542%0.417CS..Hα-helixtrans-67.5-41.6-179.7-67-65.9000111Q51 K52 T58 W59 A66 F69 A107 Y108Q51-I55 WeakPolarHBondContact O-CG1 3.43Å; Q51-I55 PolarHBondContact O-N 3.31Å; K52-I55 PolarHBondContact O-N 3.01Å; I55-T58 PolarHBondContact O-N 3.49Å; I55-W59 WeakPolarHBondContact O-CB 3.13Å; I55-W59 PolarHBondContact O-N 3.31Å; I55-A66 HydrophobicContact CB-CB 4.15Å; I55-A66 HydrophobicContact CG2-CB 3.92Å; I55-F69 HydrophobicContact CD1-CD1 4.2Å; I55-F69 HydrophobicContact CD1-CE1 4.05Å; I55-F69 HydrophobicContact CG1-CD1 4.12Å; I55-F69 HydrophobicContact CG1-CE1 4.41Å; I55-A107 HydrophobicContact CD1-CB 4.17Å; I55-Y108 HydrophobicContact CD1-CD1 4.26Å; I55-Y108 HydrophobicContact CD1-CD2 4.5Å; I55-Y108 HydrophobicContact CD1-CE1 3.95Å; I55-Y108 HydrophobicContact CD1-CE2 4.22Å; I55-Y108 HydrophobicContact CG1-CE1 4.47Å
56E85.1Confident83.4Confident64 Ų6474.1 Ų74.130%0.29939%0.386SS..Hα-helixtrans-60.1-46.4174.8176.9168.1-14100111.2K52 T58 G60 Y63 A66K52-E56 WeakPolarHBondContact O-CB 3.36Å; K52-E56 PolarHBondContact O-N 3.47Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 3Å; E56-G60 WeakPolarHBondContact O-CA 3.28Å; E56-G60 PolarHBondContact O-N 3.49Å; E56-Y63 PolarHBondContact OE1-N 2.95Å; E56-A66 HydrophobicContact CB-CB 4.22Å
57A83.6Confident83.5Confident87 Ų8767.7 Ų67.772%0.71936%0.36SS*.Hα-helixtrans-64.4-36.3177.500000112.9D53 Y54D53-A57 VanDerWaalsContact O-CB 3.28Å; D53-A57 WeakPolarHBondContact O-CB 3.32Å; D53-A57 PolarHBondContact O-N 3.04Å; Y54-A57 PolarHBondContact O-N 2.93Å
58T80.4Confident83.7Confident56 Ų5668.1 Ų68.134%0.34437%0.368SS..Hα-helixtrans-77.4-44.2-177.1-55.20000112.1Y54 I55 E56Y54-T58 WeakPolarHBondContact CE1-OG1 3.32Å; Y54-T58 WeakPolarHBondContact O-CB 3.46Å; Y54-T58 PolarHBondContact O-N 3.03Å; Y54-T58 PolarHBondContact O-OG1 2.99Å; I55-T58 PolarHBondContact O-N 3.49Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 3Å
59W79.4Confident83.8Confident120 Ų12066.3 Ų66.346%0.45536%0.362SS..Hα-helixtrans-96.2-12.4-174.4-79.330.9000113.1I55 C61 V106 A107I55-W59 WeakPolarHBondContact O-CB 3.13Å; I55-W59 PolarHBondContact O-N 3.31Å; W59-C61 HydrophobicContact CB-CB 4.05Å; W59-C61 VanDerWaalsContact CB-SG 3.59Å; W59-C61 PolarHBondContact O-N 3.37Å; W59-C61 VanDerWaalsContact O-N 3.09Å; W59-V106 HydrophobicContact CZ2-CG1 4.37Å; W59-A107 HydrophobicContact CZ2-CB 4.02Å; W59-A107 PolarHBondContact NE1-O 3.41Å
60G79.8Confident83.9Confident69 Ų6961.8 Ų61.871%0.71134%0.338SS*.  trans58.717.9-169.200000112.5E56E56-G60 WeakPolarHBondContact O-CA 3.28Å; E56-G60 PolarHBondContact O-N 3.49Å
61C74.2Confident84.2Confident19 Ų1959.9 Ų59.913%0.12833%0.331CS..  trans-89.1119.8179.870.80000107.5W59 L65W59-C61 HydrophobicContact CB-CB 4.05Å; W59-C61 VanDerWaalsContact CB-SG 3.59Å; W59-C61 PolarHBondContact O-N 3.37Å; W59-C61 VanDerWaalsContact O-N 3.09Å; C61-L65 HydrophobicContact CB-CB 4.14Å; C61-L65 HydrophobicContact CB-CD2 3.64Å; C61-L65 HydrophobicContact CB-CG 4.43Å
62G84.8Confident84.7Confident46 Ų4662.6 Ų62.647%0.47435%0.346SS..  trans-53.5157.4-172.800000113.3F64 L65G62-F64 PolarHBondContact O-N 3.33Å; G62-L65 PolarHBondContact O-N 2.82Å
63Y83.7Confident85Confident108 Ų10862.3 Ų62.342%0.42435%0.345SS..Hα-helixtrans-37-35.7-174.7-160.6-101.2000117.4K52 E56 T67K52-Y63 HydrophobicContact CB-CE2 4.44Å; K52-Y63 PolarHBondContact NZ-OH 3.03Å; E56-Y63 PolarHBondContact OE1-N 2.95Å; Y63-T67 VanDerWaalsContact O-CB 3.28Å; Y63-T67 WeakPolarHBondContact O-CB 3.36Å; Y63-T67 PolarHBondContact O-N 3.39Å; Y63-T67 PolarHBondContact O-OG1 2.98Å
64F87.1Confident85.2Confident162 Ų16258.7 Ų58.771%0.71133%0.326SS*.Hα-helixtrans-63-48.2177.8-178.1-101.1000112.7G62 T67 C68G62-F64 PolarHBondContact O-N 3.33Å; F64-T67 PolarHBondContact O-N 3Å; F64-C68 PolarHBondContact O-N 3.07Å; F64-C68 PolarHBondContact O-SG 3.45Å; F64-C68 VanDerWaalsContact O-SG 3.38Å
65L85.4Confident85.7Confident96 Ų9657.1 Ų57.150%0.50333%0.328SS..Hα-helixtrans-70.1-39.4-177.5-162.972.4000110.9C61 G62 T67 C68 F69C61-L65 HydrophobicContact CB-CB 4.14Å; C61-L65 HydrophobicContact CB-CD2 3.64Å; C61-L65 HydrophobicContact CB-CG 4.43Å; G62-L65 PolarHBondContact O-N 2.82Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.01Å; L65-C68 PolarHBondContact O-N 3.3Å; L65-F69 WeakPolarHBondContact O-CB 3.4Å; L65-F69 PolarHBondContact O-N 3.17Å
66A85.3Confident86Confident0 Ų058.3 Ų58.30%034%0.34CS..Hα-helixtrans-59.1-44.1172.400000111.4I55 E56 F69 V70I55-A66 HydrophobicContact CB-CB 4.15Å; I55-A66 HydrophobicContact CG2-CB 3.92Å; E56-A66 HydrophobicContact CB-CB 4.22Å; A66-F69 WeakPolarHBondContact O-CB 3.32Å; A66-F69 PolarHBondContact O-N 3.13Å; A66-V70 WeakPolarHBondContact O-CG2 3.34Å; A66-V70 PolarHBondContact O-N 3.26Å
67T87.2Confident86.3Confident32 Ų3255.3 Ų55.320%0.19633%0.326CS..Hα-helixtrans-62.4-46.1176.3-60.20000111.9W48 K52 Y63 F64 L65 F69 V70 L71W48-T67 HydrophobicContact CZ2-CG2 3.89Å; K52-T67 HydrophobicContact CD-CG2 4.2Å; K52-T67 VanDerWaalsContact CD-OG1 3.31Å; K52-T67 WeakPolarHBondContact CD-OG1 3.36Å; Y63-T67 VanDerWaalsContact O-CB 3.28Å; Y63-T67 WeakPolarHBondContact O-CB 3.36Å; Y63-T67 PolarHBondContact O-N 3.39Å; Y63-T67 PolarHBondContact O-OG1 2.98Å; F64-T67 PolarHBondContact O-N 3Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.01Å; T67-F69 VanDerWaalsContact C-N 3.3Å; T67-F69 PolarHBondContact O-N 3.44Å; T67-V70 PolarHBondContact O-N 2.97Å; T67-L71 VanDerWaalsContact O-CB 3.29Å; T67-L71 WeakPolarHBondContact O-CB 3.36Å; T67-L71 PolarHBondContact O-N 3.4Å
68C89.3Confident86.6Confident56 Ų5653.7 Ų53.738%0.37831%0.305SS..Hα-helixtrans-60.6-40.2176.5-71.40000112.1F64 L65 L71 L72F64-C68 PolarHBondContact O-N 3.07Å; F64-C68 PolarHBondContact O-SG 3.45Å; F64-C68 VanDerWaalsContact O-SG 3.38Å; L65-C68 PolarHBondContact O-N 3.3Å; C68-L71 PolarHBondContact O-N 3.46Å; C68-L72 WeakPolarHBondContact O-CB 3.38Å; C68-L72 PolarHBondContact O-N 2.72Å
69F88.2Confident87.1Confident23 Ų2352.6 Ų52.610%0.10131%0.305CS..Hα-helixtrans-62.5-52.9178-179.8-87.7000112I55 L65 A66 T67 L71 L72 N73 L103 A107 Y108I55-F69 HydrophobicContact CD1-CD1 4.2Å; I55-F69 HydrophobicContact CD1-CE1 4.05Å; I55-F69 HydrophobicContact CG1-CD1 4.12Å; I55-F69 HydrophobicContact CG1-CE1 4.41Å; L65-F69 WeakPolarHBondContact O-CB 3.4Å; L65-F69 PolarHBondContact O-N 3.17Å; A66-F69 WeakPolarHBondContact O-CB 3.32Å; A66-F69 PolarHBondContact O-N 3.13Å; T67-F69 VanDerWaalsContact C-N 3.3Å; T67-F69 PolarHBondContact O-N 3.44Å; F69-L71 VanDerWaalsContact C-N 3.26Å; F69-L71 PolarHBondContact O-N 2.94Å; F69-L72 PolarHBondContact O-N 3.32Å; F69-N73 WeakPolarHBondContact O-CB 3.43Å; F69-N73 PolarHBondContact O-N 3.34Å; F69-L103 HydrophobicContact CD2-CD2 4.24Å; F69-L103 HydrophobicContact CD2-CG 4.39Å; F69-L103 HydrophobicContact CE2-CD1 3.74Å; F69-L103 HydrophobicContact CE2-CD2 3.66Å; F69-L103 HydrophobicContact CE2-CG 3.43Å; F69-L103 VanDerWaalsContact CE2-CG 3.43Å; F69-L103 HydrophobicContact CZ-CD2 4.23Å; F69-L103 HydrophobicContact CZ-CG 3.93Å; F69-A107 HydrophobicContact CD2-CB 4.48Å; F69-A107 HydrophobicContact CE1-CB 3.8Å; F69-A107 HydrophobicContact CE2-CB 3.45Å; F69-A107 VanDerWaalsContact CE2-CB 3.45Å; F69-A107 HydrophobicContact CZ-CB 3.07Å; F69-Y108 AromaticContact CE1-CE2 4Å; F69-Y108 HydrophobicContact CE1-CE2 4Å
70V88Confident87.6Confident0 Ų047.1 Ų47.10%029%0.285CS..Hα-helixtrans-61.1-38.9179.31760000110.1M44 W48 Q51 K52 A66 T67 N73 L74M44-V70 HydrophobicContact CE-CB 4.11Å; M44-V70 HydrophobicContact CE-CG1 3.77Å; M44-V70 HydrophobicContact CE-CG2 4.13Å; M44-V70 HydrophobicContact CG-CG1 3.89Å; M44-V70 HydrophobicContact SD-CG1 4.02Å; W48-V70 HydrophobicContact CD2-CG1 4.04Å; W48-V70 HydrophobicContact CE3-CB 4.46Å; W48-V70 HydrophobicContact CE3-CG1 3.35Å; W48-V70 HydrophobicContact CH2-CB 4.35Å; W48-V70 HydrophobicContact CH2-CG1 4.03Å; W48-V70 HydrophobicContact CZ3-CB 4.11Å; W48-V70 HydrophobicContact CZ3-CG1 3.34Å; Q51-V70 HydrophobicContact CB-CG1 4.18Å; Q51-V70 HydrophobicContact CB-CG2 4.08Å; K52-V70 HydrophobicContact CG-CB 4.18Å; K52-V70 HydrophobicContact CG-CG1 4.46Å; K52-V70 HydrophobicContact CG-CG2 3.84Å; A66-V70 WeakPolarHBondContact O-CG2 3.34Å; A66-V70 PolarHBondContact O-N 3.26Å; T67-V70 PolarHBondContact O-N 2.97Å; V70-N73 PolarHBondContact O-N 3.09Å; V70-L74 VanDerWaalsContact O-CB 3.25Å; V70-L74 WeakPolarHBondContact O-CB 3.13Å; V70-L74 PolarHBondContact O-N 2.65Å
71L90.8Very high88Confident86 Ų8644 Ų4445%0.4525%0.253SS..Hα-helixtrans-64.4-46.3177.2-160.6140.5000112.7W48 T67 C68 F69 N73 T75W48-L71 HydrophobicContact CH2-CB 3.73Å; W48-L71 HydrophobicContact CH2-CD1 4.08Å; W48-L71 HydrophobicContact CH2-CG 4.12Å; W48-L71 HydrophobicContact CZ3-CB 4.47Å; T67-L71 VanDerWaalsContact O-CB 3.29Å; T67-L71 WeakPolarHBondContact O-CB 3.36Å; T67-L71 PolarHBondContact O-N 3.4Å; C68-L71 PolarHBondContact O-N 3.46Å; F69-L71 VanDerWaalsContact C-N 3.26Å; F69-L71 PolarHBondContact O-N 2.94Å; L71-N73 VanDerWaalsContact C-N 3.29Å; L71-N73 PolarHBondContact O-N 3.05Å; L71-T75 HydrophobicContact CD2-CG2 4.04Å; L71-T75 HydrophobicContact CG-CG2 4.45Å; L71-T75 WeakPolarHBondContact O-CB 3.4Å; L71-T75 WeakPolarHBondContact O-CG2 3.35Å; L71-T75 PolarHBondContact O-N 3.26Å; L71-T75 PolarHBondContact O-OG1 2.82Å
72L90.9Very high88.7Confident91 Ų9147.5 Ų47.548%0.47627%0.273SS..Hα-helixtrans-60.9-42.8177.2-174.9157000110.4C68 F69 T75 G76 L103C68-L72 WeakPolarHBondContact O-CB 3.38Å; C68-L72 PolarHBondContact O-N 2.72Å; F69-L72 PolarHBondContact O-N 3.32Å; L72-T75 PolarHBondContact O-OG1 2.99Å; L72-G76 WeakPolarHBondContact O-CA 3.3Å; L72-G76 PolarHBondContact O-N 3.26Å; L72-L103 HydrophobicContact CD2-CD2 3.82Å
73N90.3Very high88.9Confident0 Ų048.7 Ų48.70%027%0.268CS..Hα-helixtrans-62.9-53.2179.3-154.7-77000111.6M44 F69 V70 L71 G76 Q77 Q104M44-N73 HydrophobicContact CE-CB 3.74Å; M44-N73 HydrophobicContact SD-CB 3.77Å; F69-N73 WeakPolarHBondContact O-CB 3.43Å; F69-N73 PolarHBondContact O-N 3.34Å; V70-N73 PolarHBondContact O-N 3.09Å; L71-N73 VanDerWaalsContact C-N 3.29Å; L71-N73 PolarHBondContact O-N 3.05Å; N73-G76 PolarHBondContact O-N 2.87Å; N73-Q77 WeakPolarHBondContact O-CB 3.38Å; N73-Q77 VanDerWaalsContact O-CG 3.29Å; N73-Q77 WeakPolarHBondContact O-CG 3.43Å; N73-Q77 PolarHBondContact O-N 3.33Å; N73-Q77 PolarHBondContact OD1-NE2 3.13Å; N73-Q104 WeakPolarHBondContact ND2-CG 3.4Å; N73-Q104 PolarHBondContact OD1-NE2 3.4Å
74L90.7Very high89Confident7 Ų743.6 Ų43.64%0.03725%0.248CC..Hα-helixtrans-56.9-54.1178.7170.868.2000112.1G41 M44 W45 W48 V70 Q77 L78G41-L74 WeakPolarHBondContact O-CD1 3.33Å; M44-L74 HydrophobicContact CB-CD1 4.44Å; M44-L74 HydrophobicContact SD-CB 4.1Å; W45-L74 HydrophobicContact CB-CD1 4.18Å; W45-L74 HydrophobicContact CE3-CD1 4.16Å; W45-L74 HydrophobicContact CE3-CD2 3.51Å; W45-L74 HydrophobicContact CE3-CG 4.32Å; W45-L74 HydrophobicContact CZ3-CD2 3.89Å; W48-L74 HydrophobicContact CE3-CD2 4.1Å; W48-L74 HydrophobicContact CZ3-CB 4.49Å; W48-L74 HydrophobicContact CZ3-CD2 3.64Å; V70-L74 VanDerWaalsContact O-CB 3.25Å; V70-L74 WeakPolarHBondContact O-CB 3.13Å; V70-L74 PolarHBondContact O-N 2.65Å; L74-Q77 PolarHBondContact O-N 2.94Å; L74-L78 HydrophobicContact CD1-CD1 3.65Å; L74-L78 HydrophobicContact CD1-CG 4.28Å; L74-L78 HydrophobicContact CG-CD1 4.3Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.37Å
75T91.7Very high88.9Confident77 Ų7740.5 Ų40.547%0.47224%0.239SC..Hα-helixtrans-68.4-37.4-176.854.30000111.9L71 L72 G79L71-T75 HydrophobicContact CD2-CG2 4.04Å; L71-T75 HydrophobicContact CG-CG2 4.45Å; L71-T75 WeakPolarHBondContact O-CB 3.4Å; L71-T75 WeakPolarHBondContact O-CG2 3.35Å; L71-T75 PolarHBondContact O-N 3.26Å; L71-T75 PolarHBondContact O-OG1 2.82Å; L72-T75 PolarHBondContact O-OG1 2.99Å; T75-G79 WeakPolarHBondContact O-CA 3.41Å; T75-G79 PolarHBondContact O-N 2.88Å
76G90.5Very high88.8Confident26 Ų2638.8 Ų38.827%0.26824%0.235SC..Hα-helixtrans-66.6-40.5177.500000112.8L72 N73 G80 I100L72-G76 WeakPolarHBondContact O-CA 3.3Å; L72-G76 PolarHBondContact O-N 3.26Å; N73-G76 PolarHBondContact O-N 2.87Å; G76-G80 PolarHBondContact O-N 2.93Å; G76-I100 VanDerWaalsContact CA-CD1 3.41Å
77Q90.4Very high88.3Confident0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-68.5-52.5176.5-72-172.3-11.800112.1D40 G41 N73 L74 G79 G80 C81 I100D40-Q77 PolarHBondContact OD2-NE2 3.32Å; D40-Q77 PolarHBondContact OD2-OE1 3.35Å; G41-Q77 VanDerWaalsContact N-OE1 3.16Å; N73-Q77 WeakPolarHBondContact O-CB 3.38Å; N73-Q77 VanDerWaalsContact O-CG 3.29Å; N73-Q77 WeakPolarHBondContact O-CG 3.43Å; N73-Q77 PolarHBondContact O-N 3.33Å; N73-Q77 PolarHBondContact OD1-NE2 3.13Å; L74-Q77 PolarHBondContact O-N 2.94Å; Q77-G79 PolarHBondContact O-N 2.99Å; Q77-G80 PolarHBondContact O-N 3.41Å; Q77-C81 PolarHBondContact O-N 3.06Å; Q77-C81 PolarHBondContact O-SG 3.32Å; Q77-I100 HydrophobicContact CG-CD1 4.23Å; Q77-I100 HydrophobicContact CG-CG2 3.86Å
78L91.3Very high87.7Confident54 Ų5448.3 Ų48.328%0.28327%0.272SS..Hα-helixtrans-64.2-42.5-179.7-66.5179.3000111.3L74 C81 V82L74-L78 HydrophobicContact CD1-CD1 3.65Å; L74-L78 HydrophobicContact CD1-CG 4.28Å; L74-L78 HydrophobicContact CG-CD1 4.3Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.37Å; L78-C81 PolarHBondContact O-N 3.02Å; L78-V82 WeakPolarHBondContact O-CG2 3.28Å; L78-V82 PolarHBondContact O-N 3.27Å
79G90.4Very high87.2Confident32 Ų3252.4 Ų52.433%0.3328%0.284SS..Hα-helixtrans-61.7-44.5174.400000112.4T75 Q77 C81 V82 L83T75-G79 WeakPolarHBondContact O-CA 3.41Å; T75-G79 PolarHBondContact O-N 2.88Å; Q77-G79 PolarHBondContact O-N 2.99Å; G79-C81 PolarHBondContact O-N 2.89Å; G79-V82 PolarHBondContact O-N 3.11Å; G79-L83 WeakPolarHBondContact O-CB 3.48Å; G79-L83 WeakPolarHBondContact O-CG 3.43Å; G79-L83 PolarHBondContact O-N 2.98Å
80G89.1Confident86.8Confident5 Ų552.1 Ų52.15%0.05228%0.284CS..Hα-helixtrans-59.2-45.417500000112.5G76 Q77 L83 I84G76-G80 PolarHBondContact O-N 2.93Å; Q77-G80 PolarHBondContact O-N 3.41Å; G80-L83 PolarHBondContact O-N 3Å; G80-I84 VanDerWaalsContact O-CG1 3.28Å; G80-I84 WeakPolarHBondContact O-CG1 3.45Å; G80-I84 PolarHBondContact O-N 3Å
81C88.4Confident86.6Confident4 Ų456.4 Ų56.43%0.02730%0.304CS..Hα-helixtrans-59.9-46175.5-71.20000112.3I34 F37 Q77 L78 G79 I84 L85I34-C81 HydrophobicContact CD1-CB 4.16Å; F37-C81 VanDerWaalsContact CB-SG 3.53Å; Q77-C81 PolarHBondContact O-N 3.06Å; Q77-C81 PolarHBondContact O-SG 3.32Å; L78-C81 PolarHBondContact O-N 3.02Å; G79-C81 PolarHBondContact O-N 2.89Å; C81-I84 PolarHBondContact O-N 2.93Å; C81-L85 WeakPolarHBondContact O-CB 3.29Å; C81-L85 PolarHBondContact O-N 3.32Å
82V89.6Confident86.5Confident92 Ų9260.4 Ų60.456%0.55831%0.314SS*.Hα-helixtrans-63.7-42178.8171.50000111.3L78 G79 L85 S86L78-V82 WeakPolarHBondContact O-CG2 3.28Å; L78-V82 PolarHBondContact O-N 3.27Å; G79-V82 PolarHBondContact O-N 3.11Å; V82-L85 PolarHBondContact O-N 3.35Å; V82-S86 WeakPolarHBondContact O-CB 3.31Å; V82-S86 PolarHBondContact O-N 3.07Å; V82-S86 PolarHBondContact O-OG 3.46Å
83L88.6Confident86.3Confident71 Ų7156.3 Ų56.337%0.37229%0.294SS..Hα-helixtrans-64.4-43.6177.9-74169.2000112.1G79 G80 L85 S86 R87 H88 A93G79-L83 WeakPolarHBondContact O-CB 3.48Å; G79-L83 WeakPolarHBondContact O-CG 3.43Å; G79-L83 PolarHBondContact O-N 2.98Å; G80-L83 PolarHBondContact O-N 3Å; L83-L85 PolarHBondContact O-N 3.4Å; L83-S86 PolarHBondContact O-N 3.24Å; L83-R87 PolarHBondContact O-N 3.39Å; L83-R87 VanDerWaalsContact O-N 3.17Å; L83-H88 PolarHBondContact O-N 2.9Å; L83-A93 HydrophobicContact CB-CB 3.8Å; L83-A93 HydrophobicContact CD1-CB 4.3Å
