A0A077Z2N8_TRITR Loading...

Two pore potassium channel protein sup-9

AlphaFold DB , UniProt , Accession A0A077Z2N8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 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
1M66.9Low89.4Confident196 Ų196125.6 Ų125.697%0.96661%0.609SS**  0-40.90-144.1174.2-172.700112.5R4 K5M1-R4 PolarHBondContact O-N 2.77Å; M1-K5 PolarHBondContact O-N 3.39Å
2Q78.2Confident90Very high118 Ų118124.9 Ų124.955%0.55161%0.609SS**Hα-helixtrans-60.9-43.7179.1-166.965.4400114.2R4 K5 N6Q2-R4 VanDerWaalsContact C-N 3.28Å; Q2-R4 PolarHBondContact O-N 3.43Å; Q2-K5 WeakPolarHBondContact O-CB 3.42Å; Q2-K5 PolarHBondContact O-N 3.12Å; Q2-N6 PolarHBondContact NE2-OD1 2.95Å; Q2-N6 PolarHBondContact O-N 3.41Å; Q2-N6 PolarHBondContact O-OD1 3.45Å
3T87.1Confident90.6Very high114 Ų114122.9 Ų122.970%0.69960%0.601SS**Hα-helixtrans-58.6-37.8180-37.40000112.8N6 F7T3-N6 PolarHBondContact O-N 2.84Å; T3-F7 WeakPolarHBondContact O-CB 3.39Å; T3-F7 PolarHBondContact O-N 3.18Å
4R90.1Very high91.1Very high207 Ų207120.7 Ų120.778%0.78159%0.592SS**Hα-helixtrans-68.1-36.7175.2-70.9-171.3-177.9-175.70.8112.3M1 Q2 R8M1-R4 PolarHBondContact O-N 2.77Å; Q2-R4 VanDerWaalsContact C-N 3.28Å; Q2-R4 PolarHBondContact O-N 3.43Å; R4-R8 WeakPolarHBondContact O-CG 3.44Å; R4-R8 PolarHBondContact O-N 3.25Å; R4-R8 VanDerWaalsContact O-N 3.08Å
5K90.3Very high91.6Very high126 Ų126118.1 Ų118.155%0.54859%0.59SS.*Hα-helixtrans-66.4-45.6175-67.3-177.6179.4-179.20110.8M1 Q2 F7 R8 A9M1-K5 PolarHBondContact O-N 3.39Å; Q2-K5 WeakPolarHBondContact O-CB 3.42Å; Q2-K5 PolarHBondContact O-N 3.12Å; K5-F7 PolarHBondContact O-N 2.92Å; K5-R8 PolarHBondContact O-N 3.22Å; K5-A9 PolarHBondContact O-N 2.96Å
6N92.9Very high92Very high91 Ų91115.8 Ų115.849%0.48758%0.583SS.*Hα-helixtrans-61.7-43.9177.4-65.6-0000111.5Q2 T3 A9 L10Q2-N6 PolarHBondContact NE2-OD1 2.95Å; Q2-N6 PolarHBondContact O-N 3.41Å; Q2-N6 PolarHBondContact O-OD1 3.45Å; T3-N6 PolarHBondContact O-N 2.84Å; N6-A9 PolarHBondContact O-N 3.39Å; N6-L10 WeakPolarHBondContact O-CB 3.47Å; N6-L10 PolarHBondContact O-N 3.42Å
7F95.4Very high92.3Very high150 Ų150114.7 Ų114.766%0.65858%0.579SS**Hα-helixtrans-61.1-45.7176.1-178.2-97.4000112.1T3 K5 A9 L10 A11T3-F7 WeakPolarHBondContact O-CB 3.39Å; T3-F7 PolarHBondContact O-N 3.18Å; K5-F7 PolarHBondContact O-N 2.92Å; F7-A9 VanDerWaalsContact C-N 3.35Å; F7-A9 PolarHBondContact O-N 3.38Å; F7-L10 PolarHBondContact O-N 3.1Å; F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.2Å
8R94.9Very high92.7Very high186 Ų186112.6 Ų112.670%0.70258%0.576SS**Hα-helixtrans-61.2-42176.2-74.8176.265175.20.3112.2R4 K5 A11 L12R4-R8 WeakPolarHBondContact O-CG 3.44Å; R4-R8 PolarHBondContact O-N 3.25Å; R4-R8 VanDerWaalsContact O-N 3.08Å; K5-R8 PolarHBondContact O-N 3.22Å; R8-A11 PolarHBondContact O-N 2.98Å; R8-L12 WeakPolarHBondContact O-CG 3.29Å; R8-L12 PolarHBondContact O-N 3.33Å
9A94.7Very high92.9Very high51 Ų51115.8 Ų115.842%0.42158%0.581SS.*Hα-helixtrans-62.8-47.217700000111.4K5 N6 F7 A11 L12 I13K5-A9 PolarHBondContact O-N 2.96Å; N6-A9 PolarHBondContact O-N 3.39Å; F7-A9 VanDerWaalsContact C-N 3.35Å; F7-A9 PolarHBondContact O-N 3.38Å; A9-A11 PolarHBondContact O-N 3.34Å; A9-L12 PolarHBondContact O-N 3.39Å; A9-I13 WeakPolarHBondContact O-CG1 3.37Å; A9-I13 PolarHBondContact O-N 2.87Å
10L96.5Very high93.2Very high98 Ų98115.6 Ų115.651%0.51358%0.581SS.*Hα-helixtrans-61.8-43.5177.6-173.865.9000111.8N6 F7 L12 I13 I14N6-L10 WeakPolarHBondContact O-CB 3.47Å; N6-L10 PolarHBondContact O-N 3.42Å; F7-L10 PolarHBondContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.97Å; L10-I14 HydrophobicContact CD1-CD1 4.41Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.86Å
11A96.8Very high93.5Very high45 Ų45116.6 Ų116.637%0.37259%0.586SS.*Hα-helixtrans-61.1-40.7176.400000112.3F7 R8 A9 I14 C15F7-A11 WeakPolarHBondContact O-CB 3.39Å; F7-A11 PolarHBondContact O-N 3.2Å; R8-A11 PolarHBondContact O-N 2.98Å; A9-A11 PolarHBondContact O-N 3.34Å; A11-I14 PolarHBondContact O-N 3.38Å; A11-C15 VanDerWaalsContact O-CB 3.23Å; A11-C15 WeakPolarHBondContact O-CB 3.31Å; A11-C15 PolarHBondContact O-N 3.23Å
12L96.6Very high95Very high117 Ų117112.6 Ų112.661%0.61357%0.568SS**Hα-helixtrans-66-39.5175.6-75.1170.6000112.3R8 A9 L10 T16R8-L12 WeakPolarHBondContact O-CG 3.29Å; R8-L12 PolarHBondContact O-N 3.33Å; A9-L12 PolarHBondContact O-N 3.39Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 2.87Å; L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 PolarHBondContact O-N 2.83Å; L12-T16 PolarHBondContact O-OG1 3.31Å
13I97.4Very high95.9Very high99 Ų99108 Ų10851%0.50855%0.553SS.*Hα-helixtrans-61.9-51.5175.5-68.1165.1000109.9A9 L10 C15 T16 L17A9-I13 WeakPolarHBondContact O-CG1 3.37Å; A9-I13 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.97Å; I13-C15 VanDerWaalsContact C-N 3.35Å; I13-C15 PolarHBondContact O-N 3.48Å; I13-T16 PolarHBondContact O-N 3.47Å; I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 2.98Å
14I98Very high96.5Very high92 Ų92105.5 Ų105.547%0.47254%0.543SS..Hα-helixtrans-59.5-46.9179.5-66.6168.4000110.5L10 A11 T16 L17 C18L10-I14 HydrophobicContact CD1-CD1 4.41Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.86Å; A11-I14 PolarHBondContact O-N 3.38Å; I14-T16 VanDerWaalsContact C-N 3.35Å; I14-T16 PolarHBondContact O-N 3.2Å; I14-L17 PolarHBondContact O-N 3.43Å; I14-C18 PolarHBondContact O-N 2.95Å; I14-C18 PolarHBondContact O-SG 2.99Å
15C97.9Very high96.9Very high82 Ų82100 Ų10055%0.55453%0.533SS*.Hα-helixtrans-60.2-43.3178.4-1760000112.2A11 I13 C18 Y19A11-C15 VanDerWaalsContact O-CB 3.23Å; A11-C15 WeakPolarHBondContact O-CB 3.31Å; A11-C15 PolarHBondContact O-N 3.23Å; I13-C15 VanDerWaalsContact C-N 3.35Å; I13-C15 PolarHBondContact O-N 3.48Å; C15-C18 PolarHBondContact O-N 2.9Å; C15-Y19 WeakPolarHBondContact O-CB 3.3Å; C15-Y19 PolarHBondContact O-N 3.47Å
16T97.6Very high97.2Very high80 Ų8097.3 Ų97.349%0.49153%0.526SS..Hα-helixtrans-64.3-42.2177.9-54.20000111.3L12 I13 I14 Y19 L20L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 PolarHBondContact O-N 2.83Å; L12-T16 PolarHBondContact O-OG1 3.31Å; I13-T16 PolarHBondContact O-N 3.47Å; I14-T16 VanDerWaalsContact C-N 3.35Å; I14-T16 PolarHBondContact O-N 3.2Å; T16-Y19 PolarHBondContact O-N 2.94Å; T16-L20 HydrophobicContact CG2-CD1 4.33Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 WeakPolarHBondContact O-CG 3.4Å; T16-L20 PolarHBondContact O-N 3.42Å
17L98.3Very high97.5Very high98 Ų9899.5 Ų99.551%0.51353%0.532SS..Hα-helixtrans-63.9-44.8176.2-69.5173.3000111.6I13 I14 Y19 L20 M21I13-L17 HydrophobicContact CG2-CD1 3.95Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 2.98Å; I14-L17 PolarHBondContact O-N 3.43Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; L17-Y19 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-M21 WeakPolarHBondContact O-CG 3.28Å; L17-M21 PolarHBondContact O-N 3.24Å
18C98.3Very high97.6Very high76 Ų7697.5 Ų97.551%0.51453%0.528SS..Hα-helixtrans-61-41.2174.9-680000112I14 C15 M21 L22I14-C18 PolarHBondContact O-N 2.95Å; I14-C18 PolarHBondContact O-SG 2.99Å; C15-C18 PolarHBondContact O-N 2.9Å; C18-M21 PolarHBondContact O-N 3.43Å; C18-L22 PolarHBondContact O-N 3.25Å
19Y98.1Very high97.8Very high175 Ų17592.3 Ų92.369%0.68653%0.525SS*.Hα-helixtrans-64.8-41.6177.2-170.8-98.7000112C15 T16 L17 L22 G23C15-Y19 WeakPolarHBondContact O-CB 3.3Å; C15-Y19 PolarHBondContact O-N 3.47Å; T16-Y19 PolarHBondContact O-N 2.94Å; L17-Y19 VanDerWaalsContact C-N 3.32Å; L17-Y19 PolarHBondContact O-N 3.35Å; Y19-L22 PolarHBondContact O-N 3.46Å; Y19-G23 PolarHBondContact O-N 3.37Å
20L98.3Very high97.9Very high110 Ų11095.2 Ų95.258%0.57653%0.533SS*.Hα-helixtrans-61.6-42.7173.8-76.8169.8000111.9T16 L17 G23 A24T16-L20 HydrophobicContact CG2-CD1 4.33Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 WeakPolarHBondContact O-CG 3.4Å; T16-L20 PolarHBondContact O-N 3.42Å; L17-L20 PolarHBondContact O-N 2.84Å; L20-G23 PolarHBondContact O-N 3Å; L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.45Å
21M98.4Very high98Very high138 Ų13896 Ų9668%0.6853%0.534SS*.Hα-helixtrans-64.7-46177.3-71-170.475.900111.9L17 C18 G23 A24 T25L17-M21 WeakPolarHBondContact O-CG 3.28Å; L17-M21 PolarHBondContact O-N 3.24Å; C18-M21 PolarHBondContact O-N 3.43Å; M21-G23 VanDerWaalsContact C-N 3.33Å; M21-G23 PolarHBondContact O-N 3.38Å; M21-A24 PolarHBondContact O-N 3.13Å; M21-T25 PolarHBondContact O-N 3.22Å; M21-T25 PolarHBondContact O-OG1 2.94Å; M21-T25 VanDerWaalsContact O-OG1 3.09Å
22L98.4Very high98Very high111 Ų11196.2 Ų96.258%0.58153%0.532SS*.Hα-helixtrans-57.6-47.4175.7-179.967.3000111.1C18 Y19 T25 V26C18-L22 PolarHBondContact O-N 3.25Å; Y19-L22 PolarHBondContact O-N 3.46Å; L22-T25 PolarHBondContact O-N 3.34Å; L22-V26 HydrophobicContact CD1-CG2 4.41Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.49Å
23G98.3Very high98Very high23 Ų2396.2 Ų96.224%0.23753%0.53CS..Hα-helixtrans-58.7-47.6176.300000112.1Y19 L20 M21 T25 V26 F27Y19-G23 PolarHBondContact O-N 3.37Å; L20-G23 PolarHBondContact O-N 3Å; M21-G23 VanDerWaalsContact C-N 3.33Å; M21-G23 PolarHBondContact O-N 3.38Å; G23-T25 PolarHBondContact O-N 2.93Å; G23-V26 PolarHBondContact O-N 2.93Å; G23-F27 WeakPolarHBondContact O-CB 3.42Å; G23-F27 WeakPolarHBondContact O-CD2 3.49Å; G23-F27 PolarHBondContact O-N 3.31Å
24A98.4Very high98Very high60 Ų6094.7 Ų94.750%0.49653%0.525SS..Hα-helixtrans-58.7-44.717800000112.2L20 M21 D28L20-A24 WeakPolarHBondContact O-CB 3.34Å; L20-A24 PolarHBondContact O-N 3.45Å; M21-A24 PolarHBondContact O-N 3.13Å; A24-D28 VanDerWaalsContact O-CB 3.27Å; A24-D28 WeakPolarHBondContact O-CB 3.31Å; A24-D28 PolarHBondContact O-N 3.45Å
25T98.5Very high98Very high92 Ų9293.6 Ų93.656%0.56452%0.52SS*.Hα-helixtrans-64.9-43.6177.7-56.50000112.2M21 L22 G23 D28 A29M21-T25 PolarHBondContact O-N 3.22Å; M21-T25 PolarHBondContact O-OG1 2.94Å; M21-T25 VanDerWaalsContact O-OG1 3.09Å; L22-T25 PolarHBondContact O-N 3.34Å; G23-T25 PolarHBondContact O-N 2.93Å; T25-D28 PolarHBondContact O-N 2.91Å; T25-A29 WeakPolarHBondContact O-CB 3.41Å; T25-A29 PolarHBondContact O-N 3.2Å
26V98.5Very high97.9Very high69 Ų6992.6 Ų92.642%0.41851%0.514SS..Hα-helixtrans-65.3-45.4178.6171.90000110.9L22 G23 A29 L30L22-V26 HydrophobicContact CD1-CG2 4.41Å; L22-V26 WeakPolarHBondContact O-CG2 3.27Å; L22-V26 PolarHBondContact O-N 3.49Å; G23-V26 PolarHBondContact O-N 2.93Å; V26-A29 PolarHBondContact O-N 3.17Å; V26-L30 HydrophobicContact CG1-CD1 3.69Å; V26-L30 HydrophobicContact CG1-CG 4.33Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.41Å; V26-L30 PolarHBondContact O-N 3.43Å
27F98.4Very high97.9Very high137 Ų13795.2 Ų95.260%0.60152%0.515SS*.Hα-helixtrans-65-40.3177.6-74.2-56.8000112.5G23 A29 L30 E31G23-F27 WeakPolarHBondContact O-CB 3.42Å; G23-F27 WeakPolarHBondContact O-CD2 3.49Å; G23-F27 PolarHBondContact O-N 3.31Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-A29 PolarHBondContact O-N 2.85Å; F27-L30 PolarHBondContact O-N 3.14Å; F27-E31 WeakPolarHBondContact O-CB 3.28Å; F27-E31 PolarHBondContact O-N 2.97Å
28D98.3Very high97.8Very high109 Ų10996.9 Ų96.958%0.58352%0.518SS*.Hα-helixtrans-60.7-45.3174.8-175.152.6000111.2A24 T25 L30 S32A24-D28 VanDerWaalsContact O-CB 3.27Å; A24-D28 WeakPolarHBondContact O-CB 3.31Å; A24-D28 PolarHBondContact O-N 3.45Å; T25-D28 PolarHBondContact O-N 2.91Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.36Å; D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.43Å; D28-S32 VanDerWaalsContact O-N 3.11Å; D28-S32 PolarHBondContact O-OG 2.96Å
