A0A3Q0KQL0_SCHMA Loading...

Transmembrane protein 208

AlphaFold DB (A0A5K4EUL3), UniProt , Accession A0A3Q0KQL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M41.2Very low43.2Very low243 Ų243161.7 Ų161.7100%1.19780%0.804SS**  090.40-146.6175.5-168.600107.2N3M1-N3 PolarHBondContact O-N 3.05Å
2F45.9Very low44.3Very low212 Ų212160.4 Ų160.493%0.9381%0.812SS**  trans-68.7100.1176.6-81.8-86.1000107.2Q4F2-Q4 PolarHBondContact O-N 3.18Å
3N47.1Very low45.7Very low150 Ų150153.8 Ų153.880%0.80277%0.774SS**  trans-63.390.2167.6-168.89.2000105.7M1 K5M1-N3 PolarHBondContact O-N 3.05Å; N3-K5 PolarHBondContact O-N 3.28Å
4Q46.5Very low48Very low165 Ų165148.1 Ų148.177%0.77176%0.756SS**  trans-55.1102.7166.7-80.1-154.3-22.700105.1F2 K6F2-Q4 PolarHBondContact O-N 3.18Å; Q4-K6 PolarHBondContact O-N 2.97Å
5K42.2Very low50.2Low199 Ų199143.4 Ų143.487%0.86573%0.729SS**  trans-51.195.6159.2-90.9-177173.6-177.40104.3N3 A7N3-K5 PolarHBondContact O-N 3.28Å; K5-A7 PolarHBondContact O-N 2.95Å
6K38.8Very low52.4Low191 Ų191143.6 Ų143.683%0.8372%0.724SS**  trans-48.9114.7170.6-77.6177.7176177.30104Q4 H8Q4-K6 PolarHBondContact O-N 2.97Å; K6-H8 VanDerWaalsContact C-N 3.3Å; K6-H8 PolarHBondContact O-N 2.89Å
7A41.3Very low54.5Low91 Ų91139.8 Ų139.875%0.75271%0.706SS**  trans-46.4107.5170.300000105K5 K9K5-A7 PolarHBondContact O-N 2.95Å; A7-K9 PolarHBondContact O-N 3.39Å
8H38.4Very low56.2Low160 Ų160133.1 Ų133.174%0.74167%0.672SS**  trans-59.6100.5-180-178.4-72.3000103.3K6 E10K6-H8 VanDerWaalsContact C-N 3.3Å; K6-H8 PolarHBondContact O-N 2.89Å; H8-E10 PolarHBondContact O-N 3.39Å
9K37.1Very low57.8Low196 Ų196128.2 Ų128.285%0.85265%0.646SS**  trans-59.296.9168.9-75.8-176.6175.9-176.20102.8A7 G11A7-K9 PolarHBondContact O-N 3.39Å; K9-G11 PolarHBondContact O-N 2.85Å
10E48.9Very low59.4Low119 Ų119127.2 Ų127.256%0.55664%0.639SS**  trans-51.196.4171.4-74.9177.9148.300104.4H8 T12H8-E10 PolarHBondContact O-N 3.39Å; E10-T12 PolarHBondContact O-N 3.49Å; E10-T12 VanDerWaalsContact O-N 3.17Å
11G47.3Very low60.9Low53 Ų53123.6 Ų123.655%0.54662%0.62SS.*  trans-56.3127-173.600000106.1K9 K13K9-G11 PolarHBondContact O-N 2.85Å; G11-K13 VanDerWaalsContact C-N 3.27Å; G11-K13 PolarHBondContact O-N 3.44Å
12T56.5Low63.2Low146 Ų146112 Ų11290%0.89656%0.563SS**  trans-40.489.4-174.8-43.60000110E10 S14E10-T12 PolarHBondContact O-N 3.49Å; E10-T12 VanDerWaalsContact O-N 3.17Å; T12-S14 PolarHBondContact O-N 3.35Å
13K63.1Low65.4Low75 Ų75104.1 Ų104.133%0.32653%0.532SS..  trans-62.9132.3178.4-77.1-174.8178.2-177.50105.1G11 E15 L17 I18 E21 D98G11-K13 VanDerWaalsContact C-N 3.27Å; G11-K13 PolarHBondContact O-N 3.44Å; K13-E15 PolarHBondContact O-N 3.46Å; K13-L17 HydrophobicContact CG-CD2 4.5Å; K13-I18 HydrophobicContact CB-CD1 3.93Å; K13-I18 HydrophobicContact CB-CG1 3.63Å; K13-I18 HydrophobicContact CD-CG1 4.3Å; K13-E21 IonicContact NZ-OE1 3.88Å; K13-E21 IonicContact NZ-OE2 3.76Å; K13-E21 PolarHBondContact NZ-OE2 2.85Å; K13-D98 IonicContact NZ-OD2 2.74Å
14S77.3Confident67.6Low74 Ų74104.8 Ų104.852%0.51752%0.523SS..  trans-58.7135.4177.2-175.30000108.9T12 K16 L17 I18T12-S14 PolarHBondContact O-N 3.35Å; S14-K16 PolarHBondContact O-N 3.11Å; S14-L17 WeakPolarHBondContact O-CA 3.22Å; S14-L17 VanDerWaalsContact O-CB 3.31Å; S14-L17 WeakPolarHBondContact O-CB 3.06Å; S14-L17 PolarHBondContact O-N 2.96Å; S14-I18 PolarHBondContact O-N 3.25Å
15E82Confident69.7Low77 Ų7797.7 Ų97.736%0.3649%0.492SS..Hα-helixtrans-47.4-37.4176.5-66.2-60.6136.600112.4K13 L17 I18 H19 L92 A95K13-E15 PolarHBondContact O-N 3.46Å; E15-L17 PolarHBondContact O-N 2.98Å; E15-I18 PolarHBondContact O-N 2.9Å; E15-H19 WeakPolarHBondContact O-CB 3.36Å; E15-H19 PolarHBondContact O-N 3.07Å; E15-L92 HydrophobicContact CB-CD2 4.23Å; E15-L92 WeakPolarHBondContact O-CD2 3.48Å; E15-A95 HydrophobicContact CB-CB 4.41Å; E15-A95 VanDerWaalsContact O-CB 3.25Å; E15-A95 WeakPolarHBondContact O-CB 3.38Å; E15-A95 VanDerWaalsContact OE2-CB 3.25Å; E15-A95 WeakPolarHBondContact OE2-CB 3.27Å; E15-A95 PolarHBondContact OE2-N 3.39Å
16K85.2Confident72.2Confident147 Ų14789.2 Ų89.264%0.63946%0.455SS*.Hα-helixtrans-62.8-41.4176.1-65.3-176.2-179.3179.70112.7S14 E20 L92S14-K16 PolarHBondContact O-N 3.11Å; K16-E20 PolarHBondContact O-N 3.35Å; K16-L92 HydrophobicContact CG-CD2 4.32Å
17L87.3Confident74.9Confident79 Ų7985.1 Ų85.141%0.41444%0.438SS..Hα-helixtrans-68.2-44.4178-177.866.6000110.6K13 S14 E15 H19 E20 E21K13-L17 HydrophobicContact CG-CD2 4.5Å; S14-L17 WeakPolarHBondContact O-CA 3.22Å; S14-L17 VanDerWaalsContact O-CB 3.31Å; S14-L17 WeakPolarHBondContact O-CB 3.06Å; S14-L17 PolarHBondContact O-N 2.96Å; E15-L17 PolarHBondContact O-N 2.98Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-H19 PolarHBondContact O-N 3.42Å; L17-E20 PolarHBondContact O-N 2.73Å; L17-E21 HydrophobicContact CD1-CG 4.49Å; L17-E21 WeakPolarHBondContact O-CB 3.48Å; L17-E21 WeakPolarHBondContact O-CG 3.33Å; L17-E21 PolarHBondContact O-N 3.42Å
18I85.5Confident77.5Confident18 Ų1886.6 Ų86.69%0.09243%0.427CS..Hα-helixtrans-57.3-46.2175.7-63.3174000110.2K13 S14 E15 E20 E21 N22 A95 D98K13-I18 HydrophobicContact CB-CD1 3.93Å; K13-I18 HydrophobicContact CB-CG1 3.63Å; K13-I18 HydrophobicContact CD-CG1 4.3Å; S14-I18 PolarHBondContact O-N 3.25Å; E15-I18 PolarHBondContact O-N 2.9Å; I18-E20 PolarHBondContact O-N 2.91Å; I18-E21 PolarHBondContact O-N 2.69Å; I18-N22 VanDerWaalsContact O-CB 3.3Å; I18-N22 WeakPolarHBondContact O-CB 3.3Å; I18-N22 PolarHBondContact O-N 2.96Å; I18-A95 HydrophobicContact CB-CB 3.79Å; I18-A95 HydrophobicContact CG2-CB 3.63Å; I18-D98 HydrophobicContact CG2-CB 3.55Å
19H87.1Confident80.2Confident41 Ų4180.3 Ų80.319%0.1940%0.397CS..Hα-helixtrans-62.9-44.3179-178.556.8000112.3E15 L17 N22 V23 Y82 L92 A95E15-H19 WeakPolarHBondContact O-CB 3.36Å; E15-H19 PolarHBondContact O-N 3.07Å; L17-H19 VanDerWaalsContact C-N 3.29Å; L17-H19 PolarHBondContact O-N 3.42Å; H19-N22 PolarHBondContact O-N 2.92Å; H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.44Å; H19-V23 PolarHBondContact O-N 3.05Å; H19-Y82 PolarHBondContact NE2-OH 3.45Å; H19-L92 HydrophobicContact CB-CD2 3.72Å; H19-A95 HydrophobicContact CB-CB 3.96Å
20E89.5Confident83Confident108 Ų10875.3 Ų75.351%0.50537%0.373SS..Hα-helixtrans-62.9-44.5177.2-168.2-171.1151.400111.7K16 L17 I18 V23 R24K16-E20 PolarHBondContact O-N 3.35Å; L17-E20 PolarHBondContact O-N 2.73Å; I18-E20 PolarHBondContact O-N 2.91Å; E20-V23 PolarHBondContact O-N 2.9Å; E20-R24 WeakPolarHBondContact O-CB 3.25Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-NH2 2.95Å; E20-R24 PolarHBondContact OE1-NH2 3.3Å
21E90Very high85.3Confident51 Ų5176.2 Ų76.224%0.23837%0.372CS..Hα-helixtrans-60.6-46.4176.5-75-177.2179.700111.3K13 L17 I18 V23 R24 T25K13-E21 IonicContact NZ-OE1 3.88Å; K13-E21 IonicContact NZ-OE2 3.76Å; K13-E21 PolarHBondContact NZ-OE2 2.85Å; L17-E21 HydrophobicContact CD1-CG 4.49Å; L17-E21 WeakPolarHBondContact O-CB 3.48Å; L17-E21 WeakPolarHBondContact O-CG 3.33Å; L17-E21 PolarHBondContact O-N 3.42Å; I18-E21 PolarHBondContact O-N 2.69Å; E21-V23 PolarHBondContact O-N 3.49Å; E21-R24 PolarHBondContact O-N 2.83Å; E21-T25 WeakPolarHBondContact O-CB 3.15Å; E21-T25 PolarHBondContact O-N 3.42Å; E21-T25 PolarHBondContact O-OG1 2.89Å
22N90.7Very high87.6Confident0 Ų076 Ų760%036%0.358CS..Hα-helixtrans-59.4-46.7176.8-84-9.3000112.2I18 H19 R24 T25 L26 A78 L97 L99I18-N22 VanDerWaalsContact O-CB 3.3Å; I18-N22 WeakPolarHBondContact O-CB 3.3Å; I18-N22 PolarHBondContact O-N 2.96Å; H19-N22 PolarHBondContact O-N 2.92Å; N22-R24 VanDerWaalsContact C-N 3.32Å; N22-R24 PolarHBondContact O-N 3.28Å; N22-T25 PolarHBondContact O-N 3.43Å; N22-L26 WeakPolarHBondContact O-CG 3.23Å; N22-L26 PolarHBondContact O-N 3.39Å; N22-A78 HydrophobicContact CB-CB 4.04Å; N22-L97 PolarHBondContact ND2-O 2.9Å; N22-L99 WeakPolarHBondContact OD1-CB 3.44Å; N22-L99 PolarHBondContact OD1-N 2.85Å
23V91Very high89.4Confident46 Ų4669.3 Ų69.328%0.27932%0.317SS..Hα-helixtrans-63.7-40177.8170.20000111.1H19 E20 E21 K27H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.44Å; H19-V23 PolarHBondContact O-N 3.05Å; E20-V23 PolarHBondContact O-N 2.9Å; E21-V23 PolarHBondContact O-N 3.49Å; V23-K27 HydrophobicContact CG1-CD 4.22Å; V23-K27 WeakPolarHBondContact O-CB 3.25Å; V23-K27 WeakPolarHBondContact O-CG 3.43Å; V23-K27 PolarHBondContact O-N 3.04Å
24R93.4Very high90.9Very high164 Ų16468.9 Ų68.962%0.61932%0.318SS*.Hα-helixtrans-64.3-46176.5-170.6-178.5-65.5-169.82.1111E20 E21 N22 K27 F28E20-R24 WeakPolarHBondContact O-CB 3.25Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 IonicContact OE1-NH2 2.95Å; E20-R24 PolarHBondContact OE1-NH2 3.3Å; E21-R24 PolarHBondContact O-N 2.83Å; N22-R24 VanDerWaalsContact C-N 3.32Å; N22-R24 PolarHBondContact O-N 3.28Å; R24-K27 PolarHBondContact O-N 2.87Å; R24-F28 WeakPolarHBondContact O-CB 3.45Å; R24-F28 PolarHBondContact O-N 3.13Å
25T92.3Very high91.8Very high17 Ų1768.3 Ų68.310%0.10431%0.314CS..Hα-helixtrans-56.9-52.5174.9-65.40000110.7E21 N22 K27 F28 Y29 M74 N100E21-T25 WeakPolarHBondContact O-CB 3.15Å; E21-T25 PolarHBondContact O-N 3.42Å; E21-T25 PolarHBondContact O-OG1 2.89Å; N22-T25 PolarHBondContact O-N 3.43Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 2.94Å; T25-F28 WeakPolarHBondContact O-CB 3.12Å; T25-F28 PolarHBondContact O-N 3.33Å; T25-F28 VanDerWaalsContact O-N 3.13Å; T25-Y29 HydrophobicContact CG2-CD2 3.74Å; T25-Y29 HydrophobicContact CG2-CE2 3.73Å; T25-Y29 VanDerWaalsContact O-CD2 3.28Å; T25-Y29 WeakPolarHBondContact O-CD2 3.27Å; T25-Y29 PolarHBondContact O-N 3.48Å; T25-M74 HydrophobicContact CG2-SD 4.46Å; T25-N100 PolarHBondContact OG1-ND2 3.45Å; T25-N100 PolarHBondContact OG1-OD1 3.06Å
26L94.1Very high92.5Very high20 Ų2065.3 Ų65.311%0.10530%0.301CS..Hα-helixtrans-57.4-45.4178.8-75.1172.7000112.2N22 F28 Y29 R30 Y71 M74 A78 L99N22-L26 WeakPolarHBondContact O-CG 3.23Å; N22-L26 PolarHBondContact O-N 3.39Å; L26-F28 PolarHBondContact O-N 3.4Å; L26-Y29 PolarHBondContact O-N 3.37Å; L26-R30 VanDerWaalsContact O-CB 3.25Å; L26-R30 WeakPolarHBondContact O-CB 3.29Å; L26-R30 PolarHBondContact O-N 2.88Å; L26-Y71 HydrophobicContact CB-CE2 4.41Å; L26-Y71 HydrophobicContact CD2-CD2 4.49Å; L26-Y71 HydrophobicContact CD2-CE2 4.04Å; L26-Y71 WeakPolarHBondContact O-CE2 3.48Å; L26-M74 HydrophobicContact CD2-CB 4.07Å; L26-M74 HydrophobicContact CD2-CG 3.67Å; L26-M74 HydrophobicContact CD2-SD 3.83Å; L26-A78 HydrophobicContact CD1-CB 4.06Å; L26-L99 HydrophobicContact CD2-CD1 4.29Å; L26-L99 HydrophobicContact CG-CD1 4.23Å
27K95.2Very high92.9Very high106 Ų10658.6 Ų58.646%0.46127%0.272SS..Hα-helixtrans-60.7-44.7176.6-75.8175-176.3173.70111.6V23 R24 T25 R30 Y31V23-K27 HydrophobicContact CG1-CD 4.22Å; V23-K27 WeakPolarHBondContact O-CB 3.25Å; V23-K27 WeakPolarHBondContact O-CG 3.43Å; V23-K27 PolarHBondContact O-N 3.04Å; R24-K27 PolarHBondContact O-N 2.87Å; T25-K27 VanDerWaalsContact C-N 3.34Å; T25-K27 PolarHBondContact O-N 2.94Å; K27-R30 PolarHBondContact O-N 3.38Å; K27-Y31 HydrophobicContact CB-CE2 4.22Å; K27-Y31 WeakPolarHBondContact O-CD2 3.22Å; K27-Y31 PolarHBondContact O-N 3.2Å
28F95.4Very high93.3Very high121 Ų12159.1 Ų59.153%0.53128%0.278SS..Hα-helixtrans-57.3-53.6177.9173.1-97.2000111.4R24 T25 L26 R30 Y31 L32R24-F28 WeakPolarHBondContact O-CB 3.45Å; R24-F28 PolarHBondContact O-N 3.13Å; T25-F28 WeakPolarHBondContact O-CB 3.12Å; T25-F28 PolarHBondContact O-N 3.33Å; T25-F28 VanDerWaalsContact O-N 3.13Å; L26-F28 PolarHBondContact O-N 3.4Å; F28-R30 VanDerWaalsContact C-N 3.32Å; F28-R30 PolarHBondContact O-N 2.87Å; F28-Y31 PolarHBondContact O-N 3.16Å; F28-L32 HydrophobicContact CE1-CD2 4.36Å; F28-L32 WeakPolarHBondContact O-CB 3.28Å; F28-L32 PolarHBondContact O-N 2.87Å
29Y95.2Very high93.8Very high28 Ų2861.1 Ų61.111%0.1129%0.291CS..Hα-helixtrans-64.6-36.8179.7-79-82.3000112.3T25 L26 L32 F33 M74 K111 I114 I115T25-Y29 HydrophobicContact CG2-CD2 3.74Å; T25-Y29 HydrophobicContact CG2-CE2 3.73Å; T25-Y29 VanDerWaalsContact O-CD2 3.28Å; T25-Y29 WeakPolarHBondContact O-CD2 3.27Å; T25-Y29 PolarHBondContact O-N 3.48Å; L26-Y29 PolarHBondContact O-N 3.37Å; Y29-L32 HydrophobicContact CD1-CD2 4.19Å; Y29-L32 HydrophobicContact CE1-CD2 4.46Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.49Å; Y29-F33 WeakPolarHBondContact O-CD1 3.45Å; Y29-F33 PolarHBondContact O-N 3.04Å; Y29-F33 VanDerWaalsContact O-N 3.08Å; Y29-M74 HydrophobicContact CD2-SD 4.37Å; Y29-K111 HydrophobicContact CD2-CG 4.44Å; Y29-K111 HydrophobicContact CE1-CB 3.89Å; Y29-K111 HydrophobicContact CE1-CG 4.12Å; Y29-K111 HydrophobicContact CE2-CB 4.35Å; Y29-K111 HydrophobicContact CE2-CD 3.98Å; Y29-K111 HydrophobicContact CE2-CG 3.72Å; Y29-K111 WeakPolarHBondContact OH-CB 3.42Å; Y29-I114 HydrophobicContact CD1-CB 4.08Å; Y29-I114 HydrophobicContact CD1-CD1 4.29Å; Y29-I114 HydrophobicContact CD1-CG2 3.88Å; Y29-I114 HydrophobicContact CG-CD1 4.48Å; Y29-I115 HydrophobicContact CE1-CD1 3.8Å; Y29-I115 HydrophobicContact CE1-CG1 3.78Å