84I86.5Confident86.1Confident1 Ų156.3 Ų56.31%0.00529%0.294CS..Hα-helixtrans-61.5-45.1176.1-70.1169.4000110.8I34 G80 C81 R87 V90 A93 L97 L127 L130I34-I84 HydrophobicContact CD1-CG2 4.45Å; I34-I84 HydrophobicContact CG2-CB 4.29Å; I34-I84 HydrophobicContact CG2-CD1 3.88Å; I34-I84 HydrophobicContact CG2-CG2 3.79Å; G80-I84 VanDerWaalsContact O-CG1 3.28Å; G80-I84 WeakPolarHBondContact O-CG1 3.45Å; G80-I84 PolarHBondContact O-N 3Å; C81-I84 PolarHBondContact O-N 2.93Å; I84-R87 PolarHBondContact O-N 3.04Å; I84-V90 HydrophobicContact CG1-CG1 4.45Å; I84-A93 HydrophobicContact CD1-CB 4.38Å; I84-A93 HydrophobicContact CG1-CB 3.8Å; I84-L97 HydrophobicContact CD1-CD1 3.45Å; I84-L97 VanDerWaalsContact CD1-CD1 3.45Å; I84-L127 HydrophobicContact CD1-CD2 4.48Å; I84-L130 HydrophobicContact CD1-CD1 4.5Å; I84-L130 HydrophobicContact CG1-CD2 4.48Å; I84-L130 HydrophobicContact CG2-CD1 3.65Å; I84-L130 HydrophobicContact CG2-CD2 3.93Å; I84-L130 HydrophobicContact CG2-CG 4.44Å
85L84.4Confident86Confident97 Ų9762.4 Ų62.451%0.50832%0.32SS..Hα-helixtrans-70.3-36.6-178.6-162.7132.9000112.1L31 I34 C81 V82 L83 R87L31-L85 HydrophobicContact CD1-CD1 4.22Å; L31-L85 HydrophobicContact CG-CD1 4.45Å; I34-L85 HydrophobicContact CD1-CB 4.27Å; I34-L85 HydrophobicContact CD1-CD1 4.14Å; C81-L85 WeakPolarHBondContact O-CB 3.29Å; C81-L85 PolarHBondContact O-N 3.32Å; V82-L85 PolarHBondContact O-N 3.35Å; L83-L85 PolarHBondContact O-N 3.4Å; L85-R87 PolarHBondContact O-N 3.33Å
86S83.3Confident85.9Confident60 Ų6060.6 Ų60.642%0.4232%0.317SS..THydrogen-bonded Turntrans-73.3-3.8174.9-54.90000113.2V82 L83 H88V82-S86 WeakPolarHBondContact O-CB 3.31Å; V82-S86 PolarHBondContact O-N 3.07Å; V82-S86 PolarHBondContact O-OG 3.46Å; L83-S86 PolarHBondContact O-N 3.24Å; S86-H88 PolarHBondContact O-CD2 2.9Å; S86-H88 PolarHBondContact O-N 3Å
87R75.5Confident85.9Confident109 Ų10959.4 Ų59.441%0.41131%0.305SS..THydrogen-bonded Turntrans57.312.9-178.3-61.6-175.2159.2-172.9-6.1115H27 R30 L83 I84 L85H27-R87 PolarHBondContact CE1-NE 3.22Å; H27-R87 VanDerWaalsContact CE1-NE 3.25Å; H27-R87 PolarHBondContact CE1-NH2 3.25Å; H27-R87 VanDerWaalsContact NE2-CZ 3.29Å; H27-R87 PolarHBondContact NE2-NH2 3.17Å; R30-R87 VanDerWaalsContact NH1-NE 3.14Å; L83-R87 PolarHBondContact O-N 3.39Å; L83-R87 VanDerWaalsContact O-N 3.17Å; I84-R87 PolarHBondContact O-N 3.04Å; L85-R87 PolarHBondContact O-N 3.33Å
88H73.2Confident85.8Confident123 Ų12362.1 Ų62.157%0.56932%0.317SS*.SBendtrans-96.9130.7176-73.5-73.6000109.2L83 S86 V90L83-H88 PolarHBondContact O-N 2.9Å; S86-H88 PolarHBondContact O-CD2 2.9Å; S86-H88 PolarHBondContact O-N 3Å; H88-V90 VanDerWaalsContact C-N 3.25Å; H88-V90 PolarHBondContact O-N 3.32Å; H88-V90 VanDerWaalsContact O-N 3.16Å
89F79.9Confident85.8Confident142 Ų14261.5 Ų61.562%0.62332%0.323SS*.SBendtrans55.334.7173.3-60.3-68.6000115Q91 Y92 A93F89-Q91 PolarHBondContact O-N 2.82Å; F89-Q91 VanDerWaalsContact O-N 3.11Å; F89-Y92 HydrophobicContact CB-CD2 3.89Å; F89-Y92 AromaticContact CD1-CD2 3.72Å; F89-Y92 HydrophobicContact CD1-CD2 3.72Å; F89-Y92 AromaticContact CD1-CE2 3.82Å; F89-Y92 HydrophobicContact CD1-CE2 3.82Å; F89-Y92 HydrophobicContact CG-CD2 4.24Å; F89-Y92 PolarHBondContact O-N 3.48Å; F89-A93 PolarHBondContact O-N 3.39Å
90V80.1Confident85.7Confident18 Ų1860.5 Ų60.511%0.10931%0.31CS..Hα-helixtrans-51.2-40.3-176.3-179.40000112.7I84 H88 Y92 A93 C94 L130I84-V90 HydrophobicContact CG1-CG1 4.45Å; H88-V90 VanDerWaalsContact C-N 3.25Å; H88-V90 PolarHBondContact O-N 3.32Å; H88-V90 VanDerWaalsContact O-N 3.16Å; V90-Y92 PolarHBondContact O-N 2.91Å; V90-A93 PolarHBondContact O-N 2.87Å; V90-C94 PolarHBondContact O-N 3.48Å; V90-C94 PolarHBondContact O-SG 3.41Å; V90-C94 VanDerWaalsContact O-SG 3.37Å; V90-L130 HydrophobicContact CG1-CD2 3.28Å
91Q83.8Confident85.7Confident89 Ų8960.9 Ų60.942%0.41631%0.311SS..Hα-helixtrans-61.8-45.9178.6-68.6178.9-19.400112.4F89 A93 C94 F95 L131F89-Q91 PolarHBondContact O-N 2.82Å; F89-Q91 VanDerWaalsContact O-N 3.11Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; Q91-C94 PolarHBondContact O-N 3.49Å; Q91-F95 WeakPolarHBondContact O-CD2 3.45Å; Q91-F95 PolarHBondContact O-N 2.92Å; Q91-L131 HydrophobicContact CB-CD1 4.39Å; Q91-L131 HydrophobicContact CG-CD1 4.25Å
92Y86.8Confident85.6Confident170 Ų17063.4 Ų63.467%0.66733%0.331SS*.Hα-helixtrans-66.4-38.2177.9-62-74.2000111.4F89 V90 F95 G96F89-Y92 HydrophobicContact CB-CD2 3.89Å; F89-Y92 AromaticContact CD1-CD2 3.72Å; F89-Y92 HydrophobicContact CD1-CD2 3.72Å; F89-Y92 AromaticContact CD1-CE2 3.82Å; F89-Y92 HydrophobicContact CD1-CE2 3.82Å; F89-Y92 HydrophobicContact CG-CD2 4.24Å; F89-Y92 PolarHBondContact O-N 3.48Å; V90-Y92 PolarHBondContact O-N 2.91Å; Y92-F95 PolarHBondContact O-N 3.37Å; Y92-G96 PolarHBondContact O-N 3.3Å
93A87.4Confident85.4Confident5 Ų561.9 Ų61.94%0.04132%0.32CS..Hα-helixtrans-62.7-43.4174.400000111.9L83 I84 F89 V90 Q91 G96 L97L83-A93 HydrophobicContact CB-CB 3.8Å; L83-A93 HydrophobicContact CD1-CB 4.3Å; I84-A93 HydrophobicContact CD1-CB 4.38Å; I84-A93 HydrophobicContact CG1-CB 3.8Å; F89-A93 PolarHBondContact O-N 3.39Å; V90-A93 PolarHBondContact O-N 2.87Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; A93-G96 PolarHBondContact O-N 2.83Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.48Å
94C86.6Confident85.1Confident1 Ų159 Ų591%0.00731%0.305CS..Hα-helixtrans-60.4-46.8174.7-73.40000112.1V90 Q91 G96 L97 F98 L131V90-C94 PolarHBondContact O-N 3.48Å; V90-C94 PolarHBondContact O-SG 3.41Å; V90-C94 VanDerWaalsContact O-SG 3.37Å; Q91-C94 PolarHBondContact O-N 3.49Å; C94-G96 VanDerWaalsContact C-N 3.34Å; C94-G96 PolarHBondContact O-N 3.29Å; C94-L97 PolarHBondContact O-N 2.83Å; C94-F98 VanDerWaalsContact O-CD2 3.28Å; C94-F98 WeakPolarHBondContact O-CD2 3.44Å; C94-F98 PolarHBondContact O-N 3.23Å; C94-L131 HydrophobicContact CB-CB 4.43Å; C94-L131 HydrophobicContact CB-CD1 3.88Å
95F88.9Confident84.9Confident134 Ų13460 Ų6059%0.58831%0.311SS*.Hα-helixtrans-63.7-39.3176.9-77.2-64.1000112.4Q91 Y92 F98 G99 L131Q91-F95 WeakPolarHBondContact O-CD2 3.45Å; Q91-F95 PolarHBondContact O-N 2.92Å; Y92-F95 PolarHBondContact O-N 3.37Å; F95-F98 WeakPolarHBondContact O-CB 3.42Å; F95-F98 PolarHBondContact O-N 3.47Å; F95-G99 PolarHBondContact O-N 3.45Å; F95-L131 HydrophobicContact CE2-CD1 4.35Å
96G89.5Confident84.8Confident39 Ų3959.9 Ų59.940%0.40231%0.314SS..Hα-helixtrans-60.5-48.1173.800000112.3Y92 A93 C94 F98 G99 I100Y92-G96 PolarHBondContact O-N 3.3Å; A93-G96 PolarHBondContact O-N 2.83Å; C94-G96 VanDerWaalsContact C-N 3.34Å; C94-G96 PolarHBondContact O-N 3.29Å; G96-F98 VanDerWaalsContact C-N 3.34Å; G96-F98 PolarHBondContact O-N 2.88Å; G96-G99 WeakPolarHBondContact O-CA 3.36Å; G96-G99 PolarHBondContact O-N 3.31Å; G96-G99 VanDerWaalsContact O-N 3.12Å; G96-I100 WeakPolarHBondContact O-CG1 3.25Å; G96-I100 PolarHBondContact O-N 3.27Å
97L89.4Confident84.5Confident2 Ų257 Ų571%0.0129%0.294CS..Hα-helixtrans-64-37.1177.2-69.7173.4000112.2F37 I84 A93 C94 G99 I100 I101 L127F37-L97 HydrophobicContact CD1-CD2 4.23Å; I84-L97 HydrophobicContact CD1-CD1 3.45Å; I84-L97 VanDerWaalsContact CD1-CD1 3.45Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.48Å; C94-L97 PolarHBondContact O-N 2.83Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.02Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 PolarHBondContact O-N 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.24Å; L97-I101 PolarHBondContact O-N 3.44Å; L97-L127 HydrophobicContact CB-CD1 3.62Å; L97-L127 HydrophobicContact CB-CD2 4.04Å; L97-L127 HydrophobicContact CD1-CD2 3.64Å
98F89.9Confident84.4Confident57 Ų5753.6 Ų53.625%0.2528%0.281CS..Hα-helixtrans-58.9-44.9170.2-95.2-65.9000112.4C94 F95 G96 I100 I101 A102 G124 L127 L128C94-F98 VanDerWaalsContact O-CD2 3.28Å; C94-F98 WeakPolarHBondContact O-CD2 3.44Å; C94-F98 PolarHBondContact O-N 3.23Å; F95-F98 WeakPolarHBondContact O-CB 3.42Å; F95-F98 PolarHBondContact O-N 3.47Å; G96-F98 VanDerWaalsContact C-N 3.34Å; G96-F98 PolarHBondContact O-N 2.88Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 3.07Å; F98-I101 PolarHBondContact O-N 3.08Å; F98-A102 WeakPolarHBondContact O-CB 3.25Å; F98-A102 PolarHBondContact O-N 3.18Å; F98-G124 VanDerWaalsContact CZ-O 3.26Å; F98-G124 WeakPolarHBondContact CZ-O 3.24Å; F98-L127 HydrophobicContact CD2-CB 4.21Å; F98-L127 HydrophobicContact CD2-CD1 4.17Å; F98-L127 HydrophobicContact CE2-CB 3.48Å; F98-L127 VanDerWaalsContact CE2-CB 3.48Å; F98-L127 HydrophobicContact CE2-CD1 4.18Å; F98-L127 HydrophobicContact CG-CD1 4.37Å; F98-L127 HydrophobicContact CZ-CB 3.68Å; F98-L127 HydrophobicContact CZ-CD1 4.36Å; F98-L128 HydrophobicContact CE2-CD2 4.19Å; F98-L128 HydrophobicContact CE2-CG 4.34Å; F98-L128 HydrophobicContact CZ-CD2 3.97Å; F98-L128 HydrophobicContact CZ-CG 3.75Å
99G89.3Confident84.1Confident40 Ų4050.9 Ų50.941%0.41228%0.276SS..Hα-helixtrans-59-40.117500000112.1F95 G96 L97 A102 L103F95-G99 PolarHBondContact O-N 3.45Å; G96-G99 WeakPolarHBondContact O-CA 3.36Å; G96-G99 PolarHBondContact O-N 3.31Å; G96-G99 VanDerWaalsContact O-N 3.12Å; L97-G99 VanDerWaalsContact C-N 3.34Å; L97-G99 PolarHBondContact O-N 3.02Å; G99-A102 PolarHBondContact O-N 2.97Å; G99-L103 VanDerWaalsContact O-CB 3.23Å; G99-L103 WeakPolarHBondContact O-CB 3.46Å; G99-L103 PolarHBondContact O-N 3.36Å
100I89.9Confident83.2Confident12 Ų1244.7 Ų44.76%0.06225%0.249CC..Hα-helixtrans-66.9-44.9176.9-66.2169.9000111.6G76 Q77 G96 L97 F98 A102 L103 Q104G76-I100 VanDerWaalsContact CA-CD1 3.41Å; Q77-I100 HydrophobicContact CG-CD1 4.23Å; Q77-I100 HydrophobicContact CG-CG2 3.86Å; G96-I100 WeakPolarHBondContact O-CG1 3.25Å; G96-I100 PolarHBondContact O-N 3.27Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 PolarHBondContact O-N 3.28Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 3.07Å; I100-A102 VanDerWaalsContact C-N 3.3Å; I100-A102 PolarHBondContact O-N 3Å; I100-L103 PolarHBondContact O-N 3.49Å; I100-Q104 HydrophobicContact CG2-CG 4.28Å; I100-Q104 WeakPolarHBondContact O-CB 3.38Å; I100-Q104 VanDerWaalsContact O-CG 3.31Å; I100-Q104 WeakPolarHBondContact O-CG 3.23Å; I100-Q104 PolarHBondContact O-N 3.04Å
101I87.9Confident82.2Confident13 Ų1349.3 Ų49.37%0.06727%0.272CS..Hα-helixtrans-59.7-44176.2-65.4168.4000110.6F37 L97 F98 Q104 T105 N120 L123 L127F37-I101 HydrophobicContact CE1-CD1 3.77Å; F37-I101 HydrophobicContact CE1-CG1 3.9Å; F37-I101 HydrophobicContact CZ-CD1 3.78Å; F37-I101 HydrophobicContact CZ-CG1 4.42Å; L97-I101 WeakPolarHBondContact O-CG1 3.24Å; L97-I101 PolarHBondContact O-N 3.44Å; F98-I101 PolarHBondContact O-N 3.08Å; I101-Q104 PolarHBondContact O-N 2.93Å; I101-T105 WeakPolarHBondContact O-CB 3.49Å; I101-T105 PolarHBondContact O-N 2.91Å; I101-T105 PolarHBondContact O-OG1 3.14Å; I101-N120 HydrophobicContact CG2-CB 3.91Å; I101-L123 HydrophobicContact CD1-CB 3.96Å; I101-L127 HydrophobicContact CD1-CD1 3.6Å
102A87Confident81.2Confident56 Ų5656.3 Ų56.346%0.46330%0.295SS..Hα-helixtrans-62-45.9177.500000111F98 G99 I100 Q104 T105 V106F98-A102 WeakPolarHBondContact O-CB 3.25Å; F98-A102 PolarHBondContact O-N 3.18Å; G99-A102 PolarHBondContact O-N 2.97Å; I100-A102 VanDerWaalsContact C-N 3.3Å; I100-A102 PolarHBondContact O-N 3Å; A102-Q104 PolarHBondContact O-N 3.43Å; A102-T105 WeakPolarHBondContact O-CB 3.42Å; A102-T105 PolarHBondContact O-N 3.49Å; A102-V106 PolarHBondContact O-N 3.14Å; A102-V106 VanDerWaalsContact O-N 3.15Å
103L85.6Confident80.4Confident60 Ų6051.8 Ų51.831%0.31428%0.283SS..Hα-helixtrans-61.3-43.8177.3-176.967.2000111.9F69 L72 G99 I100 V106 A107F69-L103 HydrophobicContact CD2-CD2 4.24Å; F69-L103 HydrophobicContact CD2-CG 4.39Å; F69-L103 HydrophobicContact CE2-CD1 3.74Å; F69-L103 HydrophobicContact CE2-CD2 3.66Å; F69-L103 HydrophobicContact CE2-CG 3.43Å; F69-L103 VanDerWaalsContact CE2-CG 3.43Å; F69-L103 HydrophobicContact CZ-CD2 4.23Å; F69-L103 HydrophobicContact CZ-CG 3.93Å; L72-L103 HydrophobicContact CD2-CD2 3.82Å; G99-L103 VanDerWaalsContact O-CB 3.23Å; G99-L103 WeakPolarHBondContact O-CB 3.46Å; G99-L103 PolarHBondContact O-N 3.36Å; I100-L103 PolarHBondContact O-N 3.49Å; L103-V106 PolarHBondContact O-N 3.35Å; L103-A107 VanDerWaalsContact O-CB 3.25Å; L103-A107 WeakPolarHBondContact O-CB 3.48Å; L103-A107 PolarHBondContact O-N 2.65Å
104Q82.3Confident79.4Confident11 Ų1157.6 Ų57.65%0.05131%0.312CS..Hα-helixtrans-61.3-44.2174.1-73.8-180-30.700111.5D40 N73 I100 I101 A102 V106 A107 Y108D40-Q104 PolarHBondContact OD2-NE2 3.49Å; D40-Q104 VanDerWaalsContact OD2-NE2 3.08Å; N73-Q104 WeakPolarHBondContact ND2-CG 3.4Å; N73-Q104 PolarHBondContact OD1-NE2 3.4Å; I100-Q104 HydrophobicContact CG2-CG 4.28Å; I100-Q104 WeakPolarHBondContact O-CB 3.38Å; I100-Q104 VanDerWaalsContact O-CG 3.31Å; I100-Q104 WeakPolarHBondContact O-CG 3.23Å; I100-Q104 PolarHBondContact O-N 3.04Å; I101-Q104 PolarHBondContact O-N 2.93Å; A102-Q104 PolarHBondContact O-N 3.43Å; Q104-V106 PolarHBondContact O-N 3.34Å; Q104-A107 PolarHBondContact O-N 2.93Å; Q104-Y108 HydrophobicContact CB-CD2 4.22Å; Q104-Y108 HydrophobicContact CG-CE2 4.34Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.28Å; Q104-Y108 PolarHBondContact O-N 3.22Å
105T82.1Confident78.4Confident22 Ų2265.7 Ų65.714%0.13535%0.347CS..Hα-helixtrans-58.6-39.5-178.7-58.30000111.4I101 A102 I110 L111 N120I101-T105 WeakPolarHBondContact O-CB 3.49Å; I101-T105 PolarHBondContact O-N 2.91Å; I101-T105 PolarHBondContact O-OG1 3.14Å; A102-T105 WeakPolarHBondContact O-CB 3.42Å; A102-T105 PolarHBondContact O-N 3.49Å; T105-I110 PolarHBondContact O-N 3.22Å; T105-L111 HydrophobicContact CG2-CD2 3.78Å; T105-L111 HydrophobicContact CG2-CG 4.2Å; T105-N120 PolarHBondContact OG1-ND2 3.5Å
106V81.4Confident77.4Confident94 Ų9463.2 Ų63.257%0.5734%0.336SS*.Hα-helixtrans-75-47.7175.4177.80000111.5W59 A102 L103 Q104 Y108 S109W59-V106 HydrophobicContact CZ2-CG1 4.37Å; A102-V106 PolarHBondContact O-N 3.14Å; A102-V106 VanDerWaalsContact O-N 3.15Å; L103-V106 PolarHBondContact O-N 3.35Å; Q104-V106 PolarHBondContact O-N 3.34Å; V106-Y108 PolarHBondContact O-N 2.91Å; V106-S109 PolarHBondContact O-N 3.27Å
107A77.4Confident76.5Confident0 Ų064.9 Ų64.90%034%0.335CS..Hα-helixtrans-64.3-44.8-172.500000113.9I55 W59 F69 L103 Q104 S109I55-A107 HydrophobicContact CD1-CB 4.17Å; W59-A107 HydrophobicContact CZ2-CB 4.02Å; W59-A107 PolarHBondContact NE1-O 3.41Å; F69-A107 HydrophobicContact CD2-CB 4.48Å; F69-A107 HydrophobicContact CE1-CB 3.8Å; F69-A107 HydrophobicContact CE2-CB 3.45Å; F69-A107 VanDerWaalsContact CE2-CB 3.45Å; F69-A107 HydrophobicContact CZ-CB 3.07Å; L103-A107 VanDerWaalsContact O-CB 3.25Å; L103-A107 WeakPolarHBondContact O-CB 3.48Å; L103-A107 PolarHBondContact O-N 2.65Å; Q104-A107 PolarHBondContact O-N 2.93Å; A107-S109 PolarHBondContact O-N 3.43Å