29A97.9Very high97.7Very high77 Ų77100.9 Ų100.964%0.63652%0.522SS*.Hα-helixtrans-63.4-34.9177.300000113.4T25 V26 F27T25-A29 WeakPolarHBondContact O-CB 3.41Å; T25-A29 PolarHBondContact O-N 3.2Å; V26-A29 PolarHBondContact O-N 3.17Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-A29 PolarHBondContact O-N 2.85Å
30L98Very high97.7Very high112 Ų11297.9 Ų97.959%0.58652%0.518SS*.Hα-helixtrans-84.8-36.9-177.4-67.6174.6000113.5V26 F27 D28V26-L30 HydrophobicContact CG1-CD1 3.69Å; V26-L30 HydrophobicContact CG1-CG 4.33Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 VanDerWaalsContact O-CG 3.25Å; V26-L30 WeakPolarHBondContact O-CG 3.41Å; V26-L30 PolarHBondContact O-N 3.43Å; F27-L30 PolarHBondContact O-N 3.14Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.36Å
31E97.9Very high97.6Very high115 Ų11598 Ų9854%0.53752%0.519SS..Hα-helixtrans-106.5-23.9-167.4-65.3-66.8155.800114.1F27 E33 T34 D35F27-E31 WeakPolarHBondContact O-CB 3.28Å; F27-E31 PolarHBondContact O-N 2.97Å; E31-E33 PolarHBondContact O-N 3.19Å; E31-T34 PolarHBondContact O-N 2.88Å; E31-D35 PolarHBondContact O-N 3.37Å
32S97.2Very high97.4Very high48 Ų4896.1 Ų96.134%0.33651%0.511SS..Hα-helixtrans-60.6-42.8-171.459.70000113.8D28 S36D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.43Å; D28-S32 VanDerWaalsContact O-N 3.11Å; D28-S32 PolarHBondContact O-OG 2.96Å; S32-S36 WeakPolarHBondContact O-CB 3.43Å; S32-S36 PolarHBondContact O-N 3.43Å; S32-S36 PolarHBondContact O-OG 3.32Å
33E96.9Very high97.2Very high118 Ų11893.1 Ų93.155%0.55150%0.499SS*.Hα-helixtrans-67-41178.8-164.7-160.9148.500111.2E31 S36 R37E31-E33 PolarHBondContact O-N 3.19Å; E33-S36 PolarHBondContact O-N 2.95Å; E33-R37 WeakPolarHBondContact O-CB 3.2Å; E33-R37 WeakPolarHBondContact O-CG 3.49Å; E33-R37 PolarHBondContact O-N 3.46Å; E33-R37 PolarHBondContact O-NE 3.41Å; E33-R37 IonicContact OE1-CZ 3.06Å; E33-R37 IonicContact OE1-NE 3.54Å; E33-R37 PolarHBondContact OE1-NE 3.02Å; E33-R37 IonicContact OE1-NH1 3.36Å; E33-R37 PolarHBondContact OE1-NH1 3.31Å; E33-R37 VanDerWaalsContact OE1-NH1 3.16Å; E33-R37 IonicContact OE1-NH2 3.16Å; E33-R37 IonicContact OE2-NH2 3.14Å
34T96.5Very high97Very high67 Ų6793.4 Ų93.441%0.41150%0.503SS..Hα-helixtrans-69-42.2-179.9-59.40000111.4E31 S36 R37 K38E31-T34 PolarHBondContact O-N 2.88Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-S36 PolarHBondContact O-N 3.37Å; T34-R37 PolarHBondContact O-N 2.89Å; T34-R37 PolarHBondContact OG1-NH2 3.43Å; T34-K38 WeakPolarHBondContact O-CB 3.49Å; T34-K38 PolarHBondContact O-N 2.91Å
35D97Very high96.8Very high68 Ų6894 Ų9436%0.36450%0.497SS..Hα-helixtrans-61.4-43.9173.4-170.250.3000111E31 R37 K38 R39E31-D35 PolarHBondContact O-N 3.37Å; D35-R37 PolarHBondContact O-N 3.29Å; D35-K38 PolarHBondContact O-N 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.39Å; D35-R39 PolarHBondContact O-N 3.3Å; D35-R39 IonicContact OD1-NE 3.73Å; D35-R39 IonicContact OD2-CZ 3.49Å; D35-R39 IonicContact OD2-NE 2.75Å; D35-R39 PolarHBondContact OD2-NE 2.99Å; D35-R39 IonicContact OD2-NH2 3.45Å; D35-R39 PolarHBondContact OD2-NH2 2.97Å
36S97.3Very high96.5Very high62 Ų6292.4 Ų92.443%0.43448%0.483SS..Hα-helixtrans-60.8-45.2177.1-62.40000112.2S32 E33 T34 R39 N40S32-S36 WeakPolarHBondContact O-CB 3.43Å; S32-S36 PolarHBondContact O-N 3.43Å; S32-S36 PolarHBondContact O-OG 3.32Å; E33-S36 PolarHBondContact O-N 2.95Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-S36 PolarHBondContact O-N 3.37Å; S36-R39 PolarHBondContact O-N 3.42Å; S36-N40 WeakPolarHBondContact O-CB 3.49Å; S36-N40 VanDerWaalsContact O-CG 3.25Å; S36-N40 PolarHBondContact O-N 3.41Å; S36-N40 PolarHBondContact O-ND2 2.83Å
37R97.3Very high96.3Very high134 Ų13495 Ų9551%0.50649%0.488SS..Hα-helixtrans-61.4-44.1174.9-76.4-178.2-70.6-168.2-1111.8E33 T34 D35 N40 L41E33-R37 WeakPolarHBondContact O-CB 3.2Å; E33-R37 WeakPolarHBondContact O-CG 3.49Å; E33-R37 PolarHBondContact O-N 3.46Å; E33-R37 PolarHBondContact O-NE 3.41Å; E33-R37 IonicContact OE1-CZ 3.06Å; E33-R37 IonicContact OE1-NE 3.54Å; E33-R37 PolarHBondContact OE1-NE 3.02Å; E33-R37 IonicContact OE1-NH1 3.36Å; E33-R37 PolarHBondContact OE1-NH1 3.31Å; E33-R37 VanDerWaalsContact OE1-NH1 3.16Å; E33-R37 IonicContact OE1-NH2 3.16Å; E33-R37 IonicContact OE2-NH2 3.14Å; T34-R37 PolarHBondContact O-N 2.89Å; T34-R37 PolarHBondContact OG1-NH2 3.43Å; D35-R37 PolarHBondContact O-N 3.29Å; R37-N40 PolarHBondContact O-N 2.95Å; R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 3.47Å
38K96.4Very high96.1Very high134 Ų13497 Ų9758%0.58349%0.492SS*.Hα-helixtrans-63-43178.1-171.3177-179.5177.40111.8T34 D35 L41 L42T34-K38 WeakPolarHBondContact O-CB 3.49Å; T34-K38 PolarHBondContact O-N 2.91Å; D35-K38 PolarHBondContact O-N 3.31Å; K38-L41 PolarHBondContact O-N 3.1Å; K38-L42 HydrophobicContact CG-CD1 4.19Å; K38-L42 WeakPolarHBondContact O-CB 3.35Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 2.95Å
39R96.4Very high95.9Very high159 Ų15995.4 Ų95.460%0.648%0.483SS*.Hα-helixtrans-62.4-44.8174.7-72.4177.6-171.7-110.71.8112.1D35 S36 L42 S43D35-R39 WeakPolarHBondContact O-CG 3.39Å; D35-R39 PolarHBondContact O-N 3.3Å; D35-R39 IonicContact OD1-NE 3.73Å; D35-R39 IonicContact OD2-CZ 3.49Å; D35-R39 IonicContact OD2-NE 2.75Å; D35-R39 PolarHBondContact OD2-NE 2.99Å; D35-R39 IonicContact OD2-NH2 3.45Å; D35-R39 PolarHBondContact OD2-NH2 2.97Å; S36-R39 PolarHBondContact O-N 3.42Å; R39-L42 PolarHBondContact O-N 2.74Å; R39-S43 WeakPolarHBondContact O-CB 3.17Å; R39-S43 PolarHBondContact O-N 3.43Å; R39-S43 PolarHBondContact O-OG 2.8Å
40N96.9Very high95.7Very high113 Ų11395.9 Ų95.960%0.60447%0.468SS*.Hα-helixtrans-63.4-43.3177.6-72.3-22000111.5S36 R37 S43 G44S36-N40 WeakPolarHBondContact O-CB 3.49Å; S36-N40 VanDerWaalsContact O-CG 3.25Å; S36-N40 PolarHBondContact O-N 3.41Å; S36-N40 PolarHBondContact O-ND2 2.83Å; R37-N40 PolarHBondContact O-N 2.95Å; N40-S43 PolarHBondContact O-N 2.93Å; N40-S43 PolarHBondContact O-OG 2.91Å; N40-G44 PolarHBondContact O-N 3.45Å
41L96.2Very high95.6Very high111 Ų11199.6 Ų99.658%0.58148%0.475SS*.Hα-helixtrans-60.1-49.5174.4177.863.1000111.8R37 K38 G44 L45R37-L41 WeakPolarHBondContact O-CB 3.29Å; R37-L41 PolarHBondContact O-N 3.47Å; K38-L41 PolarHBondContact O-N 3.1Å; L41-G44 PolarHBondContact O-N 2.97Å; L41-L45 HydrophobicContact CD1-CD1 4.21Å; L41-L45 HydrophobicContact CD1-CG 4.33Å; L41-L45 HydrophobicContact CG-CD1 4.08Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3Å
42L94.2Very high95.5Very high100 Ų100101.3 Ų101.352%0.52448%0.481SS..Hα-helixtrans-62.9-43-179.7-74.5171.8000112K38 R39 G44 L45 E46K38-L42 HydrophobicContact CG-CD1 4.19Å; K38-L42 WeakPolarHBondContact O-CB 3.35Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 2.95Å; R39-L42 PolarHBondContact O-N 2.74Å; L42-G44 VanDerWaalsContact C-N 3.32Å; L42-G44 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 2.93Å; L42-E46 WeakPolarHBondContact O-CB 3.14Å; L42-E46 PolarHBondContact O-N 3.42Å
43S94.2Very high95.4Very high47 Ų47105.4 Ų105.433%0.32949%0.489SS..Hα-helixtrans-66.4-34.5176.770.90000112.4R39 N40 K47R39-S43 WeakPolarHBondContact O-CB 3.17Å; R39-S43 PolarHBondContact O-N 3.43Å; R39-S43 PolarHBondContact O-OG 2.8Å; N40-S43 PolarHBondContact O-N 2.93Å; N40-S43 PolarHBondContact O-OG 2.91Å; S43-K47 WeakPolarHBondContact O-CG 3.33Å; S43-K47 PolarHBondContact O-N 3.36Å; S43-K47 VanDerWaalsContact O-N 3.08Å
44G95.1Very high95.2Very high30 Ų30106.5 Ų106.531%0.30950%0.499SS..Hα-helixtrans-65.7-44.7172.100000112.6N40 L41 L42 K47 R48N40-G44 PolarHBondContact O-N 3.45Å; L41-G44 PolarHBondContact O-N 2.97Å; L42-G44 VanDerWaalsContact C-N 3.32Å; L42-G44 PolarHBondContact O-N 3.49Å; G44-K47 PolarHBondContact O-N 2.87Å; G44-R48 WeakPolarHBondContact O-CG 3.24Å; G44-R48 PolarHBondContact O-N 3.44Å
45L93.6Very high95Very high71 Ų71106.7 Ų106.737%0.37249%0.494SS..Hα-helixtrans-63.4-43.4175.7-74.1171.2000112L41 L42 K47 R48 L49L41-L45 HydrophobicContact CD1-CD1 4.21Å; L41-L45 HydrophobicContact CD1-CG 4.33Å; L41-L45 HydrophobicContact CG-CD1 4.08Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3Å; L42-L45 PolarHBondContact O-N 2.93Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-R48 PolarHBondContact O-N 3.43Å; L45-L49 WeakPolarHBondContact O-CG 3.28Å; L45-L49 PolarHBondContact O-N 3.34Å
46E92.9Very high94.8Very high59 Ų59106.8 Ų106.828%0.27650%0.498SS..Hα-helixtrans-55.1-52.8173.1166.8175.716500110.8L42 R48 L49 R50 F60L42-E46 WeakPolarHBondContact O-CB 3.14Å; L42-E46 PolarHBondContact O-N 3.42Å; E46-R48 VanDerWaalsContact C-N 3.26Å; E46-R48 PolarHBondContact O-N 2.83Å; E46-L49 PolarHBondContact O-N 3.33Å; E46-R50 HydrophobicContact CG-CG 4.29Å; E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.69Å; E46-R50 IonicContact OE1-NH1 2.63Å; E46-R50 PolarHBondContact OE1-NH1 3.47Å; E46-F60 HydrophobicContact CB-CE1 3.96Å; E46-F60 HydrophobicContact CB-CZ 4.01Å; E46-F60 HydrophobicContact CG-CD1 3.94Å; E46-F60 HydrophobicContact CG-CE1 3.39Å; E46-F60 HydrophobicContact CG-CZ 3.77Å
47K94Very high94.5Very high123 Ų123104.9 Ų104.954%0.53549%0.487SS..Hα-helixtrans-58.1-40179.6-74.7172.9-176174.80111.6S43 G44 L45 R51S43-K47 WeakPolarHBondContact O-CG 3.33Å; S43-K47 PolarHBondContact O-N 3.36Å; S43-K47 VanDerWaalsContact O-N 3.08Å; G44-K47 PolarHBondContact O-N 2.87Å; L45-K47 PolarHBondContact O-N 2.99Å; K47-R51 WeakPolarHBondContact O-CG 3.37Å; K47-R51 PolarHBondContact O-N 3.02Å; K47-R51 VanDerWaalsContact O-N 3.15Å
48R94.6Very high94.2Very high180 Ų180103 Ų10368%0.67949%0.488SS*.Hα-helixtrans-65.3-46.1176.8-75.4177.666.6-167.31.3112.1G44 L45 E46 R51 K52G44-R48 WeakPolarHBondContact O-CG 3.24Å; G44-R48 PolarHBondContact O-N 3.44Å; L45-R48 PolarHBondContact O-N 3.43Å; E46-R48 VanDerWaalsContact C-N 3.26Å; E46-R48 PolarHBondContact O-N 2.83Å; R48-R51 PolarHBondContact O-N 2.95Å; R48-K52 VanDerWaalsContact O-CB 3.24Å; R48-K52 WeakPolarHBondContact O-CB 3.33Å; R48-K52 PolarHBondContact O-N 3.15Å
49L93.8Very high94Very high75 Ų75100.5 Ų100.539%0.39348%0.48SS..Hα-helixtrans-64.9-44.6179.4-74.4171.7000111.6L45 E46 R51 K52 Y53 F60L45-L49 WeakPolarHBondContact O-CG 3.28Å; L45-L49 PolarHBondContact O-N 3.34Å; E46-L49 PolarHBondContact O-N 3.33Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.41Å; L49-K52 PolarHBondContact O-N 3.32Å; L49-Y53 HydrophobicContact CD2-CD2 4.05Å; L49-Y53 HydrophobicContact CD2-CE2 3.69Å; L49-Y53 PolarHBondContact O-N 2.96Å; L49-F60 HydrophobicContact CB-CE2 4.13Å; L49-F60 HydrophobicContact CD1-CE2 4.42Å
50R94.6Very high93.9Very high87 Ų8793.6 Ų93.633%0.32846%0.455SS..Hα-helixtrans-59.9-42.6178.2-71.8179.664.8-173.9-3.9112.3E46 N54 F55 G57 F60E46-R50 HydrophobicContact CG-CG 4.29Å; E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 WeakPolarHBondContact O-CG 3.37Å; E46-R50 PolarHBondContact O-N 2.69Å; E46-R50 IonicContact OE1-NH1 2.63Å; E46-R50 PolarHBondContact OE1-NH1 3.47Å; R50-N54 CarbonylContact O-C 3.49Å; R50-N54 WeakPolarHBondContact O-CA 3.47Å; R50-N54 PolarHBondContact O-N 3.48Å; R50-F55 HydrophobicContact CG-CB 4.24Å; R50-F55 PolarHBondContact O-N 3.34Å; R50-G57 VanDerWaalsContact NH2-CA 3.32Å; R50-F60 HydrophobicContact CG-CB 4.1Å; R50-F60 HydrophobicContact CG-CD1 4.39Å; R50-F60 HydrophobicContact CG-CD2 3.66Å; R50-F60 HydrophobicContact CG-CE2 4.16Å; R50-F60 HydrophobicContact CG-CG 3.78Å