30R95.7Very high94.1Very high92 Ų9259.5 Ų59.535%0.34728%0.283SS..Hα-helixtrans-58.3-49.3174-172.9179.672.6168.74.6111.7L26 K27 F28 F33 L34 Y71L26-R30 VanDerWaalsContact O-CB 3.25Å; L26-R30 WeakPolarHBondContact O-CB 3.29Å; L26-R30 PolarHBondContact O-N 2.88Å; K27-R30 PolarHBondContact O-N 3.38Å; F28-R30 VanDerWaalsContact C-N 3.32Å; F28-R30 PolarHBondContact O-N 2.87Å; R30-F33 HydrophobicContact CG-CE1 4.41Å; R30-L34 HydrophobicContact CG-CD1 3.78Å; R30-L34 VanDerWaalsContact O-CB 3.26Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CD1 2.99Å; R30-L34 WeakPolarHBondContact O-CG 3.22Å; R30-L34 PolarHBondContact O-N 3.34Å; R30-Y71 HydrophobicContact CB-CD2 4.46Å; R30-Y71 HydrophobicContact CB-CE2 3.72Å; R30-Y71 HydrophobicContact CG-CE2 4.34Å
31Y96.7Very high94.2Very high138 Ų13857.6 Ų57.654%0.54127%0.273SS..Hα-helixtrans-68.2-38.7178.7-67.6-49.1000112.2K27 F28 S35K27-Y31 HydrophobicContact CB-CE2 4.22Å; K27-Y31 WeakPolarHBondContact O-CD2 3.22Å; K27-Y31 PolarHBondContact O-N 3.2Å; F28-Y31 PolarHBondContact O-N 3.16Å; Y31-S35 WeakPolarHBondContact O-CB 3.45Å; Y31-S35 PolarHBondContact O-N 3.37Å; Y31-S35 PolarHBondContact O-OG 3.33Å
32L95.7Very high94.4Very high48 Ų4859.1 Ų59.125%0.25129%0.286SS..Hα-helixtrans-54.4-62.5176.8179.568.6000111F28 Y29 L34 S35 C36 I115F28-L32 HydrophobicContact CE1-CD2 4.36Å; F28-L32 WeakPolarHBondContact O-CB 3.28Å; F28-L32 PolarHBondContact O-N 2.87Å; Y29-L32 HydrophobicContact CD1-CD2 4.19Å; Y29-L32 HydrophobicContact CE1-CD2 4.46Å; Y29-L32 WeakPolarHBondContact O-CB 3.34Å; Y29-L32 PolarHBondContact O-N 3.49Å; L32-L34 PolarHBondContact O-N 2.92Å; L32-S35 PolarHBondContact O-N 2.85Å; L32-S35 PolarHBondContact O-OG 3.45Å; L32-C36 PolarHBondContact O-N 2.68Å; L32-C36 VanDerWaalsContact O-N 3.13Å; L32-C36 PolarHBondContact O-SG 3.16Å; L32-C36 VanDerWaalsContact O-SG 3.38Å; L32-I115 HydrophobicContact CD2-CG1 4.16Å
33F94.2Very high94.5Very high5 Ų561.8 Ų61.82%0.02230%0.3CS..Hα-helixtrans-69.1-37.8-174.487.8-100000111.9Y29 R30 S35 C36 Y37 F64 C67 Y71 I114Y29-F33 WeakPolarHBondContact O-CD1 3.45Å; Y29-F33 PolarHBondContact O-N 3.04Å; Y29-F33 VanDerWaalsContact O-N 3.08Å; R30-F33 HydrophobicContact CG-CE1 4.41Å; F33-S35 PolarHBondContact O-N 3.3Å; F33-C36 PolarHBondContact O-N 3.3Å; F33-Y37 HydrophobicContact CD2-CD2 4.28Å; F33-Y37 WeakPolarHBondContact O-CB 3.2Å; F33-Y37 WeakPolarHBondContact O-CD2 3.46Å; F33-Y37 PolarHBondContact O-N 3.26Å; F33-F64 HydrophobicContact CD2-CE2 4.36Å; F33-F64 HydrophobicContact CE2-CD2 4.46Å; F33-F64 AromaticContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CZ 4.37Å; F33-C67 HydrophobicContact CD2-CB 4.24Å; F33-C67 HydrophobicContact CG-CB 4.47Å; F33-Y71 HydrophobicContact CE1-CD2 4.27Å; F33-Y71 HydrophobicContact CE1-CG 4.17Å; F33-I114 HydrophobicContact CB-CG2 3.94Å; F33-I114 HydrophobicContact CD1-CG2 4.38Å
34L96Very high94.5Very high67 Ų6759.9 Ų59.935%0.35129%0.288SS..Hα-helixtrans-63.1-42.7177.9-73.2175.2000111.6R30 L32 Y37 V38 F64R30-L34 HydrophobicContact CG-CD1 3.78Å; R30-L34 VanDerWaalsContact O-CB 3.26Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CD1 2.99Å; R30-L34 WeakPolarHBondContact O-CG 3.22Å; R30-L34 PolarHBondContact O-N 3.34Å; L32-L34 PolarHBondContact O-N 2.92Å; L34-Y37 PolarHBondContact O-N 3.16Å; L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 VanDerWaalsContact O-CG2 3.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 2.86Å; L34-F64 HydrophobicContact CD2-CE2 4.5Å
35S96.3Very high94.3Very high61 Ų6155.9 Ų55.943%0.42728%0.279SS..Hα-helixtrans-61.5-46.4177.1700000111.6Y31 L32 F33 Y37 V38 V39Y31-S35 WeakPolarHBondContact O-CB 3.45Å; Y31-S35 PolarHBondContact O-N 3.37Å; Y31-S35 PolarHBondContact O-OG 3.33Å; L32-S35 PolarHBondContact O-N 2.85Å; L32-S35 PolarHBondContact O-OG 3.45Å; F33-S35 PolarHBondContact O-N 3.3Å; S35-Y37 VanDerWaalsContact C-N 3.32Å; S35-Y37 PolarHBondContact O-N 2.95Å; S35-V38 PolarHBondContact O-N 3.06Å; S35-V39 WeakPolarHBondContact O-CB 3.36Å; S35-V39 VanDerWaalsContact O-CG2 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.47Å; S35-V39 PolarHBondContact O-N 3.45Å
36C95.5Very high94.3Very high15 Ų1559.6 Ų59.610%0.10130%0.301CS..Hα-helixtrans-59.4-42.9176-68.60000111.8L32 F33 Y40 M122L32-C36 PolarHBondContact O-N 2.68Å; L32-C36 VanDerWaalsContact O-N 3.13Å; L32-C36 PolarHBondContact O-SG 3.16Å; L32-C36 VanDerWaalsContact O-SG 3.38Å; F33-C36 PolarHBondContact O-N 3.3Å; C36-Y40 WeakPolarHBondContact O-CB 3.37Å; C36-Y40 PolarHBondContact O-N 2.85Å; C36-M122 HydrophobicContact CB-CG 4.09Å; C36-M122 HydrophobicContact CB-SD 4.02Å
37Y94.1Very high94.1Very high5 Ų566 Ų662%0.0233%0.329CS..Hα-helixtrans-67.9-42.5178-96.8-86.4000113.1F33 L34 S35 Y40 F41 S60 C63 F64 T121F33-Y37 HydrophobicContact CD2-CD2 4.28Å; F33-Y37 WeakPolarHBondContact O-CB 3.2Å; F33-Y37 WeakPolarHBondContact O-CD2 3.46Å; F33-Y37 PolarHBondContact O-N 3.26Å; L34-Y37 PolarHBondContact O-N 3.16Å; S35-Y37 VanDerWaalsContact C-N 3.32Å; S35-Y37 PolarHBondContact O-N 2.95Å; Y37-Y40 PolarHBondContact O-N 3.37Å; Y37-F41 HydrophobicContact CD1-CD2 4.2Å; Y37-F41 AromaticContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CE1-CE2 4.37Å; Y37-F41 VanDerWaalsContact O-CD2 3.25Å; Y37-F41 WeakPolarHBondContact O-CD2 3.32Å; Y37-F41 PolarHBondContact O-N 3.23Å; Y37-S60 PolarHBondContact OH-O 3.25Å; Y37-C63 WeakPolarHBondContact OH-CB 3.42Å; Y37-C63 PolarHBondContact OH-SG 2.88Å; Y37-F64 HydrophobicContact CD1-CB 4.37Å; Y37-F64 AromaticContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CE2 4.45Å; Y37-F64 HydrophobicContact CD1-CG 4.42Å; Y37-F64 AromaticContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CE1-CB 3.6Å; Y37-F64 AromaticContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CG 4.11Å; Y37-F64 HydrophobicContact CE2-CB 4.44Å; Y37-F64 HydrophobicContact CE2-CD2 4.02Å; Y37-F64 AromaticContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CE2 4.3Å; Y37-F64 AromaticContact CZ-CD2 3.91Å; Y37-F64 WeakPolarHBondContact OH-CA 3.4Å; Y37-F64 PolarHBondContact OH-N 3.38Å; Y37-T121 HydrophobicContact CD2-CG2 4.39Å; Y37-T121 HydrophobicContact CE2-CG2 4.32Å; Y37-T121 PolarHBondContact OH-OG1 3.41Å
38V95.8Very high93.7Very high90 Ų9064.8 Ų64.855%0.54532%0.324SS..Hα-helixtrans-60.7-49176.31690000109.8L34 S35 Y40 F41 V42L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 VanDerWaalsContact O-CG2 3.23Å; L34-V38 WeakPolarHBondContact O-CG2 3.26Å; L34-V38 PolarHBondContact O-N 2.86Å; S35-V38 PolarHBondContact O-N 3.06Å; V38-Y40 VanDerWaalsContact C-N 3.34Å; V38-Y40 PolarHBondContact O-N 3.48Å; V38-F41 PolarHBondContact O-N 3.31Å; V38-V42 HydrophobicContact CG1-CG2 4.36Å; V38-V42 WeakPolarHBondContact O-CB 3.17Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.29Å; V38-V42 PolarHBondContact O-N 3.22Å
39V95.4Very high93.1Very high60 Ų6067.1 Ų67.136%0.36433%0.329SS..Hα-helixtrans-60.1-45.3177.1170.80000111.1S35 F41 V42 I43 M122S35-V39 WeakPolarHBondContact O-CB 3.36Å; S35-V39 VanDerWaalsContact O-CG2 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.47Å; S35-V39 PolarHBondContact O-N 3.45Å; V39-F41 PolarHBondContact O-N 3.15Å; V39-V42 PolarHBondContact O-N 3.33Å; V39-I43 HydrophobicContact CG1-CD1 3.61Å; V39-I43 HydrophobicContact CG1-CG1 4.4Å; V39-I43 WeakPolarHBondContact O-CB 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.5Å; V39-I43 PolarHBondContact O-N 2.9Å; V39-M122 HydrophobicContact CG1-CE 4.28Å; V39-M122 HydrophobicContact CG1-SD 4.4Å
40Y93.6Very high92.5Very high8 Ų871.2 Ų71.23%0.03136%0.359CS..Hα-helixtrans-57-50.7176.8172.4-97.7000112.4C36 Y37 V38 T44 F52 T121 S124 L125 W131C36-Y40 WeakPolarHBondContact O-CB 3.37Å; C36-Y40 PolarHBondContact O-N 2.85Å; Y37-Y40 PolarHBondContact O-N 3.37Å; V38-Y40 VanDerWaalsContact C-N 3.34Å; V38-Y40 PolarHBondContact O-N 3.48Å; Y40-T44 WeakPolarHBondContact CE2-OG1 3.06Å; Y40-T44 WeakPolarHBondContact O-CB 3.43Å; Y40-T44 PolarHBondContact O-N 2.99Å; Y40-T44 PolarHBondContact O-OG1 2.85Å; Y40-F52 HydrophobicContact CE1-CE2 4.28Å; Y40-T121 VanDerWaalsContact CB-CG2 3.45Å; Y40-T121 HydrophobicContact CD1-CG2 4.22Å; Y40-T121 HydrophobicContact CD2-CG2 3.93Å; Y40-T121 WeakPolarHBondContact CD2-O 3.38Å; Y40-T121 HydrophobicContact CG-CG2 3.59Å; Y40-S124 WeakPolarHBondContact CE2-OG 3.25Å; Y40-L125 HydrophobicContact CD2-CD2 3.48Å; Y40-L125 VanDerWaalsContact CD2-CD2 3.48Å; Y40-L125 HydrophobicContact CD2-CG 3.81Å; Y40-L125 HydrophobicContact CE2-CD2 3.87Å; Y40-L125 HydrophobicContact CE2-CG 4.42Å; Y40-L125 HydrophobicContact CG-CD2 4.38Å; Y40-W131 HydrophobicContact CE2-CZ2 4.08Å; Y40-W131 AromaticContact CZ-CZ2 3.77Å; Y40-W131 WeakPolarHBondContact OH-CZ2 3.44Å
41F91.9Very high91.8Very high67 Ų6769.3 Ų69.329%0.29436%0.357SS..Hα-helixtrans-65.5-45.2179.9-84.3-65.6000111.6Y37 V38 V39 I43 T44 L45 F52Y37-F41 HydrophobicContact CD1-CD2 4.2Å; Y37-F41 AromaticContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CD1-CE2 3.73Å; Y37-F41 HydrophobicContact CE1-CE2 4.37Å; Y37-F41 VanDerWaalsContact O-CD2 3.25Å; Y37-F41 WeakPolarHBondContact O-CD2 3.32Å; Y37-F41 PolarHBondContact O-N 3.23Å; V38-F41 PolarHBondContact O-N 3.31Å; V39-F41 PolarHBondContact O-N 3.15Å; F41-I43 PolarHBondContact O-N 3.3Å; F41-T44 PolarHBondContact O-N 3.45Å; F41-L45 VanDerWaalsContact O-CB 3.22Å; F41-L45 WeakPolarHBondContact O-CB 3.15Å; F41-L45 WeakPolarHBondContact O-CD1 3.36Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 2.78Å; F41-F52 HydrophobicContact CD1-CZ 4.41Å; F41-F52 HydrophobicContact CE1-CE1 4.43Å; F41-F52 AromaticContact CE1-CZ 3.96Å; F41-F52 HydrophobicContact CE1-CZ 3.96Å
42V94.6Very high91Very high83 Ų8364.3 Ų64.350%0.50334%0.339SS..Hα-helixtrans-57.7-52178.3169.90000110.6V38 V39 T44 L45 T46V38-V42 HydrophobicContact CG1-CG2 4.36Å; V38-V42 WeakPolarHBondContact O-CB 3.17Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.29Å; V38-V42 PolarHBondContact O-N 3.22Å; V39-V42 PolarHBondContact O-N 3.33Å; V42-T44 PolarHBondContact O-N 2.83Å; V42-L45 PolarHBondContact O-N 3.38Å; V42-T46 WeakPolarHBondContact O-CB 3.35Å; V42-T46 PolarHBondContact O-N 2.82Å; V42-T46 PolarHBondContact O-OG1 3.26Å
43I93.5Very high90.5Very high56 Ų5665.2 Ų65.229%0.28735%0.346SS..Hα-helixtrans-64.3-42.8-179.2-67.2172.6000111.2V39 F41 L45 T46 F47 F48 L125V39-I43 HydrophobicContact CG1-CD1 3.61Å; V39-I43 HydrophobicContact CG1-CG1 4.4Å; V39-I43 WeakPolarHBondContact O-CB 3.29Å; V39-I43 WeakPolarHBondContact O-CG1 3.5Å; V39-I43 PolarHBondContact O-N 2.9Å; F41-I43 PolarHBondContact O-N 3.3Å; I43-L45 PolarHBondContact O-N 3.44Å; I43-T46 PolarHBondContact O-N 3.46Å; I43-F47 HydrophobicContact CG2-CD2 4.13Å; I43-F47 PolarHBondContact O-N 3Å; I43-F48 HydrophobicContact CG2-CD2 4.19Å; I43-F48 HydrophobicContact CG2-CE2 3.97Å; I43-L125 HydrophobicContact CB-CD1 4.41Å; I43-L125 HydrophobicContact CB-CD2 4.06Å; I43-L125 HydrophobicContact CD1-CD1 3.81Å; I43-L125 HydrophobicContact CG2-CD1 4.48Å; I43-L125 HydrophobicContact CG2-CD2 3.85Å
44T90.5Very high90.1Very high6 Ų673.3 Ų73.34%0.03738%0.382CS..Hα-helixtrans-65.1-41.1-179.1-59.10000111.7Y40 F41 V42 F48 W49 F52Y40-T44 WeakPolarHBondContact CE2-OG1 3.06Å; Y40-T44 WeakPolarHBondContact O-CB 3.43Å; Y40-T44 PolarHBondContact O-N 2.99Å; Y40-T44 PolarHBondContact O-OG1 2.85Å; F41-T44 PolarHBondContact O-N 3.45Å; V42-T44 PolarHBondContact O-N 2.83Å; T44-F48 HydrophobicContact CG2-CB 4.31Å; T44-F48 CarbonylContact O-C 3.58Å; T44-F48 WeakPolarHBondContact O-CA 3.3Å; T44-F48 PolarHBondContact O-N 3.36Å; T44-W49 PolarHBondContact O-N 2.96Å; T44-F52 HydrophobicContact CG2-CB 4.12Å; T44-F52 HydrophobicContact CG2-CD1 4.36Å; T44-F52 HydrophobicContact CG2-CD2 3.24Å; T44-F52 HydrophobicContact CG2-CE2 3.61Å; T44-F52 HydrophobicContact CG2-CG 3.68Å; T44-F52 HydrophobicContact CG2-CZ 4.29Å
45L89.4Confident89.7Confident80 Ų8077.1 Ų77.142%0.41939%0.391SS..Hα-helixtrans-70.6-36.7178.1-67.2173000112.2F41 V42 I43 W49F41-L45 VanDerWaalsContact O-CB 3.22Å; F41-L45 WeakPolarHBondContact O-CB 3.15Å; F41-L45 WeakPolarHBondContact O-CD1 3.36Å; F41-L45 WeakPolarHBondContact O-CG 3.48Å; F41-L45 PolarHBondContact O-N 2.78Å; V42-L45 PolarHBondContact O-N 3.38Å; I43-L45 PolarHBondContact O-N 3.44Å; L45-W49 HydrophobicContact CD2-CE3 3.58Å; L45-W49 HydrophobicContact CD2-CZ3 3.38Å