108Y73.9Confident75.6Confident38 Ų3869 Ų6915%0.14936%0.355CS..THydrogen-bonded Turntrans-85.68.4-179.3-68.1-89.1000112.8M44 Q51 Y54 I55 F69 Q104 V106 I110M44-Y108 VanDerWaalsContact CE-OH 3.31Å; M44-Y108 WeakPolarHBondContact CE-OH 3.34Å; Q51-Y108 PolarHBondContact OE1-OH 3.2Å; Y54-Y108 AromaticContact CD1-CD1 3.63Å; Y54-Y108 HydrophobicContact CD1-CD1 3.63Å; Y54-Y108 AromaticContact CD1-CE1 3.71Å; Y54-Y108 HydrophobicContact CD1-CE1 3.71Å; Y54-Y108 AromaticContact CE1-CD1 3.32Å; Y54-Y108 HydrophobicContact CE1-CD1 3.32Å; Y54-Y108 AromaticContact CE1-CE1 3.92Å; Y54-Y108 HydrophobicContact CE1-CE1 3.92Å; Y54-Y108 HydrophobicContact CE1-CG 4.24Å; I55-Y108 HydrophobicContact CD1-CD1 4.26Å; I55-Y108 HydrophobicContact CD1-CD2 4.5Å; I55-Y108 HydrophobicContact CD1-CE1 3.95Å; I55-Y108 HydrophobicContact CD1-CE2 4.22Å; I55-Y108 HydrophobicContact CG1-CE1 4.47Å; F69-Y108 AromaticContact CE1-CE2 4Å; F69-Y108 HydrophobicContact CE1-CE2 4Å; Q104-Y108 HydrophobicContact CB-CD2 4.22Å; Q104-Y108 HydrophobicContact CG-CE2 4.34Å; Q104-Y108 WeakPolarHBondContact O-CD2 3.28Å; Q104-Y108 PolarHBondContact O-N 3.22Å; V106-Y108 PolarHBondContact O-N 2.91Å; Y108-I110 HydrophobicContact CD2-CD1 4.49Å; Y108-I110 HydrophobicContact CG-CD1 4.3Å; Y108-I110 PolarHBondContact O-N 3.44Å
109S67.3Low74.8Confident65 Ų6567 Ų6746%0.45535%0.346SS..THydrogen-bonded Turntrans48.935.4-176.2-62.20000113.2V106 A107 L111V106-S109 PolarHBondContact O-N 3.27Å; A107-S109 PolarHBondContact O-N 3.43Å; S109-L111 PolarHBondContact O-N 3.42Å; S109-L111 VanDerWaalsContact O-N 3.1Å
110I61.4Low74.2Confident12 Ų1265.6 Ų65.66%0.06233%0.329CS..G310 helixtrans-64.9-17.8-170.4-80.1164.5000112.9T105 Y108 W112 D113 F116T105-I110 PolarHBondContact O-N 3.22Å; Y108-I110 HydrophobicContact CD2-CD1 4.49Å; Y108-I110 HydrophobicContact CG-CD1 4.3Å; Y108-I110 PolarHBondContact O-N 3.44Å; I110-W112 PolarHBondContact O-N 3.32Å; I110-D113 PolarHBondContact O-N 3.06Å; I110-F116 HydrophobicContact CD1-CD1 3.9Å; I110-F116 HydrophobicContact CG1-CB 4.21Å; I110-F116 HydrophobicContact CG1-CD1 4.2Å; I110-F116 HydrophobicContact CG1-CG 4.41Å; I110-F116 HydrophobicContact CG2-CB 3.72Å
111L59.4Low73.6Confident115 Ų11569.8 Ų69.860%0.60235%0.351SS*.G310 helixtrans-54.1-20.7-176.9-67.3174.3000114T105 S109T105-L111 HydrophobicContact CG2-CD2 3.78Å; T105-L111 HydrophobicContact CG2-CG 4.2Å; S109-L111 PolarHBondContact O-N 3.42Å; S109-L111 VanDerWaalsContact O-N 3.1Å
112W61Low73Confident236 Ų23669.4 Ų69.489%0.89435%0.35SS*.G310 helixtrans-98.6-9.9179.8-60.2106.4000114.8I110I110-W112 PolarHBondContact O-N 3.32Å
113D70.6Confident72.7Confident75 Ų7567 Ų6740%0.40133%0.329SS..  trans-101.6103173.5-171.8-21.4000110.2I110 K115 F116 L117I110-D113 PolarHBondContact O-N 3.06Å; D113-K115 PolarHBondContact O-N 3.3Å; D113-K115 WeakPolarHBondContact OD1-CB 3.26Å; D113-K115 PolarHBondContact OD1-N 3.01Å; D113-F116 HydrophobicContact CB-CB 4.11Å; D113-F116 PolarHBondContact O-N 2.95Å; D113-F116 PolarHBondContact OD1-N 2.83Å; D113-L117 WeakPolarHBondContact O-CB 3.35Å; D113-L117 PolarHBondContact O-N 3.48Å
114I66.3Low72.6Confident127 Ų12764.6 Ų64.665%0.65132%0.319SS*.Hα-helixtrans-57.5-35.5-178.5-60.5173.5000111.3L117 M118I114-L117 PolarHBondContact O-N 3.25Å; I114-M118 HydrophobicContact CG2-CG 4.45Å; I114-M118 WeakPolarHBondContact O-CB 3.39Å; I114-M118 WeakPolarHBondContact O-CG 3.47Å; I114-M118 PolarHBondContact O-N 3.36Å
115K65.7Low72.5Confident172 Ų17264.1 Ų64.175%0.74832%0.317SS*.Hα-helixtrans-68.5-44.7-179.9-69.9-175.6177.6-176.40110.9D113 M118 R119D113-K115 PolarHBondContact O-N 3.3Å; D113-K115 WeakPolarHBondContact OD1-CB 3.26Å; D113-K115 PolarHBondContact OD1-N 3.01Å; K115-M118 PolarHBondContact O-N 2.94Å; K115-R119 PolarHBondContact O-N 3.04Å; K115-R119 VanDerWaalsContact O-N 3.13Å
116F67.6Low72.4Confident82 Ų8263.3 Ų63.336%0.3631%0.313SS..Hα-helixtrans-69.6-33.4176.9-104.1-86.2000112.9I110 D113 R119 N120I110-F116 HydrophobicContact CD1-CD1 3.9Å; I110-F116 HydrophobicContact CG1-CB 4.21Å; I110-F116 HydrophobicContact CG1-CD1 4.2Å; I110-F116 HydrophobicContact CG1-CG 4.41Å; I110-F116 HydrophobicContact CG2-CB 3.72Å; D113-F116 HydrophobicContact CB-CB 4.11Å; D113-F116 PolarHBondContact O-N 2.95Å; D113-F116 PolarHBondContact OD1-N 2.83Å; F116-R119 WeakPolarHBondContact O-CB 3.48Å; F116-R119 PolarHBondContact O-N 3.3Å; F116-N120 PolarHBondContact O-N 2.91Å; F116-N120 VanDerWaalsContact O-N 3.08Å
117L71.6Confident72.5Confident73 Ų7359 Ų5938%0.38229%0.287SS..Hα-helixtrans-63.1-45.1173.5-176.768.3000111.4D113 I114 R119 N120 L121D113-L117 WeakPolarHBondContact O-CB 3.35Å; D113-L117 PolarHBondContact O-N 3.48Å; I114-L117 PolarHBondContact O-N 3.25Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.37Å; L117-N120 PolarHBondContact O-N 3.43Å; L117-L121 WeakPolarHBondContact O-CB 3.38Å; L117-L121 PolarHBondContact O-N 3.5Å
118M70.8Confident72.7Confident89 Ų8962.7 Ų62.744%0.43831%0.306SS..Hα-helixtrans-60.9-39.4176.6-73.3-64.5-161.700111.9I114 K115 L121 A122 T171I114-M118 HydrophobicContact CG2-CG 4.45Å; I114-M118 WeakPolarHBondContact O-CB 3.39Å; I114-M118 WeakPolarHBondContact O-CG 3.47Å; I114-M118 PolarHBondContact O-N 3.36Å; K115-M118 PolarHBondContact O-N 2.94Å; M118-L121 PolarHBondContact O-N 3.44Å; M118-A122 WeakPolarHBondContact O-CB 3.49Å; M118-A122 PolarHBondContact O-N 3.38Å; M118-T171 HydrophobicContact CB-CG2 3.87Å; M118-T171 HydrophobicContact CG-CG2 4.38Å; M118-T171 HydrophobicContact SD-CG2 3.99Å
119R71.9Confident72.9Confident15 Ų1561.3 Ų61.36%0.05730%0.302CS..Hα-helixtrans-56.6-51.9171.7164.3172.5-174.715910.7112.2K115 F116 L117 L121 A122 L123 Y237K115-R119 PolarHBondContact O-N 3.04Å; K115-R119 VanDerWaalsContact O-N 3.13Å; F116-R119 WeakPolarHBondContact O-CB 3.48Å; F116-R119 PolarHBondContact O-N 3.3Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.37Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 2.91Å; R119-A122 PolarHBondContact O-N 2.82Å; R119-L123 HydrophobicContact CG-CD1 4.13Å; R119-L123 WeakPolarHBondContact O-CG 3.35Å; R119-L123 PolarHBondContact O-N 3.12Å; R119-Y237 WeakPolarHBondContact CA-OH 3.4Å; R119-Y237 HydrophobicContact CB-CE1 4.45Å; R119-Y237 HydrophobicContact CB-CE2 4.41Å; R119-Y237 WeakPolarHBondContact CB-OH 3.29Å; R119-Y237 HydrophobicContact CG-CE1 4.49Å; R119-Y237 HydrophobicContact CG-CE2 3.63Å; R119-Y237 VanDerWaalsContact CG-CZ 3.47Å; R119-Y237 WeakPolarHBondContact CG-OH 3.46Å
120N77.6Confident73.5Confident10 Ų1058.3 Ų58.35%0.05328%0.281CS..Hα-helixtrans-66.3-35.5-178.4-73.9-2.4000112.1I101 T105 F116 L117 L123 G124I101-N120 HydrophobicContact CG2-CB 3.91Å; T105-N120 PolarHBondContact OG1-ND2 3.5Å; F116-N120 PolarHBondContact O-N 2.91Å; F116-N120 VanDerWaalsContact O-N 3.08Å; L117-N120 PolarHBondContact O-N 3.43Å; N120-L123 PolarHBondContact O-N 3.01Å; N120-G124 PolarHBondContact O-N 3.49Å
121L76.8Confident74.4Confident100 Ų10059.5 Ų59.552%0.52429%0.287SS..Hα-helixtrans-64.7-42.3174.4-172.168.1000111.4L117 M118 R119 G124 G125L117-L121 WeakPolarHBondContact O-CB 3.38Å; L117-L121 PolarHBondContact O-N 3.5Å; M118-L121 PolarHBondContact O-N 3.44Å; R119-L121 VanDerWaalsContact C-N 3.31Å; R119-L121 PolarHBondContact O-N 2.91Å; L121-G124 PolarHBondContact O-N 3.38Å; L121-G125 PolarHBondContact O-N 3.49Å
122A75.8Confident75.2Confident5 Ų554.8 Ų54.84%0.04127%0.265CS..Hα-helixtrans-65-44.1176.700000111.8M118 R119 G124 G125 G126 M168 T171M118-A122 WeakPolarHBondContact O-CB 3.49Å; M118-A122 PolarHBondContact O-N 3.38Å; R119-A122 PolarHBondContact O-N 2.82Å; A122-G124 PolarHBondContact O-N 2.93Å; A122-G125 PolarHBondContact O-N 2.71Å; A122-G126 PolarHBondContact O-N 2.97Å; A122-M168 HydrophobicContact CB-CB 4.49Å; A122-M168 HydrophobicContact CB-CG 4.08Å; A122-M168 WeakPolarHBondContact O-CE 3.45Å; A122-T171 HydrophobicContact CB-CG2 4.48Å
123L80.2Confident75.8Confident6 Ų643.8 Ų43.83%0.03122%0.223CC..Hα-helixtrans-58.7-46173.8-73.6173.9000112.2T36 F37 I101 R119 N120 G125 G126 L127T36-L123 VanDerWaalsContact CB-CD2 3.48Å; T36-L123 HydrophobicContact CG2-CD2 3.5Å; T36-L123 VanDerWaalsContact CG2-CD2 3.5Å; T36-L123 HydrophobicContact CG2-CG 4.38Å; F37-L123 HydrophobicContact CD2-CD2 4.32Å; F37-L123 HydrophobicContact CE1-CB 4.28Å; F37-L123 HydrophobicContact CE1-CD1 4.37Å; F37-L123 HydrophobicContact CE1-CD2 4.15Å; F37-L123 HydrophobicContact CE2-CD2 3.92Å; F37-L123 HydrophobicContact CZ-CB 3.83Å; F37-L123 HydrophobicContact CZ-CD2 3.82Å; F37-L123 HydrophobicContact CZ-CG 4.32Å; I101-L123 HydrophobicContact CD1-CB 3.96Å; R119-L123 HydrophobicContact CG-CD1 4.13Å; R119-L123 WeakPolarHBondContact O-CG 3.35Å; R119-L123 PolarHBondContact O-N 3.12Å; N120-L123 PolarHBondContact O-N 3.01Å; L123-G125 VanDerWaalsContact C-N 3.33Å; L123-G125 PolarHBondContact O-N 3.45Å; L123-G126 PolarHBondContact O-N 2.99Å; L123-L127 WeakPolarHBondContact O-CG 3.11Å; L123-L127 PolarHBondContact O-N 2.94Å
124G83.1Confident75.9Confident9 Ų941.1 Ų41.19%0.09321%0.21CC..Hα-helixtrans-60.8-41.7173.700000112F98 N120 L121 A122 G126 L127 L128F98-G124 VanDerWaalsContact CZ-O 3.26Å; F98-G124 WeakPolarHBondContact CZ-O 3.24Å; N120-G124 PolarHBondContact O-N 3.49Å; L121-G124 PolarHBondContact O-N 3.38Å; A122-G124 PolarHBondContact O-N 2.93Å; G124-G126 PolarHBondContact O-N 3.36Å; G124-L127 PolarHBondContact O-N 3.05Å; G124-L128 PolarHBondContact O-N 2.9Å
125G80.2Confident76Confident2 Ų242.5 Ų42.52%0.02121%0.207CC..Hα-helixtrans-60.6-44.2175.200000113.4L121 A122 L123 L127 L128 L129L121-G125 PolarHBondContact O-N 3.49Å; A122-G125 PolarHBondContact O-N 2.71Å; L123-G125 VanDerWaalsContact C-N 3.33Å; L123-G125 PolarHBondContact O-N 3.45Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.47Å; G125-L128 PolarHBondContact O-N 2.94Å; G125-L129 WeakPolarHBondContact O-CG 3.34Å; G125-L129 PolarHBondContact O-N 2.9Å
126G80.6Confident75.8Confident5 Ų535.2 Ų35.25%0.05218%0.178CC..Hα-helixtrans-61.2-39.9174.400000113.1A122 L123 G124 L129 L130A122-G126 PolarHBondContact O-N 2.97Å; L123-G126 PolarHBondContact O-N 2.99Å; G124-G126 PolarHBondContact O-N 3.36Å; G126-L129 WeakPolarHBondContact O-CB 3.44Å; G126-L129 PolarHBondContact O-N 3.4Å; G126-L130 PolarHBondContact O-N 3.46Å; G126-L130 VanDerWaalsContact O-N 3.08Å
127L83.3Confident75.4Confident2 Ų235.2 Ų35.21%0.0118%0.179CC..Hα-helixtrans-68.8-39.7174.9-71.7175.7000113F37 I84 L97 F98 I101 L123 G124 G125 L129 L130 L131F37-L127 HydrophobicContact CE1-CD1 4.27Å; F37-L127 HydrophobicContact CE2-CD1 4.13Å; F37-L127 HydrophobicContact CE2-CD2 3.77Å; F37-L127 HydrophobicContact CE2-CG 3.76Å; F37-L127 HydrophobicContact CZ-CD1 3.51Å; F37-L127 HydrophobicContact CZ-CD2 4.02Å; F37-L127 HydrophobicContact CZ-CG 3.64Å; I84-L127 HydrophobicContact CD1-CD2 4.48Å; L97-L127 HydrophobicContact CB-CD1 3.62Å; L97-L127 HydrophobicContact CB-CD2 4.04Å; L97-L127 HydrophobicContact CD1-CD2 3.64Å; F98-L127 HydrophobicContact CD2-CB 4.21Å; F98-L127 HydrophobicContact CD2-CD1 4.17Å; F98-L127 HydrophobicContact CE2-CB 3.48Å; F98-L127 VanDerWaalsContact CE2-CB 3.48Å; F98-L127 HydrophobicContact CE2-CD1 4.18Å; F98-L127 HydrophobicContact CG-CD1 4.37Å; F98-L127 HydrophobicContact CZ-CB 3.68Å; F98-L127 HydrophobicContact CZ-CD1 4.36Å; I101-L127 HydrophobicContact CD1-CD1 3.6Å; L123-L127 WeakPolarHBondContact O-CG 3.11Å; L123-L127 PolarHBondContact O-N 2.94Å; G124-L127 PolarHBondContact O-N 3.05Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.47Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 2.95Å; L127-L130 PolarHBondContact O-N 3.43Å; L127-L131 WeakPolarHBondContact O-CB 3.34Å; L127-L131 PolarHBondContact O-N 3.26Å
128L81.3Confident74.4Confident78 Ų7834.3 Ų34.341%0.40819%0.187SC..Hα-helixtrans-61-41174.6-80177.6000111.1F98 G124 G125 L131 A132 L164F98-L128 HydrophobicContact CE2-CD2 4.19Å; F98-L128 HydrophobicContact CE2-CG 4.34Å; F98-L128 HydrophobicContact CZ-CD2 3.97Å; F98-L128 HydrophobicContact CZ-CG 3.75Å; G124-L128 PolarHBondContact O-N 2.9Å; G125-L128 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.03Å; L128-A132 VanDerWaalsContact O-CB 3.23Å; L128-A132 WeakPolarHBondContact O-CB 3.49Å; L128-A132 PolarHBondContact O-N 3.48Å; L128-L164 HydrophobicContact CB-CD1 3.69Å; L128-L164 HydrophobicContact CD1-CD1 3.76Å; L128-L164 HydrophobicContact CD1-CD2 4.32Å; L128-L164 HydrophobicContact CG-CD1 4.37Å
129L78.5Confident73.3Confident10 Ų1036.8 Ų36.85%0.05220%0.196CC..Hα-helixtrans-60-44.1174.1-80.9165.6000112.1G125 G126 L127 A132 E133 L165 M168G125-L129 WeakPolarHBondContact O-CG 3.34Å; G125-L129 PolarHBondContact O-N 2.9Å; G126-L129 WeakPolarHBondContact O-CB 3.44Å; G126-L129 PolarHBondContact O-N 3.4Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 2.95Å; L129-A132 WeakPolarHBondContact O-CB 3.5Å; L129-A132 PolarHBondContact O-N 3.33Å; L129-E133 PolarHBondContact O-N 2.84Å; L129-L165 HydrophobicContact CD1-CD2 3.51Å; L129-L165 HydrophobicContact CD1-CG 3.83Å; L129-M168 HydrophobicContact CD1-SD 4.13Å
130L79.6Confident72.1Confident2 Ų239.8 Ų39.81%0.0122%0.219CC..Hα-helixtrans-69.3-40.5179.1-155.7153.1000111.8R30 L33 I34 I84 V90 G126 L127 A132 E133 S134R30-L130 HydrophobicContact CG-CD1 4.29Å; L33-L130 HydrophobicContact CB-CD1 4.44Å; L33-L130 HydrophobicContact CD1-CD1 4.43Å; I34-L130 HydrophobicContact CG2-CD1 4.08Å; I84-L130 HydrophobicContact CD1-CD1 4.5Å; I84-L130 HydrophobicContact CG1-CD2 4.48Å; I84-L130 HydrophobicContact CG2-CD1 3.65Å; I84-L130 HydrophobicContact CG2-CD2 3.93Å; I84-L130 HydrophobicContact CG2-CG 4.44Å; V90-L130 HydrophobicContact CG1-CD2 3.28Å; G126-L130 PolarHBondContact O-N 3.46Å; G126-L130 VanDerWaalsContact O-N 3.08Å; L127-L130 PolarHBondContact O-N 3.43Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 3.49Å; L130-E133 PolarHBondContact O-N 3.31Å; L130-S134 PolarHBondContact O-N 2.86Å
131L80.8Confident70.3Confident36 Ų3647.7 Ų47.719%0.18826%0.258CS..Hα-helixtrans-60.8-44.8173.4-173.378.2000110.7Q91 C94 F95 L127 L128 E133 S134 R135Q91-L131 HydrophobicContact CB-CD1 4.39Å; Q91-L131 HydrophobicContact CG-CD1 4.25Å; C94-L131 HydrophobicContact CB-CB 4.43Å; C94-L131 HydrophobicContact CB-CD1 3.88Å; F95-L131 HydrophobicContact CE2-CD1 4.35Å; L127-L131 WeakPolarHBondContact O-CB 3.34Å; L127-L131 PolarHBondContact O-N 3.26Å; L128-L131 PolarHBondContact O-N 3.03Å; L131-E133 PolarHBondContact O-N 3.47Å; L131-S134 PolarHBondContact O-N 3.38Å; L131-S134 PolarHBondContact O-OG 2.97Å; L131-R135 PolarHBondContact O-N 3.09Å; L131-R135 VanDerWaalsContact O-N 3.11Å
132A75.3Confident68.5Low17 Ų1751.7 Ų51.714%0.1427%0.271CS..Hα-helixtrans-57.6-47.3176.100000112.1L128 L129 L130 R135 S136 M157L128-A132 VanDerWaalsContact O-CB 3.23Å; L128-A132 WeakPolarHBondContact O-CB 3.49Å; L128-A132 PolarHBondContact O-N 3.48Å; L129-A132 WeakPolarHBondContact O-CB 3.5Å; L129-A132 PolarHBondContact O-N 3.33Å; L130-A132 VanDerWaalsContact C-N 3.33Å; L130-A132 PolarHBondContact O-N 3.49Å; A132-R135 PolarHBondContact O-N 3.42Å; A132-S136 PolarHBondContact O-N 3.38Å; A132-S136 VanDerWaalsContact O-N 3.13Å; A132-M157 WeakPolarHBondContact CA-SD 3.28Å; A132-M157 HydrophobicContact CB-CE 3.99Å; A132-M157 HydrophobicContact CB-CG 3.33Å; A132-M157 HydrophobicContact CB-SD 3.59Å; A132-M157 VanDerWaalsContact CB-SD 3.59Å; A132-M157 WeakPolarHBondContact O-CE 3.41Å