51R94.5Very high93.6Very high190 Ų19094.6 Ų94.672%0.71745%0.45SS*.Hα-helixtrans-71.1-42.7175.4-67.8-178.5-147.3177.33.3112.9K47 R48 L49 Y53 N54K47-R51 WeakPolarHBondContact O-CG 3.37Å; K47-R51 PolarHBondContact O-N 3.02Å; K47-R51 VanDerWaalsContact O-N 3.15Å; R48-R51 PolarHBondContact O-N 2.95Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.41Å; R51-Y53 VanDerWaalsContact C-N 3.34Å; R51-Y53 PolarHBondContact O-N 2.83Å; R51-N54 PolarHBondContact O-OD1 2.96Å
52K95.9Very high93.5Very high152 Ų15293.8 Ų93.866%0.66145%0.449SS*.Hα-helixtrans-64.7-38.1-176.1-177.4176.6179.5-174.10112.4R48 L49R48-K52 VanDerWaalsContact O-CB 3.24Å; R48-K52 WeakPolarHBondContact O-CB 3.33Å; R48-K52 PolarHBondContact O-N 3.15Å; L49-K52 PolarHBondContact O-N 3.32Å
53Y94.6Very high93.5Very high133 Ų13392.4 Ų92.452%0.52244%0.442SS..THydrogen-bonded Turntrans-11110.1-176.1-59.9-70.2000113.4L49 R51 F55L49-Y53 HydrophobicContact CD2-CD2 4.05Å; L49-Y53 HydrophobicContact CD2-CE2 3.69Å; L49-Y53 PolarHBondContact O-N 2.96Å; R51-Y53 VanDerWaalsContact C-N 3.34Å; R51-Y53 PolarHBondContact O-N 2.83Å; Y53-F55 VanDerWaalsContact C-N 3.28Å; Y53-F55 HydrophobicContact CD2-CE2 4.45Å; Y53-F55 HydrophobicContact CG-CE2 4.48Å; Y53-F55 PolarHBondContact O-N 2.95Å
54N94.2Very high93.4Very high141 Ų14193.8 Ų93.875%0.75444%0.444SS*.THydrogen-bonded Turntrans51.939.3-179-67-24.4000114.5R50 R51 T56R50-N54 CarbonylContact O-C 3.49Å; R50-N54 WeakPolarHBondContact O-CA 3.47Å; R50-N54 PolarHBondContact O-N 3.48Å; R51-N54 PolarHBondContact O-OD1 2.96Å; N54-T56 PolarHBondContact O-N 3.35Å
55F92.3Very high93.3Very high71 Ų7195.6 Ų95.631%0.31145%0.449SS..  trans-71.7129.7175.4-74.6-55.7000111.6R50 Y53 D59 F60 L63R50-F55 HydrophobicContact CG-CB 4.24Å; R50-F55 PolarHBondContact O-N 3.34Å; Y53-F55 VanDerWaalsContact C-N 3.28Å; Y53-F55 HydrophobicContact CD2-CE2 4.45Å; Y53-F55 HydrophobicContact CG-CE2 4.48Å; Y53-F55 PolarHBondContact O-N 2.95Å; F55-D59 HydrophobicContact CD1-CB 3.97Å; F55-F60 HydrophobicContact CB-CB 4.28Å; F55-F60 HydrophobicContact CB-CD2 4.39Å; F55-F60 AromaticContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CG-CD2 4.41Å; F55-L63 HydrophobicContact CE2-CD2 3.87Å; F55-L63 HydrophobicContact CZ-CD2 4Å
56T92.5Very high93.2Very high71 Ų7196.5 Ų96.544%0.43646%0.457SS..  trans-65.2164.2164.571.30000110.4N54 D58 D59 F60N54-T56 PolarHBondContact O-N 3.35Å; T56-D58 PolarHBondContact O-N 3.42Å; T56-D59 WeakPolarHBondContact CB-OD2 3.29Å; T56-D59 PolarHBondContact OG1-N 2.85Å; T56-D59 PolarHBondContact OG1-OD2 3.26Å; T56-F60 PolarHBondContact O-N 3.24Å; T56-F60 VanDerWaalsContact O-N 3.13Å
57G89.7Confident93.2Very high21 Ų2197 Ų9722%0.21646%0.464CS..Hα-helixtrans-61.8-31176.600000112.8R50 R61R50-G57 VanDerWaalsContact NH2-CA 3.32Å; G57-R61 WeakPolarHBondContact O-CG 3.23Å; G57-R61 PolarHBondContact O-N 3.36Å; G57-R61 PolarHBondContact O-NH1 3.04Å; G57-R61 VanDerWaalsContact O-NH1 3.12Å
58D92.5Very high93Very high96 Ų9696.6 Ų96.651%0.51347%0.466SS..Hα-helixtrans-78.2-45.6-178.7-63.2-11.6000110.9T56 F60 R61 V62T56-D58 PolarHBondContact O-N 3.42Å; D58-F60 VanDerWaalsContact C-N 3.27Å; D58-F60 PolarHBondContact O-N 3.5Å; D58-R61 PolarHBondContact O-N 3.22Å; D58-R61 VanDerWaalsContact O-N 3.09Å; D58-R61 IonicContact OD1-CZ 3.06Å; D58-R61 IonicContact OD1-NH1 2.71Å; D58-R61 PolarHBondContact OD1-NH1 3.43Å; D58-R61 IonicContact OD1-NH2 3.96Å; D58-R61 PolarHBondContact OD1-NH2 3.01Å; D58-V62 WeakPolarHBondContact O-CG2 3.49Å; D58-V62 PolarHBondContact O-N 2.93Å
59D92.4Very high92.6Very high80 Ų8097.3 Ų97.343%0.42847%0.469SS..Hα-helixtrans-59.7-40.4176.8-60.6-35.3000111.6F55 T56 R61 V62 L63F55-D59 HydrophobicContact CD1-CB 3.97Å; T56-D59 WeakPolarHBondContact CB-OD2 3.29Å; T56-D59 PolarHBondContact OG1-N 2.85Å; T56-D59 PolarHBondContact OG1-OD2 3.26Å; D59-R61 VanDerWaalsContact C-N 3.34Å; D59-R61 PolarHBondContact O-N 2.81Å; D59-V62 PolarHBondContact O-N 2.91Å; D59-L63 PolarHBondContact O-N 3.3Å
60F92.6Very high92.4Very high14 Ų1495.6 Ų95.66%0.06146%0.464CS..Hα-helixtrans-65.8-37.4177.9-163.7-99.4000112E46 L49 R50 F55 T56 D58 L63 Q64E46-F60 HydrophobicContact CB-CE1 3.96Å; E46-F60 HydrophobicContact CB-CZ 4.01Å; E46-F60 HydrophobicContact CG-CD1 3.94Å; E46-F60 HydrophobicContact CG-CE1 3.39Å; E46-F60 HydrophobicContact CG-CZ 3.77Å; L49-F60 HydrophobicContact CB-CE2 4.13Å; L49-F60 HydrophobicContact CD1-CE2 4.42Å; R50-F60 HydrophobicContact CG-CB 4.1Å; R50-F60 HydrophobicContact CG-CD1 4.39Å; R50-F60 HydrophobicContact CG-CD2 3.66Å; R50-F60 HydrophobicContact CG-CE2 4.16Å; R50-F60 HydrophobicContact CG-CG 3.78Å; F55-F60 HydrophobicContact CB-CB 4.28Å; F55-F60 HydrophobicContact CB-CD2 4.39Å; F55-F60 AromaticContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CD2-CD2 3.99Å; F55-F60 HydrophobicContact CG-CD2 4.41Å; T56-F60 PolarHBondContact O-N 3.24Å; T56-F60 VanDerWaalsContact O-N 3.13Å; D58-F60 VanDerWaalsContact C-N 3.27Å; D58-F60 PolarHBondContact O-N 3.5Å; F60-L63 HydrophobicContact CD2-CD2 4.41Å; F60-L63 HydrophobicContact CE2-CD2 4.44Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.33Å; F60-Q64 HydrophobicContact CD1-CG 3.97Å; F60-Q64 VanDerWaalsContact CE1-CD 3.46Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CZ-CG 4.43Å; F60-Q64 WeakPolarHBondContact O-CG 3.39Å; F60-Q64 PolarHBondContact O-N 3.49Å
61R92.3Very high92Very high135 Ų13596.2 Ų96.251%0.50947%0.472SS..Hα-helixtrans-66.5-38.4174-72.3-167.1-44.4-86.88.8112G57 D58 D59 Q64 T65G57-R61 WeakPolarHBondContact O-CG 3.23Å; G57-R61 PolarHBondContact O-N 3.36Å; G57-R61 PolarHBondContact O-NH1 3.04Å; G57-R61 VanDerWaalsContact O-NH1 3.12Å; D58-R61 PolarHBondContact O-N 3.22Å; D58-R61 VanDerWaalsContact O-N 3.09Å; D58-R61 IonicContact OD1-CZ 3.06Å; D58-R61 IonicContact OD1-NH1 2.71Å; D58-R61 PolarHBondContact OD1-NH1 3.43Å; D58-R61 IonicContact OD1-NH2 3.96Å; D58-R61 PolarHBondContact OD1-NH2 3.01Å; D59-R61 VanDerWaalsContact C-N 3.34Å; D59-R61 PolarHBondContact O-N 2.81Å; R61-Q64 PolarHBondContact O-N 3.43Å; R61-T65 WeakPolarHBondContact O-CB 3.49Å; R61-T65 PolarHBondContact O-N 3.4Å; R61-T65 PolarHBondContact O-OG1 3.03Å
62V93.7Very high91.3Very high93 Ų9389.8 Ų89.856%0.56446%0.455SS*.Hα-helixtrans-61.3-47173.4174.60000109.8D58 D59 Q64 T65 V66D58-V62 WeakPolarHBondContact O-CG2 3.49Å; D58-V62 PolarHBondContact O-N 2.93Å; D59-V62 PolarHBondContact O-N 2.91Å; V62-Q64 PolarHBondContact O-N 3.43Å; V62-T65 WeakPolarHBondContact O-CB 3.36Å; V62-T65 PolarHBondContact O-N 3.27Å; V62-T65 VanDerWaalsContact O-N 3.17Å; V62-V66 WeakPolarHBondContact O-CG2 3.39Å; V62-V66 PolarHBondContact O-N 2.9Å
63L92.6Very high90.6Very high72 Ų7289 Ų8938%0.37745%0.454SS..Hα-helixtrans-58.5-48.4176-179.963.8000112F55 D59 F60 T65 V66 V67F55-L63 HydrophobicContact CE2-CD2 3.87Å; F55-L63 HydrophobicContact CZ-CD2 4Å; D59-L63 PolarHBondContact O-N 3.3Å; F60-L63 HydrophobicContact CD2-CD2 4.41Å; F60-L63 HydrophobicContact CE2-CD2 4.44Å; F60-L63 WeakPolarHBondContact O-CB 3.37Å; F60-L63 PolarHBondContact O-N 3.33Å; L63-T65 VanDerWaalsContact C-N 3.29Å; L63-T65 PolarHBondContact O-N 3.02Å; L63-V66 PolarHBondContact O-N 3.29Å; L63-V67 HydrophobicContact CD1-CG2 4.45Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 2.98Å
64Q92.6Very high89.9Confident76 Ų7690.6 Ų90.636%0.35546%0.463SS..Hα-helixtrans-57.9-42.5175.7-75.1175.5-52.600111.6F60 R61 V62 V67 I68F60-Q64 HydrophobicContact CD1-CG 3.97Å; F60-Q64 VanDerWaalsContact CE1-CD 3.46Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CZ-CG 4.43Å; F60-Q64 WeakPolarHBondContact O-CG 3.39Å; F60-Q64 PolarHBondContact O-N 3.49Å; R61-Q64 PolarHBondContact O-N 3.43Å; V62-Q64 PolarHBondContact O-N 3.43Å; Q64-V67 PolarHBondContact O-N 2.84Å; Q64-I68 WeakPolarHBondContact O-CB 3.42Å; Q64-I68 VanDerWaalsContact O-CG1 3.3Å; Q64-I68 WeakPolarHBondContact O-CG1 3.44Å; Q64-I68 PolarHBondContact O-N 3.37Å
65T92.4Very high89.1Confident68 Ų6887.4 Ų87.442%0.41746%0.457SS..Hα-helixtrans-62.9-43.8178.4-590000111.4R61 V62 L63 R69R61-T65 WeakPolarHBondContact O-CB 3.49Å; R61-T65 PolarHBondContact O-N 3.4Å; R61-T65 PolarHBondContact O-OG1 3.03Å; V62-T65 WeakPolarHBondContact O-CB 3.36Å; V62-T65 PolarHBondContact O-N 3.27Å; V62-T65 VanDerWaalsContact O-N 3.17Å; L63-T65 VanDerWaalsContact C-N 3.29Å; L63-T65 PolarHBondContact O-N 3.02Å; T65-R69 HydrophobicContact CG2-CG 4.48Å; T65-R69 WeakPolarHBondContact O-CB 3.41Å; T65-R69 VanDerWaalsContact O-CG 3.32Å; T65-R69 WeakPolarHBondContact O-CG 3.36Å; T65-R69 PolarHBondContact O-N 3.47Å
66V92.7Very high88.6Confident90 Ų9085.7 Ų85.755%0.54546%0.459SS..Hα-helixtrans-62.5-46.1175.6172.60000110.5V62 L63 R69 S70V62-V66 WeakPolarHBondContact O-CG2 3.39Å; V62-V66 PolarHBondContact O-N 2.9Å; L63-V66 PolarHBondContact O-N 3.29Å; V66-R69 PolarHBondContact O-N 3.27Å; V66-S70 VanDerWaalsContact O-CB 3.3Å; V66-S70 WeakPolarHBondContact O-CB 3.3Å; V66-S70 PolarHBondContact O-N 3.29Å; V66-S70 PolarHBondContact O-OG 2.95Å
67V92.4Very high87.9Confident70 Ų7090.1 Ų90.142%0.42447%0.472SS..Hα-helixtrans-59.5-53.1178.2172.30000110.6L63 Q64 R69 S70 I71L63-V67 HydrophobicContact CD1-CG2 4.45Å; L63-V67 WeakPolarHBondContact O-CG2 3.3Å; L63-V67 PolarHBondContact O-N 2.98Å; Q64-V67 PolarHBondContact O-N 2.84Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.98Å; V67-S70 PolarHBondContact O-N 3.46Å; V67-S70 PolarHBondContact O-OG 3.33Å; V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.47Å
68I89.7Confident87.7Confident113 Ų11390.9 Ų90.958%0.57947%0.47SS*.Hα-helixtrans-60.1-44-178.5-68.3168000111.1Q64 S70 I71Q64-I68 WeakPolarHBondContact O-CB 3.42Å; Q64-I68 VanDerWaalsContact O-CG1 3.3Å; Q64-I68 WeakPolarHBondContact O-CG1 3.44Å; Q64-I68 PolarHBondContact O-N 3.37Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 2.9Å; I68-I71 PolarHBondContact O-N 2.93Å
69R87.6Confident87.5Confident195 Ų19592.5 Ų92.574%0.73647%0.469SS*.Hα-helixtrans-68.2-24.4177.5-72.6-174.5177-166.61.3113.4T65 V66 V67T65-R69 HydrophobicContact CG2-CG 4.48Å; T65-R69 WeakPolarHBondContact O-CB 3.41Å; T65-R69 VanDerWaalsContact O-CG 3.32Å; T65-R69 WeakPolarHBondContact O-CG 3.36Å; T65-R69 PolarHBondContact O-N 3.47Å; V66-R69 PolarHBondContact O-N 3.27Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 2.98Å
70S87.7Confident87.4Confident40 Ų4095.2 Ų95.228%0.2848%0.477SS..Hα-helixtrans-80.7-22.8177.476.20000113.9V66 V67 I68 Q73 K74V66-S70 VanDerWaalsContact O-CB 3.3Å; V66-S70 WeakPolarHBondContact O-CB 3.3Å; V66-S70 PolarHBondContact O-N 3.29Å; V66-S70 PolarHBondContact O-OG 2.95Å; V67-S70 PolarHBondContact O-N 3.46Å; V67-S70 PolarHBondContact O-OG 3.33Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 2.9Å; S70-Q73 WeakPolarHBondContact O-CB 3.42Å; S70-Q73 PolarHBondContact O-N 3.25Å; S70-K74 PolarHBondContact O-N 2.86Å
71I86.4Confident87.5Confident100 Ų100102.8 Ų102.851%0.51351%0.511SS..Hα-helixtrans-53.2-50-175.5-68.9166.7000112.3V67 I68 Q73 K74V67-I71 WeakPolarHBondContact O-CG1 3.48Å; V67-I71 PolarHBondContact O-N 3.47Å; I68-I71 PolarHBondContact O-N 2.93Å; I71-Q73 PolarHBondContact O-N 2.96Å; I71-K74 WeakPolarHBondContact O-CB 3.3Å; I71-K74 PolarHBondContact O-N 2.99Å; I71-K74 VanDerWaalsContact O-N 3.15Å
