A0A3Q0KMD8_SCHMA Loading...

Putative 5-hydroxytryptamine receptor

AlphaFold DB , UniProt , Accession A0A3Q0KMD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 945 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M43.6Very low72Confident222 Ų222106.9 Ų106.9100%1.09454%0.542SS*.  0140.60-66153.3175.200108.4
2K50.9Low73.6Confident210 Ų210102.5 Ų102.591%0.91352%0.516SS*.  trans-91.5109.8159.2-76.8-175.2177.5179.80106.5S4K2-S4 PolarHBondContact O-N 3.06Å
3I60Low75Confident93 Ų93102.5 Ų102.548%0.47752%0.518SS..  trans-74.9106.3173.2-61.9174.7000106.6V5 I77I3-V5 VanDerWaalsContact C-N 3.28Å; I3-V5 HydrophobicContact CG2-CG2 3.98Å; I3-V5 PolarHBondContact O-N 3.42Å; I3-I77 HydrophobicContact CG2-CD1 4.33Å
4S59.4Low76.3Confident79 Ų79101.6 Ų101.655%0.55251%0.514SS*.  trans-76.182.7172.452.60000109.2K2 T6K2-S4 PolarHBondContact O-N 3.06Å; S4-T6 PolarHBondContact O-N 3.48Å
5V67.2Low77.2Confident42 Ų4297.9 Ų97.926%0.25550%0.496SS..  trans-59.3132.7174.2-177.90000109I3 Y7 F12I3-V5 VanDerWaalsContact C-N 3.28Å; I3-V5 HydrophobicContact CG2-CG2 3.98Å; I3-V5 PolarHBondContact O-N 3.42Å; V5-Y7 VanDerWaalsContact C-N 3.28Å; V5-Y7 PolarHBondContact O-N 3.18Å; V5-F12 HydrophobicContact CG1-CB 3.95Å; V5-F12 HydrophobicContact CG1-CD2 3.48Å; V5-F12 VanDerWaalsContact CG1-CD2 3.48Å; V5-F12 HydrophobicContact CG1-CE2 4.2Å; V5-F12 HydrophobicContact CG1-CG 3.85Å; V5-F12 HydrophobicContact CG2-CD2 4.39Å; V5-F12 HydrophobicContact CG2-CE2 4.46Å
6T74.2Confident78.2Confident88 Ų8894.1 Ų94.154%0.5448%0.481SS..SBendtrans-68.9-26.5-177.753.60000113.4S4 T75S4-T6 PolarHBondContact O-N 3.48Å; T6-T75 PolarHBondContact N-O 2.82Å
7Y80.5Confident79.2Confident53 Ų5395.2 Ų95.221%0.20849%0.487CS..SBendtrans-96.9149.3178.5-59.5-72.1000112V5 L15 A74 D870 K873V5-Y7 VanDerWaalsContact C-N 3.28Å; V5-Y7 PolarHBondContact O-N 3.18Å; Y7-L15 HydrophobicContact CD1-CD1 4.39Å; Y7-L15 HydrophobicContact CD2-CD1 4Å; Y7-L15 HydrophobicContact CE1-CD1 4.39Å; Y7-L15 HydrophobicContact CE2-CD1 3.99Å; Y7-L15 HydrophobicContact CG-CD1 4.21Å; Y7-A74 WeakPolarHBondContact CD2-O 3.27Å; Y7-D870 PolarHBondContact OH-OD1 3.4Å; Y7-K873 PolarHBondContact OH-NZ 3.43Å
8P87.1Confident80Confident69 Ų6994.3 Ų94.345%0.44848%0.482SS..  trans-61.9147.3169.828.4-35.3000110.6W10 A11 F12P8-W10 HydrophobicContact CG-CZ2 4.09Å; P8-W10 PolarHBondContact O-N 3.13Å; P8-A11 HydrophobicContact CG-CB 3.98Å; P8-A11 PolarHBondContact O-N 3.5Å; P8-F12 PolarHBondContact O-N 3.44Å
9N87.8Confident80.8Confident129 Ų12990.4 Ų90.469%0.6946%0.461SS*.Hα-helixtrans-48-38.3-170.3-63.3-8000114.7L13N9-L13 VanDerWaalsContact O-CG 3.28Å; N9-L13 WeakPolarHBondContact O-CG 3.27Å; N9-L13 PolarHBondContact O-N 3.49Å