46T91.8Very high89.3Confident95 Ų9575.4 Ų75.458%0.58338%0.376SS*.Hα-helixtrans-78.2-41.5-179.1-57.50000113.1V42 I43V42-T46 WeakPolarHBondContact O-CB 3.35Å; V42-T46 PolarHBondContact O-N 2.82Å; V42-T46 PolarHBondContact O-OG1 3.26Å; I43-T46 PolarHBondContact O-N 3.46Å
47F89.6Confident88.9Confident154 Ų15477.6 Ų77.668%0.67539%0.386SS*.Hα-helixtrans-113.2-28.6-170-64-79.4000114.5I43I43-F47 HydrophobicContact CG2-CD2 4.13Å; I43-F47 PolarHBondContact O-N 3Å
48F86.7Confident88.7Confident81 Ų8182.1 Ų82.136%0.35541%0.414SS..  trans-118.520.4-170.2-59.8-71.6000113.8I43 T44 P50 T51 F52I43-F48 HydrophobicContact CG2-CD2 4.19Å; I43-F48 HydrophobicContact CG2-CE2 3.97Å; T44-F48 HydrophobicContact CG2-CB 4.31Å; T44-F48 CarbonylContact O-C 3.58Å; T44-F48 WeakPolarHBondContact O-CA 3.3Å; T44-F48 PolarHBondContact O-N 3.36Å; F48-P50 VanDerWaalsContact C-CD 3.42Å; F48-P50 VanDerWaalsContact C-N 3.35Å; F48-T51 PolarHBondContact O-N 2.88Å; F48-F52 PolarHBondContact O-N 3.25Å; F48-F52 VanDerWaalsContact O-N 3.11Å
49W83.7Confident88.4Confident171 Ų17181 Ų8165%0.64841%0.405SS*.G310 helixtrans-49-46.3-179.1-179.8-94.7000113.8T44 L45 T51 F52T44-W49 PolarHBondContact O-N 2.96Å; L45-W49 HydrophobicContact CD2-CE3 3.58Å; L45-W49 HydrophobicContact CD2-CZ3 3.38Å; W49-T51 VanDerWaalsContact C-N 3.26Å; W49-T51 PolarHBondContact O-N 3.18Å; W49-F52 WeakPolarHBondContact O-CB 3.26Å; W49-F52 PolarHBondContact O-N 3.44Å
50P82.6Confident88.2Confident113 Ų11378.1 Ų78.173%0.73439%0.387SS*.G310 helixtrans-65.8-29.2-179.9-19.333.1000113.2F48 F52F48-P50 VanDerWaalsContact C-CD 3.42Å; F48-P50 VanDerWaalsContact C-N 3.35Å; P50-F52 VanDerWaalsContact C-N 3.35Å
51T79.7Confident88.1Confident52 Ų5282.5 Ų82.532%0.31941%0.411SS..G310 helixtrans-86-10.8-179.3-39.70000112.7F48 W49 T53 Y56F48-T51 PolarHBondContact O-N 2.88Å; W49-T51 VanDerWaalsContact C-N 3.26Å; W49-T51 PolarHBondContact O-N 3.18Å; T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 PolarHBondContact O-OG1 3.47Å; T51-Y56 HydrophobicContact CG2-CE2 4.44Å; T51-Y56 VanDerWaalsContact O-CD2 3.3Å; T51-Y56 WeakPolarHBondContact O-CD2 3.32Å
52F80.5Confident88.1Confident33 Ų3381.4 Ų81.415%0.14542%0.418CS..  trans-75.261.2179.9-154.8-129.8000111.9Y40 F41 T44 F48 W49 P50 I57Y40-F52 HydrophobicContact CE1-CE2 4.28Å; F41-F52 HydrophobicContact CD1-CZ 4.41Å; F41-F52 HydrophobicContact CE1-CE1 4.43Å; F41-F52 AromaticContact CE1-CZ 3.96Å; F41-F52 HydrophobicContact CE1-CZ 3.96Å; T44-F52 HydrophobicContact CG2-CB 4.12Å; T44-F52 HydrophobicContact CG2-CD1 4.36Å; T44-F52 HydrophobicContact CG2-CD2 3.24Å; T44-F52 HydrophobicContact CG2-CE2 3.61Å; T44-F52 HydrophobicContact CG2-CG 3.68Å; T44-F52 HydrophobicContact CG2-CZ 4.29Å; F48-F52 PolarHBondContact O-N 3.25Å; F48-F52 VanDerWaalsContact O-N 3.11Å; W49-F52 WeakPolarHBondContact O-CB 3.26Å; W49-F52 PolarHBondContact O-N 3.44Å; P50-F52 VanDerWaalsContact C-N 3.35Å; F52-I57 HydrophobicContact CD1-CD1 4.01Å; F52-I57 HydrophobicContact CD1-CG1 3.73Å; F52-I57 HydrophobicContact CD2-CG1 4.37Å; F52-I57 HydrophobicContact CE1-CD1 4.1Å; F52-I57 HydrophobicContact CE1-CG1 3.53Å; F52-I57 HydrophobicContact CE2-CG1 4.18Å; F52-I57 HydrophobicContact CG-CG1 4.16Å; F52-I57 HydrophobicContact CZ-CG1 3.77Å
53T85.1Confident88Confident68 Ų6877.5 Ų77.542%0.41739%0.394SS..  trans-69.9156177.8-54.90000110.5T51 R55 Y56 I57T51-T53 PolarHBondContact O-N 3.08Å; T51-T53 PolarHBondContact O-OG1 3.47Å; T53-R55 HydrophobicContact CG2-CG 4.37Å; T53-R55 PolarHBondContact O-N 2.84Å; T53-Y56 PolarHBondContact O-N 3.34Å; T53-I57 PolarHBondContact O-N 2.74Å
54K86.9Confident88Confident175 Ų17578 Ų7876%0.76139%0.394SS*.Hα-helixtrans-41.8-40.6176.8-62.7-179.5-176.9178.20113.8Y56 I57 T58K54-Y56 PolarHBondContact O-N 2.93Å; K54-I57 PolarHBondContact O-N 2.88Å; K54-T58 PolarHBondContact O-N 3.43Å; K54-T58 PolarHBondContact O-OG1 3.18Å; K54-T58 VanDerWaalsContact O-OG1 3.07Å
55R87.3Confident88.1Confident147 Ų14779.3 Ų79.356%0.55541%0.41SS*.Hα-helixtrans-58-44.4178.472.2-173.3-175.5-153.90.3113.5T53 L59T53-R55 HydrophobicContact CG2-CG 4.37Å; T53-R55 PolarHBondContact O-N 2.84Å; R55-L59 VanDerWaalsContact O-CG 3.27Å; R55-L59 WeakPolarHBondContact O-CG 3.25Å; R55-L59 PolarHBondContact O-N 3.44Å
56Y86.7Confident88.2Confident25 Ų2577.5 Ų77.510%0.09841%0.406CS..Hα-helixtrans-75.9-32.8-179.5-62.8-66.3000111.4T51 T53 K54 L59 S60 Q128 W131T51-Y56 HydrophobicContact CG2-CE2 4.44Å; T51-Y56 VanDerWaalsContact O-CD2 3.3Å; T51-Y56 WeakPolarHBondContact O-CD2 3.32Å; T53-Y56 PolarHBondContact O-N 3.34Å; K54-Y56 PolarHBondContact O-N 2.93Å; Y56-L59 PolarHBondContact O-N 3.45Å; Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3Å; Y56-S60 PolarHBondContact O-OG 3.31Å; Y56-S60 VanDerWaalsContact O-OG 3.05Å; Y56-Q128 HydrophobicContact CE1-CB 3.99Å; Y56-Q128 HydrophobicContact CE1-CG 4.18Å; Y56-Q128 PolarHBondContact OH-OE1 2.89Å; Y56-W131 AromaticContact CD1-CD1 3.58Å; Y56-W131 HydrophobicContact CD1-CG 4.38Å; Y56-W131 AromaticContact CD1-NE1 3.63Å; Y56-W131 AromaticContact CE1-CD1 3.75Å
57I88.3Confident88.2Confident61 Ų6173 Ų7331%0.31338%0.378SS..Hα-helixtrans-60-51.8171.6-59.9174.4000109.5F52 T53 K54 L59 S60 L61F52-I57 HydrophobicContact CD1-CD1 4.01Å; F52-I57 HydrophobicContact CD1-CG1 3.73Å; F52-I57 HydrophobicContact CD2-CG1 4.37Å; F52-I57 HydrophobicContact CE1-CD1 4.1Å; F52-I57 HydrophobicContact CE1-CG1 3.53Å; F52-I57 HydrophobicContact CE2-CG1 4.18Å; F52-I57 HydrophobicContact CG-CG1 4.16Å; F52-I57 HydrophobicContact CZ-CG1 3.77Å; T53-I57 PolarHBondContact O-N 2.74Å; K54-I57 PolarHBondContact O-N 2.88Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.88Å; I57-S60 PolarHBondContact O-N 3.12Å; I57-S60 PolarHBondContact O-OG 3.2Å; I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.07Å
58T90.1Very high88.4Confident99 Ų9968.7 Ų68.761%0.60736%0.362SS*.Hα-helixtrans-60.3-42.7178.5-55.60000112.2K54 G62K54-T58 PolarHBondContact O-N 3.43Å; K54-T58 PolarHBondContact O-OG1 3.18Å; K54-T58 VanDerWaalsContact O-OG1 3.07Å; T58-G62 PolarHBondContact O-N 3.3Å
59L89.7Confident88.7Confident67 Ų6767.7 Ų67.735%0.35137%0.369SS..Hα-helixtrans-65.3-42.7177.5-72.7168.5000112.4R55 Y56 I57 G62 C63 W131 L134R55-L59 VanDerWaalsContact O-CG 3.27Å; R55-L59 WeakPolarHBondContact O-CG 3.25Å; R55-L59 PolarHBondContact O-N 3.44Å; Y56-L59 PolarHBondContact O-N 3.45Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.88Å; L59-G62 PolarHBondContact O-N 2.97Å; L59-C63 VanDerWaalsContact O-CB 3.29Å; L59-C63 WeakPolarHBondContact O-CB 3.38Å; L59-C63 PolarHBondContact O-N 3.2Å; L59-W131 HydrophobicContact CB-CD2 4.12Å; L59-W131 HydrophobicContact CB-CE3 3.76Å; L59-W131 HydrophobicContact CB-CZ3 4.09Å; L59-W131 HydrophobicContact CD1-CB 4.16Å; L59-W131 HydrophobicContact CD1-CD2 4.47Å; L59-W131 HydrophobicContact CD1-CG 4.24Å; L59-L134 HydrophobicContact CD2-CD2 4.42Å
60S90.3Very high89.1Confident0 Ų060.2 Ų60.20%034%0.344CS..Hα-helixtrans-66.3-41.4177.767.40000112.3Y37 Y56 I57 C63 F64 W131Y37-S60 PolarHBondContact OH-O 3.25Å; Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.37Å; Y56-S60 PolarHBondContact O-N 3Å; Y56-S60 PolarHBondContact O-OG 3.31Å; Y56-S60 VanDerWaalsContact O-OG 3.05Å; I57-S60 PolarHBondContact O-N 3.12Å; I57-S60 PolarHBondContact O-OG 3.2Å; S60-C63 PolarHBondContact O-N 2.92Å; S60-F64 WeakPolarHBondContact O-CB 3.43Å; S60-F64 PolarHBondContact O-N 3.5Å; S60-W131 VanDerWaalsContact CA-CH2 3.44Å
61L92.3Very high89.6Confident100 Ų10056.4 Ų56.452%0.52432%0.315SS..Hα-helixtrans-66.6-39.8174-69.4176.7000112I57 F64 G65I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.07Å; L61-F64 PolarHBondContact O-N 3.39Å; L61-G65 PolarHBondContact O-N 3.31Å
62G91.1Very high90.3Very high43 Ų4360 Ų6044%0.44333%0.326SS..Hα-helixtrans-63.3-44.817500000112.2T58 L59 F64 G65 A66T58-G62 PolarHBondContact O-N 3.3Å; L59-G62 PolarHBondContact O-N 2.97Å; G62-F64 VanDerWaalsContact C-N 3.32Å; G62-F64 PolarHBondContact O-N 2.83Å; G62-G65 PolarHBondContact O-N 2.94Å; G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.36Å
63C91.6Very high90.8Very high1 Ų162.7 Ų62.71%0.00734%0.338CS..Hα-helixtrans-62.2-40.1174-175.50000111.4Y37 L59 S60 A66 C67 W131 L134Y37-C63 WeakPolarHBondContact OH-CB 3.42Å; Y37-C63 PolarHBondContact OH-SG 2.88Å; L59-C63 VanDerWaalsContact O-CB 3.29Å; L59-C63 WeakPolarHBondContact O-CB 3.38Å; L59-C63 PolarHBondContact O-N 3.2Å; S60-C63 PolarHBondContact O-N 2.92Å; C63-A66 PolarHBondContact O-N 3.03Å; C63-C67 PolarHBondContact O-N 2.82Å; C63-C67 PolarHBondContact O-SG 3.13Å; C63-W131 HydrophobicContact CB-CZ3 3.92Å; C63-L134 HydrophobicContact CB-CD1 3.71Å; C63-L134 HydrophobicContact CB-CD2 4.26Å; C63-L134 VanDerWaalsContact SG-CD1 3.51Å
64F93.4Very high91.1Very high66 Ų6659.4 Ų59.429%0.28932%0.318SS..Hα-helixtrans-65.7-44.1177.2-176.2-99.9000110.9F33 L34 Y37 S60 L61 G62 A66 C67 L68F33-F64 HydrophobicContact CD2-CE2 4.36Å; F33-F64 HydrophobicContact CE2-CD2 4.46Å; F33-F64 AromaticContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CE2 3.8Å; F33-F64 HydrophobicContact CE2-CZ 4.37Å; L34-F64 HydrophobicContact CD2-CE2 4.5Å; Y37-F64 HydrophobicContact CD1-CB 4.37Å; Y37-F64 AromaticContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CD2 3.66Å; Y37-F64 HydrophobicContact CD1-CE2 4.45Å; Y37-F64 HydrophobicContact CD1-CG 4.42Å; Y37-F64 AromaticContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CD2-CD2 3.96Å; Y37-F64 HydrophobicContact CE1-CB 3.6Å; Y37-F64 AromaticContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CD2 3.72Å; Y37-F64 HydrophobicContact CE1-CG 4.11Å; Y37-F64 HydrophobicContact CE2-CB 4.44Å; Y37-F64 HydrophobicContact CE2-CD2 4.02Å; Y37-F64 AromaticContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CD2 3.78Å; Y37-F64 HydrophobicContact CG-CE2 4.3Å; Y37-F64 AromaticContact CZ-CD2 3.91Å; Y37-F64 WeakPolarHBondContact OH-CA 3.4Å; Y37-F64 PolarHBondContact OH-N 3.38Å; S60-F64 WeakPolarHBondContact O-CB 3.43Å; S60-F64 PolarHBondContact O-N 3.5Å; L61-F64 PolarHBondContact O-N 3.39Å; G62-F64 VanDerWaalsContact C-N 3.32Å; G62-F64 PolarHBondContact O-N 2.83Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.47Å; F64-C67 WeakPolarHBondContact O-CB 3.05Å; F64-C67 PolarHBondContact O-N 3.37Å; F64-L68 HydrophobicContact CE1-CD2 4.31Å; F64-L68 VanDerWaalsContact O-CB 3.29Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 2.84Å
65G93.6Very high91.2Very high35 Ų3552.4 Ų52.436%0.36129%0.291SS..Hα-helixtrans-58.5-42.8173.800000112.1L61 G62 L68 A69L61-G65 PolarHBondContact O-N 3.31Å; G62-G65 PolarHBondContact O-N 2.94Å; G65-L68 PolarHBondContact O-N 3.47Å; G65-A69 VanDerWaalsContact O-CB 3.27Å; G65-A69 WeakPolarHBondContact O-CB 3.03Å; G65-A69 PolarHBondContact O-N 3.34Å
66A90.8Very high91.3Very high41 Ų4154 Ų5434%0.33930%0.298SS..Hα-helixtrans-64.7-44.4175.800000112.5G62 C63 F64 L68 A69 A70G62-A66 WeakPolarHBondContact O-CB 3.26Å; G62-A66 PolarHBondContact O-N 3.36Å; C63-A66 PolarHBondContact O-N 3.03Å; F64-A66 VanDerWaalsContact C-N 3.32Å; F64-A66 PolarHBondContact O-N 3.47Å; A66-L68 VanDerWaalsContact C-N 3.33Å; A66-L68 PolarHBondContact O-N 3.34Å; A66-A69 PolarHBondContact O-N 3.39Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.26Å
67C92.1Very high91.2Very high0 Ų054 Ų540%030%0.299CS..Hα-helixtrans-57.3-48.6172.5-690000111.4F33 C63 F64 A69 A70 Y71 C117F33-C67 HydrophobicContact CD2-CB 4.24Å; F33-C67 HydrophobicContact CG-CB 4.47Å; C63-C67 PolarHBondContact O-N 2.82Å; C63-C67 PolarHBondContact O-SG 3.13Å; F64-C67 WeakPolarHBondContact O-CB 3.05Å; F64-C67 PolarHBondContact O-N 3.37Å; C67-A69 VanDerWaalsContact C-N 3.33Å; C67-A69 PolarHBondContact O-N 2.89Å; C67-A70 PolarHBondContact O-N 3.18Å; C67-Y71 WeakPolarHBondContact O-CB 3.46Å; C67-Y71 PolarHBondContact O-N 2.93Å; C67-C117 WeakPolarHBondContact SG-CB 3.28Å
68L94.1Very high91.2Very high64 Ų6451.3 Ų51.334%0.33529%0.286SS..Hα-helixtrans-65.5-40.9-176.8-174.263.2000110.4F64 G65 A66 Y71 K72F64-L68 HydrophobicContact CE1-CD2 4.31Å; F64-L68 VanDerWaalsContact O-CB 3.29Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 2.84Å; G65-L68 PolarHBondContact O-N 3.47Å; A66-L68 VanDerWaalsContact C-N 3.33Å; A66-L68 PolarHBondContact O-N 3.34Å; L68-Y71 PolarHBondContact O-N 3.34Å; L68-K72 HydrophobicContact CD1-CG 4.43Å; L68-K72 HydrophobicContact CG-CG 4.4Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.32Å; L68-K72 WeakPolarHBondContact O-CG 3.09Å; L68-K72 PolarHBondContact O-N 3Å