72P81.1Confident87.5Confident54 Ų54100.1 Ų100.135%0.35152%0.517SS..Hα-helixtrans-63.7-29.5179.8-21.834.2000113.3K74 A75P72-K74 VanDerWaalsContact C-N 3.31Å; P72-A75 PolarHBondContact O-N 3.29Å
73Q79.8Confident87.5Confident137 Ų13796.8 Ų96.864%0.6450%0.501SS*.Hα-helixtrans-74.4-22.7179.9-57.8-64.7-22.500112.2S70 I71 A75 G76S70-Q73 WeakPolarHBondContact O-CB 3.42Å; S70-Q73 PolarHBondContact O-N 3.25Å; I71-Q73 PolarHBondContact O-N 2.96Å; Q73-A75 PolarHBondContact O-N 3.13Å; Q73-G76 PolarHBondContact O-N 3.2Å; Q73-G76 VanDerWaalsContact O-N 3.15Å
74K80.2Confident87.6Confident166 Ų16695 Ų9572%0.72250%0.497SS*.Hα-helixtrans-65.6-25.2176.3-68.7-171.6176.6-173.50113S70 I71 P72 G76S70-K74 PolarHBondContact O-N 2.86Å; I71-K74 WeakPolarHBondContact O-CB 3.3Å; I71-K74 PolarHBondContact O-N 2.99Å; I71-K74 VanDerWaalsContact O-N 3.15Å; P72-K74 VanDerWaalsContact C-N 3.31Å; K74-G76 PolarHBondContact O-N 3.05Å
75A78.3Confident87.7Confident74 Ų7497.6 Ų97.661%0.61251%0.508SS*.THydrogen-bonded Turntrans-78.78.4175.900000113.2P72 Q73 Q78P72-A75 PolarHBondContact O-N 3.29Å; Q73-A75 PolarHBondContact O-N 3.13Å; A75-Q78 VanDerWaalsContact CB-NE2 3.33Å; A75-Q78 PolarHBondContact O-NE2 3.08Å; A75-Q78 VanDerWaalsContact O-NE2 3.08Å
76G81.3Confident87.8Confident35 Ų3599 Ų9936%0.36151%0.506SS..  trans82.2-169.7-178.500000113.4Q73 K74 Q78Q73-G76 PolarHBondContact O-N 3.2Å; Q73-G76 VanDerWaalsContact O-N 3.15Å; K74-G76 PolarHBondContact O-N 3.05Å; G76-Q78 PolarHBondContact O-N 3.36Å; G76-Q78 PolarHBondContact O-NE2 3.5Å
77F79Confident87.9Confident163 Ų16396.1 Ų96.172%0.71549%0.486SS*.  trans-68.492.8-175.5-67.2-77.3000112.5W79 K80F77-W79 VanDerWaalsContact C-N 3.3Å; F77-W79 PolarHBondContact O-N 3.2Å; F77-K80 HydrophobicContact CB-CD 4.11Å; F77-K80 HydrophobicContact CB-CG 4.01Å
78Q84Confident88.1Confident37 Ų3793.9 Ų93.917%0.17348%0.475CS..THydrogen-bonded Turntrans-67.9-21.4-177.9-60.8-63.5-72.900114.7A75 G76 G83 H99 S100A75-Q78 VanDerWaalsContact CB-NE2 3.33Å; A75-Q78 PolarHBondContact O-NE2 3.08Å; A75-Q78 VanDerWaalsContact O-NE2 3.08Å; G76-Q78 PolarHBondContact O-N 3.36Å; G76-Q78 PolarHBondContact O-NE2 3.5Å; Q78-G83 CarbonylContact O-C 3.26Å; Q78-G83 VanDerWaalsContact O-C 3.26Å; Q78-G83 WeakPolarHBondContact O-CA 3.33Å; Q78-H99 PolarHBondContact OE1-ND1 3.16Å; Q78-S100 WeakPolarHBondContact CB-OG 3.49Å; Q78-S100 WeakPolarHBondContact CG-OG 3.37Å; Q78-S100 PolarHBondContact OE1-OG 3.03Å
79W89.2Confident88.5Confident131 Ų13191 Ų9150%0.49646%0.463SS..THydrogen-bonded Turntrans-109.914.7-172.6-66.8106.7000114.6F77 A84 F87F77-W79 VanDerWaalsContact C-N 3.3Å; F77-W79 PolarHBondContact O-N 3.2Å; W79-A84 HydrophobicContact CE3-CB 4.39Å; W79-F87 HydrophobicContact CH2-CB 4.39Å; W79-F87 AromaticContact CH2-CD1 3.78Å; W79-F87 HydrophobicContact CH2-CD1 3.78Å; W79-F87 AromaticContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CE1 4.04Å; W79-F87 HydrophobicContact CH2-CE2 4.25Å; W79-F87 AromaticContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CZ 4.27Å; W79-F87 HydrophobicContact CZ3-CB 4.24Å; W79-F87 AromaticContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CE1 4.38Å; W79-F87 AromaticContact CZ3-CG 3.96Å; W79-F87 HydrophobicContact CZ3-CG 3.96Å
80K90.8Very high88.9Confident137 Ų13782.4 Ų82.460%0.59643%0.432SS*.SBendtrans-69164160.2-71.5-171.8179-175.30109.3F77 A82 G83 A84F77-K80 HydrophobicContact CB-CD 4.11Å; F77-K80 HydrophobicContact CB-CG 4.01Å; K80-A82 VanDerWaalsContact C-N 3.28Å; K80-A82 PolarHBondContact O-N 3.02Å; K80-A82 VanDerWaalsContact O-N 3.1Å; K80-G83 PolarHBondContact O-N 3.45Å; K80-A84 PolarHBondContact O-N 3.05Å
81F93.5Very high89.4Confident173 Ų17381.6 Ų81.676%0.75943%0.425SS*.Hα-helixtrans-47.2-46.5-173.7-178-97.4000113.9G83 A84 F85F81-G83 PolarHBondContact O-N 3.34Å; F81-A84 PolarHBondContact O-N 3.45Å; F81-F85 VanDerWaalsContact O-CB 3.28Å; F81-F85 WeakPolarHBondContact O-CB 3.36Å; F81-F85 PolarHBondContact O-N 3.39Å
82A93Very high89.9Confident79 Ų7978.5 Ų78.565%0.65341%0.409SS*.Hα-helixtrans-59.3-44.8178.700000113.1K80 Y86K80-A82 VanDerWaalsContact C-N 3.28Å; K80-A82 PolarHBondContact O-N 3.02Å; K80-A82 VanDerWaalsContact O-N 3.1Å; A82-Y86 WeakPolarHBondContact O-CB 3.2Å; A82-Y86 PolarHBondContact O-N 3.01Å
83G92.7Very high90.6Very high22 Ų2277.6 Ų77.623%0.22740%0.403CS..Hα-helixtrans-73.2-34.817800000112.9Q78 K80 F81 Y86 F87Q78-G83 CarbonylContact O-C 3.26Å; Q78-G83 VanDerWaalsContact O-C 3.26Å; Q78-G83 WeakPolarHBondContact O-CA 3.33Å; K80-G83 PolarHBondContact O-N 3.45Å; F81-G83 PolarHBondContact O-N 3.34Å; G83-Y86 PolarHBondContact O-N 2.92Å; G83-F87 WeakPolarHBondContact O-CB 3.24Å; G83-F87 PolarHBondContact O-N 3.48Å
84A94.8Very high91.4Very high34 Ų3475.8 Ų75.828%0.28140%0.401SS..Hα-helixtrans-65.8-40.2172.600000112.1W79 K80 F81 F87 A88W79-A84 HydrophobicContact CE3-CB 4.39Å; K80-A84 PolarHBondContact O-N 3.05Å; F81-A84 PolarHBondContact O-N 3.45Å; A84-F87 PolarHBondContact O-N 3.27Å; A84-A88 WeakPolarHBondContact O-CB 3.46Å; A84-A88 PolarHBondContact O-N 2.95Å
85F96Very high92.2Very high132 Ų13271.4 Ų71.458%0.57939%0.388SS*.Hα-helixtrans-64.5-43.2174.4-178.4-94.8000111.5F81 A88 T89F81-F85 VanDerWaalsContact O-CB 3.28Å; F81-F85 WeakPolarHBondContact O-CB 3.36Å; F81-F85 PolarHBondContact O-N 3.39Å; F85-A88 PolarHBondContact O-N 3.48Å; F85-T89 WeakPolarHBondContact O-CB 3.26Å; F85-T89 PolarHBondContact O-N 3.21Å; F85-T89 PolarHBondContact O-OG1 3.13Å
86Y94.4Very high92.9Very high96 Ų9670.4 Ų70.438%0.37639%0.385SS..Hα-helixtrans-58.5-48.8172.1177.1-84.8000111.3A82 G83 A88 T89 V90 Y97 H99A82-Y86 WeakPolarHBondContact O-CB 3.2Å; A82-Y86 PolarHBondContact O-N 3.01Å; G83-Y86 PolarHBondContact O-N 2.92Å; Y86-A88 PolarHBondContact O-N 3.3Å; Y86-T89 WeakPolarHBondContact O-CB 3.31Å; Y86-T89 PolarHBondContact O-N 3.43Å; Y86-T89 VanDerWaalsContact O-N 3.15Å; Y86-V90 HydrophobicContact CD1-CG1 4.29Å; Y86-V90 HydrophobicContact CE1-CG1 3.73Å; Y86-V90 HydrophobicContact CE1-CG2 4.38Å; Y86-V90 HydrophobicContact CE2-CG1 4.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; Y86-Y97 HydrophobicContact CE1-CD2 4.37Å; Y86-Y97 AromaticContact CZ-CD2 3.99Å; Y86-Y97 WeakPolarHBondContact OH-CD2 3.4Å; Y86-Y97 WeakPolarHBondContact OH-CE2 3.32Å; Y86-H99 AromaticContact CE1-CE1 3.54Å; Y86-H99 AromaticContact CE1-NE2 3.14Å; Y86-H99 WeakPolarHBondContact CE1-NE2 3.27Å; Y86-H99 AromaticContact CZ-NE2 3.83Å
87F95.3Very high93.4Very high31 Ų3176 Ų7614%0.13640%0.396CS..Hα-helixtrans-57.2-47.9176.3175.1-98.2000111.7W79 G83 A84 T89 V90 V91 S100 P102W79-F87 HydrophobicContact CH2-CB 4.39Å; W79-F87 AromaticContact CH2-CD1 3.78Å; W79-F87 HydrophobicContact CH2-CD1 3.78Å; W79-F87 AromaticContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CD2 4Å; W79-F87 HydrophobicContact CH2-CE1 4.04Å; W79-F87 HydrophobicContact CH2-CE2 4.25Å; W79-F87 AromaticContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CG 3.76Å; W79-F87 HydrophobicContact CH2-CZ 4.27Å; W79-F87 HydrophobicContact CZ3-CB 4.24Å; W79-F87 AromaticContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CD1 3.81Å; W79-F87 HydrophobicContact CZ3-CE1 4.38Å; W79-F87 AromaticContact CZ3-CG 3.96Å; W79-F87 HydrophobicContact CZ3-CG 3.96Å; G83-F87 WeakPolarHBondContact O-CB 3.24Å; G83-F87 PolarHBondContact O-N 3.48Å; A84-F87 PolarHBondContact O-N 3.27Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.01Å; F87-V90 WeakPolarHBondContact O-CG2 3.35Å; F87-V90 PolarHBondContact O-N 3.26Å; F87-V91 HydrophobicContact CD1-CG2 4.31Å; F87-V91 HydrophobicContact CD2-CG2 4.4Å; F87-V91 HydrophobicContact CE1-CG2 3.82Å; F87-V91 HydrophobicContact CE2-CG2 3.92Å; F87-V91 HydrophobicContact CZ-CG2 3.59Å; F87-V91 VanDerWaalsContact O-CG2 3.31Å; F87-V91 WeakPolarHBondContact O-CG2 3.44Å; F87-V91 PolarHBondContact O-N 3.36Å; F87-V91 VanDerWaalsContact O-N 3.08Å; F87-S100 WeakPolarHBondContact CD2-O 3.48Å; F87-S100 WeakPolarHBondContact CE2-O 3.47Å; F87-P102 HydrophobicContact CE1-CG 4.14Å; F87-P102 HydrophobicContact CE2-CG 4.37Å; F87-P102 HydrophobicContact CZ-CG 3.59Å
88A96.7Very high94Very high23 Ų2370.7 Ų70.719%0.1939%0.387CS..Hα-helixtrans-59-38.5177.700000112.1A84 F85 Y86 I92 Y114A84-A88 WeakPolarHBondContact O-CB 3.46Å; A84-A88 PolarHBondContact O-N 2.95Å; F85-A88 PolarHBondContact O-N 3.48Å; Y86-A88 PolarHBondContact O-N 3.3Å; A88-I92 WeakPolarHBondContact O-CG1 3.19Å; A88-I92 PolarHBondContact O-N 2.88Å; A88-Y114 HydrophobicContact CB-CE1 4.19Å; A88-Y114 PolarHBondContact O-OH 3.15Å
89T96.8Very high94Very high53 Ų5372.8 Ų72.833%0.32540%0.397SS..Hα-helixtrans-66.6-47.5177.3-56.40000111.8F85 Y86 F87 V91 I92 T93F85-T89 WeakPolarHBondContact O-CB 3.26Å; F85-T89 PolarHBondContact O-N 3.21Å; F85-T89 PolarHBondContact O-OG1 3.13Å; Y86-T89 WeakPolarHBondContact O-CB 3.31Å; Y86-T89 PolarHBondContact O-N 3.43Å; Y86-T89 VanDerWaalsContact O-N 3.15Å; F87-T89 VanDerWaalsContact C-N 3.26Å; F87-T89 PolarHBondContact O-N 3.01Å; T89-V91 VanDerWaalsContact C-N 3.26Å; T89-V91 PolarHBondContact O-N 3.08Å; T89-I92 WeakPolarHBondContact O-CG1 3.26Å; T89-I92 PolarHBondContact O-N 3.39Å; T89-T93 HydrophobicContact CG2-CG2 4.29Å; T89-T93 WeakPolarHBondContact O-CB 3.3Å; T89-T93 VanDerWaalsContact O-CG2 3.3Å; T89-T93 WeakPolarHBondContact O-CG2 3.21Å; T89-T93 PolarHBondContact O-N 3.25Å; T89-T93 PolarHBondContact O-OG1 3.03Å
90V96.4Very high93.8Very high14 Ų1467.2 Ų67.29%0.08538%0.378CS..Hα-helixtrans-69.5-23.8-178.9-60.90000113.1Y86 F87 T93 T94 V95 G96 Y97Y86-V90 HydrophobicContact CD1-CG1 4.29Å; Y86-V90 HydrophobicContact CE1-CG1 3.73Å; Y86-V90 HydrophobicContact CE1-CG2 4.38Å; Y86-V90 HydrophobicContact CE2-CG1 4.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; F87-V90 WeakPolarHBondContact O-CG2 3.35Å; F87-V90 PolarHBondContact O-N 3.26Å; V90-T93 WeakPolarHBondContact CA-OG1 3.36Å; V90-T93 PolarHBondContact O-OG1 3.48Å; V90-T94 PolarHBondContact O-N 3.25Å; V90-V95 HydrophobicContact CB-CB 4.34Å; V90-V95 PolarHBondContact O-N 2.92Å; V90-G96 PolarHBondContact O-N 3Å; V90-Y97 HydrophobicContact CG1-CD2 3.87Å; V90-Y97 HydrophobicContact CG1-CE2 3.95Å
91V97.2Very high93.9Very high22 Ų2265 Ų6513%0.13338%0.376CS..Hα-helixtrans-71.2-52.5173170.90000111F87 T89 T93 T94 Y114 A115F87-V91 HydrophobicContact CD1-CG2 4.31Å; F87-V91 HydrophobicContact CD2-CG2 4.4Å; F87-V91 HydrophobicContact CE1-CG2 3.82Å; F87-V91 HydrophobicContact CE2-CG2 3.92Å; F87-V91 HydrophobicContact CZ-CG2 3.59Å; F87-V91 VanDerWaalsContact O-CG2 3.31Å; F87-V91 WeakPolarHBondContact O-CG2 3.44Å; F87-V91 PolarHBondContact O-N 3.36Å; F87-V91 VanDerWaalsContact O-N 3.08Å; T89-V91 VanDerWaalsContact C-N 3.26Å; T89-V91 PolarHBondContact O-N 3.08Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.08Å; V91-T94 PolarHBondContact O-N 3.33Å; V91-T94 VanDerWaalsContact O-N 3.13Å; V91-Y114 HydrophobicContact CB-CD1 4.38Å; V91-Y114 HydrophobicContact CB-CE1 4.2Å; V91-Y114 HydrophobicContact CG1-CD1 3.8Å; V91-Y114 HydrophobicContact CG1-CE1 4.04Å; V91-A115 HydrophobicContact CG1-CB 3.91Å
92I97.3Very high93.8Very high35 Ų3557.8 Ų57.818%0.17935%0.346CS..Hα-helixtrans-70.4-28.3-177.563.9176.5000113A88 T89 T94 Y114 N122A88-I92 WeakPolarHBondContact O-CG1 3.19Å; A88-I92 PolarHBondContact O-N 2.88Å; T89-I92 WeakPolarHBondContact O-CG1 3.26Å; T89-I92 PolarHBondContact O-N 3.39Å; I92-T94 VanDerWaalsContact C-N 3.25Å; I92-T94 PolarHBondContact O-N 3.37Å; I92-Y114 HydrophobicContact CG2-CD1 4.3Å; I92-Y114 HydrophobicContact CG2-CE1 3.42Å; I92-Y114 VanDerWaalsContact CG2-CE1 3.42Å; I92-Y114 HydrophobicContact CG2-CE2 4.42Å; I92-Y114 VanDerWaalsContact CG2-CZ 3.48Å; I92-Y114 VanDerWaalsContact CG2-OH 3.3Å; I92-Y114 WeakPolarHBondContact CG2-OH 3.49Å; I92-N122 HydrophobicContact CB-CB 4.16Å; I92-N122 HydrophobicContact CG1-CB 4.46Å; I92-N122 PolarHBondContact O-ND2 3.27Å