10W91.8Very high81.5Confident178 Ų17891 Ų9167%0.67447%0.465SS*.Hα-helixtrans-66.6-40.8178.565.4-97000112.6P8 L13 I14P8-W10 HydrophobicContact CG-CZ2 4.09Å; P8-W10 PolarHBondContact O-N 3.13Å; W10-L13 PolarHBondContact O-N 3.01Å; W10-I14 HydrophobicContact CE3-CD1 4.01Å; W10-I14 HydrophobicContact CZ3-CD1 4.42Å; W10-I14 WeakPolarHBondContact O-CG1 3.4Å; W10-I14 PolarHBondContact O-N 2.92Å; W10-I14 VanDerWaalsContact O-N 3.08Å
11A89.8Confident82.2Confident13 Ų1392.7 Ų92.711%0.10747%0.469CS..Hα-helixtrans-72.3-39.8178.200000110.8P8 L13 I14 L15P8-A11 HydrophobicContact CG-CB 3.98Å; P8-A11 PolarHBondContact O-N 3.5Å; A11-L13 VanDerWaalsContact C-N 3.35Å; A11-L13 PolarHBondContact O-N 3.01Å; A11-I14 PolarHBondContact O-N 2.85Å; A11-L15 WeakPolarHBondContact O-CB 3.39Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.31Å; A11-L15 PolarHBondContact O-N 2.94Å
12F90.6Very high84.6Confident54 Ų5483.5 Ų83.524%0.23742%0.424CS..Hα-helixtrans-55.8-47.2171.9173.7-103000112.2V5 P8 S16 A74 T75V5-F12 HydrophobicContact CG1-CB 3.95Å; V5-F12 HydrophobicContact CG1-CD2 3.48Å; V5-F12 VanDerWaalsContact CG1-CD2 3.48Å; V5-F12 HydrophobicContact CG1-CE2 4.2Å; V5-F12 HydrophobicContact CG1-CG 3.85Å; V5-F12 HydrophobicContact CG2-CD2 4.39Å; V5-F12 HydrophobicContact CG2-CE2 4.46Å; P8-F12 PolarHBondContact O-N 3.44Å; F12-S16 VanDerWaalsContact O-CB 3.27Å; F12-S16 WeakPolarHBondContact O-CB 3.3Å; F12-S16 PolarHBondContact O-N 3.12Å; F12-S16 PolarHBondContact O-OG 3.37Å; F12-A74 HydrophobicContact CD2-CB 4.12Å; F12-A74 VanDerWaalsContact CD2-O 3.3Å; F12-A74 WeakPolarHBondContact CD2-O 3.3Å; F12-A74 HydrophobicContact CE2-CB 3.81Å; F12-T75 HydrophobicContact CE2-CG2 4.07Å
13L91.8Very high86.8Confident102 Ų10274.2 Ų74.253%0.53439%0.385SS..Hα-helixtrans-63.4-46177.6-73.4169.4000111.9N9 W10 A11 S16 I17N9-L13 VanDerWaalsContact O-CG 3.28Å; N9-L13 WeakPolarHBondContact O-CG 3.27Å; N9-L13 PolarHBondContact O-N 3.49Å; W10-L13 PolarHBondContact O-N 3.01Å; A11-L13 VanDerWaalsContact C-N 3.35Å; A11-L13 PolarHBondContact O-N 3.01Å; L13-S16 PolarHBondContact O-N 3.3Å; L13-I17 WeakPolarHBondContact O-CB 3.28Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.15Å
14I93Very high88.5Confident90 Ų9073.9 Ų73.946%0.46238%0.384SS..Hα-helixtrans-61.8-48178.5-70.5173.1000111.2W10 A11 S16 I17 I18W10-I14 HydrophobicContact CE3-CD1 4.01Å; W10-I14 HydrophobicContact CZ3-CD1 4.42Å; W10-I14 WeakPolarHBondContact O-CG1 3.4Å; W10-I14 PolarHBondContact O-N 2.92Å; W10-I14 VanDerWaalsContact O-N 3.08Å; A11-I14 PolarHBondContact O-N 2.85Å; I14-S16 PolarHBondContact O-N 3.19Å; I14-I17 PolarHBondContact O-N 3.1Å; I14-I18 HydrophobicContact CG2-CD1 3.73Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.16Å; I14-I18 PolarHBondContact O-N 3.12Å