69A92.9Very high90.8Very high61 Ų6149.8 Ų49.850%0.50428%0.279SS..Hα-helixtrans-61.2-47.3174.100000111.5G65 A66 C67 Y71 K72 F73G65-A69 VanDerWaalsContact O-CB 3.27Å; G65-A69 WeakPolarHBondContact O-CB 3.03Å; G65-A69 PolarHBondContact O-N 3.34Å; A66-A69 PolarHBondContact O-N 3.39Å; C67-A69 VanDerWaalsContact C-N 3.33Å; C67-A69 PolarHBondContact O-N 2.89Å; A69-Y71 PolarHBondContact O-N 2.99Å; A69-K72 PolarHBondContact O-N 3.44Å; A69-F73 WeakPolarHBondContact O-CB 3.13Å; A69-F73 PolarHBondContact O-N 3.31Å
70A92.2Very high90.6Very high14 Ų1448.5 Ų48.512%0.11628%0.275CS..Hα-helixtrans-61.8-42176.200000112.1A66 C67 F73 M74 A113 I114A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.26Å; C67-A70 PolarHBondContact O-N 3.18Å; A70-F73 PolarHBondContact O-N 2.94Å; A70-M74 WeakPolarHBondContact O-CB 3.3Å; A70-M74 PolarHBondContact O-N 3.45Å; A70-A113 HydrophobicContact CB-CB 4.1Å; A70-I114 HydrophobicContact CB-CD1 4.36Å; A70-I114 HydrophobicContact CB-CG1 3.83Å
71Y93.5Very high90Very high32 Ų3251.6 Ų51.613%0.12530%0.297CS..Hα-helixtrans-64.6-42175.5174.9-96.1000112.3L26 R30 F33 C67 L68 A69 M74 S75L26-Y71 HydrophobicContact CB-CE2 4.41Å; L26-Y71 HydrophobicContact CD2-CD2 4.49Å; L26-Y71 HydrophobicContact CD2-CE2 4.04Å; L26-Y71 WeakPolarHBondContact O-CE2 3.48Å; R30-Y71 HydrophobicContact CB-CD2 4.46Å; R30-Y71 HydrophobicContact CB-CE2 3.72Å; R30-Y71 HydrophobicContact CG-CE2 4.34Å; F33-Y71 HydrophobicContact CE1-CD2 4.27Å; F33-Y71 HydrophobicContact CE1-CG 4.17Å; C67-Y71 WeakPolarHBondContact O-CB 3.46Å; C67-Y71 PolarHBondContact O-N 2.93Å; L68-Y71 PolarHBondContact O-N 3.34Å; A69-Y71 PolarHBondContact O-N 2.99Å; Y71-M74 PolarHBondContact O-N 2.82Å; Y71-S75 WeakPolarHBondContact CE1-OG 3.27Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 3Å; Y71-S75 PolarHBondContact O-OG 2.98Å
72K94Very high89.4Confident128 Ų12852.4 Ų52.456%0.55729%0.294SS*.Hα-helixtrans-65.9-42177.1-73-73.5174.5-178.80111.2L68 A69 S75 Y76L68-K72 HydrophobicContact CD1-CG 4.43Å; L68-K72 HydrophobicContact CG-CG 4.4Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.32Å; L68-K72 WeakPolarHBondContact O-CG 3.09Å; L68-K72 PolarHBondContact O-N 3Å; A69-K72 PolarHBondContact O-N 3.44Å; K72-S75 PolarHBondContact O-N 3.38Å; K72-Y76 WeakPolarHBondContact O-CB 3.34Å; K72-Y76 PolarHBondContact O-N 3.23Å
73F90.8Very high88.7Confident89 Ų8952.3 Ų52.339%0.3929%0.289SS..Hα-helixtrans-59.3-47.1173.2177.4-107.8000111.5A69 A70 S75 Y76 M77 L106 A110A69-F73 WeakPolarHBondContact O-CB 3.13Å; A69-F73 PolarHBondContact O-N 3.31Å; A70-F73 PolarHBondContact O-N 2.94Å; F73-S75 PolarHBondContact O-N 3.22Å; F73-Y76 PolarHBondContact O-N 3.49Å; F73-M77 HydrophobicContact CD1-CE 3.55Å; F73-M77 HydrophobicContact CD1-SD 4.22Å; F73-M77 HydrophobicContact CE1-CE 3.24Å; F73-M77 HydrophobicContact CE1-SD 3.51Å; F73-M77 VanDerWaalsContact CE1-SD 3.51Å; F73-M77 HydrophobicContact CE2-CG 4.4Å; F73-M77 HydrophobicContact CE2-SD 4.14Å; F73-M77 HydrophobicContact CG-CE 4.4Å; F73-M77 HydrophobicContact CZ-CE 3.88Å; F73-M77 HydrophobicContact CZ-CG 4.28Å; F73-M77 HydrophobicContact CZ-SD 3.45Å; F73-M77 WeakPolarHBondContact CZ-SD 3.48Å; F73-M77 WeakPolarHBondContact O-CG 3.49Å; F73-M77 PolarHBondContact O-N 2.87Å; F73-L106 HydrophobicContact CE1-CB 4.11Å; F73-L106 HydrophobicContact CZ-CB 4.11Å; F73-L106 HydrophobicContact CZ-CD1 4.29Å; F73-A110 HydrophobicContact CD1-CB 4.01Å; F73-A110 HydrophobicContact CE1-CB 4.48Å
74M90.5Very high88Confident0 Ų057 Ų570%032%0.317CS..Hα-helixtrans-61-42.7175.1-169.5-175.1-62.600112.4T25 L26 Y29 A70 Y71 Y76 M77 A78 L99 A110 K111 I114T25-M74 HydrophobicContact CG2-SD 4.46Å; L26-M74 HydrophobicContact CD2-CB 4.07Å; L26-M74 HydrophobicContact CD2-CG 3.67Å; L26-M74 HydrophobicContact CD2-SD 3.83Å; Y29-M74 HydrophobicContact CD2-SD 4.37Å; A70-M74 WeakPolarHBondContact O-CB 3.3Å; A70-M74 PolarHBondContact O-N 3.45Å; Y71-M74 PolarHBondContact O-N 2.82Å; M74-Y76 VanDerWaalsContact C-N 3.34Å; M74-Y76 PolarHBondContact O-N 3.28Å; M74-M77 PolarHBondContact O-N 3.48Å; M74-A78 WeakPolarHBondContact O-CB 3.2Å; M74-A78 PolarHBondContact O-N 2.79Å; M74-A78 VanDerWaalsContact O-N 3.07Å; M74-L99 HydrophobicContact CG-CD1 3.38Å; M74-L99 HydrophobicContact CG-CD2 3.72Å; M74-L99 HydrophobicContact CG-CG 4.17Å; M74-L99 HydrophobicContact SD-CD1 4Å; M74-A110 HydrophobicContact CB-CB 4.31Å; M74-A110 HydrophobicContact CE-CB 3.76Å; M74-K111 HydrophobicContact CE-CB 4.18Å; M74-K111 HydrophobicContact CE-CG 3.46Å; M74-K111 VanDerWaalsContact CE-CG 3.46Å; M74-K111 HydrophobicContact SD-CG 4.4Å; M74-I114 HydrophobicContact CE-CD1 3.75Å
75S90.6Very high87.1Confident27 Ų2757 Ų5719%0.18932%0.32CS..Hα-helixtrans-65.2-37.8177.9-580000112.2Y71 K72 F73 S79Y71-S75 WeakPolarHBondContact CE1-OG 3.27Å; Y71-S75 WeakPolarHBondContact O-CB 3.35Å; Y71-S75 PolarHBondContact O-N 3Å; Y71-S75 PolarHBondContact O-OG 2.98Å; K72-S75 PolarHBondContact O-N 3.38Å; F73-S75 PolarHBondContact O-N 3.22Å; S75-S79 PolarHBondContact O-N 3.45Å; S75-S79 PolarHBondContact O-OG 3.16Å
76Y89.6Confident86.3Confident181 Ų18165.2 Ų65.271%0.7135%0.349SS*.Hα-helixtrans-66-45.5176.2177.1-100000111.2K72 F73 M74 A78 S79K72-Y76 WeakPolarHBondContact O-CB 3.34Å; K72-Y76 PolarHBondContact O-N 3.23Å; F73-Y76 PolarHBondContact O-N 3.49Å; M74-Y76 VanDerWaalsContact C-N 3.34Å; M74-Y76 PolarHBondContact O-N 3.28Å; Y76-A78 VanDerWaalsContact C-N 3.3Å; Y76-A78 PolarHBondContact O-N 2.84Å; Y76-S79 VanDerWaalsContact O-CB 3.29Å; Y76-S79 WeakPolarHBondContact O-CB 3.5Å; Y76-S79 PolarHBondContact O-N 3.28Å; Y76-S79 PolarHBondContact O-OG 2.85Å
77M84.8Confident85.7Confident24 Ų2474.3 Ų74.312%0.11838%0.375CS..Hα-helixtrans-62.8-36.5177.7-71.6-170.1-59.500112.8F73 M74 S79 L97 L99 L106F73-M77 HydrophobicContact CD1-CE 3.55Å; F73-M77 HydrophobicContact CD1-SD 4.22Å; F73-M77 HydrophobicContact CE1-CE 3.24Å; F73-M77 HydrophobicContact CE1-SD 3.51Å; F73-M77 VanDerWaalsContact CE1-SD 3.51Å; F73-M77 HydrophobicContact CE2-CG 4.4Å; F73-M77 HydrophobicContact CE2-SD 4.14Å; F73-M77 HydrophobicContact CG-CE 4.4Å; F73-M77 HydrophobicContact CZ-CE 3.88Å; F73-M77 HydrophobicContact CZ-CG 4.28Å; F73-M77 HydrophobicContact CZ-SD 3.45Å; F73-M77 WeakPolarHBondContact CZ-SD 3.48Å; F73-M77 WeakPolarHBondContact O-CG 3.49Å; F73-M77 PolarHBondContact O-N 2.87Å; M74-M77 PolarHBondContact O-N 3.48Å; M77-S79 VanDerWaalsContact C-N 3.29Å; M77-S79 PolarHBondContact O-N 3.43Å; M77-L97 HydrophobicContact CB-CB 4.25Å; M77-L97 HydrophobicContact CB-CD2 4.22Å; M77-L97 HydrophobicContact CG-CD2 4.38Å; M77-L97 WeakPolarHBondContact O-CB 3.23Å; M77-L97 PolarHBondContact O-N 3.25Å; M77-L97 HydrophobicContact SD-CD2 3.84Å; M77-L99 HydrophobicContact CB-CD2 4.17Å; M77-L99 HydrophobicContact CE-CD2 3.98Å; M77-L106 HydrophobicContact CE-CB 4.39Å; M77-L106 HydrophobicContact SD-CB 3.88Å
78A86.3Confident84.9Confident5 Ų577 Ų774%0.04140%0.403CS..THydrogen-bonded Turntrans-88.914.1178.300000114.2N22 L26 M74 Y76 P80 L99N22-A78 HydrophobicContact CB-CB 4.04Å; L26-A78 HydrophobicContact CD1-CB 4.06Å; M74-A78 WeakPolarHBondContact O-CB 3.2Å; M74-A78 PolarHBondContact O-N 2.79Å; M74-A78 VanDerWaalsContact O-N 3.07Å; Y76-A78 VanDerWaalsContact C-N 3.3Å; Y76-A78 PolarHBondContact O-N 2.84Å; A78-P80 VanDerWaalsContact O-CD 3.3Å; A78-P80 WeakPolarHBondContact O-CD 3.46Å; A78-L99 HydrophobicContact CB-CD1 3.56Å; A78-L99 HydrophobicContact CB-CD2 4.39Å; A78-L99 HydrophobicContact CB-CG 3.88Å
79S83.7Confident84Confident67 Ų6778.1 Ų78.147%0.46941%0.413SS..  trans-71.3118.7-179.8-71.90000110.2S75 Y76 M77S75-S79 PolarHBondContact O-N 3.45Å; S75-S79 PolarHBondContact O-OG 3.16Å; Y76-S79 VanDerWaalsContact O-CB 3.29Å; Y76-S79 WeakPolarHBondContact O-CB 3.5Å; Y76-S79 PolarHBondContact O-N 3.28Å; Y76-S79 PolarHBondContact O-OG 2.85Å; M77-S79 VanDerWaalsContact C-N 3.29Å; M77-S79 PolarHBondContact O-N 3.43Å
80P84.1Confident83Confident40 Ų4084.9 Ų84.926%0.2643%0.425SS..  trans-74.1148.5-179.331.8-38.2000111.8A78 Y82 L92 D94A78-P80 VanDerWaalsContact O-CD 3.3Å; A78-P80 WeakPolarHBondContact O-CD 3.46Å; P80-Y82 HydrophobicContact CB-CE2 3.97Å; P80-Y82 HydrophobicContact CG-CE2 3.53Å; P80-Y82 VanDerWaalsContact CG-OH 3.31Å; P80-Y82 WeakPolarHBondContact CG-OH 3.46Å; P80-L92 HydrophobicContact CB-CD1 3.52Å; P80-D94 CarbonylContact C-O 3.6Å; P80-D94 WeakPolarHBondContact CA-O 3.38Å
81S78.8Confident82.2Confident66 Ų6688.6 Ų88.646%0.46244%0.44SS..EExtended strand (participates in β ladder)trans-104.1129.2167.7-164.30000110.5V93 D94S81-V93 PolarHBondContact O-N 2.85Å; S81-D94 PolarHBondContact N-O 3.46Å; S81-D94 PolarHBondContact O-N 3.28Å
82Y78.2Confident81.4Confident117 Ų11788.4 Ų88.446%0.45944%0.441SS..EExtended strand (participates in β ladder)trans-111132178.1-57.9-82.7000109.2H19 P80 Q91 L92H19-Y82 PolarHBondContact NE2-OH 3.45Å; P80-Y82 HydrophobicContact CB-CE2 3.97Å; P80-Y82 HydrophobicContact CG-CE2 3.53Å; P80-Y82 VanDerWaalsContact CG-OH 3.31Å; P80-Y82 WeakPolarHBondContact CG-OH 3.46Å; Y82-Q91 CarbonylContact C-O 3.14Å; Y82-Q91 WeakPolarHBondContact CA-O 3.32Å; Y82-L92 HydrophobicContact CD1-CB 4.21Å; Y82-L92 HydrophobicContact CD1-CD1 4.02Å; Y82-L92 HydrophobicContact CE1-CB 4.19Å; Y82-L92 HydrophobicContact CE1-CD1 3.61Å
83A77.7Confident80.6Confident41 Ų4186.3 Ų86.334%0.33944%0.439SS..EExtended strand (participates in β ladder)trans-104.5151166.100000110.4Q91 V93A83-Q91 PolarHBondContact N-O 3.37Å; A83-Q91 PolarHBondContact O-N 3.38Å; A83-V93 HydrophobicContact CB-CB 4.34Å; A83-V93 HydrophobicContact CB-CG2 3.27Å
84V77.2Confident80Confident98 Ų9885.8 Ų85.859%0.59444%0.44SS*.EExtended strand (participates in β ladder)trans-90.7119.5174.4-177.70000107.4R90V84-R90 HydrophobicContact CG2-CG 4.4Å
85N73.6Confident79.4Confident68 Ų6885.8 Ų85.836%0.36444%0.44SS..  trans-73.6166.9173.2-76.3-17.9000111.4R87 G88 T89 Q91N85-R87 PolarHBondContact O-N 3.38Å; N85-G88 WeakPolarHBondContact O-CA 3.36Å; N85-G88 PolarHBondContact O-N 2.91Å; N85-T89 PolarHBondContact N-O 3.19Å; N85-Q91 PolarHBondContact ND2-OE1 2.83Å
86E77.2Confident79Confident206 Ų20685.4 Ų85.496%0.96344%0.44SS*.THydrogen-bonded Turntrans-50.8-26174.7-60.2175.2179.200113.8G88E86-G88 VanDerWaalsContact C-N 3.28Å; E86-G88 PolarHBondContact O-N 2.89Å
87R77.5Confident78.5Confident232 Ų23280.9 Ų80.988%0.87543%0.428SS*.THydrogen-bonded Turntrans-83.28.3175.2-62-173-177.7-157.30.2114.5N85 T89N85-R87 PolarHBondContact O-N 3.38Å; R87-T89 PolarHBondContact O-N 3.46Å
88G76.4Confident78.4Confident58 Ų5880.3 Ų80.360%0.59843%0.425SS*.SBendtrans69.77-176.400000115N85 E86N85-G88 WeakPolarHBondContact O-CA 3.36Å; N85-G88 PolarHBondContact O-N 2.91Å; E86-G88 VanDerWaalsContact C-N 3.28Å; E86-G88 PolarHBondContact O-N 2.89Å
89T75.1Confident78.2Confident87 Ų8780.3 Ų80.353%0.53443%0.425SS..  trans-90.5133.9-179.1-50.30000110.5N85 R87 Q91N85-T89 PolarHBondContact N-O 3.19Å; R87-T89 PolarHBondContact O-N 3.46Å; T89-Q91 PolarHBondContact O-N 3.4Å
90R72.4Confident78.1Confident202 Ų20280.1 Ų80.176%0.76242%0.418SS*.EExtended strand (participates in β ladder)trans-71.3110.8173.1-73.3-178.1177.4159.80.1109.8V84V84-R90 HydrophobicContact CG2-CG 4.4Å
91Q74.1Confident77.4Confident93 Ų9381.5 Ų81.544%0.43542%0.423SS..EExtended strand (participates in β ladder)trans-102.3136.7171.3-178.6167.5-20.400109.6Y82 A83 N85 T89 V93Y82-Q91 CarbonylContact C-O 3.14Å; Y82-Q91 WeakPolarHBondContact CA-O 3.32Å; A83-Q91 PolarHBondContact N-O 3.37Å; A83-Q91 PolarHBondContact O-N 3.38Å; N85-Q91 PolarHBondContact ND2-OE1 2.83Å; T89-Q91 PolarHBondContact O-N 3.4Å; Q91-V93 PolarHBondContact O-N 3.33Å
92L76.7Confident76.6Confident27 Ų2780.6 Ų80.614%0.14142%0.423CS..EExtended strand (participates in β ladder)trans-64.4117.6169.7-176.775.4000108.4E15 K16 H19 P80 Y82 D94E15-L92 HydrophobicContact CB-CD2 4.23Å; E15-L92 WeakPolarHBondContact O-CD2 3.48Å; K16-L92 HydrophobicContact CG-CD2 4.32Å; H19-L92 HydrophobicContact CB-CD2 3.72Å; P80-L92 HydrophobicContact CB-CD1 3.52Å; Y82-L92 HydrophobicContact CD1-CB 4.21Å; Y82-L92 HydrophobicContact CD1-CD1 4.02Å; Y82-L92 HydrophobicContact CE1-CB 4.19Å; Y82-L92 HydrophobicContact CE1-CD1 3.61Å; L92-D94 WeakPolarHBondContact CD1-O 3.14Å
93V76.9Confident75.7Confident84 Ų8480.7 Ų80.751%0.50944%0.441SS..EExtended strand (participates in β ladder)trans-99.3-38.1176.9171.90000110.8S81 A83 Q91S81-V93 PolarHBondContact O-N 2.85Å; A83-V93 HydrophobicContact CB-CB 4.34Å; A83-V93 HydrophobicContact CB-CG2 3.27Å; Q91-V93 PolarHBondContact O-N 3.33Å
94D77.9Confident75.1Confident79 Ų7981.3 Ų81.342%0.42245%0.451SS..EExtended strand (participates in β ladder)trans-138.1124.2-179-176.1-9.5000108.3P80 S81 L92 G96P80-D94 CarbonylContact C-O 3.6Å; P80-D94 WeakPolarHBondContact CA-O 3.38Å; S81-D94 PolarHBondContact N-O 3.46Å; S81-D94 PolarHBondContact O-N 3.28Å; L92-D94 WeakPolarHBondContact CD1-O 3.14Å; D94-G96 PolarHBondContact O-N 2.92Å; D94-G96 WeakPolarHBondContact OD1-CA 3.4Å; D94-G96 PolarHBondContact OD1-N 2.85Å