133E75.3Confident66.9Low5 Ų556 Ų562%0.02331%0.306CS..Hα-helixtrans-57.5-51.4175.4-174.8-166.1-176.800111.5R30 L129 L130 L131 R135 S136 E137 L251 L255R30-E133 IonicContact CZ-OE1 2.84Å; R30-E133 IonicContact CZ-OE2 3.85Å; R30-E133 IonicContact NE-OE1 2.71Å; R30-E133 PolarHBondContact NE-OE1 2.99Å; R30-E133 IonicContact NE-OE2 3.6Å; R30-E133 PolarHBondContact NE-OE2 3.17Å; R30-E133 VanDerWaalsContact NH2-CD 3.27Å; R30-E133 IonicContact NH2-OE1 3.36Å; R30-E133 PolarHBondContact NH2-OE1 3.47Å; R30-E133 IonicContact NH2-OE2 3.75Å; L129-E133 PolarHBondContact O-N 2.84Å; L130-E133 PolarHBondContact O-N 3.31Å; L131-E133 PolarHBondContact O-N 3.47Å; E133-R135 PolarHBondContact O-N 3.04Å; E133-S136 WeakPolarHBondContact O-CB 3.39Å; E133-S136 PolarHBondContact O-N 2.93Å; E133-E137 PolarHBondContact O-N 3.34Å; E133-L251 HydrophobicContact CB-CD2 4.22Å; E133-L251 HydrophobicContact CG-CD1 4.15Å; E133-L251 WeakPolarHBondContact OE1-CD1 3.48Å; E133-L251 VanDerWaalsContact OE2-CD1 3.22Å; E133-L251 WeakPolarHBondContact OE2-CD1 3.29Å; E133-L255 HydrophobicContact CB-CD1 4.42Å; E133-L255 HydrophobicContact CG-CD1 4.22Å; E133-L255 HydrophobicContact CG-CD2 4.29Å
134S72.4Confident65.2Low18 Ų1859 Ų5913%0.12634%0.34CS..Hα-helixtrans-58.7-36-177.676.30000112.9L130 L131 G138L130-S134 PolarHBondContact O-N 2.86Å; L131-S134 PolarHBondContact O-N 3.38Å; L131-S134 PolarHBondContact O-OG 2.97Å; S134-G138 PolarHBondContact O-N 2.92Å; S134-G138 VanDerWaalsContact O-N 3.17Å
135R68.8Low63.2Low157 Ų15764.2 Ų64.259%0.59237%0.369SS*.Hα-helixtrans-75-28.8178.4-163173.4-172179.21.5112.4L131 A132 E133L131-R135 PolarHBondContact O-N 3.09Å; L131-R135 VanDerWaalsContact O-N 3.11Å; A132-R135 PolarHBondContact O-N 3.42Å; E133-R135 PolarHBondContact O-N 3.04Å
136S59.5Low61.3Low19 Ų1969.7 Ų69.713%0.13340%0.404CS..Hα-helixtrans-72.3-42.7174.4176.60000112A132 E133 K139 S140 K154A132-S136 PolarHBondContact O-N 3.38Å; A132-S136 VanDerWaalsContact O-N 3.13Å; E133-S136 WeakPolarHBondContact O-CB 3.39Å; E133-S136 PolarHBondContact O-N 2.93Å; S136-K139 PolarHBondContact O-N 3.47Å; S136-S140 PolarHBondContact O-N 3.47Å; S136-K154 VanDerWaalsContact OG-CE 3.23Å; S136-K154 WeakPolarHBondContact OG-CE 3.36Å
137E60.2Low59.4Low81 Ų8175.2 Ų75.238%0.37944%0.442SS..Hα-helixtrans-65-40.9176.1-71.7-173.3149.900111.9R30 E133 K139 S140R30-E137 IonicContact CZ-OE2 3.03Å; R30-E137 VanDerWaalsContact NH2-CD 3.28Å; R30-E137 IonicContact NH2-OE1 3.68Å; R30-E137 PolarHBondContact NH2-OE1 3.24Å; R30-E137 IonicContact NH2-OE2 3.43Å; R30-E137 PolarHBondContact NH2-OE2 3.43Å; E133-E137 PolarHBondContact O-N 3.34Å; E137-K139 PolarHBondContact O-N 3.24Å; E137-S140 PolarHBondContact O-N 3.23Å; E137-S140 PolarHBondContact O-OG 2.9Å
138G50.7Low57.2Low54 Ų5483.8 Ų83.856%0.55748%0.484SS*.Hα-helixtrans-62.6-25.817900000114.6S134S134-G138 PolarHBondContact O-N 2.92Å; S134-G138 VanDerWaalsContact O-N 3.17Å
139K48.5Very low55.5Low142 Ų14283.9 Ų83.962%0.61750%0.504SS*.Hα-helixtrans-86.7-21.1176.9-77.8-170.6174.2-170.70113.8S136 E137 M141S136-K139 PolarHBondContact O-N 3.47Å; E137-K139 PolarHBondContact O-N 3.24Å; K139-M141 VanDerWaalsContact C-N 3.28Å; K139-M141 PolarHBondContact O-N 2.99Å
140S45Very low53.6Low78 Ų7891.8 Ų91.855%0.54554%0.541SS..Hα-helixtrans-78.2-12.3178.773.60000113.6S136 E137 F142S136-S140 PolarHBondContact O-N 3.47Å; E137-S140 PolarHBondContact O-N 3.23Å; E137-S140 PolarHBondContact O-OG 2.9Å; S140-F142 PolarHBondContact O-N 2.82Å
141M40.3Very low52Low176 Ų17696 Ų9687%0.86757%0.571SS**THydrogen-bonded Turntrans-75.2-5.9174.9-70.4-108.1-72.700113.9K139K139-M141 VanDerWaalsContact C-N 3.28Å; K139-M141 PolarHBondContact O-N 2.99Å
142F39.4Very low50.8Low184 Ų18496 Ų9681%0.80757%0.574SS**THydrogen-bonded Turntrans-113.839.5178.2-152.4-96.3000111.8S140 G144S140-F142 PolarHBondContact O-N 2.82Å; F142-G144 PolarHBondContact O-N 3.24Å
143A42.6Very low49.9Very low94 Ų9499.5 Ų99.578%0.77760%0.595SS**THydrogen-bonded Turntrans-8889.5-175.400000111.8
144G43.4Very low49Very low71 Ų71104 Ų10473%0.73261%0.614SS**THydrogen-bonded Turntrans-144.5-3.4165.300000114.2F142F142-G144 PolarHBondContact O-N 3.24Å
145V40.9Very low48.5Very low118 Ų118105.8 Ų105.872%0.71562%0.621SS**SBendtrans-131.1123.6-178.7-159.40000109.3S147V145-S147 PolarHBondContact O-N 3.49Å; V145-S147 VanDerWaalsContact O-N 3.09Å
146P41.3Very low48.1Very low117 Ų117106 Ų10676%0.7662%0.623SS**  trans-72.1103.3176.128.4-29.6000108.6M148P146-M148 PolarHBondContact O-N 3.34Å; P146-M148 VanDerWaalsContact O-N 3.13Å
147S40Very low48.3Very low120 Ų120107.5 Ų107.584%0.83963%0.628SS**  trans-78.992.6167.864.40000108.7V145V145-S147 PolarHBondContact O-N 3.49Å; V145-S147 VanDerWaalsContact O-N 3.09Å
148M38.5Very low48.6Very low182 Ų182105.7 Ų105.790%0.89762%0.62SS**  trans-69.8140.6164.1-68.8-157.589.500110.1P146P146-M148 PolarHBondContact O-N 3.34Å; P146-M148 VanDerWaalsContact O-N 3.13Å
149G44.4Very low49.3Very low81 Ų81107 Ų10784%0.83561%0.614SS**SBendtrans98.721.2142.200000120.2
150E38.3Very low50.4Low176 Ų176101.7 Ų101.782%0.82260%0.599SS**SBendtrans-127.7129.2164.2-73.9-167.5159.700110.6S152E150-S152 VanDerWaalsContact O-CA 3.28Å; E150-S152 WeakPolarHBondContact O-CA 3.47Å; E150-S152 PolarHBondContact O-N 3Å
151S46.4Very low51.6Low90 Ų9098.2 Ų98.263%0.62958%0.575SS**  trans-44100.6173.638.70000109.9
152S55.7Low53.2Low36 Ų3690.6 Ų90.625%0.25254%0.537SS..  trans-70.5129.7-153.764.60000110.2E150 K154 Q155 Y156E150-S152 VanDerWaalsContact O-CA 3.28Å; E150-S152 WeakPolarHBondContact O-CA 3.47Å; E150-S152 PolarHBondContact O-N 3Å; S152-K154 PolarHBondContact O-N 3.47Å; S152-Q155 PolarHBondContact O-N 3.15Å; S152-Q155 VanDerWaalsContact OG-CG 3.23Å; S152-Q155 WeakPolarHBondContact OG-CG 3.36Å; S152-Q155 PolarHBondContact OG-N 2.83Å; S152-Q155 PolarHBondContact OG-OE1 3.43Å; S152-Y156 PolarHBondContact O-N 3.22Å
153P57.1Low54.9Low90 Ų9085.6 Ų85.658%0.58452%0.521SS*.Hα-helixtrans-55.4-2017216.9-28.3000112.1M157P153-M157 WeakPolarHBondContact O-CB 3.22Å; P153-M157 PolarHBondContact O-N 3.29Å
154K56.5Low56.3Low99 Ų9982.8 Ų82.843%0.4349%0.493SS..Hα-helixtrans-65.2-40.9172.1-167.6173.1176.3173.20113.3S136 S152 M157 Q158S136-K154 VanDerWaalsContact OG-CE 3.23Å; S136-K154 WeakPolarHBondContact OG-CE 3.36Å; S152-K154 PolarHBondContact O-N 3.47Å; K154-M157 PolarHBondContact O-N 2.99Å; K154-Q158 WeakPolarHBondContact O-CB 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.44Å; K154-Q158 PolarHBondContact O-N 3.06Å
155Q61Low57.8Low56 Ų5679.4 Ų79.426%0.26246%0.458SS..Hα-helixtrans-67.5-45.2176.6-81.4167.5-47.700111.9S152 M157 Q158 L159 G259 V260S152-Q155 PolarHBondContact O-N 3.15Å; S152-Q155 VanDerWaalsContact OG-CG 3.23Å; S152-Q155 WeakPolarHBondContact OG-CG 3.36Å; S152-Q155 PolarHBondContact OG-N 2.83Å; S152-Q155 PolarHBondContact OG-OE1 3.43Å; Q155-M157 VanDerWaalsContact C-N 3.29Å; Q155-M157 PolarHBondContact O-N 3.37Å; Q155-Q158 PolarHBondContact O-N 2.84Å; Q155-L159 WeakPolarHBondContact O-CB 3.4Å; Q155-L159 PolarHBondContact O-N 3.2Å; Q155-G259 PolarHBondContact NE2-O 3.06Å; Q155-V260 HydrophobicContact CB-CG2 3.64Å; Q155-V260 HydrophobicContact CG-CG2 3.61Å
156Y60.8Low59.6Low162 Ų16275.5 Ų75.564%0.63543%0.434SS*.Hα-helixtrans-62.4-37.9175.4-75.4-75.2000112.3S152 L159 G160S152-Y156 PolarHBondContact O-N 3.22Å; Y156-L159 PolarHBondContact O-N 2.94Å; Y156-G160 PolarHBondContact O-N 3.45Å
157M62.2Low61.1Low51 Ų5174 Ų7425%0.25142%0.42SS..Hα-helixtrans-70.2-35.2178.6-168.3177.371.700112.3A132 P153 K154 Q155 G161A132-M157 WeakPolarHBondContact CA-SD 3.28Å; A132-M157 HydrophobicContact CB-CE 3.99Å; A132-M157 HydrophobicContact CB-CG 3.33Å; A132-M157 HydrophobicContact CB-SD 3.59Å; A132-M157 VanDerWaalsContact CB-SD 3.59Å; A132-M157 WeakPolarHBondContact O-CE 3.41Å; P153-M157 WeakPolarHBondContact O-CB 3.22Å; P153-M157 PolarHBondContact O-N 3.29Å; K154-M157 PolarHBondContact O-N 2.99Å; Q155-M157 VanDerWaalsContact C-N 3.29Å; Q155-M157 PolarHBondContact O-N 3.37Å; M157-G161 PolarHBondContact O-N 3.16Å
158Q66.8Low62.7Low42 Ų4268.5 Ų68.520%0.19638%0.381CS..Hα-helixtrans-71.2-40.9172.5-75.2174.9-23.700112.5K154 Q155 G161 R162K154-Q158 WeakPolarHBondContact O-CB 3.26Å; K154-Q158 WeakPolarHBondContact O-CG 3.44Å; K154-Q158 PolarHBondContact O-N 3.06Å; Q155-Q158 PolarHBondContact O-N 2.84Å; Q158-G161 PolarHBondContact O-N 3.1Å; Q158-R162 PolarHBondContact O-N 3.01Å; Q158-R162 VanDerWaalsContact O-N 3.07Å
159L66.6Low64.6Low82 Ų8260.2 Ų60.243%0.42934%0.34SS..Hα-helixtrans-63.5-46.5174.5-165.4102.9000110.9Q155 Y156 G161 R162 V163 V260Q155-L159 WeakPolarHBondContact O-CB 3.4Å; Q155-L159 PolarHBondContact O-N 3.2Å; Y156-L159 PolarHBondContact O-N 2.94Å; L159-G161 VanDerWaalsContact C-N 3.25Å; L159-G161 PolarHBondContact O-N 3.44Å; L159-R162 PolarHBondContact O-N 3.43Å; L159-R162 VanDerWaalsContact O-N 3.09Å; L159-V163 WeakPolarHBondContact O-CG2 3.29Å; L159-V163 PolarHBondContact O-N 3.27Å; L159-V260 HydrophobicContact CD1-CG1 3.99Å
160G70.1Confident66Low30 Ų3061.8 Ų61.831%0.30933%0.327SS..Hα-helixtrans-58.8-37.9174.100000112.1Y156 V163 L164Y156-G160 PolarHBondContact O-N 3.45Å; G160-V163 PolarHBondContact O-N 2.84Å; G160-L164 WeakPolarHBondContact O-CB 3.45Å; G160-L164 WeakPolarHBondContact O-CG 3.19Å; G160-L164 PolarHBondContact O-N 2.85Å
161G71Confident67.6Low5 Ų555 Ų555%0.05230%0.298CS..Hα-helixtrans-59.9-44.5171.800000113.6M157 Q158 L159 L164 L165M157-G161 PolarHBondContact O-N 3.16Å; Q158-G161 PolarHBondContact O-N 3.1Å; L159-G161 VanDerWaalsContact C-N 3.25Å; L159-G161 PolarHBondContact O-N 3.44Å; G161-L164 PolarHBondContact O-N 3.23Å; G161-L165 WeakPolarHBondContact O-CG 3.39Å; G161-L165 PolarHBondContact O-N 3.36Å
162R74.3Confident68.7Low16 Ų1651.4 Ų51.46%0.0627%0.271CS..Hα-helixtrans-65.5-41.9175.9-67.5177.8180-165.2-4.3112.5Q158 L159 L164 L165 V166 T201 P257 S261Q158-R162 PolarHBondContact O-N 3.01Å; Q158-R162 VanDerWaalsContact O-N 3.07Å; L159-R162 PolarHBondContact O-N 3.43Å; L159-R162 VanDerWaalsContact O-N 3.09Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.15Å; R162-L165 WeakPolarHBondContact O-CB 3.29Å; R162-L165 PolarHBondContact O-N 3Å; R162-V166 VanDerWaalsContact O-CG2 3.29Å; R162-V166 WeakPolarHBondContact O-CG2 3.36Å; R162-V166 PolarHBondContact O-N 3.03Å; R162-T201 PolarHBondContact NH2-OG1 3.43Å; R162-P257 VanDerWaalsContact NH2-CA 3.32Å; R162-P257 PolarHBondContact NH2-O 3.06Å; R162-S261 PolarHBondContact NH1-OG 3.22Å; R162-S261 PolarHBondContact NH2-OG 2.9Å
163V75Confident69.2Low79 Ų7951 Ų5148%0.47927%0.266SS..Hα-helixtrans-61.2-43.6175.2174.60000110.3L159 G160 L165 V166 L167L159-V163 WeakPolarHBondContact O-CG2 3.29Å; L159-V163 PolarHBondContact O-N 3.27Å; G160-V163 PolarHBondContact O-N 2.84Å; V163-L165 PolarHBondContact O-N 2.94Å; V163-V166 WeakPolarHBondContact O-CB 3.39Å; V163-V166 PolarHBondContact O-N 2.92Å; V163-L167 HydrophobicContact CG1-CD1 4.42Å; V163-L167 WeakPolarHBondContact O-CG 3.42Å; V163-L167 PolarHBondContact O-N 3.12Å
164L72.4Confident69.6Low35 Ų3550 Ų5018%0.18325%0.254CS..Hα-helixtrans-61.1-41.3174.5-81.6164.9000112.3L128 G160 G161 R162 V166 L167 M168L128-L164 HydrophobicContact CB-CD1 3.69Å; L128-L164 HydrophobicContact CD1-CD1 3.76Å; L128-L164 HydrophobicContact CD1-CD2 4.32Å; L128-L164 HydrophobicContact CG-CD1 4.37Å; G160-L164 WeakPolarHBondContact O-CB 3.45Å; G160-L164 WeakPolarHBondContact O-CG 3.19Å; G160-L164 PolarHBondContact O-N 2.85Å; G161-L164 PolarHBondContact O-N 3.23Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.15Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 3.37Å; L164-L167 WeakPolarHBondContact O-CB 3.21Å; L164-L167 PolarHBondContact O-N 3.07Å; L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 3.29Å; L164-M168 PolarHBondContact O-N 2.75Å
165L74.6Confident69.8Low1 Ų154.2 Ų54.21%0.00527%0.272CS..Hα-helixtrans-62.5-40.1174.8-72.2175.1000112.8L129 G161 R162 V163 L167 M168 F169 L249 V252L129-L165 HydrophobicContact CD1-CD2 3.51Å; L129-L165 HydrophobicContact CD1-CG 3.83Å; G161-L165 WeakPolarHBondContact O-CG 3.39Å; G161-L165 PolarHBondContact O-N 3.36Å; R162-L165 WeakPolarHBondContact O-CB 3.29Å; R162-L165 PolarHBondContact O-N 3Å; V163-L165 PolarHBondContact O-N 2.94Å; L165-L167 VanDerWaalsContact C-N 3.31Å; L165-M168 HydrophobicContact CD2-SD 4.44Å; L165-M168 PolarHBondContact O-N 2.8Å; L165-F169 WeakPolarHBondContact O-CB 3.33Å; L165-F169 PolarHBondContact O-N 2.85Å; L165-L249 HydrophobicContact CD1-CD2 4.34Å; L165-V252 HydrophobicContact CD1-CB 4.19Å; L165-V252 HydrophobicContact CD1-CG2 3.36Å
166V78.1Confident70.1Confident35 Ų3556 Ų5621%0.21228%0.283CS..Hα-helixtrans-61.7-44.2175.1175.40000110.2R162 V163 L164 F169 M170 I192 A196R162-V166 VanDerWaalsContact O-CG2 3.29Å; R162-V166 WeakPolarHBondContact O-CG2 3.36Å; R162-V166 PolarHBondContact O-N 3.03Å; V163-V166 WeakPolarHBondContact O-CB 3.39Å; V163-V166 PolarHBondContact O-N 2.92Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 3.37Å; V166-F169 PolarHBondContact O-N 3.08Å; V166-M170 WeakPolarHBondContact O-CG 3.32Å; V166-M170 PolarHBondContact O-N 3.11Å; V166-I192 HydrophobicContact CB-CG1 4.37Å; V166-I192 HydrophobicContact CG2-CG1 3.93Å; V166-A196 HydrophobicContact CG2-CB 3.62Å
167L72.6Confident70.2Confident86 Ų8654 Ų5445%0.4529%0.29SS..Hα-helixtrans-62.9-43.5175.9-68.8174.3000111.6V163 L164 L165 F169 M170 T171V163-L167 HydrophobicContact CG1-CD1 4.42Å; V163-L167 WeakPolarHBondContact O-CG 3.42Å; V163-L167 PolarHBondContact O-N 3.12Å; L164-L167 WeakPolarHBondContact O-CB 3.21Å; L164-L167 PolarHBondContact O-N 3.07Å; L165-L167 VanDerWaalsContact C-N 3.31Å; L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 3.01Å; L167-M170 WeakPolarHBondContact O-CB 3.42Å; L167-M170 PolarHBondContact O-N 2.86Å; L167-T171 WeakPolarHBondContact O-CG2 3.23Å; L167-T171 PolarHBondContact O-N 3.06Å
168M75.2Confident71Confident4 Ų454 Ų542%0.0230%0.295CS..Hα-helixtrans-62-40.6175.2-69.3176.373.200111.5A122 L129 L164 L165 T171 V245A122-M168 HydrophobicContact CB-CB 4.49Å; A122-M168 HydrophobicContact CB-CG 4.08Å; A122-M168 WeakPolarHBondContact O-CE 3.45Å; L129-M168 HydrophobicContact CD1-SD 4.13Å; L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 3.29Å; L164-M168 PolarHBondContact O-N 2.75Å; L165-M168 HydrophobicContact CD2-SD 4.44Å; L165-M168 PolarHBondContact O-N 2.8Å; M168-T171 PolarHBondContact O-N 3.45Å; M168-T171 PolarHBondContact O-OG1 3.38Å; M168-V245 HydrophobicContact CB-CG2 3.95Å; M168-V245 HydrophobicContact CE-CG2 4.31Å
169F78.2Confident71.6Confident9 Ų960.1 Ų60.14%0.03932%0.321CS..Hα-helixtrans-66.6-39.7176.9-178.4-89.3000112.5L165 V166 L167 T171 L172 L173 G188 I192 L208 L212 V245L165-F169 WeakPolarHBondContact O-CB 3.33Å; L165-F169 PolarHBondContact O-N 2.85Å; V166-F169 PolarHBondContact O-N 3.08Å; L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 3.01Å; F169-T171 PolarHBondContact O-N 3.36Å; F169-T171 VanDerWaalsContact O-N 3.15Å; F169-L172 WeakPolarHBondContact O-CB 3.46Å; F169-L172 PolarHBondContact O-N 3.45Å; F169-L173 HydrophobicContact CE1-CD2 3.91Å; F169-L173 HydrophobicContact CE1-CG 4.44Å; F169-L173 HydrophobicContact CZ-CD2 4.45Å; F169-G188 VanDerWaalsContact CZ-C 3.45Å; F169-I192 HydrophobicContact CB-CD1 4.08Å; F169-I192 HydrophobicContact CB-CG1 3.94Å; F169-I192 HydrophobicContact CD1-CB 4.08Å; F169-I192 HydrophobicContact CD1-CG1 4.25Å; F169-I192 HydrophobicContact CD1-CG2 3.78Å; F169-I192 HydrophobicContact CE1-CB 4.48Å; F169-I192 HydrophobicContact CE1-CG2 4.11Å; F169-I192 HydrophobicContact CG-CB 4.2Å; F169-I192 HydrophobicContact CG-CD1 4.31Å; F169-I192 HydrophobicContact CG-CG1 4.03Å; F169-I192 HydrophobicContact CG-CG2 4.38Å; F169-L208 HydrophobicContact CE2-CD1 4.25Å; F169-L212 HydrophobicContact CD2-CD1 4.32Å; F169-L212 HydrophobicContact CE2-CD1 4.28Å; F169-L212 HydrophobicContact CE2-CD2 3.94Å; F169-L212 HydrophobicContact CE2-CG 4.47Å; F169-V245 HydrophobicContact CD2-CG1 4.49Å