93T96.7Very high93.8Very high36 Ų3658.5 Ų58.522%0.22135%0.352CS..THydrogen-bonded Turntrans-82.1-2.4174.756.30000113T89 V90 V91 V95 F126T89-T93 HydrophobicContact CG2-CG2 4.29Å; T89-T93 WeakPolarHBondContact O-CB 3.3Å; T89-T93 VanDerWaalsContact O-CG2 3.3Å; T89-T93 WeakPolarHBondContact O-CG2 3.21Å; T89-T93 PolarHBondContact O-N 3.25Å; T89-T93 PolarHBondContact O-OG1 3.03Å; V90-T93 WeakPolarHBondContact CA-OG1 3.36Å; V90-T93 PolarHBondContact O-OG1 3.48Å; V91-T93 VanDerWaalsContact C-N 3.31Å; V91-T93 PolarHBondContact O-N 3.08Å; T93-V95 PolarHBondContact O-N 3.37Å; T93-V95 VanDerWaalsContact O-N 3.16Å; T93-V95 WeakPolarHBondContact OG1-CG2 3.35Å; T93-F126 HydrophobicContact CG2-CE2 4.22Å
94T97Very high93.9Very high98 Ų9861.7 Ų61.760%0.60137%0.367SS*.THydrogen-bonded Turntrans59.417.7-177.867.80000115V90 V91 I92 I119V90-T94 PolarHBondContact O-N 3.25Å; V91-T94 PolarHBondContact O-N 3.33Å; V91-T94 VanDerWaalsContact O-N 3.13Å; I92-T94 VanDerWaalsContact C-N 3.25Å; I92-T94 PolarHBondContact O-N 3.37Å; T94-I119 HydrophobicContact CG2-CB 4.41Å; T94-I119 HydrophobicContact CG2-CD1 3.72Å; T94-I119 HydrophobicContact CG2-CG1 3.72Å; T94-I119 HydrophobicContact CG2-CG2 3.81Å
95V96.3Very high94Very high74 Ų7468.9 Ų68.945%0.44839%0.393SS..  trans-71.8-49.7178.61750000111.1V90 T93 Y97V90-V95 HydrophobicContact CB-CB 4.34Å; V90-V95 PolarHBondContact O-N 2.92Å; T93-V95 PolarHBondContact O-N 3.37Å; T93-V95 VanDerWaalsContact O-N 3.16Å; T93-V95 WeakPolarHBondContact OG1-CG2 3.35Å; V95-Y97 HydrophobicContact CG1-CD1 4.12Å; V95-Y97 HydrophobicContact CG1-CD2 3.83Å; V95-Y97 HydrophobicContact CG1-CE1 3.77Å; V95-Y97 HydrophobicContact CG1-CE2 3.44Å; V95-Y97 VanDerWaalsContact CG1-CE2 3.44Å; V95-Y97 HydrophobicContact CG1-CG 4.15Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.42Å; V95-Y97 PolarHBondContact O-N 2.86Å
96G93.5Very high94.1Very high53 Ų5369.4 Ų69.455%0.54640%0.401SS..  trans55.850.4168.400000117.1V90 G98V90-G96 PolarHBondContact O-N 3Å; G96-G98 PolarHBondContact O-N 3.38Å
97Y92.1Very high94.2Very high153 Ų15365.8 Ų65.860%0.639%0.393SS*.  trans-54.5-26.3-178-65.9-68.8000116.2Y86 V90 V95 H99Y86-Y97 HydrophobicContact CE1-CD2 4.37Å; Y86-Y97 AromaticContact CZ-CD2 3.99Å; Y86-Y97 WeakPolarHBondContact OH-CD2 3.4Å; Y86-Y97 WeakPolarHBondContact OH-CE2 3.32Å; V90-Y97 HydrophobicContact CG1-CD2 3.87Å; V90-Y97 HydrophobicContact CG1-CE2 3.95Å; V95-Y97 HydrophobicContact CG1-CD1 4.12Å; V95-Y97 HydrophobicContact CG1-CD2 3.83Å; V95-Y97 HydrophobicContact CG1-CE1 3.77Å; V95-Y97 HydrophobicContact CG1-CE2 3.44Å; V95-Y97 VanDerWaalsContact CG1-CE2 3.44Å; V95-Y97 HydrophobicContact CG1-CG 4.15Å; V95-Y97 VanDerWaalsContact CG1-CZ 3.42Å; V95-Y97 PolarHBondContact O-N 2.86Å; Y97-H99 PolarHBondContact O-N 2.91Å
98G89.9Confident94.3Very high51 Ų5169.8 Ų69.853%0.52641%0.41SS..  trans81.8-1.8173.800000116.9G96 S100G96-G98 PolarHBondContact O-N 3.38Å; G98-S100 VanDerWaalsContact C-N 3.25Å; G98-S100 PolarHBondContact O-N 3.44Å
99H85.1Confident94.4Very high82 Ų8272 Ų7238%0.3842%0.421SS..SBendtrans-67.1-25.8174.964.888.1000113.3Q78 Y86 Y97Q78-H99 PolarHBondContact OE1-ND1 3.16Å; Y86-H99 AromaticContact CE1-CE1 3.54Å; Y86-H99 AromaticContact CE1-NE2 3.14Å; Y86-H99 WeakPolarHBondContact CE1-NE2 3.27Å; Y86-H99 AromaticContact CZ-NE2 3.83Å; Y97-H99 PolarHBondContact O-N 2.91Å
100S85.7Confident94.4Very high14 Ų1476 Ų7610%0.09843%0.434CS..SBendtrans-127.8123.6172.8-77.70000109.8Q78 F87 G98Q78-S100 WeakPolarHBondContact CB-OG 3.49Å; Q78-S100 WeakPolarHBondContact CG-OG 3.37Å; Q78-S100 PolarHBondContact OE1-OG 3.03Å; F87-S100 WeakPolarHBondContact CD2-O 3.48Å; F87-S100 WeakPolarHBondContact CE2-O 3.47Å; G98-S100 VanDerWaalsContact C-N 3.25Å; G98-S100 PolarHBondContact O-N 3.44Å
101T91.3Very high94.5Very high90 Ų9076.5 Ų76.555%0.55244%0.438SS*.  trans-134.7147.917957.30000110.7A103T101-A103 PolarHBondContact O-N 2.9Å; T101-A103 VanDerWaalsContact O-N 3.13Å
102P92.9Very high94.5Very high21 Ų2181.8 Ų81.814%0.13646%0.463CS..  trans-63.8116.7179-17.529.7000110.5F87 G107 K108 C111F87-P102 HydrophobicContact CE1-CG 4.14Å; F87-P102 HydrophobicContact CE2-CG 4.37Å; F87-P102 HydrophobicContact CZ-CG 3.59Å; P102-G107 VanDerWaalsContact CB-C 3.47Å; P102-K108 HydrophobicContact CB-CG 4.04Å; P102-K108 WeakPolarHBondContact O-CE 3.47Å; P102-K108 WeakPolarHBondContact O-CG 3.31Å; P102-C111 HydrophobicContact CG-CB 4.07Å
103A91.1Very high94.5Very high94 Ų9486.5 Ų86.578%0.77748%0.483SS*.  trans-80.9-28.9178.900000112.5T101T101-A103 PolarHBondContact O-N 2.9Å; T101-A103 VanDerWaalsContact O-N 3.13Å
104T95.6Very high94.6Very high89 Ų8988.3 Ų88.355%0.54649%0.486SS..SBendtrans-83.9147.8-176.263.30000111.6L106 G107 K108T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.13Å; T104-G107 PolarHBondContact O-N 3.25Å; T104-G107 PolarHBondContact OG1-N 2.99Å; T104-K108 WeakPolarHBondContact O-CG 3.14Å; T104-K108 PolarHBondContact O-N 2.95Å
105K97.1Very high94.6Very high186 Ų18684.7 Ų84.781%0.80947%0.466SS*.Hα-helixtrans-54.9-47.7174.7-67.9-177.1-179.5179.80110.8G107 K108 T109K105-G107 PolarHBondContact O-N 3.01Å; K105-K108 PolarHBondContact O-N 3.44Å; K105-T109 PolarHBondContact O-N 3.22Å; K105-T109 PolarHBondContact O-OG1 3.37Å; K105-T109 VanDerWaalsContact O-OG1 3.13Å
106L97.6Very high94.7Very high143 Ų14387 Ų8775%0.74948%0.475SS*.Hα-helixtrans-60.3-43.9177.8-173.966.4000112.3T104 K108 T109 F110T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.13Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.03Å; L106-T109 PolarHBondContact O-N 3.44Å; L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 PolarHBondContact O-N 3.46Å
107G97.1Very high94.9Very high20 Ų2088.9 Ų88.921%0.20648%0.479CS..Hα-helixtrans-63.7-37.8178.300000112.9P102 T104 K105 C111P102-G107 VanDerWaalsContact CB-C 3.47Å; T104-G107 PolarHBondContact O-N 3.25Å; T104-G107 PolarHBondContact OG1-N 2.99Å; K105-G107 PolarHBondContact O-N 3.01Å; G107-C111 VanDerWaalsContact O-CB 3.26Å; G107-C111 WeakPolarHBondContact O-CB 3.43Å; G107-C111 PolarHBondContact O-N 2.93Å
108K97.4Very high95.1Very high114 Ų11482 Ų8250%0.49645%0.454SS..Hα-helixtrans-65.9-47.3174.3-68.6-179.5-178.1-1760111.6P102 T104 K105 L106 C111 M112P102-K108 HydrophobicContact CB-CG 4.04Å; P102-K108 WeakPolarHBondContact O-CE 3.47Å; P102-K108 WeakPolarHBondContact O-CG 3.31Å; T104-K108 WeakPolarHBondContact O-CG 3.14Å; T104-K108 PolarHBondContact O-N 2.95Å; K105-K108 PolarHBondContact O-N 3.44Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.03Å; K108-C111 WeakPolarHBondContact O-CB 3.41Å; K108-C111 PolarHBondContact O-N 3.46Å; K108-M112 WeakPolarHBondContact O-CG 3.45Å; K108-M112 PolarHBondContact O-N 3.25Å
109T98.1Very high95.5Very high70 Ų7082 Ų8243%0.42944%0.442SS..Hα-helixtrans-60.9-45.8177.4-57.20000111.3K105 L106 C111 M112 F113K105-T109 PolarHBondContact O-N 3.22Å; K105-T109 PolarHBondContact O-OG1 3.37Å; K105-T109 VanDerWaalsContact O-OG1 3.13Å; L106-T109 PolarHBondContact O-N 3.44Å; T109-C111 VanDerWaalsContact C-N 3.33Å; T109-C111 PolarHBondContact O-N 3.31Å; T109-M112 WeakPolarHBondContact O-CB 3.4Å; T109-M112 PolarHBondContact O-N 2.98Å; T109-F113 HydrophobicContact CG2-CD2 4.01Å; T109-F113 HydrophobicContact CG2-CE2 3.66Å; T109-F113 VanDerWaalsContact O-CD2 3.24Å; T109-F113 WeakPolarHBondContact O-CD2 3.42Å; T109-F113 PolarHBondContact O-N 3.47Å
110F97.9Very high96.1Very high136 Ų13681.3 Ų81.360%0.59645%0.445SS*.Hα-helixtrans-58.7-45.2174.3177.9-97.5000111.6L106 M112 F113 Y114L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 PolarHBondContact O-N 3.46Å; F110-M112 VanDerWaalsContact C-N 3.27Å; F110-M112 PolarHBondContact O-N 2.89Å; F110-F113 PolarHBondContact O-N 3.35Å; F110-Y114 HydrophobicContact CE1-CD2 4.39Å; F110-Y114 HydrophobicContact CE1-CG 4.26Å; F110-Y114 HydrophobicContact CZ-CD2 4.32Å; F110-Y114 WeakPolarHBondContact O-CB 3.27Å; F110-Y114 PolarHBondContact O-N 3.26Å
111C97.6Very high96.7Very high25 Ų2586.8 Ų86.817%0.16947%0.472CS..Hα-helixtrans-58.6-36.9177.9-172.80000112.6P102 G107 K108 T109 A115P102-C111 HydrophobicContact CG-CB 4.07Å; G107-C111 VanDerWaalsContact O-CB 3.26Å; G107-C111 WeakPolarHBondContact O-CB 3.43Å; G107-C111 PolarHBondContact O-N 2.93Å; K108-C111 WeakPolarHBondContact O-CB 3.41Å; K108-C111 PolarHBondContact O-N 3.46Å; T109-C111 VanDerWaalsContact C-N 3.33Å; T109-C111 PolarHBondContact O-N 3.31Å; C111-A115 VanDerWaalsContact O-CB 3.26Å; C111-A115 WeakPolarHBondContact O-CB 3.26Å; C111-A115 PolarHBondContact O-N 2.92Å
112M97.4Very high97Very high133 Ų13383.1 Ų83.166%0.65545%0.449SS*.Hα-helixtrans-64-50176.8-67.2170.1-178.800111.5K108 T109 F110 A115 L116K108-M112 WeakPolarHBondContact O-CG 3.45Å; K108-M112 PolarHBondContact O-N 3.25Å; T109-M112 WeakPolarHBondContact O-CB 3.4Å; T109-M112 PolarHBondContact O-N 2.98Å; F110-M112 VanDerWaalsContact C-N 3.27Å; F110-M112 PolarHBondContact O-N 2.89Å; M112-A115 PolarHBondContact O-N 3.33Å; M112-L116 WeakPolarHBondContact O-CB 3.33Å; M112-L116 PolarHBondContact O-N 3.41Å
113F98.1Very high97.2Very high135 Ų13587.3 Ų87.359%0.59247%0.47SS*.Hα-helixtrans-66.7-39177.7-70.7-68.2000112.3T109 F110 L116 C117T109-F113 HydrophobicContact CG2-CD2 4.01Å; T109-F113 HydrophobicContact CG2-CE2 3.66Å; T109-F113 VanDerWaalsContact O-CD2 3.24Å; T109-F113 WeakPolarHBondContact O-CD2 3.42Å; T109-F113 PolarHBondContact O-N 3.47Å; F110-F113 PolarHBondContact O-N 3.35Å; F113-L116 PolarHBondContact O-N 2.89Å; F113-C117 PolarHBondContact O-N 3.2Å
114Y98Very high97.5Very high74 Ų7487 Ų8729%0.2946%0.458SS..Hα-helixtrans-62.2-43.9176.1178.9-104.8000111.8A88 V91 I92 F110 G118A88-Y114 HydrophobicContact CB-CE1 4.19Å; A88-Y114 PolarHBondContact O-OH 3.15Å; V91-Y114 HydrophobicContact CB-CD1 4.38Å; V91-Y114 HydrophobicContact CB-CE1 4.2Å; V91-Y114 HydrophobicContact CG1-CD1 3.8Å; V91-Y114 HydrophobicContact CG1-CE1 4.04Å; I92-Y114 HydrophobicContact CG2-CD1 4.3Å; I92-Y114 HydrophobicContact CG2-CE1 3.42Å; I92-Y114 VanDerWaalsContact CG2-CE1 3.42Å; I92-Y114 HydrophobicContact CG2-CE2 4.42Å; I92-Y114 VanDerWaalsContact CG2-CZ 3.48Å; I92-Y114 VanDerWaalsContact CG2-OH 3.3Å; I92-Y114 WeakPolarHBondContact CG2-OH 3.49Å; F110-Y114 HydrophobicContact CE1-CD2 4.39Å; F110-Y114 HydrophobicContact CE1-CG 4.26Å; F110-Y114 HydrophobicContact CZ-CD2 4.32Å; F110-Y114 WeakPolarHBondContact O-CB 3.27Å; F110-Y114 PolarHBondContact O-N 3.26Å; Y114-G118 WeakPolarHBondContact O-CA 3.34Å; Y114-G118 PolarHBondContact O-N 3.01Å
115A97.7Very high97.6Very high22 Ų2287 Ų8718%0.18245%0.453CS..Hα-helixtrans-65.8-40.2175.700000112.3V91 C111 M112 C117 G118 I119V91-A115 HydrophobicContact CG1-CB 3.91Å; C111-A115 VanDerWaalsContact O-CB 3.26Å; C111-A115 WeakPolarHBondContact O-CB 3.26Å; C111-A115 PolarHBondContact O-N 2.92Å; M112-A115 PolarHBondContact O-N 3.33Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-C117 PolarHBondContact O-N 3.48Å; A115-G118 PolarHBondContact O-N 3.36Å; A115-I119 HydrophobicContact CB-CD1 4Å; A115-I119 WeakPolarHBondContact O-CB 3.4Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.16Å; A115-I119 PolarHBondContact O-N 3.15Å