95A78.4Confident75Confident0 Ų078.2 Ų78.20%044%0.439CS..  trans-71.5-8.3177.500000113.8E15 I18 H19E15-A95 HydrophobicContact CB-CB 4.41Å; E15-A95 VanDerWaalsContact O-CB 3.25Å; E15-A95 WeakPolarHBondContact O-CB 3.38Å; E15-A95 VanDerWaalsContact OE2-CB 3.25Å; E15-A95 WeakPolarHBondContact OE2-CB 3.27Å; E15-A95 PolarHBondContact OE2-N 3.39Å; I18-A95 HydrophobicContact CB-CB 3.79Å; I18-A95 HydrophobicContact CG2-CB 3.63Å; H19-A95 HydrophobicContact CB-CB 3.96Å
96G82.4Confident75.3Confident18 Ų1879.9 Ų79.919%0.18645%0.448CS..  trans83-173.8-166.200000111.1D94 D98D94-G96 PolarHBondContact O-N 2.92Å; D94-G96 WeakPolarHBondContact OD1-CA 3.4Å; D94-G96 PolarHBondContact OD1-N 2.85Å; G96-D98 PolarHBondContact O-N 3.33Å
97L80.2Confident75.6Confident87 Ų8770.3 Ų70.346%0.45540%0.404SS..SBendtrans-64.6123.2176.9-169.273000109.3N22 M77 L99N22-L97 PolarHBondContact ND2-O 2.9Å; M77-L97 HydrophobicContact CB-CB 4.25Å; M77-L97 HydrophobicContact CB-CD2 4.22Å; M77-L97 HydrophobicContact CG-CD2 4.38Å; M77-L97 WeakPolarHBondContact O-CB 3.23Å; M77-L97 PolarHBondContact O-N 3.25Å; M77-L97 HydrophobicContact SD-CD2 3.84Å; L97-L99 PolarHBondContact O-N 3.48Å; L97-L99 VanDerWaalsContact O-N 3.11Å
98D82.5Confident76Confident12 Ų1262.4 Ų62.46%0.06438%0.377CS..  trans-63.1115.5171-176.4-18.1000108.1K13 I18 G96 N100 I101K13-D98 IonicContact NZ-OD2 2.74Å; I18-D98 HydrophobicContact CG2-CB 3.55Å; G96-D98 PolarHBondContact O-N 3.33Å; D98-N100 PolarHBondContact O-N 2.89Å; D98-N100 WeakPolarHBondContact OD1-CA 3.39Å; D98-N100 WeakPolarHBondContact OD1-CB 3.32Å; D98-N100 PolarHBondContact OD1-N 2.97Å; D98-I101 HydrophobicContact CB-CB 4.36Å; D98-I101 HydrophobicContact CB-CD1 3.77Å; D98-I101 HydrophobicContact CB-CG1 3.65Å; D98-I101 HydrophobicContact CB-CG2 4.02Å; D98-I101 VanDerWaalsContact CG-CG2 3.49Å; D98-I101 VanDerWaalsContact O-CG1 3.29Å; D98-I101 WeakPolarHBondContact O-CG1 3.38Å; D98-I101 PolarHBondContact OD1-N 3.46Å; D98-I101 WeakPolarHBondContact OD2-CG2 3.38Å
99L82.2Confident76.5Confident5 Ų562.3 Ų62.33%0.02636%0.361CS..SBendtrans-75.3-16.3-178.7-65.4172.8000111.7N22 L26 M74 M77 A78 L97 K111N22-L99 WeakPolarHBondContact OD1-CB 3.44Å; N22-L99 PolarHBondContact OD1-N 2.85Å; L26-L99 HydrophobicContact CD2-CD1 4.29Å; L26-L99 HydrophobicContact CG-CD1 4.23Å; M74-L99 HydrophobicContact CG-CD1 3.38Å; M74-L99 HydrophobicContact CG-CD2 3.72Å; M74-L99 HydrophobicContact CG-CG 4.17Å; M74-L99 HydrophobicContact SD-CD1 4Å; M77-L99 HydrophobicContact CB-CD2 4.17Å; M77-L99 HydrophobicContact CE-CD2 3.98Å; A78-L99 HydrophobicContact CB-CD1 3.56Å; A78-L99 HydrophobicContact CB-CD2 4.39Å; A78-L99 HydrophobicContact CB-CG 3.88Å; L97-L99 PolarHBondContact O-N 3.48Å; L97-L99 VanDerWaalsContact O-N 3.11Å; L99-K111 WeakPolarHBondContact O-CE 3.15Å; L99-K111 PolarHBondContact O-NZ 2.96Å
100N80.6Confident77.1Confident63 Ų6358.4 Ų58.434%0.33734%0.338SS..SBendtrans-103.1-5.1-173.1-64.7-27000113.5T25 D98 K111T25-N100 PolarHBondContact OG1-ND2 3.45Å; T25-N100 PolarHBondContact OG1-OD1 3.06Å; D98-N100 PolarHBondContact O-N 2.89Å; D98-N100 WeakPolarHBondContact OD1-CA 3.39Å; D98-N100 WeakPolarHBondContact OD1-CB 3.32Å; D98-N100 PolarHBondContact OD1-N 2.97Å; N100-K111 PolarHBondContact OD1-NZ 3Å
101I70.5Confident78.1Confident69 Ų6950.1 Ų50.135%0.35431%0.308SS..SBendtrans-84.6137.717357.1173.2000111.7D98D98-I101 HydrophobicContact CB-CB 4.36Å; D98-I101 HydrophobicContact CB-CD1 3.77Å; D98-I101 HydrophobicContact CB-CG1 3.65Å; D98-I101 HydrophobicContact CB-CG2 4.02Å; D98-I101 VanDerWaalsContact CG-CG2 3.49Å; D98-I101 VanDerWaalsContact O-CG1 3.29Å; D98-I101 WeakPolarHBondContact O-CG1 3.38Å; D98-I101 PolarHBondContact OD1-N 3.46Å; D98-I101 WeakPolarHBondContact OD2-CG2 3.38Å
102G60.3Low78.9Confident46 Ų4648.4 Ų48.447%0.47430%0.301SS..SBendtrans74.7124.5167.800000116.9G104G102-G104 PolarHBondContact O-N 3.46Å
103S59.3Low79.5Confident120 Ų12048.2 Ų48.284%0.83930%0.304SS*.THydrogen-bonded Turntrans-70.2115.8165.855.30000110.3E108S103-E108 VanDerWaalsContact CA-OE2 3.23Å; S103-E108 WeakPolarHBondContact CA-OE2 3.21Å
104G64.9Low80.3Confident53 Ų5344.2 Ų44.255%0.54628%0.28SS..THydrogen-bonded Turntrans112.11.1175.600000115.4G102 E108G102-G104 PolarHBondContact O-N 3.46Å; G104-E108 PolarHBondContact N-OE2 3.18Å
105G76Confident81.1Confident33 Ų3343.2 Ų43.234%0.3427%0.274SS..  trans-71.2163.5179.900000114.2G107 E108 Q109G105-G107 PolarHBondContact O-N 2.84Å; G105-E108 PolarHBondContact O-N 3.24Å; G105-Q109 PolarHBondContact O-N 3.35Å
106L79.5Confident81.7Confident103 Ų10346.9 Ų46.954%0.53929%0.292SS..Hα-helixtrans-56.8-32.1174.4-68.5172.7000112.4F73 M77 Q109 A110F73-L106 HydrophobicContact CE1-CB 4.11Å; F73-L106 HydrophobicContact CZ-CB 4.11Å; F73-L106 HydrophobicContact CZ-CD1 4.29Å; M77-L106 HydrophobicContact CE-CB 4.39Å; M77-L106 HydrophobicContact SD-CB 3.88Å; L106-Q109 PolarHBondContact O-N 2.98Å; L106-A110 PolarHBondContact O-N 3.38Å; L106-A110 VanDerWaalsContact O-N 3.12Å
107G84.2Confident82.2Confident5 Ų546 Ų465%0.05228%0.283CS..Hα-helixtrans-62.1-43.1174.300000112.9G105 A110 K111G105-G107 PolarHBondContact O-N 2.84Å; G107-A110 PolarHBondContact O-N 3.24Å; G107-K111 WeakPolarHBondContact O-CG 3.27Å; G107-K111 PolarHBondContact O-N 2.86Å
108E86.5Confident82.8Confident66 Ų6642.1 Ų42.131%0.30826%0.263SS..Hα-helixtrans-67.1-43.3177.2-175178.4169.300111.7S103 G104 G105 A110 K111 D112S103-E108 VanDerWaalsContact CA-OE2 3.23Å; S103-E108 WeakPolarHBondContact CA-OE2 3.21Å; G104-E108 PolarHBondContact N-OE2 3.18Å; G105-E108 PolarHBondContact O-N 3.24Å; E108-A110 PolarHBondContact O-N 3.46Å; E108-K111 WeakPolarHBondContact O-CA 3.43Å; E108-K111 WeakPolarHBondContact O-CB 3.19Å; E108-K111 PolarHBondContact O-N 3.39Å; E108-D112 PolarHBondContact O-N 3.47Å
109Q85.3Confident83.3Confident56 Ų5645.9 Ų45.926%0.26228%0.282SS..Hα-helixtrans-58.6-37.2176.1-62.2-57.8-3900111.8G105 L106 A113G105-Q109 PolarHBondContact O-N 3.35Å; L106-Q109 PolarHBondContact O-N 2.98Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 3.24Å
110A89.2Confident83.8Confident6 Ų645.9 Ų45.95%0.0528%0.283CS..Hα-helixtrans-68.3-38.9174.500000112.5F73 M74 L106 G107 E108 A113 I114F73-A110 HydrophobicContact CD1-CB 4.01Å; F73-A110 HydrophobicContact CE1-CB 4.48Å; M74-A110 HydrophobicContact CB-CB 4.31Å; M74-A110 HydrophobicContact CE-CB 3.76Å; L106-A110 PolarHBondContact O-N 3.38Å; L106-A110 VanDerWaalsContact O-N 3.12Å; G107-A110 PolarHBondContact O-N 3.24Å; E108-A110 PolarHBondContact O-N 3.46Å; A110-A113 PolarHBondContact O-N 3.07Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.26Å; A110-I114 VanDerWaalsContact O-N 3.16Å
111K91.7Very high84.4Confident28 Ų2842.9 Ų42.912%0.12227%0.267CS..Hα-helixtrans-63.1-47.7174.8-69.3175.2-164.3179.30111.3Y29 M74 L99 N100 G107 E108 A113 I114 I115Y29-K111 HydrophobicContact CD2-CG 4.44Å; Y29-K111 HydrophobicContact CE1-CB 3.89Å; Y29-K111 HydrophobicContact CE1-CG 4.12Å; Y29-K111 HydrophobicContact CE2-CB 4.35Å; Y29-K111 HydrophobicContact CE2-CD 3.98Å; Y29-K111 HydrophobicContact CE2-CG 3.72Å; Y29-K111 WeakPolarHBondContact OH-CB 3.42Å; M74-K111 HydrophobicContact CE-CB 4.18Å; M74-K111 HydrophobicContact CE-CG 3.46Å; M74-K111 VanDerWaalsContact CE-CG 3.46Å; M74-K111 HydrophobicContact SD-CG 4.4Å; L99-K111 WeakPolarHBondContact O-CE 3.15Å; L99-K111 PolarHBondContact O-NZ 2.96Å; N100-K111 PolarHBondContact OD1-NZ 3Å; G107-K111 WeakPolarHBondContact O-CG 3.27Å; G107-K111 PolarHBondContact O-N 2.86Å; E108-K111 WeakPolarHBondContact O-CA 3.43Å; E108-K111 WeakPolarHBondContact O-CB 3.19Å; E108-K111 PolarHBondContact O-N 3.39Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.12Å; K111-I114 PolarHBondContact O-N 3.01Å; K111-I115 WeakPolarHBondContact O-CG1 3.26Å; K111-I115 PolarHBondContact O-N 3.34Å
112D91.1Very high85.4Confident56 Ų5643 Ų4330%0.29927%0.267SS..Hα-helixtrans-59-44.7177-81.10.6000110.7E108 I114 I115 M116E108-D112 PolarHBondContact O-N 3.47Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.4Å; D112-I115 PolarHBondContact O-N 3.49Å; D112-M116 VanDerWaalsContact O-CB 3.27Å; D112-M116 WeakPolarHBondContact O-CB 3.36Å; D112-M116 WeakPolarHBondContact O-CG 3.47Å; D112-M116 PolarHBondContact O-N 3.36Å
113A90.4Very high87Confident24 Ų2443.5 Ų43.520%0.19826%0.258CS..Hα-helixtrans-58.3-44.5177.100000112.1A70 Q109 A110 K111 C117A70-A113 HydrophobicContact CB-CB 4.1Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 3.24Å; A110-A113 PolarHBondContact O-N 3.07Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.12Å; A113-C117 WeakPolarHBondContact O-CB 3.42Å; A113-C117 PolarHBondContact O-N 3.48Å; A113-C117 PolarHBondContact O-SG 2.9Å
114I93.5Very high88.5Confident0 Ų038.1 Ų38.10%022%0.221CC..Hα-helixtrans-67.3-43.7178.9-63.2166.9000111.2Y29 F33 A70 M74 A110 K111 D112 C117 S118Y29-I114 HydrophobicContact CD1-CB 4.08Å; Y29-I114 HydrophobicContact CD1-CD1 4.29Å; Y29-I114 HydrophobicContact CD1-CG2 3.88Å; Y29-I114 HydrophobicContact CG-CD1 4.48Å; F33-I114 HydrophobicContact CB-CG2 3.94Å; F33-I114 HydrophobicContact CD1-CG2 4.38Å; A70-I114 HydrophobicContact CB-CD1 4.36Å; A70-I114 HydrophobicContact CB-CG1 3.83Å; M74-I114 HydrophobicContact CE-CD1 3.75Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 3.26Å; A110-I114 VanDerWaalsContact O-N 3.16Å; K111-I114 PolarHBondContact O-N 3.01Å; D112-I114 VanDerWaalsContact C-N 3.33Å; D112-I114 PolarHBondContact O-N 3.4Å; I114-C117 PolarHBondContact O-N 2.92Å; I114-S118 WeakPolarHBondContact O-CB 3.44Å; I114-S118 PolarHBondContact O-N 3.37Å; I114-S118 PolarHBondContact O-OG 3.03Å
115I93.5Very high89.6Confident58 Ų5837 Ų3730%0.29720%0.202SC..Hα-helixtrans-63.1-47.7178.1-72.4163.6000110.2Y29 L32 K111 D112 C117 S118 L119Y29-I115 HydrophobicContact CE1-CD1 3.8Å; Y29-I115 HydrophobicContact CE1-CG1 3.78Å; L32-I115 HydrophobicContact CD2-CG1 4.16Å; K111-I115 WeakPolarHBondContact O-CG1 3.26Å; K111-I115 PolarHBondContact O-N 3.34Å; D112-I115 PolarHBondContact O-N 3.49Å; I115-C117 PolarHBondContact O-N 2.88Å; I115-S118 PolarHBondContact O-N 3.25Å; I115-L119 HydrophobicContact CG2-CD1 3.82Å; I115-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.2Å
116M91.9Very high90.3Very high76 Ų7641.6 Ų41.637%0.37422%0.218SC..Hα-helixtrans-60.3-46.1179.8-70.8-64.3-84.100111D112 S118 L119 V120 I136D112-M116 VanDerWaalsContact O-CB 3.27Å; D112-M116 WeakPolarHBondContact O-CB 3.36Å; D112-M116 WeakPolarHBondContact O-CG 3.47Å; D112-M116 PolarHBondContact O-N 3.36Å; M116-S118 VanDerWaalsContact C-N 3.35Å; M116-S118 PolarHBondContact O-N 3.4Å; M116-L119 PolarHBondContact O-N 2.79Å; M116-V120 WeakPolarHBondContact O-CB 3.29Å; M116-V120 VanDerWaalsContact O-CG2 3.25Å; M116-V120 WeakPolarHBondContact O-CG2 3.38Å; M116-V120 PolarHBondContact O-N 3.49Å; M116-I136 HydrophobicContact CE-CG2 4.32Å
117C92.5Very high90.7Very high1 Ų141.1 Ų41.11%0.00721%0.212CC..Hα-helixtrans-62.4-42.2176-67.30000112.3C67 A113 I114 I115 L119 V120 T121 I137C67-C117 WeakPolarHBondContact SG-CB 3.28Å; A113-C117 WeakPolarHBondContact O-CB 3.42Å; A113-C117 PolarHBondContact O-N 3.48Å; A113-C117 PolarHBondContact O-SG 2.9Å; I114-C117 PolarHBondContact O-N 2.92Å; I115-C117 PolarHBondContact O-N 2.88Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.19Å; C117-V120 PolarHBondContact O-N 2.77Å; C117-T121 WeakPolarHBondContact O-CB 3.34Å; C117-T121 PolarHBondContact O-N 2.95Å; C117-T121 PolarHBondContact O-OG1 2.92Å; C117-T121 VanDerWaalsContact O-OG1 3.06Å; C117-I137 WeakPolarHBondContact SG-CD1 3.43Å
118S93.3Very high90.5Very high5 Ų544.3 Ų44.34%0.03523%0.226CC..Hα-helixtrans-62.6-41.8178.4-56.50000111.3I114 I115 M116 T121 M122I114-S118 WeakPolarHBondContact O-CB 3.44Å; I114-S118 PolarHBondContact O-N 3.37Å; I114-S118 PolarHBondContact O-OG 3.03Å; I115-S118 PolarHBondContact O-N 3.25Å; M116-S118 VanDerWaalsContact C-N 3.35Å; M116-S118 PolarHBondContact O-N 3.4Å; S118-T121 PolarHBondContact O-N 3.48Å; S118-M122 WeakPolarHBondContact O-CG 3.48Å; S118-M122 PolarHBondContact O-N 2.86Å
119L93.2Very high90.5Very high90 Ų9049.2 Ų49.247%0.47124%0.243SC..Hα-helixtrans-63.9-45.9174.3-73.5173.4000112I115 M116 C117 T121 M122 L123I115-L119 HydrophobicContact CG2-CD1 3.82Å; I115-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.47Å; I115-L119 PolarHBondContact O-N 3.2Å; M116-L119 PolarHBondContact O-N 2.79Å; C117-L119 VanDerWaalsContact C-N 3.33Å; C117-L119 PolarHBondContact O-N 3.19Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3.06Å; L119-M122 PolarHBondContact O-N 2.92Å; L119-L123 WeakPolarHBondContact O-CB 3.31Å; L119-L123 VanDerWaalsContact O-CG 3.3Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 2.69Å