170M73.3Confident72.2Confident113 Ų11361 Ų6156%0.55732%0.322SS*.Hα-helixtrans-54.8-32.9175.3-84.7-93.8-167.800112.4V166 L167 L172 L173V166-M170 WeakPolarHBondContact O-CG 3.32Å; V166-M170 PolarHBondContact O-N 3.11Å; L167-M170 WeakPolarHBondContact O-CB 3.42Å; L167-M170 PolarHBondContact O-N 2.86Å; M170-L172 PolarHBondContact O-N 2.81Å; M170-L173 PolarHBondContact O-N 3.11Å; M170-L173 HydrophobicContact SD-CD1 3.96Å
171T71Confident72.5Confident35 Ų3560.2 Ų60.222%0.21531%0.312CS..THydrogen-bonded Turntrans-69.7-15.4177.6670000114.4M118 A122 L167 M168 F169 Q241M118-T171 HydrophobicContact CB-CG2 3.87Å; M118-T171 HydrophobicContact CG-CG2 4.38Å; M118-T171 HydrophobicContact SD-CG2 3.99Å; A122-T171 HydrophobicContact CB-CG2 4.48Å; L167-T171 WeakPolarHBondContact O-CG2 3.23Å; L167-T171 PolarHBondContact O-N 3.06Å; M168-T171 PolarHBondContact O-N 3.45Å; M168-T171 PolarHBondContact O-OG1 3.38Å; F169-T171 PolarHBondContact O-N 3.36Å; F169-T171 VanDerWaalsContact O-N 3.15Å; T171-Q241 PolarHBondContact OG1-NE2 3.39Å
172L69.8Low73Confident14 Ų1463.9 Ų63.97%0.07333%0.329CS..THydrogen-bonded Turntrans-93.1-0.4177.6-63.2176.7000113.2F169 M170 H174 Q241 T242 V245F169-L172 WeakPolarHBondContact O-CB 3.46Å; F169-L172 PolarHBondContact O-N 3.45Å; M170-L172 PolarHBondContact O-N 2.81Å; L172-H174 PolarHBondContact O-N 3.28Å; L172-H174 VanDerWaalsContact O-N 3.09Å; L172-H174 PolarHBondContact O-ND1 3.38Å; L172-H174 VanDerWaalsContact O-ND1 3.12Å; L172-Q241 HydrophobicContact CD2-CB 4.18Å; L172-Q241 HydrophobicContact CD2-CG 3.78Å; L172-T242 HydrophobicContact CD1-CG2 4.25Å; L172-T242 WeakPolarHBondContact CD2-OG1 3.48Å; L172-V245 HydrophobicContact CD1-CB 4Å; L172-V245 HydrophobicContact CD1-CG1 4.32Å; L172-V245 HydrophobicContact CD1-CG2 3.65Å; L172-V245 HydrophobicContact CG-CG2 4.41Å
173L67.4Low73.4Confident27 Ų2767.1 Ų67.114%0.14135%0.347CS..  trans-76.199.1-179.8-68.3175.9000110.3F169 M170 F175 N185F169-L173 HydrophobicContact CE1-CD2 3.91Å; F169-L173 HydrophobicContact CE1-CG 4.44Å; F169-L173 HydrophobicContact CZ-CD2 4.45Å; M170-L173 PolarHBondContact O-N 3.11Å; M170-L173 HydrophobicContact SD-CD1 3.96Å; L173-F175 HydrophobicContact CB-CE2 4.29Å; L173-F175 HydrophobicContact CB-CZ 4.39Å; L173-F175 WeakPolarHBondContact O-CD2 3.18Å; L173-F175 PolarHBondContact O-N 2.95Å; L173-N185 HydrophobicContact CD2-CB 3.93Å; L173-N185 VanDerWaalsContact CD2-OD1 3.32Å; L173-N185 WeakPolarHBondContact CD2-OD1 3.33Å
174H65.4Low73.7Confident70 Ų7064.7 Ų64.732%0.32433%0.331SS..  trans-76113.3169.3-61.780.9000109.7L172 D176 N185 D238L172-H174 PolarHBondContact O-N 3.28Å; L172-H174 VanDerWaalsContact O-N 3.09Å; L172-H174 PolarHBondContact O-ND1 3.38Å; L172-H174 VanDerWaalsContact O-ND1 3.12Å; H174-D176 PolarHBondContact O-N 3.46Å; H174-N185 PolarHBondContact O-ND2 3.5Å; H174-D238 IonicContact CE1-OD2 3.48Å; H174-D238 PolarHBondContact CE1-OD2 3.02Å; H174-D238 IonicContact NE2-OD2 2.88Å; H174-D238 PolarHBondContact NE2-OD2 3.42Å
175F61.2Low74.2Confident187 Ų18764.1 Ų64.182%0.8233%0.328SS*.  trans-81.241.3175.9-66.7-81.8000112.7L173L173-F175 HydrophobicContact CB-CE2 4.29Å; L173-F175 HydrophobicContact CB-CZ 4.39Å; L173-F175 WeakPolarHBondContact O-CD2 3.18Å; L173-F175 PolarHBondContact O-N 2.95Å
176D65.4Low74.7Confident93 Ų9370.2 Ų70.250%0.49736%0.358SS..  trans-74.3136.7172.9-80.6-55.6000110.1H174 S178H174-D176 PolarHBondContact O-N 3.46Å; D176-S178 PolarHBondContact O-N 3.21Å
177P63.9Low75.1Confident121 Ų12170.9 Ų70.979%0.78636%0.362SS*.  trans-72.713.8-176.230.4-35.7000113.7
178S78.9Confident75.7Confident50 Ų5066.9 Ų66.935%0.3534%0.341SS..  trans-72.8137.1178.299.50000110.3D176 F180 S181 I182D176-S178 PolarHBondContact O-N 3.21Å; S178-F180 PolarHBondContact O-N 3.41Å; S178-S181 PolarHBondContact O-N 2.97Å; S178-S181 VanDerWaalsContact O-N 3.14Å; S178-S181 VanDerWaalsContact OG-CB 3.29Å; S178-S181 WeakPolarHBondContact OG-CB 3.31Å; S178-S181 PolarHBondContact OG-N 3.42Å; S178-S181 PolarHBondContact OG-OG 2.95Å; S178-I182 WeakPolarHBondContact O-CG1 3.41Å; S178-I182 PolarHBondContact O-N 3.36Å
179F80.1Confident76.1Confident170 Ų17068.8 Ų68.875%0.74635%0.353SS*.Hα-helixtrans-55.6-38.4178.8177.4-100.4000112.1I182 L183F179-I182 PolarHBondContact O-N 2.93Å; F179-L183 WeakPolarHBondContact O-CB 3.34Å; F179-L183 PolarHBondContact O-N 2.88Å
180F78.3Confident76.5Confident100 Ų10070.9 Ų70.944%0.43937%0.372SS..Hα-helixtrans-65.9-45.7178.6-168.7-77.4000111.8S178 I182 L183 Q184 F219S178-F180 PolarHBondContact O-N 3.41Å; F180-I182 VanDerWaalsContact C-N 3.33Å; F180-I182 PolarHBondContact O-N 3.38Å; F180-L183 PolarHBondContact O-N 3.43Å; F180-Q184 WeakPolarHBondContact O-CB 3.14Å; F180-Q184 PolarHBondContact O-N 3.42Å; F180-F219 HydrophobicContact CD1-CE1 4.31Å; F180-F219 AromaticContact CD1-CE2 3.61Å; F180-F219 HydrophobicContact CD1-CE2 3.61Å; F180-F219 AromaticContact CD1-CZ 3.23Å; F180-F219 HydrophobicContact CD1-CZ 3.23Å; F180-F219 HydrophobicContact CE1-CD2 4.36Å; F180-F219 AromaticContact CE1-CE2 3.13Å; F180-F219 HydrophobicContact CE1-CE2 3.13Å; F180-F219 AromaticContact CE1-CZ 3.3Å; F180-F219 HydrophobicContact CE1-CZ 3.3Å; F180-F219 HydrophobicContact CG-CZ 4.12Å; F180-F219 AromaticContact CZ-CE2 3.91Å; F180-F219 HydrophobicContact CZ-CE2 3.91Å; F180-F219 HydrophobicContact CZ-CZ 4.17Å
181S76.8Confident77Confident14 Ų1466.7 Ų66.710%0.09835%0.352CS..Hα-helixtrans-61.6-40.8177.3-57.90000111.6S178 Q184 N185S178-S181 PolarHBondContact O-N 2.97Å; S178-S181 VanDerWaalsContact O-N 3.14Å; S178-S181 VanDerWaalsContact OG-CB 3.29Å; S178-S181 WeakPolarHBondContact OG-CB 3.31Å; S178-S181 PolarHBondContact OG-N 3.42Å; S178-S181 PolarHBondContact OG-OG 2.95Å; S181-Q184 PolarHBondContact O-N 3.31Å; S181-N185 VanDerWaalsContact O-CB 3.32Å; S181-N185 WeakPolarHBondContact O-CB 3.38Å; S181-N185 PolarHBondContact O-N 2.8Å; S181-N185 PolarHBondContact O-ND2 3.41Å
182I81.7Confident77.6Confident82 Ų8265.2 Ų65.242%0.42134%0.343SS..Hα-helixtrans-63.2-48.6177.3-66.2167.2000110.6S178 F179 F180 Q184 N185 M186S178-I182 WeakPolarHBondContact O-CG1 3.41Å; S178-I182 PolarHBondContact O-N 3.36Å; F179-I182 PolarHBondContact O-N 2.93Å; F180-I182 VanDerWaalsContact C-N 3.33Å; F180-I182 PolarHBondContact O-N 3.38Å; I182-Q184 VanDerWaalsContact C-N 3.35Å; I182-Q184 PolarHBondContact O-N 3.46Å; I182-N185 PolarHBondContact O-N 2.9Å; I182-M186 HydrophobicContact CG2-SD 4.32Å; I182-M186 WeakPolarHBondContact O-CG 3.4Å; I182-M186 PolarHBondContact O-N 3.48Å
183L82.9Confident78.3Confident84 Ų8468.7 Ų68.744%0.4436%0.361SS..Hα-helixtrans-60.6-45.3178.5-177.266.1000111.3F179 F180 M186 V187F179-L183 WeakPolarHBondContact O-CB 3.34Å; F179-L183 PolarHBondContact O-N 2.88Å; F180-L183 PolarHBondContact O-N 3.43Å; L183-M186 PolarHBondContact O-N 3.18Å; L183-V187 WeakPolarHBondContact O-CG2 3.42Å; L183-V187 PolarHBondContact O-N 2.76Å
184Q80.5Confident79Confident28 Ų2870.7 Ų70.713%0.13137%0.371CS..Hα-helixtrans-58.1-49.5175.6165.4179.1-33.800111.9F180 S181 I182 M186 V187 G188 I215F180-Q184 WeakPolarHBondContact O-CB 3.14Å; F180-Q184 PolarHBondContact O-N 3.42Å; S181-Q184 PolarHBondContact O-N 3.31Å; I182-Q184 VanDerWaalsContact C-N 3.35Å; I182-Q184 PolarHBondContact O-N 3.46Å; Q184-M186 VanDerWaalsContact C-N 3.29Å; Q184-M186 PolarHBondContact O-N 2.83Å; Q184-V187 PolarHBondContact O-N 2.97Å; Q184-G188 PolarHBondContact O-N 3.08Å; Q184-I215 HydrophobicContact CB-CD1 4.44Å; Q184-I215 VanDerWaalsContact CD-CD1 3.48Å; Q184-I215 HydrophobicContact CG-CD1 3.55Å; Q184-I215 HydrophobicContact CG-CG1 4.47Å; Q184-I215 VanDerWaalsContact NE2-CG2 3.28Å
185N82.6Confident79.7Confident23 Ų2367.4 Ų67.412%0.12336%0.356CS..Hα-helixtrans-62.9-38.2-179.4-75.2-21.3000111.2L173 H174 S181 I182 T189L173-N185 HydrophobicContact CD2-CB 3.93Å; L173-N185 VanDerWaalsContact CD2-OD1 3.32Å; L173-N185 WeakPolarHBondContact CD2-OD1 3.33Å; H174-N185 PolarHBondContact O-ND2 3.5Å; S181-N185 VanDerWaalsContact O-CB 3.32Å; S181-N185 WeakPolarHBondContact O-CB 3.38Å; S181-N185 PolarHBondContact O-N 2.8Å; S181-N185 PolarHBondContact O-ND2 3.41Å; I182-N185 PolarHBondContact O-N 2.9Å; N185-T189 WeakPolarHBondContact O-CB 3.38Å; N185-T189 PolarHBondContact O-N 2.58Å; N185-T189 PolarHBondContact O-OG1 3.24Å
186M85.8Confident80.5Confident129 Ų12960.4 Ų60.464%0.63533%0.333SS*.Hα-helixtrans-63-50.4174.6-75.4-176.36500112I182 L183 Q184 T189 A190I182-M186 HydrophobicContact CG2-SD 4.32Å; I182-M186 WeakPolarHBondContact O-CG 3.4Å; I182-M186 PolarHBondContact O-N 3.48Å; L183-M186 PolarHBondContact O-N 3.18Å; Q184-M186 VanDerWaalsContact C-N 3.29Å; Q184-M186 PolarHBondContact O-N 2.83Å; M186-T189 PolarHBondContact O-N 2.98Å; M186-A190 WeakPolarHBondContact O-CB 3.23Å; M186-A190 PolarHBondContact O-N 2.95Å
187V85.7Confident81.1Confident49 Ų4960.6 Ų60.630%0.29733%0.333SS..Hα-helixtrans-63.3-46.4179.8173.30000110.9L183 Q184 A190 L191 W211L183-V187 WeakPolarHBondContact O-CG2 3.42Å; L183-V187 PolarHBondContact O-N 2.76Å; Q184-V187 PolarHBondContact O-N 2.97Å; V187-A190 PolarHBondContact O-N 3.44Å; V187-L191 HydrophobicContact CG1-CD1 4.01Å; V187-L191 WeakPolarHBondContact O-CG 3.48Å; V187-L191 PolarHBondContact O-N 3.42Å; V187-W211 HydrophobicContact CB-CZ2 4.2Å; V187-W211 HydrophobicContact CG1-CD2 4.31Å; V187-W211 HydrophobicContact CG1-CZ2 4Å; V187-W211 HydrophobicContact CG2-CZ2 4.5Å
188G84.8Confident81.4Confident2 Ų254.8 Ų54.82%0.02130%0.295CS..Hα-helixtrans-63.8-41.5179.200000112.8F169 Q184 L191 I192F169-G188 VanDerWaalsContact CZ-C 3.45Å; Q184-G188 PolarHBondContact O-N 3.08Å; G188-L191 PolarHBondContact O-N 2.93Å; G188-I192 PolarHBondContact O-N 3.31Å
189T84.4Confident80.9Confident44 Ų4456.2 Ų56.227%0.2730%0.295SS..Hα-helixtrans-67.2-38.9176.5-55.30000111.7N185 M186 I192 I193N185-T189 WeakPolarHBondContact O-CB 3.38Å; N185-T189 PolarHBondContact O-N 2.58Å; N185-T189 PolarHBondContact O-OG1 3.24Å; M186-T189 PolarHBondContact O-N 2.98Å; T189-I192 WeakPolarHBondContact O-CG2 3.29Å; T189-I193 HydrophobicContact CG2-CD1 3.92Å; T189-I193 WeakPolarHBondContact O-CB 3.25Å; T189-I193 WeakPolarHBondContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CG1 3.42Å; T189-I193 PolarHBondContact O-N 3.33Å; T189-I193 VanDerWaalsContact O-N 3.1Å
190A86.3Confident80.5Confident53 Ų5350.1 Ų50.144%0.43827%0.268SS..Hα-helixtrans-62.1-45.1174.700000111.7M186 V187 I193 L194M186-A190 WeakPolarHBondContact O-CB 3.23Å; M186-A190 PolarHBondContact O-N 2.95Å; V187-A190 PolarHBondContact O-N 3.44Å; A190-I193 PolarHBondContact O-N 3.46Å; A190-L194 WeakPolarHBondContact O-CG 3.09Å; A190-L194 PolarHBondContact O-N 2.87Å; A190-L194 VanDerWaalsContact O-N 3.12Å
191L84.7Confident80.2Confident25 Ų2545.6 Ų45.613%0.13125%0.249CC..Hα-helixtrans-66.8-41.8179.1-72.7172.8000112.7V187 G188 I193 L194 V195 T207 L208V187-L191 HydrophobicContact CG1-CD1 4.01Å; V187-L191 WeakPolarHBondContact O-CG 3.48Å; V187-L191 PolarHBondContact O-N 3.42Å; G188-L191 PolarHBondContact O-N 2.93Å; L191-I193 VanDerWaalsContact C-N 3.3Å; L191-I193 PolarHBondContact O-N 3.4Å; L191-L194 HydrophobicContact CD2-CD1 4.41Å; L191-L194 WeakPolarHBondContact O-CB 3.47Å; L191-L194 PolarHBondContact O-N 3.17Å; L191-V195 WeakPolarHBondContact O-CG2 3.29Å; L191-V195 PolarHBondContact O-N 3.34Å; L191-T207 HydrophobicContact CD1-CG2 4.29Å; L191-T207 HydrophobicContact CD2-CG2 4.37Å; L191-L208 HydrophobicContact CB-CB 4.23Å; L191-L208 HydrophobicContact CB-CD1 3.86Å; L191-L208 HydrophobicContact CB-CD2 4.3Å; L191-L208 HydrophobicContact CB-CG 4.36Å; L191-L208 HydrophobicContact CD1-CB 4.27Å; L191-L208 HydrophobicContact CD1-CD1 3.94Å
192I84.1Confident80.1Confident4 Ų448.2 Ų48.22%0.02126%0.258CS..Hα-helixtrans-67.1-33.4178.2-161.867.2000111.6V166 F169 G188 T189 V195 A196 L208 L249V166-I192 HydrophobicContact CB-CG1 4.37Å; V166-I192 HydrophobicContact CG2-CG1 3.93Å; F169-I192 HydrophobicContact CB-CD1 4.08Å; F169-I192 HydrophobicContact CB-CG1 3.94Å; F169-I192 HydrophobicContact CD1-CB 4.08Å; F169-I192 HydrophobicContact CD1-CG1 4.25Å; F169-I192 HydrophobicContact CD1-CG2 3.78Å; F169-I192 HydrophobicContact CE1-CB 4.48Å; F169-I192 HydrophobicContact CE1-CG2 4.11Å; F169-I192 HydrophobicContact CG-CB 4.2Å; F169-I192 HydrophobicContact CG-CD1 4.31Å; F169-I192 HydrophobicContact CG-CG1 4.03Å; F169-I192 HydrophobicContact CG-CG2 4.38Å; G188-I192 PolarHBondContact O-N 3.31Å; T189-I192 WeakPolarHBondContact O-CG2 3.29Å; I192-V195 PolarHBondContact O-N 2.86Å; I192-A196 WeakPolarHBondContact O-CB 3.31Å; I192-A196 PolarHBondContact O-N 2.87Å; I192-L208 HydrophobicContact CB-CD2 4.25Å; I192-L208 HydrophobicContact CD1-CD2 3.84Å; I192-L249 HydrophobicContact CD1-CD2 4.17Å
193I83.8Confident79.9Confident87 Ų8745.7 Ų45.745%0.44625%0.246SC..Hα-helixtrans-64.7-42.3173.4-71.1167.9000110.6T189 A190 L191 V195 A196 I197T189-I193 HydrophobicContact CG2-CD1 3.92Å; T189-I193 WeakPolarHBondContact O-CB 3.25Å; T189-I193 WeakPolarHBondContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CG1 3.42Å; T189-I193 PolarHBondContact O-N 3.33Å; T189-I193 VanDerWaalsContact O-N 3.1Å; A190-I193 PolarHBondContact O-N 3.46Å; L191-I193 VanDerWaalsContact C-N 3.3Å; L191-I193 PolarHBondContact O-N 3.4Å; I193-V195 VanDerWaalsContact C-N 3.3Å; I193-V195 PolarHBondContact O-N 3.23Å; I193-A196 WeakPolarHBondContact O-CB 3.41Å; I193-A196 PolarHBondContact O-N 3.47Å; I193-A196 VanDerWaalsContact O-N 3.16Å; I193-I197 HydrophobicContact CG2-CD1 3.6Å; I193-I197 HydrophobicContact CG2-CG1 4.27Å; I193-I197 VanDerWaalsContact O-CG1 3.29Å; I193-I197 WeakPolarHBondContact O-CG1 3.45Å; I193-I197 PolarHBondContact O-N 3.3Å
194L81.9Confident79.9Confident70 Ų7042.2 Ų42.237%0.36623%0.229SC..Hα-helixtrans-60-41.6175-70.6171000111.9A190 L191 G198 F199 A204A190-L194 WeakPolarHBondContact O-CG 3.09Å; A190-L194 PolarHBondContact O-N 2.87Å; A190-L194 VanDerWaalsContact O-N 3.12Å; L191-L194 HydrophobicContact CD2-CD1 4.41Å; L191-L194 WeakPolarHBondContact O-CB 3.47Å; L191-L194 PolarHBondContact O-N 3.17Å; L194-G198 PolarHBondContact O-N 2.93Å; L194-F199 HydrophobicContact CD2-CD1 4.43Å; L194-F199 PolarHBondContact O-N 2.59Å; L194-A204 HydrophobicContact CB-CB 4.07Å
195V79.8Confident79.8Confident1 Ų140.9 Ų40.91%0.00622%0.223CC..Hα-helixtrans-64.5-41.3174.2174.50000111.4L191 I192 I193 G198 T201 A204 A205 L249L191-V195 WeakPolarHBondContact O-CG2 3.29Å; L191-V195 PolarHBondContact O-N 3.34Å; I192-V195 PolarHBondContact O-N 2.86Å; I193-V195 VanDerWaalsContact C-N 3.3Å; I193-V195 PolarHBondContact O-N 3.23Å; V195-G198 PolarHBondContact O-N 2.82Å; V195-T201 HydrophobicContact CG1-CG2 4.11Å; V195-A204 HydrophobicContact CG2-CB 3.75Å; V195-A205 HydrophobicContact CG2-CB 4.06Å; V195-L249 HydrophobicContact CG1-CD2 4.3Å
196A78.3Confident79.9Confident40 Ų4040.6 Ų40.633%0.33122%0.221SC..Hα-helixtrans-63.9-46.7179.200000112.2V166 I192 I193 G198V166-A196 HydrophobicContact CG2-CB 3.62Å; I192-A196 WeakPolarHBondContact O-CB 3.31Å; I192-A196 PolarHBondContact O-N 2.87Å; I193-A196 WeakPolarHBondContact O-CB 3.41Å; I193-A196 PolarHBondContact O-N 3.47Å; I193-A196 VanDerWaalsContact O-N 3.16Å; A196-G198 PolarHBondContact O-N 2.8Å