116L97.7Very high97.6Very high121 Ų12183.5 Ų83.563%0.63444%0.438SS*.Hα-helixtrans-56.7-44.4-179.3-177.367000112.4M112 F113 P120M112-L116 WeakPolarHBondContact O-CB 3.33Å; M112-L116 PolarHBondContact O-N 3.41Å; F113-L116 PolarHBondContact O-N 2.89Å; L116-P120 WeakPolarHBondContact O-CD 3.35Å; L116-P120 WeakPolarHBondContact O-CG 3.38Å
117C97Very high97.5Very high94 Ų9482.5 Ų82.564%0.63543%0.429SS*.Hα-helixtrans-88.2-36.2178-61.20000112.7F113 A115 P120 L121F113-C117 PolarHBondContact O-N 3.2Å; A115-C117 VanDerWaalsContact C-N 3.33Å; A115-C117 PolarHBondContact O-N 3.48Å; C117-P120 WeakPolarHBondContact O-CD 3.43Å; C117-L121 WeakPolarHBondContact O-CB 3.38Å; C117-L121 PolarHBondContact O-N 3.26Å
118G97.5Very high97.5Very high8 Ų884.6 Ų84.68%0.08244%0.44CS..Hα-helixtrans-72-37.5-173.100000113.8Y114 A115 L121 N122Y114-G118 WeakPolarHBondContact O-CA 3.34Å; Y114-G118 PolarHBondContact O-N 3.01Å; A115-G118 PolarHBondContact O-N 3.36Å; G118-L121 PolarHBondContact O-N 3.33Å; G118-N122 WeakPolarHBondContact O-CB 3Å; G118-N122 PolarHBondContact O-N 2.9Å
119I98Very high97.5Very high51 Ų5183.1 Ų83.126%0.26244%0.437SS..Hα-helixtrans-64.6-51.5180-64166000111.2T94 A115 L121 N122 L123T94-I119 HydrophobicContact CG2-CB 4.41Å; T94-I119 HydrophobicContact CG2-CD1 3.72Å; T94-I119 HydrophobicContact CG2-CG1 3.72Å; T94-I119 HydrophobicContact CG2-CG2 3.81Å; A115-I119 HydrophobicContact CB-CD1 4Å; A115-I119 WeakPolarHBondContact O-CB 3.4Å; A115-I119 VanDerWaalsContact O-CG1 3.27Å; A115-I119 WeakPolarHBondContact O-CG1 3.16Å; A115-I119 PolarHBondContact O-N 3.15Å; I119-L121 VanDerWaalsContact C-N 3.34Å; I119-L121 PolarHBondContact O-N 3.24Å; I119-N122 PolarHBondContact O-N 3.37Å; I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.37Å; I119-L123 WeakPolarHBondContact O-CG 3Å; I119-L123 PolarHBondContact O-N 3.43Å
120P97.9Very high97.3Very high68 Ų6881 Ų8144%0.44243%0.429SS..Hα-helixtrans-59.1-42.9175.7-24.734.5000113.2L116 C117 N122 L123 V124L116-P120 WeakPolarHBondContact O-CD 3.35Å; L116-P120 WeakPolarHBondContact O-CG 3.38Å; C117-P120 WeakPolarHBondContact O-CD 3.43Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 2.94Å; P120-L123 PolarHBondContact O-N 2.71Å; P120-V124 WeakPolarHBondContact O-CG2 3.37Å; P120-V124 PolarHBondContact O-N 2.91Å
121L97.5Very high97.1Very high128 Ų12879.6 Ų79.667%0.6742%0.424SS*.Hα-helixtrans-59.7-46.7177.9-179.567.4000111.2C117 G118 I119 V124 M125C117-L121 WeakPolarHBondContact O-CB 3.38Å; C117-L121 PolarHBondContact O-N 3.26Å; G118-L121 PolarHBondContact O-N 3.33Å; I119-L121 VanDerWaalsContact C-N 3.34Å; I119-L121 PolarHBondContact O-N 3.24Å; L121-V124 PolarHBondContact O-N 2.92Å; L121-M125 WeakPolarHBondContact O-CB 3.02Å; L121-M125 PolarHBondContact O-N 3.42Å
122N97.4Very high97Very high13 Ų1387.8 Ų87.87%0.0745%0.452CS..Hα-helixtrans-66-39.2179.1-179.669.8000112I92 G118 I119 P120 M125 F126I92-N122 HydrophobicContact CB-CB 4.16Å; I92-N122 HydrophobicContact CG1-CB 4.46Å; I92-N122 PolarHBondContact O-ND2 3.27Å; G118-N122 WeakPolarHBondContact O-CB 3Å; G118-N122 PolarHBondContact O-N 2.9Å; I119-N122 PolarHBondContact O-N 3.37Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 2.94Å; N122-M125 PolarHBondContact O-N 3.4Å; N122-M125 VanDerWaalsContact OD1-CE 3.28Å; N122-M125 WeakPolarHBondContact OD1-CE 3.02Å; N122-F126 WeakPolarHBondContact ND2-CD2 3.36Å; N122-F126 VanDerWaalsContact ND2-CE2 3.33Å; N122-F126 WeakPolarHBondContact ND2-CE2 3.35Å; N122-F126 WeakPolarHBondContact O-CB 3.26Å; N122-F126 VanDerWaalsContact O-CD2 3.29Å; N122-F126 WeakPolarHBondContact O-CD2 3.32Å; N122-F126 PolarHBondContact O-N 3.2Å; N122-F126 WeakPolarHBondContact OD1-CD2 3.33Å; N122-F126 WeakPolarHBondContact OD1-CE2 3.47Å
123L97.1Very high96.8Very high110 Ų11086 Ų8658%0.57644%0.444SS*.Hα-helixtrans-61.2-46.4175-74.1171.6000112.1I119 P120 F126 Q127I119-L123 HydrophobicContact CG2-CD1 3.99Å; I119-L123 HydrophobicContact CG2-CG 4.37Å; I119-L123 WeakPolarHBondContact O-CG 3Å; I119-L123 PolarHBondContact O-N 3.43Å; P120-L123 PolarHBondContact O-N 2.71Å; L123-F126 PolarHBondContact O-N 3.36Å; L123-Q127 PolarHBondContact O-N 2.93Å
124V98.1Very high96.5Very high86 Ų8683 Ų8352%0.52144%0.435SS..Hα-helixtrans-63.6-44.4176.7174.30000110.7P120 L121 F126 Q127 C128P120-V124 WeakPolarHBondContact O-CG2 3.37Å; P120-V124 PolarHBondContact O-N 2.91Å; L121-V124 PolarHBondContact O-N 2.92Å; V124-F126 PolarHBondContact O-N 2.91Å; V124-Q127 PolarHBondContact O-N 3.29Å; V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 2.95Å; V124-C128 VanDerWaalsContact O-SG 3.34Å
125M97.6Very high96.2Very high91 Ų9182.3 Ų82.345%0.44844%0.444SS..Hα-helixtrans-56.9-49175.6-178.8-167.271.900111.5L121 N122 Q127 C128 I129L121-M125 WeakPolarHBondContact O-CB 3.02Å; L121-M125 PolarHBondContact O-N 3.42Å; N122-M125 PolarHBondContact O-N 3.4Å; N122-M125 VanDerWaalsContact OD1-CE 3.28Å; N122-M125 WeakPolarHBondContact OD1-CE 3.02Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 2.68Å; M125-C128 PolarHBondContact O-N 3.37Å; M125-I129 HydrophobicContact CG-CD1 3.8Å; M125-I129 WeakPolarHBondContact O-CB 3.41Å; M125-I129 VanDerWaalsContact O-CG1 3.31Å; M125-I129 WeakPolarHBondContact O-CG1 3.37Å; M125-I129 PolarHBondContact O-N 3.43Å; M125-I129 HydrophobicContact SD-CD1 4.42Å
126F96.1Very high96Very high112 Ų11287.3 Ų87.349%0.49146%0.461SS..Hα-helixtrans-61.9-38.5177.8-90.3-63.3000112.5T93 N122 L123 V124 G130T93-F126 HydrophobicContact CG2-CE2 4.22Å; N122-F126 WeakPolarHBondContact ND2-CD2 3.36Å; N122-F126 VanDerWaalsContact ND2-CE2 3.33Å; N122-F126 WeakPolarHBondContact ND2-CE2 3.35Å; N122-F126 WeakPolarHBondContact O-CB 3.26Å; N122-F126 VanDerWaalsContact O-CD2 3.29Å; N122-F126 WeakPolarHBondContact O-CD2 3.32Å; N122-F126 PolarHBondContact O-N 3.2Å; N122-F126 WeakPolarHBondContact OD1-CD2 3.33Å; N122-F126 WeakPolarHBondContact OD1-CE2 3.47Å; L123-F126 PolarHBondContact O-N 3.36Å; V124-F126 PolarHBondContact O-N 2.91Å; F126-G130 PolarHBondContact O-N 3.43Å
127Q96.6Very high95.7Very high122 Ų12282.5 Ų82.557%0.5744%0.436SS*.Hα-helixtrans-63.7-48.6175.4-171.1-173.4-33.200111.3L123 V124 M125 I129 G130 E131L123-Q127 PolarHBondContact O-N 2.93Å; V124-Q127 PolarHBondContact O-N 3.29Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 2.68Å; Q127-I129 PolarHBondContact O-N 2.97Å; Q127-G130 PolarHBondContact O-N 3.34Å; Q127-G130 VanDerWaalsContact O-N 3.17Å; Q127-E131 PolarHBondContact NE2-OE1 3.06Å; Q127-E131 WeakPolarHBondContact O-CG 3.49Å; Q127-E131 PolarHBondContact O-N 2.95Å
128C97.2Very high95.3Very high64 Ų6479.2 Ų79.243%0.43242%0.416SS..Hα-helixtrans-61-43.5178.6-67.40000112V124 M125 E131 R132V124-C128 PolarHBondContact O-N 3.49Å; V124-C128 PolarHBondContact O-SG 2.95Å; V124-C128 VanDerWaalsContact O-SG 3.34Å; M125-C128 PolarHBondContact O-N 3.37Å; C128-E131 PolarHBondContact O-N 3.39Å; C128-R132 VanDerWaalsContact O-CG 3.27Å; C128-R132 WeakPolarHBondContact O-CG 3.36Å; C128-R132 PolarHBondContact O-N 3.3Å; C128-R132 VanDerWaalsContact O-N 3.13Å
129I96.6Very high95Very high82 Ų8286.5 Ų86.542%0.42144%0.442SS..Hα-helixtrans-63-44.2175.3-68.2170.7000110.1M125 Q127 E131 R132 L133M125-I129 HydrophobicContact CG-CD1 3.8Å; M125-I129 WeakPolarHBondContact O-CB 3.41Å; M125-I129 VanDerWaalsContact O-CG1 3.31Å; M125-I129 WeakPolarHBondContact O-CG1 3.37Å; M125-I129 PolarHBondContact O-N 3.43Å; M125-I129 HydrophobicContact SD-CD1 4.42Å; Q127-I129 PolarHBondContact O-N 2.97Å; I129-E131 PolarHBondContact O-N 2.95Å; I129-R132 PolarHBondContact O-N 3.43Å; I129-L133 HydrophobicContact CG2-CD1 3.77Å; I129-L133 HydrophobicContact CG2-CG 4.18Å; I129-L133 WeakPolarHBondContact O-CB 3.39Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.43Å
130G93.9Very high94.6Very high26 Ų2686.8 Ų86.827%0.26845%0.446SS..Hα-helixtrans-60.1-42.8178.400000113.3F126 Q127 L133 N134F126-G130 PolarHBondContact O-N 3.43Å; Q127-G130 PolarHBondContact O-N 3.34Å; Q127-G130 VanDerWaalsContact O-N 3.17Å; G130-L133 PolarHBondContact O-N 3.43Å; G130-N134 WeakPolarHBondContact O-CB 3.35Å; G130-N134 PolarHBondContact O-N 2.91Å; G130-N134 PolarHBondContact O-ND2 2.92Å
131E94.7Very high94.2Very high107 Ų10785.1 Ų85.150%0.543%0.434SS..Hα-helixtrans-62.8-43.5175.2-72.8171.6-167.900111.8Q127 C128 I129 N134 A135Q127-E131 PolarHBondContact NE2-OE1 3.06Å; Q127-E131 WeakPolarHBondContact O-CG 3.49Å; Q127-E131 PolarHBondContact O-N 2.95Å; C128-E131 PolarHBondContact O-N 3.39Å; I129-E131 PolarHBondContact O-N 2.95Å; E131-N134 PolarHBondContact O-N 3.31Å; E131-A135 PolarHBondContact O-N 3.24Å
132R94.8Very high93.7Very high197 Ų19784.8 Ų84.874%0.74342%0.424SS*.Hα-helixtrans-67.4-40.6177.8-66.2-71.1153.8163.6-2.7112.2C128 I129 A135 F136C128-R132 VanDerWaalsContact O-CG 3.27Å; C128-R132 WeakPolarHBondContact O-CG 3.36Å; C128-R132 PolarHBondContact O-N 3.3Å; C128-R132 VanDerWaalsContact O-N 3.13Å; I129-R132 PolarHBondContact O-N 3.43Å; R132-A135 PolarHBondContact O-N 3.47Å; R132-F136 WeakPolarHBondContact O-CB 3.42Å; R132-F136 PolarHBondContact O-N 3.17Å
133L93.7Very high93.2Very high95 Ų9585.9 Ų85.950%0.49744%0.435SS..Hα-helixtrans-62.3-43.6173.8-76.2173.1000111.4I129 G130 A135 F136 I137I129-L133 HydrophobicContact CG2-CD1 3.77Å; I129-L133 HydrophobicContact CG2-CG 4.18Å; I129-L133 WeakPolarHBondContact O-CB 3.39Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.43Å; G130-L133 PolarHBondContact O-N 3.43Å; L133-A135 PolarHBondContact O-N 2.95Å; L133-F136 WeakPolarHBondContact O-CB 3.3Å; L133-F136 PolarHBondContact O-N 2.87Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.23Å; L133-I137 PolarHBondContact O-N 2.9Å
134N91.9Very high92.8Very high73 Ų7384.1 Ų84.139%0.3943%0.429SS..Hα-helixtrans-63.3-40.6176.8-78.9-24000112.4G130 E131 I137 A138 M160G130-N134 WeakPolarHBondContact O-CB 3.35Å; G130-N134 PolarHBondContact O-N 2.91Å; G130-N134 PolarHBondContact O-ND2 2.92Å; E131-N134 PolarHBondContact O-N 3.31Å; N134-I137 PolarHBondContact O-N 2.77Å; N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 2.89Å; N134-M160 HydrophobicContact CB-CE 4.18Å
135A91.5Very high92.2Very high58 Ų5882.1 Ų82.148%0.47941%0.413SS..Hα-helixtrans-64.1-41.7173.900000111.7E131 R132 L133 A138 Y139E131-A135 PolarHBondContact O-N 3.24Å; R132-A135 PolarHBondContact O-N 3.47Å; L133-A135 PolarHBondContact O-N 2.95Å; A135-A138 PolarHBondContact O-N 2.88Å; A135-Y139 PolarHBondContact O-N 2.94Å
136F92.5Very high91.6Very high127 Ų12780.8 Ų80.856%0.55741%0.41SS*.Hα-helixtrans-62.4-45.2175.2-179.4-104000111.9R132 L133 A138 Y139 V140R132-F136 WeakPolarHBondContact O-CB 3.42Å; R132-F136 PolarHBondContact O-N 3.17Å; L133-F136 WeakPolarHBondContact O-CB 3.3Å; L133-F136 PolarHBondContact O-N 2.87Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.42Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.36Å; F136-V140 HydrophobicContact CD1-CG2 4.16Å; F136-V140 HydrophobicContact CD2-CG2 4.42Å; F136-V140 HydrophobicContact CE1-CG2 3.72Å; F136-V140 HydrophobicContact CE2-CG2 4Å; F136-V140 HydrophobicContact CG-CG2 4.49Å; F136-V140 HydrophobicContact CZ-CG2 3.63Å; F136-V140 WeakPolarHBondContact O-CG2 3.4Å; F136-V140 PolarHBondContact O-N 3.3Å