120V92.8Very high90.6Very high5 Ų549.9 Ų49.93%0.0325%0.245CC..Hα-helixtrans-58.8-45.6176.2169.70000110.5M116 C117 M122 L123 S124 W131 L133 L134M116-V120 WeakPolarHBondContact O-CB 3.29Å; M116-V120 VanDerWaalsContact O-CG2 3.25Å; M116-V120 WeakPolarHBondContact O-CG2 3.38Å; M116-V120 PolarHBondContact O-N 3.49Å; C117-V120 PolarHBondContact O-N 2.77Å; V120-M122 PolarHBondContact O-N 2.95Å; V120-L123 PolarHBondContact O-N 3.43Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.47Å; V120-S124 PolarHBondContact O-N 2.75Å; V120-W131 HydrophobicContact CG1-CE3 4.35Å; V120-L133 HydrophobicContact CG2-CB 3.77Å; V120-L134 HydrophobicContact CG1-CB 4.47Å; V120-L134 HydrophobicContact CG1-CD1 4.41Å
121T92.3Very high90.4Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-59.7-45.3177.2-65.40000111.3Y37 Y40 C117 S118 L119 S124Y37-T121 HydrophobicContact CD2-CG2 4.39Å; Y37-T121 HydrophobicContact CE2-CG2 4.32Å; Y37-T121 PolarHBondContact OH-OG1 3.41Å; Y40-T121 VanDerWaalsContact CB-CG2 3.45Å; Y40-T121 HydrophobicContact CD1-CG2 4.22Å; Y40-T121 HydrophobicContact CD2-CG2 3.93Å; Y40-T121 WeakPolarHBondContact CD2-O 3.38Å; Y40-T121 HydrophobicContact CG-CG2 3.59Å; C117-T121 WeakPolarHBondContact O-CB 3.34Å; C117-T121 PolarHBondContact O-N 2.95Å; C117-T121 PolarHBondContact O-OG1 2.92Å; C117-T121 VanDerWaalsContact O-OG1 3.06Å; S118-T121 PolarHBondContact O-N 3.48Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3.06Å; T121-S124 PolarHBondContact O-N 3.11Å; T121-S124 PolarHBondContact O-OG 2.93Å
122M93.2Very high90Very high72 Ų7255.5 Ų55.536%0.35527%0.268SS..Hα-helixtrans-68.1-46.2177.7-69.2-59-62.500112.9C36 V39 S118 L119 V120 S124 L125C36-M122 HydrophobicContact CB-CG 4.09Å; C36-M122 HydrophobicContact CB-SD 4.02Å; V39-M122 HydrophobicContact CG1-CE 4.28Å; V39-M122 HydrophobicContact CG1-SD 4.4Å; S118-M122 WeakPolarHBondContact O-CG 3.48Å; S118-M122 PolarHBondContact O-N 2.86Å; L119-M122 PolarHBondContact O-N 2.92Å; V120-M122 PolarHBondContact O-N 2.95Å; M122-S124 PolarHBondContact O-N 3.06Å; M122-L125 WeakPolarHBondContact O-CB 3.35Å; M122-L125 PolarHBondContact O-N 3.26Å
123L93.1Very high89.8Confident56 Ų5655.8 Ų55.829%0.29327%0.269SS..Hα-helixtrans-64.2-30.3178.5-72.4173.6000112L119 V120 L125 I126 H127 F130 L133L119-L123 WeakPolarHBondContact O-CB 3.31Å; L119-L123 VanDerWaalsContact O-CG 3.3Å; L119-L123 WeakPolarHBondContact O-CG 3.34Å; L119-L123 PolarHBondContact O-N 2.69Å; V120-L123 PolarHBondContact O-N 3.43Å; L123-L125 PolarHBondContact O-N 2.83Å; L123-L125 VanDerWaalsContact O-N 3.16Å; L123-I126 HydrophobicContact CD2-CD1 4.1Å; L123-I126 WeakPolarHBondContact O-CB 3.49Å; L123-I126 PolarHBondContact O-N 3.27Å; L123-H127 PolarHBondContact O-N 3.01Å; L123-F130 HydrophobicContact CB-CB 3.9Å; L123-F130 HydrophobicContact CB-CD1 4.23Å; L123-F130 HydrophobicContact CB-CD2 3.85Å; L123-F130 HydrophobicContact CB-CE2 4.43Å; L123-F130 HydrophobicContact CB-CG 3.74Å; L123-F130 HydrophobicContact CD1-CD1 4.26Å; L123-F130 HydrophobicContact CD1-CE1 4.46Å; L123-F130 WeakPolarHBondContact O-CD2 3.3Å; L123-L133 HydrophobicContact CD1-CD1 4.25Å
124S90.3Very high89.5Confident8 Ų856.1 Ų56.16%0.05627%0.267CS..Hα-helixtrans-62.7-20.817877.90000113.8Y40 V120 T121 M122Y40-S124 WeakPolarHBondContact CE2-OG 3.25Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.47Å; V120-S124 PolarHBondContact O-N 2.75Å; T121-S124 PolarHBondContact O-N 3.11Å; T121-S124 PolarHBondContact O-OG 2.93Å; M122-S124 PolarHBondContact O-N 3.06Å
125L89.1Confident89.1Confident30 Ų3060.8 Ų60.816%0.15729%0.292CS..Hα-helixtrans-72.4-30.7171.4-64173.6000112.5Y40 I43 M122 L123Y40-L125 HydrophobicContact CD2-CD2 3.48Å; Y40-L125 VanDerWaalsContact CD2-CD2 3.48Å; Y40-L125 HydrophobicContact CD2-CG 3.81Å; Y40-L125 HydrophobicContact CE2-CD2 3.87Å; Y40-L125 HydrophobicContact CE2-CG 4.42Å; Y40-L125 HydrophobicContact CG-CD2 4.38Å; I43-L125 HydrophobicContact CB-CD1 4.41Å; I43-L125 HydrophobicContact CB-CD2 4.06Å; I43-L125 HydrophobicContact CD1-CD1 3.81Å; I43-L125 HydrophobicContact CG2-CD1 4.48Å; I43-L125 HydrophobicContact CG2-CD2 3.85Å; M122-L125 WeakPolarHBondContact O-CB 3.35Å; M122-L125 PolarHBondContact O-N 3.26Å; L123-L125 PolarHBondContact O-N 2.83Å; L123-L125 VanDerWaalsContact O-N 3.16Å
126I90.4Very high88.7Confident129 Ų12961.1 Ų61.166%0.66229%0.294SS*.Hα-helixtrans-78.8-47177.4-54.4177.2000109.4L123L123-I126 HydrophobicContact CD2-CD1 4.1Å; L123-I126 WeakPolarHBondContact O-CB 3.49Å; L123-I126 PolarHBondContact O-N 3.27Å
127H87.2Confident88.3Confident93 Ų9358.6 Ų58.643%0.43128%0.281SS..  trans-149.7134.7-179.8-150.4-83.3000113.2L123 Y129 F130L123-H127 PolarHBondContact O-N 3.01Å; H127-Y129 VanDerWaalsContact C-N 3.26Å; H127-Y129 AromaticContact CE1-CD2 2.99Å; H127-Y129 WeakPolarHBondContact CE1-CD2 3.45Å; H127-Y129 AromaticContact CE1-CE2 3.37Å; H127-Y129 WeakPolarHBondContact CE1-CE2 3.28Å; H127-Y129 AromaticContact CE1-CG 3.88Å; H127-Y129 AromaticContact ND1-CD2 3.2Å; H127-Y129 WeakPolarHBondContact ND1-CD2 3.44Å; H127-Y129 AromaticContact ND1-CG 3.7Å; H127-Y129 PolarHBondContact ND1-N 2.86Å; H127-Y129 PolarHBondContact O-N 3.31Å; H127-F130 HydrophobicContact CB-CD2 3.54Å; H127-F130 HydrophobicContact CB-CE2 3.53Å; H127-F130 WeakPolarHBondContact O-CB 3.29Å; H127-F130 VanDerWaalsContact O-CD2 3.26Å; H127-F130 WeakPolarHBondContact O-CD2 3.45Å; H127-F130 PolarHBondContact O-N 2.88Å; H127-F130 VanDerWaalsContact O-N 3.16Å
128Q80.9Confident87.8Confident71 Ų7161.8 Ų61.833%0.33230%0.302SS..G310 helixtrans-68.6-22.1-176.6-69.9163.622.900113.9Y56 F130 W131Y56-Q128 HydrophobicContact CE1-CB 3.99Å; Y56-Q128 HydrophobicContact CE1-CG 4.18Å; Y56-Q128 PolarHBondContact OH-OE1 2.89Å; Q128-F130 PolarHBondContact O-N 3.21Å; Q128-W131 VanDerWaalsContact O-CD1 3.24Å; Q128-W131 PolarHBondContact O-N 3.2Å
129Y85.3Confident87.3Confident169 Ų16966.8 Ų66.866%0.66333%0.328SS*.G310 helixtrans-65.5-19.2175.3-68.6-52.4000113.1H127 W131 F132H127-Y129 VanDerWaalsContact C-N 3.26Å; H127-Y129 AromaticContact CE1-CD2 2.99Å; H127-Y129 WeakPolarHBondContact CE1-CD2 3.45Å; H127-Y129 AromaticContact CE1-CE2 3.37Å; H127-Y129 WeakPolarHBondContact CE1-CE2 3.28Å; H127-Y129 AromaticContact CE1-CG 3.88Å; H127-Y129 AromaticContact ND1-CD2 3.2Å; H127-Y129 WeakPolarHBondContact ND1-CD2 3.44Å; H127-Y129 AromaticContact ND1-CG 3.7Å; H127-Y129 PolarHBondContact ND1-N 2.86Å; H127-Y129 PolarHBondContact O-N 3.31Å; Y129-W131 PolarHBondContact O-N 3.43Å; Y129-W131 VanDerWaalsContact O-N 3.16Å; Y129-F132 HydrophobicContact CD1-CD2 4.2Å; Y129-F132 AromaticContact CD1-CE2 3.94Å; Y129-F132 HydrophobicContact CD1-CE2 3.94Å; Y129-F132 WeakPolarHBondContact O-CB 3.43Å; Y129-F132 WeakPolarHBondContact O-CD2 3.22Å; Y129-F132 PolarHBondContact O-N 2.81Å
130F88.1Confident86.8Confident70 Ų7068 Ų6831%0.30733%0.326SS..G310 helixtrans-66.2-15.7177.3-70.6-63.8000113.3L123 H127 Q128 F132 L133L123-F130 HydrophobicContact CB-CB 3.9Å; L123-F130 HydrophobicContact CB-CD1 4.23Å; L123-F130 HydrophobicContact CB-CD2 3.85Å; L123-F130 HydrophobicContact CB-CE2 4.43Å; L123-F130 HydrophobicContact CB-CG 3.74Å; L123-F130 HydrophobicContact CD1-CD1 4.26Å; L123-F130 HydrophobicContact CD1-CE1 4.46Å; L123-F130 WeakPolarHBondContact O-CD2 3.3Å; H127-F130 HydrophobicContact CB-CD2 3.54Å; H127-F130 HydrophobicContact CB-CE2 3.53Å; H127-F130 WeakPolarHBondContact O-CB 3.29Å; H127-F130 VanDerWaalsContact O-CD2 3.26Å; H127-F130 WeakPolarHBondContact O-CD2 3.45Å; H127-F130 PolarHBondContact O-N 2.88Å; H127-F130 VanDerWaalsContact O-N 3.16Å; Q128-F130 PolarHBondContact O-N 3.21Å; F130-F132 PolarHBondContact O-N 3.2Å; F130-L133 HydrophobicContact CB-CD1 4.47Å; F130-L133 HydrophobicContact CD1-CD1 3.58Å; F130-L133 HydrophobicContact CD1-CG 4.2Å; F130-L133 HydrophobicContact CE1-CD1 4.33Å; F130-L133 HydrophobicContact CG-CD1 4.49Å; F130-L133 VanDerWaalsContact O-CB 3.26Å; F130-L133 WeakPolarHBondContact O-CB 3.43Å; F130-L133 PolarHBondContact O-N 3.5Å
131W84.8Confident86.2Confident13 Ų1372.8 Ų72.85%0.04935%0.35CS..G310 helixtrans-57.9-27.4168.2-76.7109.3000113Y40 Y56 L59 S60 C63 V120 Q128 Y129 L133 L134Y40-W131 HydrophobicContact CE2-CZ2 4.08Å; Y40-W131 AromaticContact CZ-CZ2 3.77Å; Y40-W131 WeakPolarHBondContact OH-CZ2 3.44Å; Y56-W131 AromaticContact CD1-CD1 3.58Å; Y56-W131 HydrophobicContact CD1-CG 4.38Å; Y56-W131 AromaticContact CD1-NE1 3.63Å; Y56-W131 AromaticContact CE1-CD1 3.75Å; L59-W131 HydrophobicContact CB-CD2 4.12Å; L59-W131 HydrophobicContact CB-CE3 3.76Å; L59-W131 HydrophobicContact CB-CZ3 4.09Å; L59-W131 HydrophobicContact CD1-CB 4.16Å; L59-W131 HydrophobicContact CD1-CD2 4.47Å; L59-W131 HydrophobicContact CD1-CG 4.24Å; S60-W131 VanDerWaalsContact CA-CH2 3.44Å; C63-W131 HydrophobicContact CB-CZ3 3.92Å; V120-W131 HydrophobicContact CG1-CE3 4.35Å; Q128-W131 VanDerWaalsContact O-CD1 3.24Å; Q128-W131 PolarHBondContact O-N 3.2Å; Y129-W131 PolarHBondContact O-N 3.43Å; Y129-W131 VanDerWaalsContact O-N 3.16Å; W131-L133 PolarHBondContact O-N 3.18Å; W131-L134 WeakPolarHBondContact O-CB 3.4Å; W131-L134 PolarHBondContact O-N 3.19Å
132F84.2Confident85.8Confident139 Ų13978.6 Ų78.661%0.6138%0.376SS*.G310 helixtrans-68.3-22.1174.8-71.3-71.2000112.9Y129 F130 L134 L135Y129-F132 HydrophobicContact CD1-CD2 4.2Å; Y129-F132 AromaticContact CD1-CE2 3.94Å; Y129-F132 HydrophobicContact CD1-CE2 3.94Å; Y129-F132 WeakPolarHBondContact O-CB 3.43Å; Y129-F132 WeakPolarHBondContact O-CD2 3.22Å; Y129-F132 PolarHBondContact O-N 2.81Å; F130-F132 PolarHBondContact O-N 3.2Å; F132-L134 PolarHBondContact O-N 3.37Å; F132-L135 HydrophobicContact CD1-CD1 3.99Å; F132-L135 WeakPolarHBondContact O-CB 3.36Å; F132-L135 PolarHBondContact O-N 2.8Å
133L86.4Confident85.4Confident62 Ų6281.7 Ų81.733%0.32539%0.385SS..G310 helixtrans-64-20.3171.4-63.3-178.1000111.9V120 L123 F130 W131 L135 I136V120-L133 HydrophobicContact CG2-CB 3.77Å; L123-L133 HydrophobicContact CD1-CD1 4.25Å; F130-L133 HydrophobicContact CB-CD1 4.47Å; F130-L133 HydrophobicContact CD1-CD1 3.58Å; F130-L133 HydrophobicContact CD1-CG 4.2Å; F130-L133 HydrophobicContact CE1-CD1 4.33Å; F130-L133 HydrophobicContact CG-CD1 4.49Å; F130-L133 VanDerWaalsContact O-CB 3.26Å; F130-L133 WeakPolarHBondContact O-CB 3.43Å; F130-L133 PolarHBondContact O-N 3.5Å; W131-L133 PolarHBondContact O-N 3.18Å; L133-L135 PolarHBondContact O-N 2.96Å; L133-I136 HydrophobicContact CB-CD1 4.27Å; L133-I136 HydrophobicContact CD2-CD1 3.64Å; L133-I136 VanDerWaalsContact O-CB 3.23Å; L133-I136 WeakPolarHBondContact O-CB 3.37Å; L133-I136 WeakPolarHBondContact O-CG1 3.25Å; L133-I136 PolarHBondContact O-N 3.02Å
134L84.5Confident84.8Confident31 Ų3180.4 Ų80.416%0.16238%0.379CS..G310 helixtrans-59-29.2172.1-16376.4000111.8L59 C63 V120 W131 F132 I136 I137 P138L59-L134 HydrophobicContact CD2-CD2 4.42Å; C63-L134 HydrophobicContact CB-CD1 3.71Å; C63-L134 HydrophobicContact CB-CD2 4.26Å; C63-L134 VanDerWaalsContact SG-CD1 3.51Å; V120-L134 HydrophobicContact CG1-CB 4.47Å; V120-L134 HydrophobicContact CG1-CD1 4.41Å; W131-L134 WeakPolarHBondContact O-CB 3.4Å; W131-L134 PolarHBondContact O-N 3.19Å; F132-L134 PolarHBondContact O-N 3.37Å; L134-I136 PolarHBondContact O-N 2.95Å; L134-I137 HydrophobicContact CD1-CD1 3.67Å; L134-I137 HydrophobicContact CG-CD1 4.36Å; L134-I137 WeakPolarHBondContact O-CB 3.3Å; L134-I137 PolarHBondContact O-N 2.88Å; L134-P138 WeakPolarHBondContact O-CD 3.46Å
135L83.9Confident84.3Confident99 Ų9984.3 Ų84.352%0.51840%0.399SS..G310 helixtrans-64.9-19.5174.8-80.7153000113F132 L133 I137 P138 I139F132-L135 HydrophobicContact CD1-CD1 3.99Å; F132-L135 WeakPolarHBondContact O-CB 3.36Å; F132-L135 PolarHBondContact O-N 2.8Å; L133-L135 PolarHBondContact O-N 2.96Å; L135-I137 PolarHBondContact O-N 2.95Å; L135-P138 WeakPolarHBondContact O-CD 3.37Å; L135-P138 VanDerWaalsContact O-CG 3.27Å; L135-P138 WeakPolarHBondContact O-CG 3.5Å; L135-I139 VanDerWaalsContact O-CD1 3.29Å; L135-I139 WeakPolarHBondContact O-CD1 3.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 3.4Å
136I85.8Confident84Confident64 Ų6487.8 Ų87.833%0.32841%0.41SS..Hα-helixtrans-65.6-33175.6-60.7174000110.4M116 L133 L134 I139 R140M116-I136 HydrophobicContact CE-CG2 4.32Å; L133-I136 HydrophobicContact CB-CD1 4.27Å; L133-I136 HydrophobicContact CD2-CD1 3.64Å; L133-I136 VanDerWaalsContact O-CB 3.23Å; L133-I136 WeakPolarHBondContact O-CB 3.37Å; L133-I136 WeakPolarHBondContact O-CG1 3.25Å; L133-I136 PolarHBondContact O-N 3.02Å; L134-I136 PolarHBondContact O-N 2.95Å; I136-I139 PolarHBondContact O-N 3.02Å; I136-R140 HydrophobicContact CG2-CG 3.86Å; I136-R140 WeakPolarHBondContact O-CB 3.36Å; I136-R140 WeakPolarHBondContact O-CG 3.47Å; I136-R140 PolarHBondContact O-N 3.28Å