15L91.2Very high90.2Very high47 Ų4773.9 Ų73.925%0.24638%0.377CS..Hα-helixtrans-61.4-44.3177.7-70.9172.1000111.5Y7 A11 I17 I18 F19Y7-L15 HydrophobicContact CD1-CD1 4.39Å; Y7-L15 HydrophobicContact CD2-CD1 4Å; Y7-L15 HydrophobicContact CE1-CD1 4.39Å; Y7-L15 HydrophobicContact CE2-CD1 3.99Å; Y7-L15 HydrophobicContact CG-CD1 4.21Å; A11-L15 WeakPolarHBondContact O-CB 3.39Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.31Å; A11-L15 PolarHBondContact O-N 2.94Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.46Å; L15-I18 PolarHBondContact O-N 3.38Å; L15-F19 HydrophobicContact CB-CD2 4.49Å; L15-F19 HydrophobicContact CB-CE2 4.1Å; L15-F19 HydrophobicContact CD2-CZ 4.33Å; L15-F19 VanDerWaalsContact O-CD2 3.29Å; L15-F19 WeakPolarHBondContact O-CD2 3.47Å; L15-F19 VanDerWaalsContact O-CG 3.3Å; L15-F19 WeakPolarHBondContact O-CG 3.4Å; L15-F19 PolarHBondContact O-N 3.42Å
16S92.7Very high91.6Very high37 Ų3771.9 Ų71.926%0.25937%0.365SS..Hα-helixtrans-60.4-42177.4-59.70000112.2F12 L13 I14 L20F12-S16 VanDerWaalsContact O-CB 3.27Å; F12-S16 WeakPolarHBondContact O-CB 3.3Å; F12-S16 PolarHBondContact O-N 3.12Å; F12-S16 PolarHBondContact O-OG 3.37Å; L13-S16 PolarHBondContact O-N 3.3Å; I14-S16 PolarHBondContact O-N 3.19Å; S16-L20 WeakPolarHBondContact O-CB 3.1Å; S16-L20 PolarHBondContact O-N 3.02Å
17I94.8Very high92.8Very high113 Ų11368.7 Ų68.758%0.57935%0.348SS*.Hα-helixtrans-64.9-43176-69.9164000110.9L13 I14 L15 F21L13-I17 WeakPolarHBondContact O-CB 3.28Å; L13-I17 WeakPolarHBondContact O-CD1 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 3.15Å; I14-I17 PolarHBondContact O-N 3.1Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.46Å; I17-F21 VanDerWaalsContact O-CB 3.28Å; I17-F21 WeakPolarHBondContact O-CB 3.49Å; I17-F21 PolarHBondContact O-N 2.85Å
18I94.4Very high93.5Very high79 Ų7970.9 Ų70.941%0.40536%0.362SS..Hα-helixtrans-63.8-48.9178.4-69.8166.2000111I14 L15 F21 I22I14-I18 HydrophobicContact CG2-CD1 3.73Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.16Å; I14-I18 PolarHBondContact O-N 3.12Å; L15-I18 PolarHBondContact O-N 3.38Å; I18-F21 PolarHBondContact O-N 2.89Å; I18-I22 HydrophobicContact CG2-CD1 3.85Å; I18-I22 WeakPolarHBondContact O-CG1 3.4Å; I18-I22 PolarHBondContact O-N 2.75Å
19F94.4Very high94Very high19 Ų1968.2 Ų68.28%0.08335%0.347CS..Hα-helixtrans-66.1-39179.8-61.6-35000112.2L15 I22 T23 A70 D73 A74 W877L15-F19 HydrophobicContact CB-CD2 4.49Å; L15-F19 HydrophobicContact CB-CE2 4.1Å; L15-F19 HydrophobicContact CD2-CZ 4.33Å; L15-F19 VanDerWaalsContact O-CD2 3.29Å; L15-F19 WeakPolarHBondContact O-CD2 3.47Å; L15-F19 VanDerWaalsContact O-CG 3.3Å; L15-F19 WeakPolarHBondContact O-CG 3.4Å; L15-F19 PolarHBondContact O-N 3.42Å; F19-I22 PolarHBondContact O-N 3.16Å; F19-T23 VanDerWaalsContact O-CB 3.31Å; F19-T23 WeakPolarHBondContact O-CB 3.44Å; F19-T23 PolarHBondContact O-N 3.11Å; F19-T23 PolarHBondContact O-OG1 3.41Å; F19-A70 HydrophobicContact CB-CB 3.64Å; F19-A70 HydrophobicContact CD2-CB 