197I77.9Confident79.9Confident96 Ų9638 Ų3849%0.49221%0.213SC..Hα-helixtrans-65.5-27.9176.2-64.9168.9000110.7I193 F199I193-I197 HydrophobicContact CG2-CD1 3.6Å; I193-I197 HydrophobicContact CG2-CG1 4.27Å; I193-I197 VanDerWaalsContact O-CG1 3.29Å; I193-I197 WeakPolarHBondContact O-CG1 3.45Å; I193-I197 PolarHBondContact O-N 3.3Å; I197-F199 HydrophobicContact CG2-CB 4.44Å
198G69.4Low79.8Confident0 Ų035.7 Ų35.70%020%0.198CC..THydrogen-bonded Turntrans80.329.317800000113.9L194 V195 A196 T201 S261L194-G198 PolarHBondContact O-N 2.93Å; V195-G198 PolarHBondContact O-N 2.82Å; A196-G198 PolarHBondContact O-N 2.8Å; G198-T201 VanDerWaalsContact C-OG1 3.3Å; G198-T201 VanDerWaalsContact CA-OG1 3.3Å; G198-T201 WeakPolarHBondContact CA-OG1 3.37Å; G198-T201 PolarHBondContact O-OG1 3.29Å; G198-S261 WeakPolarHBondContact CA-OG 3.47Å; G198-S261 PolarHBondContact O-OG 2.98Å
199F69.9Low79.8Confident80 Ų8036.2 Ų36.235%0.35120%0.202SC..SBendtrans-92.7117.5174.3-178.1-99000108.8M7 L194 I197 T201M7-F199 HydrophobicContact CE-CE1 4.5Å; L194-F199 HydrophobicContact CD2-CD1 4.43Å; L194-F199 PolarHBondContact O-N 2.59Å; I197-F199 HydrophobicContact CG2-CB 4.44Å; F199-T201 PolarHBondContact O-N 2.93Å
200K71.3Confident80Confident42 Ų4239.9 Ų39.918%0.18322%0.218CC..SBendtrans48.348.8-176.3-63.4-176.2173.3-135.40112.2M7 E11 K202 L203 A204 D263M7-K200 HydrophobicContact CE-CD 3.31Å; M7-K200 VanDerWaalsContact CE-CE 3.42Å; M7-K200 HydrophobicContact SD-CD 4.34Å; M7-K200 PolarHBondContact SD-NZ 3.31Å; E11-K200 WeakPolarHBondContact OE1-CD 3.44Å; E11-K200 WeakPolarHBondContact OE1-CE 3.33Å; E11-K200 WeakPolarHBondContact OE1-CG 3.35Å; E11-K200 IonicContact OE1-NZ 2.58Å; E11-K200 PolarHBondContact OE1-NZ 3.11Å; E11-K200 IonicContact OE2-NZ 3.77Å; E11-K200 PolarHBondContact OE2-NZ 3.2Å; E11-K200 VanDerWaalsContact OE2-NZ 3.13Å; K200-K202 PolarHBondContact O-N 2.73Å; K200-K202 VanDerWaalsContact O-N 3.11Å; K200-L203 PolarHBondContact O-N 3.26Å; K200-L203 VanDerWaalsContact O-N 3.07Å; K200-A204 PolarHBondContact O-N 3.24Å; K200-D263 VanDerWaalsContact CA-OD2 3.28Å; K200-D263 WeakPolarHBondContact CA-OD2 3.34Å; K200-D263 VanDerWaalsContact N-CG 3.33Å; K200-D263 PolarHBondContact N-OD1 2.87Å; K200-D263 PolarHBondContact N-OD2 3.18Å
201T71.4Confident80Confident4 Ų441.9 Ų41.93%0.02521%0.214CC..Hα-helixtrans-56.5-37.8-165.9-400000112.2R162 V195 G198 F199 A205 V252 S261 D263R162-T201 PolarHBondContact NH2-OG1 3.43Å; V195-T201 HydrophobicContact CG1-CG2 4.11Å; G198-T201 VanDerWaalsContact C-OG1 3.3Å; G198-T201 VanDerWaalsContact CA-OG1 3.3Å; G198-T201 WeakPolarHBondContact CA-OG1 3.37Å; G198-T201 PolarHBondContact O-OG1 3.29Å; F199-T201 PolarHBondContact O-N 2.93Å; T201-A205 WeakPolarHBondContact O-CB 3.48Å; T201-A205 PolarHBondContact O-N 3.15Å; T201-V252 HydrophobicContact CG2-CG1 4.15Å; T201-S261 PolarHBondContact OG1-OG 2.96Å; T201-D263 PolarHBondContact N-OD2 3.42Å; T201-D263 PolarHBondContact OG1-OD2 3.23Å
202K75.4Confident80Confident69 Ų6941.1 Ų41.130%0.321%0.211SC..Hα-helixtrans-63-48.1179.1-69175.7172.9-178.10112.5D15 L18 K200 L206D15-K202 WeakPolarHBondContact OD1-CD 3.46Å; D15-K202 IonicContact OD1-NZ 3.17Å; D15-K202 PolarHBondContact OD1-NZ 3.24Å; D15-K202 IonicContact OD2-NZ 3.18Å; L18-K202 HydrophobicContact CD1-CB 4.11Å; L18-K202 HydrophobicContact CD1-CD 3.88Å; L18-K202 HydrophobicContact CD1-CG 4.07Å; K200-K202 PolarHBondContact O-N 2.73Å; K200-K202 VanDerWaalsContact O-N 3.11Å; K202-L206 WeakPolarHBondContact O-CB 3.42Å; K202-L206 WeakPolarHBondContact O-CG 3.4Å; K202-L206 PolarHBondContact O-N 2.95Å
203L77.8Confident80Confident30 Ų3045 Ų4516%0.15723%0.231CC..Hα-helixtrans-67.1-47.7178.2-80.9-169.2000111.7A10 E11 A14 K200 A205 L206 T207A10-L203 WeakPolarHBondContact O-CD2 3.49Å; E11-L203 HydrophobicContact CB-CD1 4.26Å; E11-L203 HydrophobicContact CG-CD1 3.18Å; E11-L203 HydrophobicContact CG-CD2 4.48Å; E11-L203 HydrophobicContact CG-CG 3.83Å; A14-L203 HydrophobicContact CB-CD2 3.26Å; A14-L203 HydrophobicContact CB-CG 4.43Å; K200-L203 PolarHBondContact O-N 3.26Å; K200-L203 VanDerWaalsContact O-N 3.07Å; L203-A205 VanDerWaalsContact C-N 3.3Å; L203-A205 PolarHBondContact O-N 2.88Å; L203-L206 PolarHBondContact O-N 3.35Å; L203-T207 WeakPolarHBondContact O-CB 3.46Å; L203-T207 PolarHBondContact O-N 2.95Å; L203-T207 PolarHBondContact O-OG1 3.41Å
204A81.3Confident80.1Confident10 Ų1043.6 Ų43.68%0.08323%0.232CC..Hα-helixtrans-59.4-44.5-179.600000110.9L194 V195 K200 L208L194-A204 HydrophobicContact CB-CB 4.07Å; V195-A204 HydrophobicContact CG2-CB 3.75Å; K200-A204 PolarHBondContact O-N 3.24Å; A204-L208 VanDerWaalsContact O-CB 3.24Å; A204-L208 WeakPolarHBondContact O-CB 3.32Å; A204-L208 PolarHBondContact O-N 3.02Å
205A80.2Confident80.1Confident0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-70.6-39.8179.200000112.9V195 T201 L203 L208 V209 L249 V253V195-A205 HydrophobicContact CG2-CB 4.06Å; T201-A205 WeakPolarHBondContact O-CB 3.48Å; T201-A205 PolarHBondContact O-N 3.15Å; L203-A205 VanDerWaalsContact C-N 3.3Å; L203-A205 PolarHBondContact O-N 2.88Å; A205-L208 PolarHBondContact O-N 2.77Å; A205-V209 WeakPolarHBondContact O-CB 3.19Å; A205-V209 VanDerWaalsContact O-CG2 3.24Å; A205-V209 WeakPolarHBondContact O-CG2 3.45Å; A205-V209 PolarHBondContact O-N 3.3Å; A205-L249 HydrophobicContact CB-CD2 4.48Å; A205-V253 HydrophobicContact CB-CG2 3.3Å
206L83.5Confident80.4Confident17 Ų1741.1 Ų41.19%0.08922%0.219CC..Hα-helixtrans-64.6-44.8175.6-80.6171.5000112.1A14 F17 L18 K202 L203 L208 V209 I210 V253A14-L206 HydrophobicContact CB-CD1 3.79Å; F17-L206 HydrophobicContact CD1-CD2 4.36Å; F17-L206 HydrophobicContact CE1-CD2 4.37Å; L18-L206 HydrophobicContact CD1-CD1 4.1Å; L18-L206 HydrophobicContact CD2-CD1 4.08Å; L18-L206 HydrophobicContact CD2-CD2 4.24Å; L18-L206 HydrophobicContact CG-CD1 3.98Å; K202-L206 WeakPolarHBondContact O-CB 3.42Å; K202-L206 WeakPolarHBondContact O-CG 3.4Å; K202-L206 PolarHBondContact O-N 2.95Å; L203-L206 PolarHBondContact O-N 3.35Å; L206-L208 VanDerWaalsContact C-N 3.31Å; L206-L208 PolarHBondContact O-N 2.67Å; L206-V209 PolarHBondContact O-N 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.28Å; L206-I210 PolarHBondContact O-N 3.46Å; L206-V253 HydrophobicContact CG-CG1 4.4Å
207T85.8Confident80.6Confident75 Ų7543.4 Ų43.446%0.4623%0.225SC..Hα-helixtrans-60-44.4174.8-60.30000110.7L191 L203 V209 I210 W211L191-T207 HydrophobicContact CD1-CG2 4.29Å; L191-T207 HydrophobicContact CD2-CG2 4.37Å; L203-T207 WeakPolarHBondContact O-CB 3.46Å; L203-T207 PolarHBondContact O-N 2.95Å; L203-T207 PolarHBondContact O-OG1 3.41Å; T207-V209 PolarHBondContact O-N 3.31Å; T207-I210 PolarHBondContact O-N 2.88Å; T207-W211 VanDerWaalsContact O-CB 3.25Å; T207-W211 WeakPolarHBondContact O-CB 3.49Å; T207-W211 PolarHBondContact O-N 2.83Å
208L84.5Confident80.7Confident0 Ų047.1 Ų47.10%023%0.234CC..Hα-helixtrans-64.6-38177.3-174.757.5000112.4F169 L191 I192 A204 A205 L206 W211 L212 L249F169-L208 HydrophobicContact CE2-CD1 4.25Å; L191-L208 HydrophobicContact CB-CB 4.23Å; L191-L208 HydrophobicContact CB-CD1 3.86Å; L191-L208 HydrophobicContact CB-CD2 4.3Å; L191-L208 HydrophobicContact CB-CG 4.36Å; L191-L208 HydrophobicContact CD1-CB 4.27Å; L191-L208 HydrophobicContact CD1-CD1 3.94Å; I192-L208 HydrophobicContact CB-CD2 4.25Å; I192-L208 HydrophobicContact CD1-CD2 3.84Å; A204-L208 VanDerWaalsContact O-CB 3.24Å; A204-L208 WeakPolarHBondContact O-CB 3.32Å; A204-L208 PolarHBondContact O-N 3.02Å; A205-L208 PolarHBondContact O-N 2.77Å; L206-L208 VanDerWaalsContact C-N 3.31Å; L206-L208 PolarHBondContact O-N 2.67Å; L208-W211 PolarHBondContact O-N 3.31Å; L208-L212 HydrophobicContact CD1-CD1 4.23Å; L208-L212 HydrophobicContact CD1-CG 4.08Å; L208-L212 HydrophobicContact CG-CD1 4.05Å; L208-L212 HydrophobicContact CG-CG 4.33Å; L208-L212 VanDerWaalsContact O-CB 3.25Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 VanDerWaalsContact O-CG 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.33Å; L208-L212 PolarHBondContact O-N 2.9Å; L208-L249 HydrophobicContact CB-CD1 4.37Å; L208-L249 HydrophobicContact CD2-CD1 3.71Å; L208-L249 HydrophobicContact CD2-CD2 4.1Å; L208-L249 HydrophobicContact CG-CD1 3.82Å
209V85.3Confident80.9Confident14 Ų1450.8 Ų50.89%0.08525%0.25CC..Hα-helixtrans-62.7-47.4175.4161.90000111.2A205 L206 T207 W211 L212 L213 I246 L249 L250A205-V209 WeakPolarHBondContact O-CB 3.19Å; A205-V209 VanDerWaalsContact O-CG2 3.24Å; A205-V209 WeakPolarHBondContact O-CG2 3.45Å; A205-V209 PolarHBondContact O-N 3.3Å; L206-V209 PolarHBondContact O-N 3.24Å; T207-V209 PolarHBondContact O-N 3.31Å; V209-W211 VanDerWaalsContact C-N 3.33Å; V209-W211 PolarHBondContact O-N 2.87Å; V209-L212 PolarHBondContact O-N 2.75Å; V209-L213 VanDerWaalsContact O-CB 3.23Å; V209-L213 WeakPolarHBondContact O-CB 3.38Å; V209-L213 PolarHBondContact O-N 3.34Å; V209-I246 HydrophobicContact CG1-CG2 3.77Å; V209-I246 HydrophobicContact CG2-CG2 4.19Å; V209-L249 HydrophobicContact CG2-CB 3.65Å; V209-L249 HydrophobicContact CG2-CD1 4.06Å; V209-L250 HydrophobicContact CG1-CD2 4.13Å; V209-L250 HydrophobicContact CG1-CG 4.44Å; V209-L250 HydrophobicContact CG2-CD2 4.12Å; V209-L250 HydrophobicContact CG2-CG 4.2Å
210I86.9Confident81.1Confident121 Ų12147.6 Ų47.662%0.62124%0.236SC*.Hα-helixtrans-62.9-44.6178-66.4167.7000110.2L206 T207 L213 A214L206-I210 WeakPolarHBondContact O-CG1 3.28Å; L206-I210 PolarHBondContact O-N 3.46Å; T207-I210 PolarHBondContact O-N 2.88Å; I210-L213 PolarHBondContact O-N 3.06Å; I210-A214 PolarHBondContact O-N 3.31Å
211W86.6Confident81.4Confident94 Ų9446.3 Ų46.336%0.35623%0.234SC..Hα-helixtrans-60.2-51.4178.5-174.4-102.8000111.9V187 T207 L208 V209 L213 A214 I215V187-W211 HydrophobicContact CB-CZ2 4.2Å; V187-W211 HydrophobicContact CG1-CD2 4.31Å; V187-W211 HydrophobicContact CG1-CZ2 4Å; V187-W211 HydrophobicContact CG2-CZ2 4.5Å; T207-W211 VanDerWaalsContact O-CB 3.25Å; T207-W211 WeakPolarHBondContact O-CB 3.49Å; T207-W211 PolarHBondContact O-N 2.83Å; L208-W211 PolarHBondContact O-N 3.31Å; V209-W211 VanDerWaalsContact C-N 3.33Å; V209-W211 PolarHBondContact O-N 2.87Å; W211-L213 VanDerWaalsContact C-N 3.33Å; W211-L213 PolarHBondContact O-N 3.21Å; W211-A214 PolarHBondContact O-N 3.42Å; W211-I215 VanDerWaalsContact CD1-CD1 3.47Å; W211-I215 HydrophobicContact CD2-CD1 4.15Å; W211-I215 HydrophobicContact CG-CD1 4.08Å; W211-I215 HydrophobicContact CZ2-CD1 4.19Å; W211-I215 PolarHBondContact O-N 2.99Å; W211-I215 VanDerWaalsContact O-N 3.08Å
212L84.3Confident81.5Confident10 Ų1048 Ų485%0.05224%0.241CC..Hα-helixtrans-61.2-41.1177.3-79.5177.5000111.7F169 L208 V209 I215 N216 T242 V245 I246 L249F169-L212 HydrophobicContact CD2-CD1 4.32Å; F169-L212 HydrophobicContact CE2-CD1 4.28Å; F169-L212 HydrophobicContact CE2-CD2 3.94Å; F169-L212 HydrophobicContact CE2-CG 4.47Å; L208-L212 HydrophobicContact CD1-CD1 4.23Å; L208-L212 HydrophobicContact CD1-CG 4.08Å; L208-L212 HydrophobicContact CG-CD1 4.05Å; L208-L212 HydrophobicContact CG-CG 4.33Å; L208-L212 VanDerWaalsContact O-CB 3.25Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 VanDerWaalsContact O-CG 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.33Å; L208-L212 PolarHBondContact O-N 2.9Å; V209-L212 PolarHBondContact O-N 2.75Å; L212-I215 PolarHBondContact O-N 2.94Å; L212-N216 WeakPolarHBondContact O-CB 3.17Å; L212-N216 PolarHBondContact O-N 2.92Å; L212-T242 HydrophobicContact CB-CG2 4.32Å; L212-T242 HydrophobicContact CD2-CG2 4.21Å; L212-V245 HydrophobicContact CD1-CG1 4.12Å; L212-I246 HydrophobicContact CB-CD1 3.97Å; L212-I246 HydrophobicContact CB-CG1 3.86Å; L212-I246 HydrophobicContact CD1-CG1 4.26Å; L212-L249 HydrophobicContact CD1-CD1 3.87Å
213L85.3Confident81.6Confident86 Ų8651.5 Ų51.545%0.4525%0.252SS..Hα-helixtrans-64.4-44179.5-172.1148.6000111.6V209 I210 W211 N216 I217 I246V209-L213 VanDerWaalsContact O-CB 3.23Å; V209-L213 WeakPolarHBondContact O-CB 3.38Å; V209-L213 PolarHBondContact O-N 3.34Å; I210-L213 PolarHBondContact O-N 3.06Å; W211-L213 VanDerWaalsContact C-N 3.33Å; W211-L213 PolarHBondContact O-N 3.21Å; L213-N216 PolarHBondContact O-N 2.9Å; L213-I217 HydrophobicContact CD2-CD1 3.58Å; L213-I217 HydrophobicContact CD2-CG1 4.48Å; L213-I217 HydrophobicContact CG-CD1 4.38Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 3.12Å; L213-I246 HydrophobicContact CB-CD1 4.1Å
214A85.4Confident81.5Confident57 Ų5753.7 Ų53.747%0.47128%0.275SS..Hα-helixtrans-61.6-46.5177.400000111.7I210 W211 N216 I217 Y218I210-A214 PolarHBondContact O-N 3.31Å; W211-A214 PolarHBondContact O-N 3.42Å; A214-N216 VanDerWaalsContact C-N 3.35Å; A214-I217 PolarHBondContact O-N 2.95Å; A214-Y218 PolarHBondContact O-N 3.29Å; A214-Y218 VanDerWaalsContact O-N 3.11Å
215I81.8Confident81Confident15 Ų1554.7 Ų54.78%0.07728%0.28CS..Hα-helixtrans-62.7-43.2175.7-76160.6000111.1Q184 W211 L212 I217 Y218 F219Q184-I215 HydrophobicContact CB-CD1 4.44Å; Q184-I215 VanDerWaalsContact CD-CD1 3.48Å; Q184-I215 HydrophobicContact CG-CD1 3.55Å; Q184-I215 HydrophobicContact CG-CG1 4.47Å; Q184-I215 VanDerWaalsContact NE2-CG2 3.28Å; W211-I215 VanDerWaalsContact CD1-CD1 3.47Å; W211-I215 HydrophobicContact CD2-CD1 4.15Å; W211-I215 HydrophobicContact CG-CD1 4.08Å; W211-I215 HydrophobicContact CZ2-CD1 4.19Å; W211-I215 PolarHBondContact O-N 2.99Å; W211-I215 VanDerWaalsContact O-N 3.08Å; L212-I215 PolarHBondContact O-N 2.94Å; I215-I217 VanDerWaalsContact C-N 3.3Å; I215-I217 PolarHBondContact O-N 2.93Å; I215-Y218 PolarHBondContact O-N 3.41Å; I215-Y218 VanDerWaalsContact O-N 3.11Å; I215-F219 HydrophobicContact CG2-CD2 3.92Å; I215-F219 PolarHBondContact O-N 3.38Å
216N86.1Confident80.6Confident4 Ų457.8 Ų57.82%0.02130%0.3CS..Hα-helixtrans-62-40.7-177.8-160.636.4000111.4L212 L213 A214 Y218 N220 F239 T242 T243L212-N216 WeakPolarHBondContact O-CB 3.17Å; L212-N216 PolarHBondContact O-N 2.92Å; L213-N216 PolarHBondContact O-N 2.9Å; A214-N216 VanDerWaalsContact C-N 3.35Å; N216-Y218 VanDerWaalsContact C-N 3.35Å; N216-N220 CarbonylContact O-C 3.39Å; N216-N220 WeakPolarHBondContact O-CA 3.33Å; N216-N220 VanDerWaalsContact O-CB 3.31Å; N216-N220 WeakPolarHBondContact O-CB 3.34Å; N216-N220 PolarHBondContact O-N 2.91Å; N216-N220 WeakPolarHBondContact OD1-CB 3.37Å; N216-N220 PolarHBondContact OD1-ND2 3.29Å; N216-F239 HydrophobicContact CB-CD2 4.42Å; N216-F239 HydrophobicContact CB-CE2 4.37Å; N216-F239 VanDerWaalsContact CG-CD2 3.41Å; N216-F239 WeakPolarHBondContact ND2-CD2 3.02Å; N216-F239 WeakPolarHBondContact ND2-CE2 3.37Å; N216-F239 PolarHBondContact ND2-O 3.36Å; N216-F239 VanDerWaalsContact OD1-CA 3.29Å; N216-F239 WeakPolarHBondContact OD1-CA 3.41Å; N216-F239 WeakPolarHBondContact OD1-CD2 3.33Å; N216-T242 HydrophobicContact CB-CG2 3.9Å; N216-T242 WeakPolarHBondContact OD1-CB 3.22Å; N216-T243 PolarHBondContact ND2-OG1 2.86Å
217I83.5Confident79.9Confident87 Ų8760.7 Ų60.745%0.44633%0.326SS..Hα-helixtrans-68.9-33.3175.9-68.6174.8000111.8L213 A214 I215 A221 W223L213-I217 HydrophobicContact CD2-CD1 3.58Å; L213-I217 HydrophobicContact CD2-CG1 4.48Å; L213-I217 HydrophobicContact CG-CD1 4.38Å; L213-I217 WeakPolarHBondContact O-CG1 3.49Å; L213-I217 PolarHBondContact O-N 3.12Å; A214-I217 PolarHBondContact O-N 2.95Å; I215-I217 VanDerWaalsContact C-N 3.3Å; I215-I217 PolarHBondContact O-N 2.93Å; I217-A221 WeakPolarHBondContact O-CB 3.49Å; I217-W223 HydrophobicContact CG1-CH2 4.45Å; I217-W223 HydrophobicContact CG2-CH2 4.45Å; I217-W223 HydrophobicContact CG2-CZ2 4.1Å