137I83.3Confident83.6Confident23 Ų2384.3 Ų84.312%0.11840%0.395CS..Hα-helixtrans-61.9-55.4-179.6-63.6159.7000112.3C117 L134 L135 I139 R140 L141C117-I137 WeakPolarHBondContact SG-CD1 3.43Å; L134-I137 HydrophobicContact CD1-CD1 3.67Å; L134-I137 HydrophobicContact CG-CD1 4.36Å; L134-I137 WeakPolarHBondContact O-CB 3.3Å; L134-I137 PolarHBondContact O-N 2.88Å; L135-I137 PolarHBondContact O-N 2.95Å; I137-I139 VanDerWaalsContact C-N 3.28Å; I137-I139 PolarHBondContact O-N 3.17Å; I137-R140 PolarHBondContact O-N 2.73Å; I137-L141 HydrophobicContact CG2-CD1 3.88Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.29Å
138P81.1Confident83.2Confident69 Ų6985 Ų8545%0.44840%0.402SS..Hα-helixtrans-63.8-33.217724.6-33.2000112.2L134 L135 L141 F142L134-P138 WeakPolarHBondContact O-CD 3.46Å; L135-P138 WeakPolarHBondContact O-CD 3.37Å; L135-P138 VanDerWaalsContact O-CG 3.27Å; L135-P138 WeakPolarHBondContact O-CG 3.5Å; P138-L141 PolarHBondContact O-N 2.74Å; P138-F142 VanDerWaalsContact O-CB 3.26Å; P138-F142 WeakPolarHBondContact O-CB 3.5Å; P138-F142 PolarHBondContact O-N 3.03Å
139I84.6Confident83Confident110 Ų11086.7 Ų86.756%0.56441%0.412SS*.Hα-helixtrans-63.3-43.7174.3-66.2167.2000110.7L135 I136 I137 F142 Y143L135-I139 VanDerWaalsContact O-CD1 3.29Å; L135-I139 WeakPolarHBondContact O-CD1 3.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 3.4Å; I136-I139 PolarHBondContact O-N 3.02Å; I137-I139 VanDerWaalsContact C-N 3.28Å; I137-I139 PolarHBondContact O-N 3.17Å; I139-F142 PolarHBondContact O-N 2.67Å; I139-Y143 WeakPolarHBondContact O-CB 3.2Å; I139-Y143 PolarHBondContact O-N 3.47Å
140R81.3Confident82.8Confident116 Ų11681.4 Ų81.444%0.43840%0.395SS..Hα-helixtrans-65.9-44.7177.4-72.9-77.6-72.9169.6-3.6111.6I136 I137 F142 Y143 V144I136-R140 HydrophobicContact CG2-CG 3.86Å; I136-R140 WeakPolarHBondContact O-CB 3.36Å; I136-R140 WeakPolarHBondContact O-CG 3.47Å; I136-R140 PolarHBondContact O-N 3.28Å; I137-R140 PolarHBondContact O-N 2.73Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.46Å; R140-Y143 WeakPolarHBondContact O-CB 3.3Å; R140-Y143 PolarHBondContact O-N 2.79Å; R140-V144 WeakPolarHBondContact O-CG2 3.45Å; R140-V144 PolarHBondContact O-N 3.36Å
141L80.9Confident82.4Confident104 Ų10479.3 Ų79.355%0.54539%0.39SS..Hα-helixtrans-59-45.1174.4-75.7163.2000111.3I137 P138 Y143 V144 L145I137-L141 HydrophobicContact CG2-CD1 3.88Å; I137-L141 WeakPolarHBondContact O-CG 3.34Å; I137-L141 PolarHBondContact O-N 3.29Å; P138-L141 PolarHBondContact O-N 2.74Å; L141-Y143 PolarHBondContact O-N 3.3Å; L141-V144 PolarHBondContact O-N 3.38Å; L141-L145 WeakPolarHBondContact O-CB 3.28Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.67Å
142F84Confident82.1Confident123 Ų12381.4 Ų81.454%0.53941%0.406SS..Hα-helixtrans-62.2-42.8176.4-175.1-97.6000111.7P138 I139 R140 V144 L145 W146P138-F142 VanDerWaalsContact O-CB 3.26Å; P138-F142 WeakPolarHBondContact O-CB 3.5Å; P138-F142 PolarHBondContact O-N 3.03Å; I139-F142 PolarHBondContact O-N 2.67Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.46Å; F142-V144 PolarHBondContact O-N 3.26Å; F142-L145 PolarHBondContact O-N 3.47Å; F142-W146 HydrophobicContact CE1-CE3 4.34Å; F142-W146 HydrophobicContact CZ-CE3 4.02Å; F142-W146 WeakPolarHBondContact O-CB 3.39Å; F142-W146 PolarHBondContact O-N 3.23Å
143Y84.4Confident81.9Confident136 Ų13683.1 Ų83.153%0.53341%0.408SS..Hα-helixtrans-60.1-46.1175.9178.5-97.8000112.1I139 R140 L141 W146 V147I139-Y143 WeakPolarHBondContact O-CB 3.2Å; I139-Y143 PolarHBondContact O-N 3.47Å; R140-Y143 WeakPolarHBondContact O-CB 3.3Å; R140-Y143 PolarHBondContact O-N 2.79Å; L141-Y143 PolarHBondContact O-N 3.3Å; Y143-W146 PolarHBondContact O-N 2.86Å; Y143-V147 HydrophobicContact CD1-CG2 4.42Å; Y143-V147 HydrophobicContact CD2-CG2 4.19Å; Y143-V147 HydrophobicContact CE1-CG2 4.04Å; Y143-V147 HydrophobicContact CE2-CG2 3.79Å; Y143-V147 HydrophobicContact CG-CG2 4.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.25Å; Y143-V147 PolarHBondContact O-N 2.87Å
144V80.1Confident81.5Confident30 Ų3084.3 Ų84.318%0.18241%0.414CS..Hα-helixtrans-63.7-44.2178.2172.80000111R140 L141 F142 W146 N148R140-V144 WeakPolarHBondContact O-CG2 3.45Å; R140-V144 PolarHBondContact O-N 3.36Å; L141-V144 PolarHBondContact O-N 3.38Å; F142-V144 PolarHBondContact O-N 3.26Å; V144-W146 VanDerWaalsContact C-N 3.34Å; V144-N148 WeakPolarHBondContact CG1-ND2 3.35Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 3.02Å; V144-N148 PolarHBondContact O-ND2 2.91Å
145L80.8Confident81.3Confident89 Ų8989.4 Ų89.447%0.46644%0.435SS..Hα-helixtrans-63.4-40.6175-71.9167.7000111.8L141 F142 I149 L150L141-L145 WeakPolarHBondContact O-CB 3.28Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 2.67Å; F142-L145 PolarHBondContact O-N 3.47Å; L145-I149 HydrophobicContact CD2-CD1 3.56Å; L145-I149 HydrophobicContact CD2-CG1 4.49Å; L145-I149 WeakPolarHBondContact O-CA 3.23Å; L145-I149 VanDerWaalsContact O-CB 3.3Å; L145-I149 WeakPolarHBondContact O-CB 3.29Å; L145-I149 PolarHBondContact O-N 3.17Å; L145-L150 PolarHBondContact O-N 3.32Å; L145-L150 VanDerWaalsContact O-N 3.17Å
146W82.7Confident80.5Confident103 Ų10387.6 Ų87.639%0.3943%0.426SS..Iπ-helixtrans-63.9-51178.5-176.1-92.3000111.2F142 Y143 V144 L150 A151F142-W146 HydrophobicContact CE1-CE3 4.34Å; F142-W146 HydrophobicContact CZ-CE3 4.02Å; F142-W146 WeakPolarHBondContact O-CB 3.39Å; F142-W146 PolarHBondContact O-N 3.23Å; Y143-W146 PolarHBondContact O-N 2.86Å; V144-W146 VanDerWaalsContact C-N 3.34Å; W146-L150 HydrophobicContact CD2-CB 4.28Å; W146-L150 HydrophobicContact CD2-CD1 4.28Å; W146-L150 HydrophobicContact CE3-CB 4.01Å; W146-L150 HydrophobicContact CE3-CD1 3.37Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CZ3-CB 4.36Å; W146-L150 HydrophobicContact CZ3-CD1 3.81Å; W146-L150 CarbonylContact O-C 3.54Å; W146-L150 PolarHBondContact O-N 2.66Å; W146-A151 VanDerWaalsContact O-CB 3.28Å; W146-A151 WeakPolarHBondContact O-CB 3.17Å; W146-A151 PolarHBondContact O-N 3.34Å
147V81.2Confident79.3Confident57 Ų5788.7 Ų88.735%0.34544%0.437SS..Iπ-helixtrans-72.8-35.6-176.4175.60000112.5Y143 P152Y143-V147 HydrophobicContact CD1-CG2 4.42Å; Y143-V147 HydrophobicContact CD2-CG2 4.19Å; Y143-V147 HydrophobicContact CE1-CG2 4.04Å; Y143-V147 HydrophobicContact CE2-CG2 3.79Å; Y143-V147 HydrophobicContact CG-CG2 4.5Å; Y143-V147 WeakPolarHBondContact O-CG2 3.25Å; Y143-V147 PolarHBondContact O-N 2.87Å; V147-P152 VanDerWaalsContact O-CD 3.26Å; V147-P152 WeakPolarHBondContact O-CD 3.13Å
148N78.2Confident78.3Confident108 Ų10891.9 Ų91.958%0.57845%0.454SS*.Iπ-helixtrans-92.9-28.1-173.7-65-25.2000114V144V144-N148 WeakPolarHBondContact CG1-ND2 3.35Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 PolarHBondContact O-N 3.02Å; V144-N148 PolarHBondContact O-ND2 2.91Å
149I78.1Confident77.1Confident105 Ų10592.5 Ų92.554%0.53845%0.452SS..Iπ-helixtrans-112.9-55.4-175.4-52.5-177.2000110.5L145 W153L145-I149 HydrophobicContact CD2-CD1 3.56Å; L145-I149 HydrophobicContact CD2-CG1 4.49Å; L145-I149 WeakPolarHBondContact O-CA 3.23Å; L145-I149 VanDerWaalsContact O-CB 3.3Å; L145-I149 WeakPolarHBondContact O-CB 3.29Å; L145-I149 PolarHBondContact O-N 3.17Å; I149-W153 WeakPolarHBondContact O-CB 3.49Å; I149-W153 PolarHBondContact O-N 2.76Å
150L80.5Confident75.7Confident59 Ų5994.9 Ų94.931%0.30946%0.46SS..Iπ-helixtrans-75.7-43.3-172.1-66.3167.3000112.4L145 W146 W153 I154L145-L150 PolarHBondContact O-N 3.32Å; L145-L150 VanDerWaalsContact O-N 3.17Å; W146-L150 HydrophobicContact CD2-CB 4.28Å; W146-L150 HydrophobicContact CD2-CD1 4.28Å; W146-L150 HydrophobicContact CE3-CB 4.01Å; W146-L150 HydrophobicContact CE3-CD1 3.37Å; W146-L150 HydrophobicContact CE3-CG 4.31Å; W146-L150 HydrophobicContact CZ3-CB 4.36Å; W146-L150 HydrophobicContact CZ3-CD1 3.81Å; W146-L150 CarbonylContact O-C 3.54Å; W146-L150 PolarHBondContact O-N 2.66Å; L150-W153 PolarHBondContact O-N 3Å; L150-I154 HydrophobicContact CB-CD1 4.44Å; L150-I154 WeakPolarHBondContact O-CB 3.25Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 2.78Å
151A80.1Confident74.5Confident25 Ų2592.9 Ų92.921%0.20746%0.461CS..Hα-helixtrans-65.4-45.7-175.800000112.4W146 W153 I154 F155W146-A151 VanDerWaalsContact O-CB 3.28Å; W146-A151 WeakPolarHBondContact O-CB 3.17Å; W146-A151 PolarHBondContact O-N 3.34Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 3.1Å; A151-I154 PolarHBondContact O-N 3.37Å; A151-F155 HydrophobicContact CB-CD2 4.38Å; A151-F155 WeakPolarHBondContact O-CB 3.26Å; A151-F155 WeakPolarHBondContact O-CD2 2.94Å; A151-F155 PolarHBondContact O-N 2.72Å
152P79.1Confident73.2Confident58 Ų5893.3 Ų93.338%0.37746%0.46SS..Hα-helixtrans-69.2-31.1174-18.434000111.6V147 D156V147-P152 VanDerWaalsContact O-CD 3.26Å; V147-P152 WeakPolarHBondContact O-CD 3.13Å; P152-D156 WeakPolarHBondContact O-CB 3.05Å; P152-D156 PolarHBondContact O-N 2.74Å
153W78.4Confident71.9Confident174 Ų17490.7 Ų90.766%0.65945%0.454SS*.Hα-helixtrans-70.7-36.1177.9-174.775.9000113I149 L150 A151 Q159I149-W153 WeakPolarHBondContact O-CB 3.49Å; I149-W153 PolarHBondContact O-N 2.76Å; L150-W153 PolarHBondContact O-N 3Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 3.1Å; W153-Q159 PolarHBondContact O-NE2 3.1Å
154I79.8Confident70.6Confident87 Ų8788.1 Ų88.145%0.44645%0.45SS..Hα-helixtrans-88.8-41.1-177.6-62.7172.5000112.3L150 A151L150-I154 HydrophobicContact CB-CD1 4.44Å; L150-I154 WeakPolarHBondContact O-CB 3.25Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 2.78Å; A151-I154 PolarHBondContact O-N 3.37Å
155F79.2Confident69.6Low139 Ų13991.7 Ų91.761%0.6146%0.464SS*.Hα-helixtrans-111.1-2-166.5-60.9-74.6000114.8A151 P157A151-F155 HydrophobicContact CB-CD2 4.38Å; A151-F155 WeakPolarHBondContact O-CB 3.26Å; A151-F155 WeakPolarHBondContact O-CD2 2.94Å; A151-F155 PolarHBondContact O-N 2.72Å; F155-P157 WeakPolarHBondContact O-CD 3.35Å
156D67.2Low68.6Low60 Ų6094.1 Ų94.132%0.32147%0.471SS..  trans-67.7109.4-177.6-173.85.2000110P152 N158 Q159P152-D156 WeakPolarHBondContact O-CB 3.05Å; P152-D156 PolarHBondContact O-N 2.74Å; D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 VanDerWaalsContact O-N 3.1Å; D156-N158 VanDerWaalsContact OD1-CB 3.27Å; D156-N158 WeakPolarHBondContact OD1-CB 3.12Å; D156-N158 PolarHBondContact OD1-N 3.32Å; D156-N158 VanDerWaalsContact OD1-N 3.1Å; D156-N158 PolarHBondContact OD1-ND2 3.22Å; D156-Q159 HydrophobicContact CB-CG 4.34Å; D156-Q159 WeakPolarHBondContact O-CB 3.27Å; D156-Q159 PolarHBondContact O-N 3.49Å
157P61.5Low67.6Low88 Ų8895.5 Ų95.557%0.57148%0.48SS*.Hα-helixtrans-63.3-19.3179.527.8-33.9000111.3F155 Q159 E160 T161F155-P157 WeakPolarHBondContact O-CD 3.35Å; P157-Q159 PolarHBondContact O-N 2.96Å; P157-E160 WeakPolarHBondContact O-CB 3.39Å; P157-E160 PolarHBondContact O-N 3.43Å; P157-E160 VanDerWaalsContact O-N 3.13Å; P157-T161 PolarHBondContact O-N 2.91Å; P157-T161 PolarHBondContact O-OG1 3.4Å
158N60.4Low66.8Low89 Ų8997.6 Ų97.648%0.47649%0.486SS..Hα-helixtrans-68.2-17.3173-62.5-56.2000113.1D156 E160 T161 Q162D156-N158 PolarHBondContact O-N 3.13Å; D156-N158 VanDerWaalsContact O-N 3.1Å; D156-N158 VanDerWaalsContact OD1-CB 3.27Å; D156-N158 WeakPolarHBondContact OD1-CB 3.12Å; D156-N158 PolarHBondContact OD1-N 3.32Å; D156-N158 VanDerWaalsContact OD1-N 3.1Å; D156-N158 PolarHBondContact OD1-ND2 3.22Å; N158-E160 VanDerWaalsContact C-N 3.29Å; N158-T161 WeakPolarHBondContact CA-OG1 3.43Å; N158-T161 PolarHBondContact O-N 3.37Å; N158-Q162 VanDerWaalsContact O-CB 3.29Å; N158-Q162 WeakPolarHBondContact O-CB 3.46Å; N158-Q162 WeakPolarHBondContact O-CG 3.34Å; N158-Q162 PolarHBondContact O-N 3.5Å
159Q56.7Low66.6Low83 Ų8398.3 Ų98.339%0.38848%0.484SS..Hα-helixtrans-64.2-39.7169.6-71.5-147.824.300110.7W153 D156 P157 T161 V163W153-Q159 PolarHBondContact O-NE2 3.1Å; D156-Q159 HydrophobicContact CB-CG 4.34Å; D156-Q159 WeakPolarHBondContact O-CB 3.27Å; D156-Q159 PolarHBondContact O-N 3.49Å; P157-Q159 PolarHBondContact O-N 2.96Å; Q159-T161 VanDerWaalsContact C-N 3.35Å; Q159-T161 PolarHBondContact O-N 2.87Å; Q159-V163 WeakPolarHBondContact O-CB 3.34Å; Q159-V163 WeakPolarHBondContact O-CG2 3.12Å; Q159-V163 PolarHBondContact O-N 3.2Å
160E56.1Low66.4Low160 Ų160100.7 Ų100.775%0.74849%0.49SS*.Hα-helixtrans-63.1-44.6175.2-59.4-167.7175.500110.5P157 N158 N164P157-E160 WeakPolarHBondContact O-CB 3.39Å; P157-E160 PolarHBondContact O-N 3.43Å; P157-E160 VanDerWaalsContact O-N 3.13Å; N158-E160 VanDerWaalsContact C-N 3.29Å; E160-N164 WeakPolarHBondContact O-CB 3.29Å; E160-N164 PolarHBondContact O-N 2.88Å