137I91.6Very high91.2Very high20 Ų2080.2 Ų80.210%0.10342%0.42CS..Hα-helixtrans-59.3-44.1175.2-70.5165.6000110.7L133 N134 Y139 V140 L141 V163 M167L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.23Å; L133-I137 PolarHBondContact O-N 2.9Å; N134-I137 PolarHBondContact O-N 2.77Å; I137-Y139 VanDerWaalsContact C-N 3.34Å; I137-Y139 PolarHBondContact O-N 2.92Å; I137-V140 PolarHBondContact O-N 2.97Å; I137-L141 HydrophobicContact CG2-CD1 3.75Å; I137-L141 HydrophobicContact CG2-CG 4.33Å; I137-L141 WeakPolarHBondContact O-CB 3.46Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 3.26Å; I137-V163 HydrophobicContact CG2-CB 4.25Å; I137-V163 HydrophobicContact CG2-CG1 3.65Å; I137-M167 HydrophobicContact CD1-SD 3.85Å; I137-M167 HydrophobicContact CG1-SD 4.09Å
138A89.8Confident90.7Very high26 Ų2679.9 Ų79.922%0.21542%0.421CS..Hα-helixtrans-62-42.1177.300000112N134 A135 F136 L141 Y142 M160N134-A138 WeakPolarHBondContact O-CB 3.36Å; N134-A138 PolarHBondContact O-N 2.89Å; A135-A138 PolarHBondContact O-N 2.88Å; F136-A138 VanDerWaalsContact C-N 3.32Å; F136-A138 PolarHBondContact O-N 3.42Å; A138-L141 PolarHBondContact O-N 3.47Å; A138-Y142 WeakPolarHBondContact O-CB 3.3Å; A138-Y142 PolarHBondContact O-N 2.86Å; A138-M160 HydrophobicContact CB-CE 4.23Å
139Y90.8Very high90Very high160 Ų16086 Ų8663%0.62744%0.441SS*.Hα-helixtrans-62.3-48.9175.3175.8-97.5000112A135 F136 I137 L141 Y142 A143A135-Y139 PolarHBondContact O-N 2.94Å; F136-Y139 WeakPolarHBondContact O-CB 3.39Å; F136-Y139 PolarHBondContact O-N 3.36Å; I137-Y139 VanDerWaalsContact C-N 3.34Å; I137-Y139 PolarHBondContact O-N 2.92Å; Y139-L141 VanDerWaalsContact C-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.89Å; Y139-Y142 WeakPolarHBondContact O-CB 3.33Å; Y139-Y142 PolarHBondContact O-N 3.25Å; Y139-A143 PolarHBondContact O-N 2.88Å
140V90.1Very high88.9Confident58 Ų5886.4 Ų86.435%0.35244%0.443SS..Hα-helixtrans-61.1-44.5177.7172.60000110.7F136 I137 Y142 A143 V144F136-V140 HydrophobicContact CD1-CG2 4.16Å; F136-V140 HydrophobicContact CD2-CG2 4.42Å; F136-V140 HydrophobicContact CE1-CG2 3.72Å; F136-V140 HydrophobicContact CE2-CG2 4Å; F136-V140 HydrophobicContact CG-CG2 4.49Å; F136-V140 HydrophobicContact CZ-CG2 3.63Å; F136-V140 WeakPolarHBondContact O-CG2 3.4Å; F136-V140 PolarHBondContact O-N 3.3Å; I137-V140 PolarHBondContact O-N 2.97Å; V140-Y142 VanDerWaalsContact C-N 3.29Å; V140-Y142 PolarHBondContact O-N 3.09Å; V140-A143 PolarHBondContact O-N 3.19Å; V140-V144 HydrophobicContact CG1-CG2 4.22Å; V140-V144 WeakPolarHBondContact O-CB 3.05Å; V140-V144 VanDerWaalsContact O-CG2 3.29Å; V140-V144 WeakPolarHBondContact O-CG2 3.47Å; V140-V144 PolarHBondContact O-N 3.09Å
141L88.6Confident87.4Confident33 Ų3396.6 Ų96.617%0.17347%0.474CS..Hα-helixtrans-60.9-39.3176.5-78.2168000112.3I137 A138 Y139 K145 V155 V163I137-L141 HydrophobicContact CG2-CD1 3.75Å; I137-L141 HydrophobicContact CG2-CG 4.33Å; I137-L141 WeakPolarHBondContact O-CB 3.46Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.33Å; I137-L141 PolarHBondContact O-N 3.26Å; A138-L141 PolarHBondContact O-N 3.47Å; Y139-L141 VanDerWaalsContact C-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.89Å; L141-K145 WeakPolarHBondContact O-CB 3.32Å; L141-K145 VanDerWaalsContact O-CG 3.31Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 2.89Å; L141-V155 HydrophobicContact CD1-CG1 4.45Å; L141-V163 HydrophobicContact CD1-CB 4.32Å; L141-V163 HydrophobicContact CD1-CG2 3.97Å; L141-V163 HydrophobicContact CD2-CG2 3.9Å; L141-V163 HydrophobicContact CG-CG2 4.44Å
142Y86.6Confident85.9Confident120 Ų120101.9 Ų101.947%0.47149%0.489SS..Hα-helixtrans-64.6-45.7175.2177.4-95.7000111.7A138 Y139 V140 K145 T146A138-Y142 WeakPolarHBondContact O-CB 3.3Å; A138-Y142 PolarHBondContact O-N 2.86Å; Y139-Y142 WeakPolarHBondContact O-CB 3.33Å; Y139-Y142 PolarHBondContact O-N 3.25Å; V140-Y142 VanDerWaalsContact C-N 3.29Å; V140-Y142 PolarHBondContact O-N 3.09Å; Y142-K145 PolarHBondContact O-N 3.43Å; Y142-T146 WeakPolarHBondContact O-CB 3.46Å; Y142-T146 PolarHBondContact O-N 3.38Å; Y142-T146 PolarHBondContact O-OG1 3.32Å
143A88.5Confident84.3Confident37 Ų3799.1 Ų99.131%0.30648%0.482SS..Hα-helixtrans-62.2-44.3177.600000112.1Y139 V140 T146 S147Y139-A143 PolarHBondContact O-N 2.88Å; V140-A143 PolarHBondContact O-N 3.19Å; A143-T146 PolarHBondContact O-N 3.33Å; A143-S147 WeakPolarHBondContact O-CB 3.37Å; A143-S147 PolarHBondContact O-N 2.97Å; A143-S147 PolarHBondContact O-OG 2.87Å
144V88.2Confident83.2Confident72 Ų72101.6 Ų101.644%0.43649%0.491SS..Hα-helixtrans-63.1-47176.91710000111V140 T146 S147 L148V140-V144 HydrophobicContact CG1-CG2 4.22Å; V140-V144 WeakPolarHBondContact O-CB 3.05Å; V140-V144 VanDerWaalsContact O-CG2 3.29Å; V140-V144 WeakPolarHBondContact O-CG2 3.47Å; V140-V144 PolarHBondContact O-N 3.09Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 3.35Å; V144-S147 PolarHBondContact O-N 3.11Å; V144-L148 HydrophobicContact CG1-CD1 3.87Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.37Å
145K85.5Confident82.4Confident45 Ų4599.6 Ų99.620%0.19648%0.482CS..Hα-helixtrans-63.2-38.9178.8-78.1-176.2176.8-171.50112.8L141 Y142 L148 K149 L150 N159L141-K145 WeakPolarHBondContact O-CB 3.32Å; L141-K145 VanDerWaalsContact O-CG 3.31Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 2.89Å; Y142-K145 PolarHBondContact O-N 3.43Å; K145-L148 PolarHBondContact O-N 3.29Å; K145-K149 PolarHBondContact O-N 3Å; K145-L150 HydrophobicContact CG-CD1 4.26Å; K145-L150 PolarHBondContact O-N 3.33Å; K145-N159 PolarHBondContact NZ-ND2 3.3Å; K145-N159 VanDerWaalsContact NZ-ND2 3.2Å
146T85.4Confident82.1Confident63 Ų63100.2 Ų100.239%0.38748%0.479SS..Hα-helixtrans-64.7-43.7175.9-58.90000110.8Y142 A143 V144 L148 K149Y142-T146 WeakPolarHBondContact O-CB 3.46Å; Y142-T146 PolarHBondContact O-N 3.38Å; Y142-T146 PolarHBondContact O-OG1 3.32Å; A143-T146 PolarHBondContact O-N 3.33Å; V144-T146 VanDerWaalsContact C-N 3.33Å; V144-T146 PolarHBondContact O-N 3.35Å; T146-L148 VanDerWaalsContact C-N 3.3Å; T146-L148 PolarHBondContact O-N 2.75Å; T146-K149 PolarHBondContact O-N 3.06Å; T146-K149 VanDerWaalsContact O-N 3.12Å
147S87.2Confident81.9Confident99 Ų99101.4 Ų101.469%0.69249%0.486SS*.Hα-helixtrans-62.7-36.2177.2-56.60000112.4A143 V144 K149A143-S147 WeakPolarHBondContact O-CB 3.37Å; A143-S147 PolarHBondContact O-N 2.97Å; A143-S147 PolarHBondContact O-OG 2.87Å; V144-S147 PolarHBondContact O-N 3.11Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 3.35Å
148L86.6Confident81.6Confident115 Ų115104.3 Ų104.360%0.60251%0.508SS*.THydrogen-bonded Turntrans-81.85.5177.3-67.3172.6000114.2V144 K145 T146 L150V144-L148 HydrophobicContact CG1-CD1 3.87Å; V144-L148 WeakPolarHBondContact O-CG 3.34Å; V144-L148 PolarHBondContact O-N 3.37Å; K145-L148 PolarHBondContact O-N 3.29Å; T146-L148 VanDerWaalsContact C-N 3.3Å; T146-L148 PolarHBondContact O-N 2.75Å; L148-L150 HydrophobicContact CB-CD1 3.94Å; L148-L150 HydrophobicContact CB-CG 3.95Å; L148-L150 HydrophobicContact CD1-CD1 4.18Å; L148-L150 PolarHBondContact O-N 2.99Å; L148-L150 VanDerWaalsContact O-N 3.1Å
149K81.6Confident81.5Confident194 Ų194105.7 Ų105.784%0.84351%0.512SS*.THydrogen-bonded Turntrans51.131.8-177.9-61-176.3-179.61790113.9K145 T146 S147 R151K145-K149 PolarHBondContact O-N 3Å; T146-K149 PolarHBondContact O-N 3.06Å; T146-K149 VanDerWaalsContact O-N 3.12Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 3.35Å; K149-R151 PolarHBondContact O-N 3.5Å
150L74.2Confident81.3Confident90 Ų90100.2 Ų100.247%0.47149%0.493SS..  trans-74.9119-178.3-72167.1000110.4K145 L148 R152K145-L150 HydrophobicContact CG-CD1 4.26Å; K145-L150 PolarHBondContact O-N 3.33Å; L148-L150 HydrophobicContact CB-CD1 3.94Å; L148-L150 HydrophobicContact CB-CG 3.95Å; L148-L150 HydrophobicContact CD1-CD1 4.18Å; L148-L150 PolarHBondContact O-N 2.99Å; L148-L150 VanDerWaalsContact O-N 3.1Å; L150-R152 PolarHBondContact O-N 2.65Å
151R62.3Low81.4Confident240 Ų240102.6 Ų102.691%0.90650%0.503SS*.SBendtrans-63.6-7.4-171.3-152.8175.5-177.6-178.70.8115.6K149K149-R151 PolarHBondContact O-N 3.5Å
152R61.7Low81.5Confident218 Ų218106 Ų10682%0.82352%0.52SS*.  trans-104.298.6177.5-77.6-169.2-170.61774.5111L150 H154L150-R152 PolarHBondContact O-N 2.65Å; R152-H154 VanDerWaalsContact C-N 3.33Å; R152-H154 PolarHBondContact O-N 3.49Å
153F62Low81.7Confident138 Ų138102 Ų10261%0.60551%0.509SS*.  trans-79.21.2-173.5-73.6-83.4000116.1
154H70.7Confident81.8Confident147 Ų147102.4 Ų102.468%0.68151%0.509SS*.  trans-97.1124.4-179.8-149.8-67000112.2R152 T156R152-H154 VanDerWaalsContact C-N 3.33Å; R152-H154 PolarHBondContact O-N 3.49Å; H154-T156 PolarHBondContact O-N 3.16Å
155V75.6Confident82Confident31 Ų31102.5 Ų102.519%0.18851%0.51CS..  trans-76.8102.4165.2-179.80000107.3L141 M160L141-V155 HydrophobicContact CD1-CG1 4.45Å; V155-M160 HydrophobicContact CG1-CG 3.75Å; V155-M160 HydrophobicContact CG1-SD 4.28Å
156T84.6Confident82.4Confident71 Ų71103.3 Ų103.344%0.43652%0.519SS..  trans-74.3149.3174.9-410000111.1H154 S158 N159 M160H154-T156 PolarHBondContact O-N 3.16Å; T156-S158 PolarHBondContact O-N 2.64Å; T156-N159 WeakPolarHBondContact O-CB 3.49Å; T156-N159 PolarHBondContact O-N 2.86Å; T156-M160 PolarHBondContact O-N 3.46Å
157H87.6Confident82.7Confident152 Ų152104.6 Ų104.670%0.70452%0.521SS*.Hα-helixtrans-51.6-38173-76.9-78.8000113.2N159 M160 I161H157-N159 VanDerWaalsContact C-N 3.3Å; H157-N159 PolarHBondContact O-N 3.49Å; H157-M160 PolarHBondContact O-N 3.37Å; H157-M160 VanDerWaalsContact O-N 3.14Å; H157-I161 WeakPolarHBondContact O-CG1 3.27Å; H157-I161 PolarHBondContact O-N 2.91Å
158S86.9Confident83Confident81 Ų81101.2 Ų101.257%0.56650%0.502SS*.Hα-helixtrans-60.1-36.9176.4-49.20000113T156 I161 L162T156-S158 PolarHBondContact O-N 2.64Å; S158-I161 PolarHBondContact O-N 2.95Å; S158-L162 WeakPolarHBondContact O-CB 3.46Å; S158-L162 PolarHBondContact O-N 3.34Å
159N86.3Confident83.5Confident55 Ų55101.1 Ų101.129%0.29450%0.5SS..Hα-helixtrans-67.9-39176.9-64-28.4000110.8K145 T156 H157 L162 V163K145-N159 PolarHBondContact NZ-ND2 3.3Å; K145-N159 VanDerWaalsContact NZ-ND2 3.2Å; T156-N159 WeakPolarHBondContact O-CB 3.49Å; T156-N159 PolarHBondContact O-N 2.86Å; H157-N159 VanDerWaalsContact C-N 3.3Å; H157-N159 PolarHBondContact O-N 3.49Å; N159-L162 PolarHBondContact O-N 2.9Å; N159-V163 WeakPolarHBondContact O-CB 3.33Å; N159-V163 VanDerWaalsContact O-CG2 3.23Å; N159-V163 WeakPolarHBondContact O-CG2 3.05Å; N159-V163 PolarHBondContact O-N 2.88Å
160M87.7Confident84.2Confident45 Ų4596.7 Ų96.722%0.22249%0.485CS..Hα-helixtrans-66.3-43177.1-65-177.167.600111.7N134 A138 V155 T156 H157 V163 S164N134-M160 HydrophobicContact CB-CE 4.18Å; A138-M160 HydrophobicContact CB-CE 4.23Å; V155-M160 HydrophobicContact CG1-CG 3.75Å; V155-M160 HydrophobicContact CG1-SD 4.28Å; T156-M160 PolarHBondContact O-N 3.46Å; H157-M160 PolarHBondContact O-N 3.37Å; H157-M160 VanDerWaalsContact O-N 3.14Å; M160-V163 PolarHBondContact O-N 3.42Å; M160-S164 WeakPolarHBondContact O-CB 3.38Å; M160-S164 PolarHBondContact O-N 2.88Å; M160-S164 PolarHBondContact O-OG 2.92Å
161I91.1Very high85.2Confident108 Ų10898 Ų9855%0.55449%0.491SS*.Hα-helixtrans-62.2-46.4176.2-65.8169.2000110H157 S158 V163 S164 T165H157-I161 WeakPolarHBondContact O-CG1 3.27Å; H157-I161 PolarHBondContact O-N 2.91Å; S158-I161 PolarHBondContact O-N 2.95Å; I161-V163 PolarHBondContact O-N 2.93Å; I161-S164 WeakPolarHBondContact CA-OG 3.44Å; I161-S164 PolarHBondContact O-N 3.37Å; I161-S164 PolarHBondContact O-OG 3.5Å; I161-T165 HydrophobicContact CG2-CG2 4.28Å; I161-T165 WeakPolarHBondContact O-CB 3.35Å; I161-T165 VanDerWaalsContact O-CG2 3.3Å; I161-T165 WeakPolarHBondContact O-CG2 3.39Å; I161-T165 PolarHBondContact O-N 3.43Å; I161-T165 PolarHBondContact O-OG1 3.2Å