218Y80.1Confident78.9Confident175 Ų17565.8 Ų65.869%0.68634%0.338SS*.Hα-helixtrans-82.4-49.5-177.3-174.1-89.9000113.1A214 I215 N216A214-Y218 PolarHBondContact O-N 3.29Å; A214-Y218 VanDerWaalsContact O-N 3.11Å; I215-Y218 PolarHBondContact O-N 3.41Å; I215-Y218 VanDerWaalsContact O-N 3.11Å; N216-Y218 VanDerWaalsContact C-N 3.35Å
219F72.6Confident78.2Confident76 Ų7670.2 Ų70.233%0.33336%0.358SS..Hα-helixtrans-87.5-40.9-175.7-76-83.3000113F180 I215 A221F180-F219 HydrophobicContact CD1-CE1 4.31Å; F180-F219 AromaticContact CD1-CE2 3.61Å; F180-F219 HydrophobicContact CD1-CE2 3.61Å; F180-F219 AromaticContact CD1-CZ 3.23Å; F180-F219 HydrophobicContact CD1-CZ 3.23Å; F180-F219 HydrophobicContact CE1-CD2 4.36Å; F180-F219 AromaticContact CE1-CE2 3.13Å; F180-F219 HydrophobicContact CE1-CE2 3.13Å; F180-F219 AromaticContact CE1-CZ 3.3Å; F180-F219 HydrophobicContact CE1-CZ 3.3Å; F180-F219 HydrophobicContact CG-CZ 4.12Å; F180-F219 AromaticContact CZ-CE2 3.91Å; F180-F219 HydrophobicContact CZ-CE2 3.91Å; F180-F219 HydrophobicContact CZ-CZ 4.17Å; I215-F219 HydrophobicContact CG2-CD2 3.92Å; I215-F219 PolarHBondContact O-N 3.38Å; F219-A221 VanDerWaalsContact C-N 3.28Å; F219-A221 PolarHBondContact O-N 3.48Å
220N74Confident77.1Confident13 Ų1374.4 Ų74.47%0.0739%0.385CS..  trans-98.333.2-176.1-55.5-38.8000111.5N216 F222 F239N216-N220 CarbonylContact O-C 3.39Å; N216-N220 WeakPolarHBondContact O-CA 3.33Å; N216-N220 VanDerWaalsContact O-CB 3.31Å; N216-N220 WeakPolarHBondContact O-CB 3.34Å; N216-N220 PolarHBondContact O-N 2.91Å; N216-N220 WeakPolarHBondContact OD1-CB 3.37Å; N216-N220 PolarHBondContact OD1-ND2 3.29Å; N220-F222 PolarHBondContact O-N 3.33Å; N220-F239 HydrophobicContact CB-CB 3.82Å; N220-F239 HydrophobicContact CB-CD2 3.96Å; N220-F239 HydrophobicContact CB-CG 4.41Å; N220-F239 VanDerWaalsContact O-CD2 3.29Å; N220-F239 WeakPolarHBondContact O-CD2 3.03Å
221A77.6Confident76.1Confident15 Ų1574.2 Ų74.212%0.12438%0.383CS..  trans-6967.4175.600000111.2I217 F219 W223 A224I217-A221 WeakPolarHBondContact O-CB 3.49Å; F219-A221 VanDerWaalsContact C-N 3.28Å; F219-A221 PolarHBondContact O-N 3.48Å; A221-W223 HydrophobicContact CB-CD2 4.41Å; A221-W223 HydrophobicContact CB-CH2 4.49Å; A221-W223 HydrophobicContact CB-CZ2 3.81Å; A221-W223 PolarHBondContact O-N 2.89Å; A221-W223 VanDerWaalsContact O-N 3.12Å; A221-A224 HydrophobicContact CB-CB 4.15Å; A221-A224 WeakPolarHBondContact O-CB 3.43Å; A221-A224 PolarHBondContact O-N 3.41Å
222F74.6Confident75.5Confident41 Ų4171 Ų7118%0.1837%0.372CS..G310 helixtrans-57.5-31.2-177.167.4-92.7000111.6N220 A224 V225 H232 L235 K236 F239 F240N220-F222 PolarHBondContact O-N 3.33Å; F222-A224 PolarHBondContact O-N 3.23Å; F222-V225 PolarHBondContact O-N 3.15Å; F222-H232 AromaticContact CD2-NE2 3.77Å; F222-H232 PolarHBondContact O-CD2 2.74Å; F222-H232 VanDerWaalsContact O-CD2 3.24Å; F222-L235 HydrophobicContact CB-CB 4.02Å; F222-K236 HydrophobicContact CB-CB 4.01Å; F222-K236 HydrophobicContact CD1-CG 4.46Å; F222-K236 HydrophobicContact CD2-CB 4.4Å; F222-K236 HydrophobicContact CD2-CG 4.23Å; F222-K236 HydrophobicContact CG-CB 4.07Å; F222-K236 HydrophobicContact CG-CG 4.21Å; F222-F239 HydrophobicContact CD1-CB 3.95Å; F222-F239 HydrophobicContact CD1-CD1 4.21Å; F222-F239 HydrophobicContact CD1-CD2 4.32Å; F222-F239 AromaticContact CD1-CG 3.9Å; F222-F239 HydrophobicContact CD1-CG 3.9Å; F222-F239 HydrophobicContact CE1-CB 4.33Å; F222-F239 AromaticContact CE1-CD1 3.74Å; F222-F239 HydrophobicContact CE1-CD1 3.74Å; F222-F239 HydrophobicContact CE1-CD2 4.4Å; F222-F239 HydrophobicContact CE1-CE1 4.14Å; F222-F239 AromaticContact CE1-CG 3.89Å; F222-F239 HydrophobicContact CE1-CG 3.89Å; F222-F240 HydrophobicContact CE1-CE2 4.47Å
223W76.4Confident74.8Confident141 Ų14173.2 Ų73.253%0.53438%0.384SS..G310 helixtrans-64.2-17.5175.156.182000114.6I217 A221 V225 F239I217-W223 HydrophobicContact CG1-CH2 4.45Å; I217-W223 HydrophobicContact CG2-CH2 4.45Å; I217-W223 HydrophobicContact CG2-CZ2 4.1Å; A221-W223 HydrophobicContact CB-CD2 4.41Å; A221-W223 HydrophobicContact CB-CH2 4.49Å; A221-W223 HydrophobicContact CB-CZ2 3.81Å; A221-W223 PolarHBondContact O-N 2.89Å; A221-W223 VanDerWaalsContact O-N 3.12Å; W223-V225 VanDerWaalsContact C-N 3.33Å; W223-F239 HydrophobicContact CH2-CD2 4.25Å; W223-F239 AromaticContact CH2-CE2 3.61Å; W223-F239 HydrophobicContact CH2-CE2 3.61Å; W223-F239 HydrophobicContact CH2-CZ 4.17Å; W223-F239 AromaticContact CZ3-CD2 4Å; W223-F239 HydrophobicContact CZ3-CD2 4Å; W223-F239 AromaticContact CZ3-CE2 3.56Å; W223-F239 HydrophobicContact CZ3-CE2 3.56Å; W223-F239 AromaticContact CZ3-CZ 3.87Å; W223-F239 HydrophobicContact CZ3-CZ 3.87Å
224A74.8Confident74Confident76 Ų7675.4 Ų75.463%0.62839%0.39SS*.G310 helixtrans-82.9-12.317500000112.7A221 F222A221-A224 HydrophobicContact CB-CB 4.15Å; A221-A224 WeakPolarHBondContact O-CB 3.43Å; A221-A224 PolarHBondContact O-N 3.41Å; F222-A224 PolarHBondContact O-N 3.23Å
225V72.8Confident73.5Confident32 Ų3273.8 Ų73.819%0.19437%0.373CS..SBendtrans-108.1133.4-178.1-176.60000109.6F222 W223 K229 H232 L235F222-V225 PolarHBondContact O-N 3.15Å; W223-V225 VanDerWaalsContact C-N 3.33Å; V225-K229 HydrophobicContact CG1-CB 4.24Å; V225-K229 HydrophobicContact CG1-CD 4.18Å; V225-H232 HydrophobicContact CG1-CB 4.27Å; V225-H232 PolarHBondContact O-CD2 2.9Å; V225-H232 VanDerWaalsContact O-CD2 3.3Å; V225-L235 HydrophobicContact CG2-CD2 4.32Å
226P71.3Confident73.2Confident65 Ų6574.8 Ų74.842%0.42238%0.377SS..  trans-61.4138.4175.4-2534.7000113Y228 K229P226-Y228 HydrophobicContact CB-CD1 3.51Å; P226-Y228 HydrophobicContact CB-CE1 3.24Å; P226-Y228 HydrophobicContact CG-CE1 3.92Å; P226-Y228 PolarHBondContact O-N 3.23Å; P226-K229 PolarHBondContact O-N 3.49Å
227A67.5Low72.6Confident77 Ų7775.6 Ų75.664%0.63638%0.38SS*.THydrogen-bonded Turntrans-60.6-16.1-173.800000115.8K229A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 2.71Å
228Y66.2Low72.3Confident182 Ų18273 Ų7371%0.71437%0.367SS*.THydrogen-bonded Turntrans-79.6-11.3-18070.8-95.4000113.6P226P226-Y228 HydrophobicContact CB-CD1 3.51Å; P226-Y228 HydrophobicContact CB-CE1 3.24Å; P226-Y228 HydrophobicContact CG-CE1 3.92Å; P226-Y228 PolarHBondContact O-N 3.23Å
229K69.1Low72.5Confident94 Ų9466.3 Ų66.341%0.40934%0.341SS..SBendtrans-87132.7-179.4-70.5-170.7176.9-178.30110V225 P226 A227 M231 H232V225-K229 HydrophobicContact CG1-CB 4.24Å; V225-K229 HydrophobicContact CG1-CD 4.18Å; P226-K229 PolarHBondContact O-N 3.49Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 2.71Å; K229-M231 PolarHBondContact O-N 2.93Å; K229-H232 WeakPolarHBondContact O-CB 3.48Å; K229-H232 PolarHBondContact O-N 3.01Å
230P62.4Low73Confident101 Ų10164.8 Ų64.866%0.65633%0.334SS*.Hα-helixtrans-53.5-30.4173.6-26.333.5000113.3H232 D233 F234P230-H232 PolarHBondContact O-N 2.99Å; P230-D233 PolarHBondContact O-N 2.79Å; P230-F234 VanDerWaalsContact O-CD2 3.25Å; P230-F234 WeakPolarHBondContact O-CD2 3.25Å
231M66.3Low73.2Confident118 Ų11864.7 Ų64.758%0.58133%0.334SS*.Hα-helixtrans-59.8-31.1175.5-171.3174.8177.500112.9K229 D233 F234 L235K229-M231 PolarHBondContact O-N 2.93Å; M231-D233 PolarHBondContact O-N 2.95Å; M231-F234 PolarHBondContact O-N 3.14Å; M231-L235 HydrophobicContact CE-CD1 3.79Å; M231-L235 HydrophobicContact CG-CD1 3.46Å; M231-L235 VanDerWaalsContact CG-CD1 3.46Å; M231-L235 WeakPolarHBondContact O-CD1 3.49Å; M231-L235 PolarHBondContact O-N 2.65Å; M231-L235 HydrophobicContact SD-CD1 4.47Å
232H73Confident73.4Confident26 Ų2664.3 Ų64.312%0.1233%0.33CS..Hα-helixtrans-60.3-45177.5173.6-88.5000111.9F222 V225 K229 P230 F234 L235 K236F222-H232 AromaticContact CD2-NE2 3.77Å; F222-H232 PolarHBondContact O-CD2 2.74Å; F222-H232 VanDerWaalsContact O-CD2 3.24Å; V225-H232 HydrophobicContact CG1-CB 4.27Å; V225-H232 PolarHBondContact O-CD2 2.9Å; V225-H232 VanDerWaalsContact O-CD2 3.3Å; K229-H232 WeakPolarHBondContact O-CB 3.48Å; K229-H232 PolarHBondContact O-N 3.01Å; P230-H232 PolarHBondContact O-N 2.99Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 3.26Å; H232-L235 PolarHBondContact O-N 3.4Å; H232-K236 VanDerWaalsContact O-CB 3.28Å; H232-K236 WeakPolarHBondContact O-CB 3.31Å; H232-K236 PolarHBondContact O-N 3Å
233D69.1Low73.9Confident57 Ų5763.6 Ų63.631%0.30533%0.329SS..Hα-helixtrans-69.5-33.3-177.8-70.6-8.9000111.8Q47 P230 M231 Y237Q47-D233 PolarHBondContact NE2-OD2 3.26Å; P230-D233 PolarHBondContact O-N 2.79Å; M231-D233 PolarHBondContact O-N 2.95Å; D233-Y237 WeakPolarHBondContact O-CB 3.39Å; D233-Y237 PolarHBondContact O-N 3.08Å
234F70.5Confident74.2Confident131 Ų13157 Ų5758%0.57531%0.305SS*.Hα-helixtrans-64.5-50.2170.4-75-69.9000112.1P230 M231 H232 K236 Y237 D238P230-F234 VanDerWaalsContact O-CD2 3.25Å; P230-F234 WeakPolarHBondContact O-CD2 3.25Å; M231-F234 PolarHBondContact O-N 3.14Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 3.26Å; F234-K236 VanDerWaalsContact C-N 3.32Å; F234-K236 PolarHBondContact O-N 3.08Å; F234-Y237 PolarHBondContact O-N 3.42Å; F234-D238 PolarHBondContact O-N 3.36Å
235L73Confident74.5Confident23 Ų2353.4 Ų53.412%0.1228%0.275CS..Hα-helixtrans-63.1-40.1179-89.482.4000112F222 V225 M231 H232 Y237 D238 F239F222-L235 HydrophobicContact CB-CB 4.02Å; V225-L235 HydrophobicContact CG2-CD2 4.32Å; M231-L235 HydrophobicContact CE-CD1 3.79Å; M231-L235 HydrophobicContact CG-CD1 3.46Å; M231-L235 VanDerWaalsContact CG-CD1 3.46Å; M231-L235 WeakPolarHBondContact O-CD1 3.49Å; M231-L235 PolarHBondContact O-N 2.65Å; M231-L235 HydrophobicContact SD-CD1 4.47Å; H232-L235 PolarHBondContact O-N 3.4Å; L235-Y237 VanDerWaalsContact C-N 3.32Å; L235-D238 PolarHBondContact O-N 3.13Å; L235-F239 WeakPolarHBondContact O-CB 3.45Å; L235-F239 PolarHBondContact O-N 3.21Å
236K77.1Confident75.1Confident36 Ų3652.4 Ų52.416%0.15727%0.268CS..Hα-helixtrans-61.1-46.5177.4-172-175.6177.7-1470109.7E39 F222 H232 F234 F239 F240E39-K236 HydrophobicContact CG-CD 4.47Å; E39-K236 HydrophobicContact CG-CG 4.43Å; E39-K236 WeakPolarHBondContact OE1-CD 3.32Å; E39-K236 WeakPolarHBondContact OE1-CE 3.44Å; E39-K236 IonicContact OE1-NZ 3.13Å; E39-K236 PolarHBondContact OE1-NZ 3.23Å; F222-K236 HydrophobicContact CB-CB 4.01Å; F222-K236 HydrophobicContact CD1-CG 4.46Å; F222-K236 HydrophobicContact CD2-CB 4.4Å; F222-K236 HydrophobicContact CD2-CG 4.23Å; F222-K236 HydrophobicContact CG-CB 4.07Å; F222-K236 HydrophobicContact CG-CG 4.21Å; H232-K236 VanDerWaalsContact O-CB 3.28Å; H232-K236 WeakPolarHBondContact O-CB 3.31Å; H232-K236 PolarHBondContact O-N 3Å; F234-K236 VanDerWaalsContact C-N 3.32Å; F234-K236 PolarHBondContact O-N 3.08Å; K236-F239 WeakPolarHBondContact O-CB 3.28Å; K236-F239 PolarHBondContact O-N 3.17Å; K236-F240 HydrophobicContact CG-CD2 3.91Å; K236-F240 HydrophobicContact CG-CE2 3.76Å; K236-F240 WeakPolarHBondContact O-CD2 3.05Å; K236-F240 PolarHBondContact O-N 3.46Å; K236-F240 VanDerWaalsContact O-N 3.07Å
237Y73.4Confident75.6Confident22 Ų2249.3 Ų49.39%0.08625%0.248CC..Hα-helixtrans-59.2-51.1176.1171.9-101.9000112.4T36 R119 D233 F234 L235 F239 F240 Q241T36-Y237 HydrophobicContact CG2-CE2 4.04Å; R119-Y237 WeakPolarHBondContact CA-OH 3.4Å; R119-Y237 HydrophobicContact CB-CE1 4.45Å; R119-Y237 HydrophobicContact CB-CE2 4.41Å; R119-Y237 WeakPolarHBondContact CB-OH 3.29Å; R119-Y237 HydrophobicContact CG-CE1 4.49Å; R119-Y237 HydrophobicContact CG-CE2 3.63Å; R119-Y237 VanDerWaalsContact CG-CZ 3.47Å; R119-Y237 WeakPolarHBondContact CG-OH 3.46Å; D233-Y237 WeakPolarHBondContact O-CB 3.39Å; D233-Y237 PolarHBondContact O-N 3.08Å; F234-Y237 PolarHBondContact O-N 3.42Å; L235-Y237 VanDerWaalsContact C-N 3.32Å; Y237-F239 PolarHBondContact O-N 3.3Å; Y237-F240 PolarHBondContact O-N 3.37Å; Y237-F240 VanDerWaalsContact O-N 3.15Å; Y237-Q241 HydrophobicContact CE1-CB 4.43Å; Y237-Q241 HydrophobicContact CE2-CB 4.42Å; Y237-Q241 WeakPolarHBondContact O-CB 3.41Å; Y237-Q241 PolarHBondContact O-N 2.88Å; Y237-Q241 PolarHBondContact OH-NE2 3.12Å; Y237-Q241 PolarHBondContact OH-OE1 3.49Å
238D77.4Confident76.2Confident32 Ų3245.6 Ų45.617%0.17122%0.217CC..Hα-helixtrans-58.7-35.4178.2-76.23.1000111.3H174 F234 L235 T242H174-D238 IonicContact CE1-OD2 3.48Å; H174-D238 PolarHBondContact CE1-OD2 3.02Å; H174-D238 IonicContact NE2-OD2 2.88Å; H174-D238 PolarHBondContact NE2-OD2 3.42Å; F234-D238 PolarHBondContact O-N 3.36Å; L235-D238 PolarHBondContact O-N 3.13Å; D238-T242 WeakPolarHBondContact O-CB 3.48Å; D238-T242 PolarHBondContact O-N 3.18Å; D238-T242 PolarHBondContact O-OG1 3.02Å
239F83.5Confident76.9Confident34 Ų3437 Ų3715%0.14918%0.184CC..Hα-helixtrans-61.9-50.2175.4-173.6-89.7000112.8N216 N220 F222 W223 L235 K236 Y237 T243N216-F239 HydrophobicContact CB-CD2 4.42Å; N216-F239 HydrophobicContact CB-CE2 4.37Å; N216-F239 VanDerWaalsContact CG-CD2 3.41Å; N216-F239 WeakPolarHBondContact ND2-CD2 3.02Å; N216-F239 WeakPolarHBondContact ND2-CE2 3.37Å; N216-F239 PolarHBondContact ND2-O 3.36Å; N216-F239 VanDerWaalsContact OD1-CA 3.29Å; N216-F239 WeakPolarHBondContact OD1-CA 3.41Å; N216-F239 WeakPolarHBondContact OD1-CD2 3.33Å; N220-F239 HydrophobicContact CB-CB 3.82Å; N220-F239 HydrophobicContact CB-CD2 3.96Å; N220-F239 HydrophobicContact CB-CG 4.41Å; N220-F239 VanDerWaalsContact O-CD2 3.29Å; N220-F239 WeakPolarHBondContact O-CD2 3.03Å; F222-F239 HydrophobicContact CD1-CB 3.95Å; F222-F239 HydrophobicContact CD1-CD1 4.21Å; F222-F239 HydrophobicContact CD1-CD2 4.32Å; F222-F239 AromaticContact CD1-CG 3.9Å; F222-F239 HydrophobicContact CD1-CG 3.9Å; F222-F239 HydrophobicContact CE1-CB 4.33Å; F222-F239 AromaticContact CE1-CD1 3.74Å; F222-F239 HydrophobicContact CE1-CD1 3.74Å; F222-F239 HydrophobicContact CE1-CD2 4.4Å; F222-F239 HydrophobicContact CE1-CE1 4.14Å; F222-F239 AromaticContact CE1-CG 3.89Å; F222-F239 HydrophobicContact CE1-CG 3.89Å; W223-F239 HydrophobicContact CH2-CD2 4.25Å; W223-F239 AromaticContact CH2-CE2 3.61Å; W223-F239 HydrophobicContact CH2-CE2 3.61Å; W223-F239 HydrophobicContact CH2-CZ 4.17Å; W223-F239 AromaticContact CZ3-CD2 4Å; W223-F239 HydrophobicContact CZ3-CD2 4Å; W223-F239 AromaticContact CZ3-CE2 3.56Å; W223-F239 HydrophobicContact CZ3-CE2 3.56Å; W223-F239 AromaticContact CZ3-CZ 3.87Å; W223-F239 HydrophobicContact CZ3-CZ 3.87Å; L235-F239 WeakPolarHBondContact O-CB 3.45Å; L235-F239 PolarHBondContact O-N 3.21Å; K236-F239 WeakPolarHBondContact O-CB 3.28Å; K236-F239 PolarHBondContact O-N 3.17Å; Y237-F239 PolarHBondContact O-N 3.3Å; F239-T243 WeakPolarHBondContact O-CB 3.32Å; F239-T243 PolarHBondContact O-N 3.3Å; F239-T243 PolarHBondContact O-OG1 3.03Å
240F82.3Confident77.4Confident44 Ų4433.1 Ų33.119%0.19317%0.167CC..Hα-helixtrans-73.9-30.9-179.1-77.6-76.8000112.3T36 E39 F222 K236 Y237 T243 S244T36-F240 PolarHBondContact OG1-O 3.47Å; E39-F240 HydrophobicContact CB-CB 4.36Å; E39-F240 HydrophobicContact CB-CD1 4.32Å; E39-F240 HydrophobicContact CB-CD2 3.96Å; E39-F240 HydrophobicContact CB-CE2 4.34Å; E39-F240 HydrophobicContact CB-CG 3.95Å; E39-F240 HydrophobicContact CG-CB 4.39Å; E39-F240 HydrophobicContact CG-CD2 3.37Å; E39-F240 HydrophobicContact CG-CE2 3.69Å; E39-F240 HydrophobicContact CG-CG 3.88Å; E39-F240 HydrophobicContact CG-CZ 4.42Å; F222-F240 HydrophobicContact CE1-CE2 4.47Å; K236-F240 HydrophobicContact CG-CD2 3.91Å; K236-F240 HydrophobicContact CG-CE2 3.76Å; K236-F240 WeakPolarHBondContact O-CD2 3.05Å; K236-F240 PolarHBondContact O-N 3.46Å; K236-F240 VanDerWaalsContact O-N 3.07Å; Y237-F240 PolarHBondContact O-N 3.37Å; Y237-F240 VanDerWaalsContact O-N 3.15Å; F240-T243 PolarHBondContact O-N 3.41Å; F240-S244 PolarHBondContact O-N 2.99Å