161T55.4Low65.8Low74 Ų74102.7 Ų102.745%0.45450%0.499SS..Hα-helixtrans-68.5-45.4-179.7-10.60000112.3P157 N158 Q159 N164 E165P157-T161 PolarHBondContact O-N 2.91Å; P157-T161 PolarHBondContact O-OG1 3.4Å; N158-T161 WeakPolarHBondContact CA-OG1 3.43Å; N158-T161 PolarHBondContact O-N 3.37Å; Q159-T161 VanDerWaalsContact C-N 3.35Å; Q159-T161 PolarHBondContact O-N 2.87Å; T161-N164 PolarHBondContact O-N 3.2Å; T161-E165 WeakPolarHBondContact O-CB 3.06Å; T161-E165 WeakPolarHBondContact O-CG 3.48Å; T161-E165 PolarHBondContact O-N 2.79Å
162Q52.9Low65.5Low113 Ų113107 Ų10753%0.52852%0.515SS..Hα-helixtrans-72.2-36.8-179.8-72.4-151.726.700113.3N158 N164 K166N158-Q162 VanDerWaalsContact O-CB 3.29Å; N158-Q162 WeakPolarHBondContact O-CB 3.46Å; N158-Q162 WeakPolarHBondContact O-CG 3.34Å; N158-Q162 PolarHBondContact O-N 3.5Å; Q162-N164 VanDerWaalsContact C-N 3.33Å; Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 WeakPolarHBondContact O-CG 3.27Å; Q162-K166 PolarHBondContact O-N 2.7Å
163V57.3Low65.3Low67 Ų67112.5 Ų112.541%0.40653%0.528SS..Hα-helixtrans-67.5-40.1173.31740000109.4Q159 K167Q159-V163 WeakPolarHBondContact O-CB 3.34Å; Q159-V163 WeakPolarHBondContact O-CG2 3.12Å; Q159-V163 PolarHBondContact O-N 3.2Å; V163-K167 HydrophobicContact CG1-CD 4.04Å; V163-K167 HydrophobicContact CG1-CG 4.37Å; V163-K167 VanDerWaalsContact O-CB 3.27Å; V163-K167 WeakPolarHBondContact O-CB 3.44Å; V163-K167 VanDerWaalsContact O-CG 3.3Å; V163-K167 WeakPolarHBondContact O-CG 3.45Å; V163-K167 PolarHBondContact O-N 2.8Å
164N56.7Low65.2Low83 Ų83110.9 Ų110.944%0.44453%0.526SS..Hα-helixtrans-66.5-45.2176.5-159.65000111.4E160 T161 Q162 K166 K167 Q168E160-N164 WeakPolarHBondContact O-CB 3.29Å; E160-N164 PolarHBondContact O-N 2.88Å; T161-N164 PolarHBondContact O-N 3.2Å; Q162-N164 VanDerWaalsContact C-N 3.33Å; N164-K166 PolarHBondContact O-N 2.8Å; N164-K167 CarbonylContact O-C 3.57Å; N164-K167 PolarHBondContact O-N 2.87Å; N164-Q168 VanDerWaalsContact O-CB 3.29Å; N164-Q168 WeakPolarHBondContact O-CB 3.49Å; N164-Q168 VanDerWaalsContact O-CG 3.25Å; N164-Q168 WeakPolarHBondContact O-CG 3.43Å; N164-Q168 PolarHBondContact O-N 2.73Å
165E60.2Low64.7Low105 Ų105113.1 Ų113.149%0.49154%0.536SS..Hα-helixtrans-60.8-43.8174.7-79.6-167.5178.900112.6T161 K167 Q168 K169T161-E165 WeakPolarHBondContact O-CB 3.06Å; T161-E165 WeakPolarHBondContact O-CG 3.48Å; T161-E165 PolarHBondContact O-N 2.79Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.39Å; E165-Q168 PolarHBondContact O-N 3.22Å; E165-K169 WeakPolarHBondContact O-CB 3.25Å; E165-K169 WeakPolarHBondContact O-CG 3.29Å; E165-K169 PolarHBondContact O-N 3.33Å
166K59.3Low64.3Low139 Ų139115.8 Ų115.860%0.60454%0.542SS*.Hα-helixtrans-65.2-37.7176.2-76.4178.3-176.4171.10111.6Q162 N164 K170Q162-K166 WeakPolarHBondContact O-CB 3.47Å; Q162-K166 WeakPolarHBondContact O-CG 3.27Å; Q162-K166 PolarHBondContact O-N 2.7Å; N164-K166 PolarHBondContact O-N 2.8Å; K166-K170 WeakPolarHBondContact O-CG 3.3Å; K166-K170 PolarHBondContact O-N 2.93Å
167K62.1Low64.6Low133 Ų133120.8 Ų120.858%0.57856%0.556SS**Hα-helixtrans-69.5-41.9174.5-79.3-178.1178179.40111.7V163 N164 E165 K170 M171V163-K167 HydrophobicContact CG1-CD 4.04Å; V163-K167 HydrophobicContact CG1-CG 4.37Å; V163-K167 VanDerWaalsContact O-CB 3.27Å; V163-K167 WeakPolarHBondContact O-CB 3.44Å; V163-K167 VanDerWaalsContact O-CG 3.3Å; V163-K167 WeakPolarHBondContact O-CG 3.45Å; V163-K167 PolarHBondContact O-N 2.8Å; N164-K167 CarbonylContact O-C 3.57Å; N164-K167 PolarHBondContact O-N 2.87Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.39Å; K167-K170 PolarHBondContact O-N 2.88Å; K167-M171 PolarHBondContact O-N 3.22Å
168Q64.3Low65.2Low100 Ų100120.4 Ų120.447%0.46755%0.553SS.*Hα-helixtrans-62.5-49.5176.5-77.3177.6-800111.3N164 E165 K170 M171 E172N164-Q168 VanDerWaalsContact O-CB 3.29Å; N164-Q168 WeakPolarHBondContact O-CB 3.49Å; N164-Q168 VanDerWaalsContact O-CG 3.25Å; N164-Q168 WeakPolarHBondContact O-CG 3.43Å; N164-Q168 PolarHBondContact O-N 2.73Å; E165-Q168 PolarHBondContact O-N 3.22Å; Q168-K170 PolarHBondContact O-N 3Å; Q168-M171 WeakPolarHBondContact O-CA 3.27Å; Q168-M171 PolarHBondContact O-N 3.24Å; Q168-E172 PolarHBondContact O-N 3.25Å
169K73.2Confident65.6Low124 Ų124117.9 Ų117.954%0.53955%0.548SS..Hα-helixtrans-58.9-34.7174.6-77.7179179168.50112.7E165 R173E165-K169 WeakPolarHBondContact O-CB 3.25Å; E165-K169 WeakPolarHBondContact O-CG 3.29Å; E165-K169 PolarHBondContact O-N 3.33Å; K169-R173 VanDerWaalsContact O-CG 3.27Å; K169-R173 WeakPolarHBondContact O-CG 3.49Å; K169-R173 PolarHBondContact O-N 3.37Å
170K74.4Confident65.9Low155 Ų155120.9 Ų120.967%0.67456%0.561SS**Hα-helixtrans-69.5-38.2173.5-81.9-175.6179.7-178.40112.2K166 K167 Q168 K174K166-K170 WeakPolarHBondContact O-CG 3.3Å; K166-K170 PolarHBondContact O-N 2.93Å; K167-K170 PolarHBondContact O-N 2.88Å; Q168-K170 PolarHBondContact O-N 3Å; K170-K174 PolarHBondContact O-N 2.94Å
171M68.5Low66.3Low101 Ų101118.7 Ų118.750%0.49855%0.554SS.*Hα-helixtrans-67.2-43.9175.3-79.3-167.9-76.300112.1K167 Q168 R173 K174 M175K167-M171 PolarHBondContact O-N 3.22Å; Q168-M171 WeakPolarHBondContact O-CA 3.27Å; Q168-M171 PolarHBondContact O-N 3.24Å; M171-R173 VanDerWaalsContact C-N 3.3Å; M171-R173 PolarHBondContact O-N 2.93Å; M171-K174 WeakPolarHBondContact O-CA 3.45Å; M171-K174 WeakPolarHBondContact O-CB 3.44Å; M171-K174 PolarHBondContact O-N 3.28Å; M171-M175 PolarHBondContact O-N 3.35Å
172E72.5Confident66.5Low116 Ų116121.3 Ų121.354%0.54256%0.563SS.*Hα-helixtrans-58.6-41.4175.3-73.8-173.8147.800112.1Q168 K174 M175 R176Q168-E172 PolarHBondContact O-N 3.25Å; E172-K174 VanDerWaalsContact C-N 3.26Å; E172-K174 PolarHBondContact O-N 3.13Å; E172-M175 PolarHBondContact O-N 2.96Å; E172-R176 WeakPolarHBondContact O-CG 3.43Å; E172-R176 PolarHBondContact O-N 2.91Å
173R76.5Confident66.8Low173 Ų173122 Ų12265%0.65357%0.566SS**Hα-helixtrans-64.8-27.6175-72.6175.8-175.5-164.22113.3K169 M171 R177K169-R173 VanDerWaalsContact O-CG 3.27Å; K169-R173 WeakPolarHBondContact O-CG 3.49Å; K169-R173 PolarHBondContact O-N 3.37Å; M171-R173 VanDerWaalsContact C-N 3.3Å; M171-R173 PolarHBondContact O-N 2.93Å; R173-R177 PolarHBondContact O-NE 3.48Å
174K74.5Confident66.9Low139 Ų139120.5 Ų120.560%0.60456%0.564SS**Hα-helixtrans-76.1-44.8173.1-74.4-175.1177.6-172.70110.6K170 M171 E172 R176 R177 V178K170-K174 PolarHBondContact O-N 2.94Å; M171-K174 WeakPolarHBondContact O-CA 3.45Å; M171-K174 WeakPolarHBondContact O-CB 3.44Å; M171-K174 PolarHBondContact O-N 3.28Å; E172-K174 VanDerWaalsContact C-N 3.26Å; E172-K174 PolarHBondContact O-N 3.13Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.43Å; K174-R177 PolarHBondContact O-N 2.98Å; K174-R177 VanDerWaalsContact O-N 3.13Å; K174-V178 WeakPolarHBondContact O-CG2 3.48Å; K174-V178 PolarHBondContact O-N 2.98Å
175M71.1Confident66.9Low135 Ų135120.8 Ų120.867%0.66557%0.569SS**Hα-helixtrans-61.7-40.4177.2-66.1-175.5-169.800112.2M171 E172 R177 V178 G179M171-M175 PolarHBondContact O-N 3.35Å; E172-M175 PolarHBondContact O-N 2.96Å; M175-R177 VanDerWaalsContact C-N 3.3Å; M175-R177 PolarHBondContact O-N 2.82Å; M175-V178 PolarHBondContact O-N 2.79Å; M175-G179 PolarHBondContact O-N 3.37Å
176R69.7Low66.7Low194 Ų194121.8 Ų121.873%0.73258%0.578SS**Hα-helixtrans-60.6-37.2174.1-74.4-175.2-179.5-162.80.6112.9E172 K174 H180E172-R176 WeakPolarHBondContact O-CG 3.43Å; E172-R176 PolarHBondContact O-N 2.91Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.43Å; R176-H180 VanDerWaalsContact O-CB 3.31Å; R176-H180 WeakPolarHBondContact O-CB 3.44Å; R176-H180 PolarHBondContact O-N 2.94Å
177R74.7Confident66.6Low165 Ų165124.4 Ų124.462%0.62358%0.584SS**Hα-helixtrans-71.5-41.8176.6-80.5-172.4-79-177-3.7112.2R173 K174 M175 H180 L181R173-R177 PolarHBondContact O-NE 3.48Å; K174-R177 PolarHBondContact O-N 2.98Å; K174-R177 VanDerWaalsContact O-N 3.13Å; M175-R177 VanDerWaalsContact C-N 3.3Å; M175-R177 PolarHBondContact O-N 2.82Å; R177-H180 PolarHBondContact O-N 3.21Å; R177-L181 WeakPolarHBondContact O-CB 3.31Å; R177-L181 WeakPolarHBondContact O-CD1 3.48Å; R177-L181 WeakPolarHBondContact O-CG 3.43Å; R177-L181 PolarHBondContact O-N 3.3Å
178V72.3Confident66.2Low81 Ų81120.6 Ų120.649%0.49158%0.582SS.*Hα-helixtrans-65.8-42.7176.2176.60000110.8K174 M175 H180 L181 M182K174-V178 WeakPolarHBondContact O-CG2 3.48Å; K174-V178 PolarHBondContact O-N 2.98Å; M175-V178 PolarHBondContact O-N 2.79Å; V178-H180 PolarHBondContact O-N 3.44Å; V178-L181 PolarHBondContact O-N 3.41Å; V178-M182 HydrophobicContact CG1-CG 4.42Å; V178-M182 WeakPolarHBondContact O-CG 3.45Å; V178-M182 PolarHBondContact O-N 3Å
179G68.8Low65.7Low36 Ų36121 Ų12137%0.37159%0.591SS.*Hα-helixtrans-62.3-41.2174.900000112.8M175 L181 M182 H183M175-G179 PolarHBondContact O-N 3.37Å; G179-L181 VanDerWaalsContact C-N 3.34Å; G179-M182 PolarHBondContact O-N 2.9Å; G179-H183 WeakPolarHBondContact O-CB 3.34Å; G179-H183 PolarHBondContact O-N 3.21Å
180H64.3Low64.8Low145 Ų145118.4 Ų118.467%0.67160%0.6SS**Hα-helixtrans-64.5-37.6173.9-176.5-82.6000112.5R176 R177 V178 G184R176-H180 VanDerWaalsContact O-CB 3.31Å; R176-H180 WeakPolarHBondContact O-CB 3.44Å; R176-H180 PolarHBondContact O-N 2.94Å; R177-H180 PolarHBondContact O-N 3.21Å; V178-H180 PolarHBondContact O-N 3.44Å; H180-G184 PolarHBondContact O-N 2.85Å
181L63Low63.8Low114 Ų114122.2 Ų122.260%0.59761%0.609SS**Hα-helixtrans-66.9-48.6175.6-77159.2000111.2R177 V178 G179 H183 G184 T185R177-L181 WeakPolarHBondContact O-CB 3.31Å; R177-L181 WeakPolarHBondContact O-CD1 3.48Å; R177-L181 WeakPolarHBondContact O-CG 3.43Å; R177-L181 PolarHBondContact O-N 3.3Å; V178-L181 PolarHBondContact O-N 3.41Å; G179-L181 VanDerWaalsContact C-N 3.34Å; L181-H183 PolarHBondContact O-N 3.08Å; L181-G184 PolarHBondContact O-N 3.03Å; L181-T185 PolarHBondContact O-N 3.05Å; L181-T185 VanDerWaalsContact O-N 3.08Å; L181-T185 PolarHBondContact O-OG1 3.48Å
182M60.2Low62.9Low129 Ų129121 Ų12164%0.63562%0.615SS**Hα-helixtrans-64-40.8-179.1-64.8-151-62.800112.7V178 G179 G184V178-M182 HydrophobicContact CG1-CG 4.42Å; V178-M182 WeakPolarHBondContact O-CG 3.45Å; V178-M182 PolarHBondContact O-N 3Å; G179-M182 PolarHBondContact O-N 2.9Å; M182-G184 VanDerWaalsContact C-N 3.31Å; M182-G184 PolarHBondContact O-N 3.48Å
183H59.9Low61.6Low128 Ų128126.6 Ų126.659%0.59365%0.649SS**Hα-helixtrans-78.7-15.8178.4-146.267000113.6G179 L181G179-H183 WeakPolarHBondContact O-CB 3.34Å; G179-H183 PolarHBondContact O-N 3.21Å; L181-H183 PolarHBondContact O-N 3.08Å
184G58.4Low60.8Low36 Ų36124.3 Ų124.337%0.37165%0.649SS.*Hα-helixtrans-78.2-38.417200000112.2H180 L181 M182 R187 G188H180-G184 PolarHBondContact O-N 2.85Å; L181-G184 PolarHBondContact O-N 3.03Å; M182-G184 VanDerWaalsContact C-N 3.31Å; M182-G184 PolarHBondContact O-N 3.48Å; G184-R187 PolarHBondContact O-N 3.49Å; G184-G188 PolarHBondContact O-N 3.35Å
185T57.4Low60.1Low89 Ų89123.5 Ų123.555%0.54665%0.652SS.*Hα-helixtrans-69.3-37.9-178.9-37.10000112L181 R187 G188 V189L181-T185 PolarHBondContact O-N 3.05Å; L181-T185 VanDerWaalsContact O-N 3.08Å; L181-T185 PolarHBondContact O-OG1 3.48Å; T185-R187 VanDerWaalsContact C-N 3.26Å; T185-R187 PolarHBondContact O-N 3.04Å; T185-G188 PolarHBondContact O-N 3.31Å; T185-V189 PolarHBondContact O-N 3.37Å
186D55.5Low59.5Low126 Ų126122.9 Ų122.967%0.67465%0.651SS**Hα-helixtrans-64.4-30.2176.2-84.8-23.8000113G188D186-G188 VanDerWaalsContact C-N 3.3Å; D186-G188 PolarHBondContact O-N 3.28Å
187R57.2Low58.9Low194 Ų194118.7 Ų118.773%0.73265%0.646SS**Hα-helixtrans-79.2-12.6175-69.8-163-73.9168.9-3.4113.8G184 T185G184-R187 PolarHBondContact O-N 3.49Å; T185-R187 VanDerWaalsContact C-N 3.26Å; T185-R187 PolarHBondContact O-N 3.04Å
188G53.6Low57.9Low53 Ų53115.8 Ų115.855%0.54665%0.647SS.*Hα-helixtrans-91.7-2417700000114.3G184 T185 D186G184-G188 PolarHBondContact O-N 3.35Å; T185-G188 PolarHBondContact O-N 3.31Å; D186-G188 VanDerWaalsContact C-N 3.3Å; D186-G188 PolarHBondContact O-N 3.28Å
189V54.1Low56.9Low109 Ų109118.1 Ų118.166%0.66166%0.658SS**Hα-helixtrans-87.7-20.9-174.6177.40000112.8T185 R191T185-V189 PolarHBondContact O-N 3.37Å; V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 3.32Å
190G54.3Low56.1Low69 Ų69124 Ų12471%0.71168%0.678SS**THydrogen-bonded Turntrans-84.113.6178.900000116.4
191R53.4Low55.5Low234 Ų234122.4 Ų122.488%0.88368%0.679SS**THydrogen-bonded Turntrans-129.111.7-177.4-115.5-175.2-173.7178.42115.6V189V189-R191 VanDerWaalsContact C-N 3.32Å; V189-R191 PolarHBondContact O-N 3.32Å
192A50Low54.8Low75 Ų75123.1 Ų123.162%0.6269%0.686SS**  trans-115.8107.4172.400000109.4
193N44Very low54.3Low235 Ų235122.5 Ų122.5100%1.25769%0.69SS**  trans76.70-179.5-60.9-24.5000117

Retrieved 193 of 193 residues in 260.4 ms (Link to these results)