162L91.4Very high86.8Confident104 Ų10492.2 Ų92.255%0.54548%0.477SS..Hα-helixtrans-61.4-42.4179-177.863.8000112.4S158 N159 T165 T166S158-L162 WeakPolarHBondContact O-CB 3.46Å; S158-L162 PolarHBondContact O-N 3.34Å; N159-L162 PolarHBondContact O-N 2.9Å; L162-T165 WeakPolarHBondContact CA-OG1 3.25Å; L162-T165 PolarHBondContact O-OG1 3.25Å; L162-T166 HydrophobicContact CD1-CG2 4.3Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 VanDerWaalsContact O-CG2 3.29Å; L162-T166 WeakPolarHBondContact O-CG2 3.37Å; L162-T166 PolarHBondContact O-N 3.39Å; L162-T166 PolarHBondContact O-OG1 3.33Å
163V91.3Very high88.4Confident37 Ų3787.3 Ų87.322%0.22446%0.464CS..Hα-helixtrans-70.3-43-179.6173.50000111.2I137 L141 N159 M160 I161 T165 T166 M167I137-V163 HydrophobicContact CG2-CB 4.25Å; I137-V163 HydrophobicContact CG2-CG1 3.65Å; L141-V163 HydrophobicContact CD1-CB 4.32Å; L141-V163 HydrophobicContact CD1-CG2 3.97Å; L141-V163 HydrophobicContact CD2-CG2 3.9Å; L141-V163 HydrophobicContact CG-CG2 4.44Å; N159-V163 WeakPolarHBondContact O-CB 3.33Å; N159-V163 VanDerWaalsContact O-CG2 3.23Å; N159-V163 WeakPolarHBondContact O-CG2 3.05Å; N159-V163 PolarHBondContact O-N 2.88Å; M160-V163 PolarHBondContact O-N 3.42Å; I161-V163 PolarHBondContact O-N 2.93Å; V163-T165 PolarHBondContact O-N 3.49Å; V163-T166 WeakPolarHBondContact CA-OG1 3.37Å; V163-T166 PolarHBondContact O-N 3.23Å; V163-T166 PolarHBondContact O-OG1 3.13Å; V163-M167 HydrophobicContact CG1-CG 4.35Å; V163-M167 HydrophobicContact CG1-SD 3.95Å; V163-M167 WeakPolarHBondContact O-CB 3.5Å; V163-M167 VanDerWaalsContact O-CG 3.24Å; V163-M167 WeakPolarHBondContact O-CG 3.46Å; V163-M167 PolarHBondContact O-N 3.12Å
164S90.5Very high90.1Very high46 Ų4685.4 Ų85.432%0.32246%0.46SS..Hα-helixtrans-64.1-40176.154.30000112.7M160 I161 G168M160-S164 WeakPolarHBondContact O-CB 3.38Å; M160-S164 PolarHBondContact O-N 2.88Å; M160-S164 PolarHBondContact O-OG 2.92Å; I161-S164 WeakPolarHBondContact CA-OG 3.44Å; I161-S164 PolarHBondContact O-N 3.37Å; I161-S164 PolarHBondContact O-OG 3.5Å; S164-G168 PolarHBondContact O-N 3.46Å
165T92.2Very high91.3Very high74 Ų7479.6 Ų79.645%0.45444%0.44SS..Hα-helixtrans-68.6-42.5176.654.40000112.2I161 L162 V163 G168 M169I161-T165 HydrophobicContact CG2-CG2 4.28Å; I161-T165 WeakPolarHBondContact O-CB 3.35Å; I161-T165 VanDerWaalsContact O-CG2 3.3Å; I161-T165 WeakPolarHBondContact O-CG2 3.39Å; I161-T165 PolarHBondContact O-N 3.43Å; I161-T165 PolarHBondContact O-OG1 3.2Å; L162-T165 WeakPolarHBondContact CA-OG1 3.25Å; L162-T165 PolarHBondContact O-OG1 3.25Å; V163-T165 PolarHBondContact O-N 3.49Å; T165-G168 PolarHBondContact O-N 3.45Å; T165-M169 WeakPolarHBondContact O-CG 3.38Å; T165-M169 PolarHBondContact O-N 2.82Å
166T93.6Very high92.2Very high62 Ų6281 Ų8138%0.3845%0.454SS..Hα-helixtrans-64.3-42.8176.147.90000112.3L162 V163 G168 M169 I170L162-T166 HydrophobicContact CD1-CG2 4.3Å; L162-T166 WeakPolarHBondContact O-CB 3.47Å; L162-T166 VanDerWaalsContact O-CG2 3.29Å; L162-T166 WeakPolarHBondContact O-CG2 3.37Å; L162-T166 PolarHBondContact O-N 3.39Å; L162-T166 PolarHBondContact O-OG1 3.33Å; V163-T166 WeakPolarHBondContact CA-OG1 3.37Å; V163-T166 PolarHBondContact O-N 3.23Å; V163-T166 PolarHBondContact O-OG1 3.13Å; T166-G168 VanDerWaalsContact C-N 3.33Å; T166-G168 PolarHBondContact O-N 3.41Å; T166-M169 PolarHBondContact O-N 3.18Å; T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.42Å; T166-I170 PolarHBondContact O-N 3Å
167M92.2Very high92.8Very high89 Ų8983.7 Ų83.744%0.43846%0.458SS..Hα-helixtrans-59.9-43.1172.3-72.7179.57500111.6I137 V163 M169 I170 I171I137-M167 HydrophobicContact CD1-SD 3.85Å; I137-M167 HydrophobicContact CG1-SD 4.09Å; V163-M167 HydrophobicContact CG1-CG 4.35Å; V163-M167 HydrophobicContact CG1-SD 3.95Å; V163-M167 WeakPolarHBondContact O-CB 3.5Å; V163-M167 VanDerWaalsContact O-CG 3.24Å; V163-M167 WeakPolarHBondContact O-CG 3.46Å; V163-M167 PolarHBondContact O-N 3.12Å; M167-M169 PolarHBondContact O-N 3.31Å; M167-I170 PolarHBondContact O-N 2.63Å; M167-I171 WeakPolarHBondContact O-CG1 3.43Å; M167-I171 PolarHBondContact O-N 3.04Å
168G93.8Very high93.3Very high28 Ų2880.1 Ų80.129%0.28944%0.443SS..Hα-helixtrans-58.8-45.4175.400000112.8S164 T165 T166 I170 I171 I172S164-G168 PolarHBondContact O-N 3.46Å; T165-G168 PolarHBondContact O-N 3.45Å; T166-G168 VanDerWaalsContact C-N 3.33Å; T166-G168 PolarHBondContact O-N 3.41Å; G168-I170 PolarHBondContact O-N 2.71Å; G168-I171 PolarHBondContact O-N 3.45Å; G168-I172 WeakPolarHBondContact O-CG1 3.3Å; G168-I172 PolarHBondContact O-N 2.89Å
169M95.6Very high93.7Very high114 Ų11483.8 Ų83.856%0.56245%0.449SS*.Hα-helixtrans-63.3-40.2176.6-69-64.5-74.400112.2T165 T166 M167 I172 M173T165-M169 WeakPolarHBondContact O-CG 3.38Å; T165-M169 PolarHBondContact O-N 2.82Å; T166-M169 PolarHBondContact O-N 3.18Å; M167-M169 PolarHBondContact O-N 3.31Å; M169-I172 PolarHBondContact O-N 3.42Å; M169-M173 WeakPolarHBondContact O-CB 3.47Å; M169-M173 WeakPolarHBondContact O-CG 3.35Å; M169-M173 PolarHBondContact O-N 2.91Å
170I96.1Very high94.1Very high101 Ų10188.8 Ų88.852%0.51847%0.47SS..Hα-helixtrans-62.7-43.8176.1-68.8164.6000110.7T166 M167 G168 M173 L174T166-I170 VanDerWaalsContact O-CG1 3.3Å; T166-I170 WeakPolarHBondContact O-CG1 3.42Å; T166-I170 PolarHBondContact O-N 3Å; M167-I170 PolarHBondContact O-N 2.63Å; G168-I170 PolarHBondContact O-N 2.71Å; I170-M173 PolarHBondContact O-N 3Å; I170-L174 VanDerWaalsContact O-CB 3.26Å; I170-L174 WeakPolarHBondContact O-CB 3.34Å; I170-L174 PolarHBondContact O-N 3.26Å
171I95.8Very high94.4Very high118 Ų11892.2 Ų92.261%0.60548%0.484SS*.Hα-helixtrans-62.1-45.3178.5-68.9165.6000110.7M167 G168 G175M167-I171 WeakPolarHBondContact O-CG1 3.43Å; M167-I171 PolarHBondContact O-N 3.04Å; G168-I171 PolarHBondContact O-N 3.45Å; I171-G175 PolarHBondContact O-N 3.31Å
172I95.7Very high94.3Very high118 Ų11895.4 Ų95.461%0.60549%0.491SS*.Hα-helixtrans-62.3-46.9177.6-66.8168.7000110.6G168 M169 G175 A176G168-I172 WeakPolarHBondContact O-CG1 3.3Å; G168-I172 PolarHBondContact O-N 2.89Å; M169-I172 PolarHBondContact O-N 3.42Å; I172-G175 PolarHBondContact O-N 3.19Å; I172-A176 WeakPolarHBondContact O-CB 3.34Å; I172-A176 PolarHBondContact O-N 3.48Å
173M96.3Very high93.5Very high114 Ų11496.9 Ų96.956%0.56252%0.518SS*.Hα-helixtrans-65.1-42.7179.7-74.7-167.4-68.400112.6M169 I170 G175 A176 Y177M169-M173 WeakPolarHBondContact O-CB 3.47Å; M169-M173 WeakPolarHBondContact O-CG 3.35Å; M169-M173 PolarHBondContact O-N 2.91Å; I170-M173 PolarHBondContact O-N 3Å; M173-G175 VanDerWaalsContact C-N 3.35Å; M173-A176 PolarHBondContact O-N 3.24Å; M173-Y177 WeakPolarHBondContact O-CB 3.24Å; M173-Y177 PolarHBondContact O-N 3.5Å
174L96.7Very high93.7Very high99 Ų9999.9 Ų99.952%0.51853%0.532SS..Hα-helixtrans-63.8-43.4176.6-177.165.5000110.8I170 Y177 L178I170-L174 VanDerWaalsContact O-CB 3.26Å; I170-L174 WeakPolarHBondContact O-CB 3.34Å; I170-L174 PolarHBondContact O-N 3.26Å; L174-Y177 PolarHBondContact O-N 3.48Å; L174-L178 HydrophobicContact CD1-CD1 4.45Å; L174-L178 HydrophobicContact CD1-CG 4.47Å; L174-L178 HydrophobicContact CG-CD1 4.14Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.2Å; L174-L178 PolarHBondContact O-N 3.29Å
175G95.5Very high93.8Very high24 Ų24102.7 Ų102.725%0.24754%0.544CS..Hα-helixtrans-57.9-51173.800000111.5I171 I172 M173 Y177 L178 F179I171-G175 PolarHBondContact O-N 3.31Å; I172-G175 PolarHBondContact O-N 3.19Å; M173-G175 VanDerWaalsContact C-N 3.35Å; G175-Y177 VanDerWaalsContact C-N 3.32Å; G175-Y177 PolarHBondContact O-N 2.99Å; G175-L178 PolarHBondContact O-N 3.03Å; G175-F179 WeakPolarHBondContact O-CD2 3.39Å; G175-F179 PolarHBondContact O-N 2.88Å
176A96.1Very high93.9Very high60 Ų60104.3 Ų104.350%0.49655%0.548SS..Hα-helixtrans-57.9-42.9177.400000112.2I172 M173 H180I172-A176 WeakPolarHBondContact O-CB 3.34Å; I172-A176 PolarHBondContact O-N 3.48Å; M173-A176 PolarHBondContact O-N 3.24Å; A176-H180 VanDerWaalsContact O-CB 3.26Å; A176-H180 WeakPolarHBondContact O-CB 3.48Å; A176-H180 PolarHBondContact O-N 2.96Å
177Y97.3Very high93.9Very high129 Ų129106.8 Ų106.851%0.50656%0.558SS.*Hα-helixtrans-63-47.1176.8174.3-101.5000112.4M173 L174 G175 H180 K181M173-Y177 WeakPolarHBondContact O-CB 3.24Å; M173-Y177 PolarHBondContact O-N 3.5Å; L174-Y177 PolarHBondContact O-N 3.48Å; G175-Y177 VanDerWaalsContact C-N 3.32Å; G175-Y177 PolarHBondContact O-N 2.99Å; Y177-H180 PolarHBondContact O-N 3.15Å; Y177-K181 HydrophobicContact CE1-CD 4.31Å; Y177-K181 WeakPolarHBondContact O-CB 3.35Å; Y177-K181 PolarHBondContact O-N 2.89Å
178L97.2Very high94Very high76 Ų76107.9 Ų107.940%0.39857%0.566SS.*Hα-helixtrans-64-45.6179.5-70.9172.7000111.2L174 G175 H180 K181 Y182L174-L178 HydrophobicContact CD1-CD1 4.45Å; L174-L178 HydrophobicContact CD1-CG 4.47Å; L174-L178 HydrophobicContact CG-CD1 4.14Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 VanDerWaalsContact O-CG 3.31Å; L174-L178 WeakPolarHBondContact O-CG 3.2Å; L174-L178 PolarHBondContact O-N 3.29Å; G175-L178 PolarHBondContact O-N 3.03Å; L178-H180 VanDerWaalsContact C-N 3.35Å; L178-H180 PolarHBondContact O-N 3.38Å; L178-K181 PolarHBondContact O-N 3.08Å; L178-Y182 HydrophobicContact CD2-CD2 4.31Å; L178-Y182 HydrophobicContact CD2-CE2 3.87Å; L178-Y182 VanDerWaalsContact O-CD2 3.27Å; L178-Y182 WeakPolarHBondContact O-CD2 3.33Å; L178-Y182 PolarHBondContact O-N 2.97Å
179F94.5Very high94.1Very high158 Ų158113.3 Ų113.369%0.69358%0.584SS**Hα-helixtrans-64.4-39.3176.6-79.3-65.9000112.1G175 K181 A183G175-F179 WeakPolarHBondContact O-CD2 3.39Å; G175-F179 PolarHBondContact O-N 2.88Å; F179-K181 VanDerWaalsContact C-N 3.3Å; F179-K181 PolarHBondContact O-N 3.26Å; F179-A183 WeakPolarHBondContact O-CB 3.43Å; F179-A183 PolarHBondContact O-N 3.26Å
180H94.8Very high93.9Very high160 Ų160113.2 Ų113.274%0.74159%0.586SS**Hα-helixtrans-63.3-36.3175.6178.257.3000112.8A176 Y177 L178A176-H180 VanDerWaalsContact O-CB 3.26Å; A176-H180 WeakPolarHBondContact O-CB 3.48Å; A176-H180 PolarHBondContact O-N 2.96Å; Y177-H180 PolarHBondContact O-N 3.15Å; L178-H180 VanDerWaalsContact C-N 3.35Å; L178-H180 PolarHBondContact O-N 3.38Å
181K95.2Very high93.8Very high118 Ų118114.2 Ų114.251%0.51359%0.591SS.*Hα-helixtrans-78.4-32.5-177.4-174.3175.9-179.6-178.90113.6Y177 L178 F179Y177-K181 HydrophobicContact CE1-CD 4.31Å; Y177-K181 WeakPolarHBondContact O-CB 3.35Å; Y177-K181 PolarHBondContact O-N 2.89Å; L178-K181 PolarHBondContact O-N 3.08Å; F179-K181 VanDerWaalsContact C-N 3.3Å; F179-K181 PolarHBondContact O-N 3.26Å
182Y88.8Confident93.6Very high175 Ų175113.8 Ų113.869%0.68659%0.59SS**Hα-helixtrans-114.4-2-170.6-64.3-70.7000114.9L178L178-Y182 HydrophobicContact CD2-CD2 4.31Å; L178-Y182 HydrophobicContact CD2-CE2 3.87Å; L178-Y182 VanDerWaalsContact O-CD2 3.27Å; L178-Y182 WeakPolarHBondContact O-CD2 3.33Å; L178-Y182 PolarHBondContact O-N 2.97Å
183A75.2Confident93.4Very high135 Ų135113.5 Ų113.5100%1.11659%0.589SS**  trans-90.70170.100000111.2F179F179-A183 WeakPolarHBondContact O-CB 3.43Å; F179-A183 PolarHBondContact O-N 3.26Å

Retrieved 183 of 183 residues in 300.6 ms (Link to these results)