241Q78.1Confident78Confident12 Ų1228.4 Ų28.46%0.05614%0.137CC..Hα-helixtrans-65.6-46.8172.5-172.4-177.5-1.200111T171 L172 Y237 T243 S244 V245T171-Q241 PolarHBondContact OG1-NE2 3.39Å; L172-Q241 HydrophobicContact CD2-CB 4.18Å; L172-Q241 HydrophobicContact CD2-CG 3.78Å; Y237-Q241 HydrophobicContact CE1-CB 4.43Å; Y237-Q241 HydrophobicContact CE2-CB 4.42Å; Y237-Q241 WeakPolarHBondContact O-CB 3.41Å; Y237-Q241 PolarHBondContact O-N 2.88Å; Y237-Q241 PolarHBondContact OH-NE2 3.12Å; Y237-Q241 PolarHBondContact OH-OE1 3.49Å; Q241-T243 VanDerWaalsContact C-N 3.26Å; Q241-T243 PolarHBondContact O-N 3.48Å; Q241-S244 WeakPolarHBondContact O-CB 3.32Å; Q241-S244 PolarHBondContact O-N 3.28Å; Q241-V245 PolarHBondContact O-N 3.09Å
242T83Confident78.4Confident7 Ų723.5 Ų23.54%0.04311%0.113CC..Hα-helixtrans-61-39.1175.7-55.70000111.1L172 L212 N216 D238 S244 V245 I246L172-T242 HydrophobicContact CD1-CG2 4.25Å; L172-T242 WeakPolarHBondContact CD2-OG1 3.48Å; L212-T242 HydrophobicContact CB-CG2 4.32Å; L212-T242 HydrophobicContact CD2-CG2 4.21Å; N216-T242 HydrophobicContact CB-CG2 3.9Å; N216-T242 WeakPolarHBondContact OD1-CB 3.22Å; D238-T242 WeakPolarHBondContact O-CB 3.48Å; D238-T242 PolarHBondContact O-N 3.18Å; D238-T242 PolarHBondContact O-OG1 3.02Å; T242-S244 VanDerWaalsContact C-N 3.33Å; T242-S244 PolarHBondContact O-N 2.79Å; T242-V245 PolarHBondContact O-N 2.74Å; T242-I246 HydrophobicContact CG2-CD1 4.3Å; T242-I246 WeakPolarHBondContact O-CG1 3.36Å; T242-I246 PolarHBondContact O-N 3.44Å
243T84.6Confident78.4Confident25 Ų2522.6 Ų22.615%0.15311%0.11CC..Hα-helixtrans-62.8-38.3173.9-56.50000112.1C32 N216 F239 F240 Q241 I246 G247C32-T243 HydrophobicContact CB-CG2 4.14Å; C32-T243 WeakPolarHBondContact CB-O 3.21Å; N216-T243 PolarHBondContact ND2-OG1 2.86Å; F239-T243 WeakPolarHBondContact O-CB 3.32Å; F239-T243 PolarHBondContact O-N 3.3Å; F239-T243 PolarHBondContact O-OG1 3.03Å; F240-T243 PolarHBondContact O-N 3.41Å; Q241-T243 VanDerWaalsContact C-N 3.26Å; Q241-T243 PolarHBondContact O-N 3.48Å; T243-I246 WeakPolarHBondContact O-CB 3.02Å; T243-I246 PolarHBondContact O-N 3.47Å; T243-G247 PolarHBondContact O-N 3.31Å
244S82.9Confident78.4Confident4 Ų421.7 Ų21.73%0.02811%0.11CC..Hα-helixtrans-65.2-40.8174.7-171.50000112.4C32 L33 T36 F240 Q241 T242 I246 G247 G248C32-S244 VanDerWaalsContact O-CA 3.29Å; C32-S244 WeakPolarHBondContact O-CA 3.47Å; L33-S244 PolarHBondContact O-OG 3.4Å; L33-S244 VanDerWaalsContact O-OG 3.14Å; T36-S244 WeakPolarHBondContact OG1-CB 3.33Å; F240-S244 PolarHBondContact O-N 2.99Å; Q241-S244 WeakPolarHBondContact O-CB 3.32Å; Q241-S244 PolarHBondContact O-N 3.28Å; T242-S244 VanDerWaalsContact C-N 3.33Å; T242-S244 PolarHBondContact O-N 2.79Å; S244-I246 PolarHBondContact O-N 3.45Å; S244-G247 WeakPolarHBondContact O-CA 3.35Å; S244-G247 PolarHBondContact O-N 3.04Å; S244-G247 VanDerWaalsContact O-N 3.14Å; S244-G248 PolarHBondContact O-N 3.46Å
245V81.3Confident78Confident0 Ų018.9 Ų18.90%010%0.101CC..Hα-helixtrans-62.1-42.9173176.70000111.5M168 F169 L172 L212 Q241 T242 G247 G248 L249M168-V245 HydrophobicContact CB-CG2 3.95Å; M168-V245 HydrophobicContact CE-CG2 4.31Å; F169-V245 HydrophobicContact CD2-CG1 4.49Å; L172-V245 HydrophobicContact CD1-CB 4Å; L172-V245 HydrophobicContact CD1-CG1 4.32Å; L172-V245 HydrophobicContact CD1-CG2 3.65Å; L172-V245 HydrophobicContact CG-CG2 4.41Å; L212-V245 HydrophobicContact CD1-CG1 4.12Å; Q241-V245 PolarHBondContact O-N 3.09Å; T242-V245 PolarHBondContact O-N 2.74Å; V245-G247 VanDerWaalsContact C-N 3.3Å; V245-G247 PolarHBondContact O-N 3.47Å; V245-G248 PolarHBondContact O-N 3.02Å; V245-L249 HydrophobicContact CG1-CD1 4.29Å; V245-L249 WeakPolarHBondContact O-CG 3.29Å; V245-L249 PolarHBondContact O-N 3.14Å
246I84.8Confident77.3Confident10 Ų1018.7 Ų18.75%0.05110%0.104CC..Hα-helixtrans-57.6-45172.6-70.9164.2000110.5V209 L212 L213 T242 T243 S244 G248 L249 L250V209-I246 HydrophobicContact CG1-CG2 3.77Å; V209-I246 HydrophobicContact CG2-CG2 4.19Å; L212-I246 HydrophobicContact CB-CD1 3.97Å; L212-I246 HydrophobicContact CB-CG1 3.86Å; L212-I246 HydrophobicContact CD1-CG1 4.26Å; L213-I246 HydrophobicContact CB-CD1 4.1Å; T242-I246 HydrophobicContact CG2-CD1 4.3Å; T242-I246 WeakPolarHBondContact O-CG1 3.36Å; T242-I246 PolarHBondContact O-N 3.44Å; T243-I246 WeakPolarHBondContact O-CB 3.02Å; T243-I246 PolarHBondContact O-N 3.47Å; S244-I246 PolarHBondContact O-N 3.45Å; I246-G248 VanDerWaalsContact C-N 3.35Å; I246-G248 PolarHBondContact O-N 3.03Å; I246-L249 PolarHBondContact O-N 3.34Å; I246-L250 HydrophobicContact CG2-CD1 4.09Å; I246-L250 HydrophobicContact CG2-CG 4.32Å; I246-L250 WeakPolarHBondContact O-CB 3.33Å; I246-L250 VanDerWaalsContact O-CG 3.31Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.04Å
247G81.9Confident76.1Confident0 Ų018.1 Ų18.10%010%0.104CC..Hα-helixtrans-58.3-44.3175.500000113A29 C32 T243 S244 V245 L250 L251A29-G247 WeakPolarHBondContact CB-O 3.08Å; C32-G247 VanDerWaalsContact CB-CA 3.41Å; T243-G247 PolarHBondContact O-N 3.31Å; S244-G247 WeakPolarHBondContact O-CA 3.35Å; S244-G247 PolarHBondContact O-N 3.04Å; S244-G247 VanDerWaalsContact O-N 3.14Å; V245-G247 VanDerWaalsContact C-N 3.3Å; V245-G247 PolarHBondContact O-N 3.47Å; G247-L250 PolarHBondContact O-N 2.82Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 3.02Å
248G79.4Confident74.9Confident0 Ų017.6 Ų17.60%011%0.106CC..Hα-helixtrans-63.5-40.9175.900000113.5S244 V245 I246 L251 V252S244-G248 PolarHBondContact O-N 3.46Å; V245-G248 PolarHBondContact O-N 3.02Å; I246-G248 VanDerWaalsContact C-N 3.35Å; I246-G248 PolarHBondContact O-N 3.03Å; G248-L251 WeakPolarHBondContact O-CB 3.44Å; G248-L251 PolarHBondContact O-N 3.24Å; G248-V252 PolarHBondContact O-N 2.91Å; G248-V252 VanDerWaalsContact O-N 3.13Å
249L81.6Confident73.2Confident0 Ų017.5 Ų17.50%011%0.112CC..Hα-helixtrans-64.4-45.5173.9-71.3168.8000111.6L165 I192 V195 A205 L208 V209 L212 V245 I246 L251 V252 V253L165-L249 HydrophobicContact CD1-CD2 4.34Å; I192-L249 HydrophobicContact CD1-CD2 4.17Å; V195-L249 HydrophobicContact CG1-CD2 4.3Å; A205-L249 HydrophobicContact CB-CD2 4.48Å; L208-L249 HydrophobicContact CB-CD1 4.37Å; L208-L249 HydrophobicContact CD2-CD1 3.71Å; L208-L249 HydrophobicContact CD2-CD2 4.1Å; L208-L249 HydrophobicContact CG-CD1 3.82Å; V209-L249 HydrophobicContact CG2-CB 3.65Å; V209-L249 HydrophobicContact CG2-CD1 4.06Å; L212-L249 HydrophobicContact CD1-CD1 3.87Å; V245-L249 HydrophobicContact CG1-CD1 4.29Å; V245-L249 WeakPolarHBondContact O-CG 3.29Å; V245-L249 PolarHBondContact O-N 3.14Å; I246-L249 PolarHBondContact O-N 3.34Å; L249-L251 PolarHBondContact O-N 3.24Å; L249-V252 PolarHBondContact O-N 2.9Å; L249-V252 VanDerWaalsContact O-N 3.17Å; L249-V253 WeakPolarHBondContact O-CG2 3.25Å; L249-V253 PolarHBondContact O-N 3.3Å
250L80.6Confident71.2Confident13 Ų1319.2 Ų19.27%0.06813%0.125CC..Hα-helixtrans-59.3-36175.3-73.4-179.7000111.9L25 L28 A29 V209 I246 G247 V253 A254L25-L250 HydrophobicContact CD1-CD2 3.87Å; L25-L250 HydrophobicContact CG-CD2 4.43Å; L28-L250 HydrophobicContact CD2-CD1 4.25Å; A29-L250 HydrophobicContact CB-CB 4.03Å; V209-L250 HydrophobicContact CG1-CD2 4.13Å; V209-L250 HydrophobicContact CG1-CG 4.44Å; V209-L250 HydrophobicContact CG2-CD2 4.12Å; V209-L250 HydrophobicContact CG2-CG 4.2Å; I246-L250 HydrophobicContact CG2-CD1 4.09Å; I246-L250 HydrophobicContact CG2-CG 4.32Å; I246-L250 WeakPolarHBondContact O-CB 3.33Å; I246-L250 VanDerWaalsContact O-CG 3.31Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.04Å; G247-L250 PolarHBondContact O-N 2.82Å; L250-V253 PolarHBondContact O-N 3.07Å; L250-A254 WeakPolarHBondContact O-CB 3.39Å; L250-A254 PolarHBondContact O-N 3.2Å
251L74.3Confident69.4Low2 Ų217.3 Ų17.31%0.0112%0.117CC..Hα-helixtrans-65.5-43.5175.9-166.670000112.2A29 L33 E133 G247 G248 L249 V253 A254 L255A29-L251 HydrophobicContact CB-CB 4.06Å; A29-L251 HydrophobicContact CB-CD1 4.11Å; L33-L251 HydrophobicContact CD1-CD2 4.02Å; E133-L251 HydrophobicContact CB-CD2 4.22Å; E133-L251 HydrophobicContact CG-CD1 4.15Å; E133-L251 WeakPolarHBondContact OE1-CD1 3.48Å; E133-L251 VanDerWaalsContact OE2-CD1 3.22Å; E133-L251 WeakPolarHBondContact OE2-CD1 3.29Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 3.02Å; G248-L251 WeakPolarHBondContact O-CB 3.44Å; G248-L251 PolarHBondContact O-N 3.24Å; L249-L251 PolarHBondContact O-N 3.24Å; L251-V253 VanDerWaalsContact C-N 3.29Å; L251-V253 PolarHBondContact O-N 3.5Å; L251-A254 PolarHBondContact O-N 3.28Å; L251-L255 HydrophobicContact CD1-CD1 4.42Å; L251-L255 HydrophobicContact CD2-CD1 4.4Å; L251-L255 HydrophobicContact CG-CD1 3.92Å; L251-L255 WeakPolarHBondContact O-CB 3.19Å; L251-L255 WeakPolarHBondContact O-CG 3.47Å; L251-L255 PolarHBondContact O-N 3.19Å
252V74.9Confident68Low15 Ų1521.5 Ų21.59%0.09114%0.138CC..Hα-helixtrans-63.2-38.1174.8166.20000111.5L165 T201 G248 L249 G256L165-V252 HydrophobicContact CD1-CB 4.19Å; L165-V252 HydrophobicContact CD1-CG2 3.36Å; T201-V252 HydrophobicContact CG2-CG1 4.15Å; G248-V252 PolarHBondContact O-N 2.91Å; G248-V252 VanDerWaalsContact O-N 3.13Å; L249-V252 PolarHBondContact O-N 2.9Å; L249-V252 VanDerWaalsContact O-N 3.17Å; V252-G256 PolarHBondContact O-N 3.38Å; V252-G256 VanDerWaalsContact O-N 3.1Å
253V72.6Confident66.4Low8 Ų823 Ų235%0.04815%0.146CC..Hα-helixtrans-66.2-40.9175.6177.30000111.6L18 L25 A205 L206 L249 L250 L251 G256L18-V253 HydrophobicContact CD1-CG1 3.53Å; L18-V253 HydrophobicContact CD2-CG1 3.28Å; L18-V253 HydrophobicContact CG-CG1 4.02Å; L25-V253 HydrophobicContact CD2-CG1 4.34Å; A205-V253 HydrophobicContact CB-CG2 3.3Å; L206-V253 HydrophobicContact CG-CG1 4.4Å; L249-V253 WeakPolarHBondContact O-CG2 3.25Å; L249-V253 PolarHBondContact O-N 3.3Å; L250-V253 PolarHBondContact O-N 3.07Å; L251-V253 VanDerWaalsContact C-N 3.29Å; L251-V253 PolarHBondContact O-N 3.5Å; V253-G256 PolarHBondContact O-N 3.35Å
254A68.4Low64.7Low38 Ų3825 Ų2531%0.31415%0.154SC..Hα-helixtrans-66.8-41.2178.700000112.8L25 P26 L250 L251 G256L25-A254 HydrophobicContact CB-CB 4.5Å; L25-A254 HydrophobicContact CD2-CB 3.97Å; L25-A254 HydrophobicContact CG-CB 4.44Å; P26-A254 HydrophobicContact CG-CB 4.4Å; L250-A254 WeakPolarHBondContact O-CB 3.39Å; L250-A254 PolarHBondContact O-N 3.2Å; L251-A254 PolarHBondContact O-N 3.28Å; A254-G256 VanDerWaalsContact C-N 3.3Å
255L63.6Low62.9Low71 Ų7130.9 Ų30.937%0.37218%0.179SC..Hα-helixtrans-77.6-16.5-179.6-68.3170.2000113.1E133 L251E133-L255 HydrophobicContact CB-CD1 4.42Å; E133-L255 HydrophobicContact CG-CD1 4.22Å; E133-L255 HydrophobicContact CG-CD2 4.29Å; L251-L255 HydrophobicContact CD1-CD1 4.42Å; L251-L255 HydrophobicContact CD2-CD1 4.4Å; L251-L255 HydrophobicContact CG-CD1 3.92Å; L251-L255 WeakPolarHBondContact O-CB 3.19Å; L251-L255 WeakPolarHBondContact O-CG 3.47Å; L251-L255 PolarHBondContact O-N 3.19Å
256G58Low61.2Low19 Ų1938.3 Ų38.320%0.19621%0.211CC..  trans80.6170.2-179.600000113.4V252 V253 A254 G258V252-G256 PolarHBondContact O-N 3.38Å; V252-G256 VanDerWaalsContact O-N 3.1Å; V253-G256 PolarHBondContact O-N 3.35Å; A254-G256 VanDerWaalsContact C-N 3.3Å; G256-G258 PolarHBondContact O-N 3.1Å; G256-G258 VanDerWaalsContact O-N 3.09Å
257P51.4Low59.4Low25 Ų2546.2 Ų46.216%0.16225%0.245CC..SBendtrans-60.4-23.5-170.818.5-28.7000114.4R162 D263R162-P257 VanDerWaalsContact NH2-CA 3.32Å; R162-P257 PolarHBondContact NH2-O 3.06Å; P257-D263 HydrophobicContact CB-CB 4.39Å; P257-D263 HydrophobicContact CG-CB 4.49Å
258G49.2Very low57.4Low11 Ų1153.7 Ų53.711%0.11328%0.28CS..  trans72.2151.1-179.100000112.4G256 V260 S261G256-G258 PolarHBondContact O-N 3.1Å; G256-G258 VanDerWaalsContact O-N 3.09Å; G258-V260 PolarHBondContact O-N 2.88Å; G258-S261 PolarHBondContact O-N 2.93Å
259G41.5Very low55.2Low30 Ų3067 Ų6731%0.30933%0.33SS..THydrogen-bonded Turntrans-67.38.5-165.900000117.5Q155Q155-G259 PolarHBondContact NE2-O 3.06Å
260V41.1Very low53.9Low70 Ų7070.4 Ų70.442%0.42435%0.347SS..THydrogen-bonded Turntrans-113.5-9.8175.5178.20000111.9Q155 L159 G258Q155-V260 HydrophobicContact CB-CG2 3.64Å; Q155-V260 HydrophobicContact CG-CG2 3.61Å; L159-V260 HydrophobicContact CD1-CG1 3.99Å; G258-V260 PolarHBondContact O-N 2.88Å
261S43.2Very low52.4Low3 Ų373.4 Ų73.42%0.02136%0.361CS..SBendtrans-63.1145.1176.8-142.30000110.7R162 G198 T201 G258 D263 E264 K265R162-S261 PolarHBondContact NH1-OG 3.22Å; R162-S261 PolarHBondContact NH2-OG 2.9Å; G198-S261 WeakPolarHBondContact CA-OG 3.47Å; G198-S261 PolarHBondContact O-OG 2.98Å; T201-S261 PolarHBondContact OG1-OG 2.96Å; G258-S261 PolarHBondContact O-N 2.93Å; S261-D263 PolarHBondContact O-N 3.48Å; S261-D263 VanDerWaalsContact O-N 3.13Å; S261-E264 PolarHBondContact O-N 2.93Å; S261-K265 PolarHBondContact O-N 3.09Å
262M49.1Very low51.2Low100 Ų10077.3 Ų77.349%0.49338%0.381SS..Hα-helixtrans-53.1-33.1171.7-93.7-153.866.500112.5E264 K265 K266M262-E264 PolarHBondContact O-N 3.21Å; M262-K265 PolarHBondContact O-N 2.85Å; M262-K266 PolarHBondContact O-N 2.95Å
263D50.4Low49.8Very low40 Ų4081 Ų8121%0.21440%0.398CS..Hα-helixtrans-60.1-30.1175.1-65.6-19.6000113.5K200 T201 P257 S261K200-D263 VanDerWaalsContact CA-OD2 3.28Å; K200-D263 WeakPolarHBondContact CA-OD2 3.34Å; K200-D263 VanDerWaalsContact N-CG 3.33Å; K200-D263 PolarHBondContact N-OD1 2.87Å; K200-D263 PolarHBondContact N-OD2 3.18Å; T201-D263 PolarHBondContact N-OD2 3.42Å; T201-D263 PolarHBondContact OG1-OD2 3.23Å; P257-D263 HydrophobicContact CB-CB 4.39Å; P257-D263 HydrophobicContact CG-CB 4.49Å; S261-D263 PolarHBondContact O-N 3.48Å; S261-D263 VanDerWaalsContact O-N 3.13Å
264E49Very low48.4Very low67 Ų6785.6 Ų85.631%0.31342%0.42SS..Hα-helixtrans-80.6-41.8177.8-144.7104.6148.900110.8S261 M262 K266 K267 E268S261-E264 PolarHBondContact O-N 2.93Å; M262-E264 PolarHBondContact O-N 3.21Å; E264-K266 PolarHBondContact O-N 3.43Å; E264-K267 WeakPolarHBondContact O-CB 3.28Å; E264-K267 PolarHBondContact O-N 3.44Å; E264-E268 PolarHBondContact O-N 2.9Å
265K44.9Very low47.1Very low127 Ų12788.7 Ų88.755%0.55243%0.427SS*.Hα-helixtrans-61.6-28.9175.3-73.5-170.5176.5-173.30112.7S261 M262 K267 E268S261-K265 PolarHBondContact O-N 3.09Å; M262-K265 PolarHBondContact O-N 2.85Å; K265-K267 VanDerWaalsContact C-N 3.28Å; K265-K267 PolarHBondContact O-N 2.72Å; K265-E268 PolarHBondContact O-N 2.93Å
266K46.3Very low45.9Very low155 Ų15590 Ų9067%0.67443%0.431SS*.THydrogen-bonded Turntrans-77.3-9.1176.1-140.4-176.5-175.9-170.80113.9M262 E264M262-K266 PolarHBondContact O-N 2.95Å; E264-K266 PolarHBondContact O-N 3.43Å
267K45.1Very low45Very low177 Ų17795.5 Ų95.577%0.7745%0.449SS*.THydrogen-bonded Turntrans-94.1-18171.3-76.9-178.9175.2177.20113.2E264 K265 W269E264-K267 WeakPolarHBondContact O-CB 3.28Å; E264-K267 PolarHBondContact O-N 3.44Å; K265-K267 VanDerWaalsContact C-N 3.28Å; K265-K267 PolarHBondContact O-N 2.72Å; K267-W269 VanDerWaalsContact C-N 3.35Å
268E40Very low44.4Very low156 Ų156101.3 Ų101.373%0.72947%0.473SS*.  trans-86.1-6.5177.2-68.2-171.8122.500113.3E264 K265E264-E268 PolarHBondContact O-N 2.9Å; K265-E268 PolarHBondContact O-N 2.93Å
269W33.5Very low44Very low280 Ų280109.5 Ų109.5100%1.06151%0.505SS*.  trans-123.50179.6-66.760.2000109.5K267K267-W269 VanDerWaalsContact C-N 3.35Å

Retrieved 269 of 269 residues in 658.1 ms (Link to these results)

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