4.32Å; F19-A70 HydrophobicContact CG-CB 4.27Å; F19-D73 HydrophobicContact CE2-CB 3.9Å; F19-D73 HydrophobicContact CZ-CB 4.17Å; F19-A74 HydrophobicContact CD2-CB 4.32Å; F19-A74 HydrophobicContact CE2-CB 4.39Å; F19-W877 HydrophobicContact CB-CH2 3.75Å; F19-W877 HydrophobicContact CB-CZ2 4.09Å; F19-W877 HydrophobicContact CB-CZ3 4.31Å; F19-W877 AromaticContact CD1-CD2 3.7Å; F19-W877 HydrophobicContact CD1-CD2 3.7Å; F19-W877 AromaticContact CD1-CE2 3.5Å; F19-W877 AromaticContact CD1-CE3 3.82Å; F19-W877 HydrophobicContact CD1-CE3 3.82Å; F19-W877 AromaticContact CD1-CH2 3.64Å; F19-W877 HydrophobicContact CD1-CH2 3.64Å; F19-W877 AromaticContact CD1-CZ2 3.5Å; F19-W877 HydrophobicContact CD1-CZ2 3.5Å; F19-W877 VanDerWaalsContact CD1-CZ2 3.5Å; F19-W877 AromaticContact CD1-CZ3 3.79Å; F19-W877 HydrophobicContact CD1-CZ3 3.79Å; F19-W877 HydrophobicContact CD2-CZ2 4.3Å; F19-W877 AromaticContact CE1-CD1 3.95Å; F19-W877 AromaticContact CE1-CD2 3.64Å; F19-W877 HydrophobicContact CE1-CD2 3.64Å; F19-W877 AromaticContact CE1-CE2 3.46Å; F19-W877 VanDerWaalsContact CE1-CE2 3.46Å; F19-W877 HydrophobicContact CE1-CE3 4.19Å; F19-W877 AromaticContact CE1-CG 3.99Å; F19-W877 HydrophobicContact CE1-CG 3.99Å; F19-W877 HydrophobicContact CE1-CH2 4.45Å; F19-W877 AromaticContact CE1-CZ2 3.92Å; F19-W877 HydrophobicContact CE1-CZ2 3.92Å; F19-W877 AromaticContact CE1-NE1 3.64Å; F19-W877 AromaticContact CG-CH2 3.85Å; F19-W877 HydrophobicContact CG-CH2 3.85Å; F19-W877 AromaticContact CG-CZ2 3.73Å; F19-W877 HydrophobicContact CG-CZ2 3.73Å; F19-W877 HydrophobicContact CG-CZ3 4.37Å; F19-W877 HydrophobicContact CZ-CZ2 4.47Å; F19-W877 AromaticContact CZ-NE1 3.89Å
20L94.9Very high94.4Very high102 Ų10262.1 Ų62.153%0.53431%0.314SS..Hα-helixtrans-61.1-44.7172.9178.962000111.3S16 T23 L24S16-L20 WeakPolarHBondContact O-CB 3.1Å; S16-L20 PolarHBondContact O-N 3.02Å; L20-T23 PolarHBondContact O-N 3.07Å; L20-L24 HydrophobicContact CD1-CD1 3.92Å; L20-L24 HydrophobicContact CD1-CG 4.06Å; L20-L24 HydrophobicContact CG-CD1 3.93Å; L20-L24 HydrophobicContact CG-CG 4.44Å; L20-L24 WeakPolarHBondContact O-CB 3.32Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.39Å
21F95.5Very high94.6Very high127 Ų12755.5 Ų55.556%0.55730%0.298SS*.Hα-helixtrans-62.7-45.9178.2-179.8-107.7000112.4I17 I18 T23 L24 L25I17-F21 VanDerWaalsContact O-CB 3.28Å; I17-F21 WeakPolarHBondContact O-CB 3.49Å; I17-F21 PolarHBondContact O-N 2.85Å; I18-F21 PolarHBondContact O-N 2.89Å; F21-T23 VanDerWaalsContact C-N 3.35Å; F21-T23 PolarHBondContact O-N 3.43Å; F21-L24 PolarHBondContact O-N 3.2Å; F21-L25 HydrophobicContact CD1-CD1 3.98Å; F21-L25 HydrophobicContact CE1-CD1 3.46Å; F21-L25 VanDerWaalsContact CE1-CD1 3.46Å; F21-L25 HydrophobicContact CE1-CG 4.34Å; F21-L25 HydrophobicContact CE2-CD1 4.17Å; F21-L25 HydrophobicContact CE2-CG 4.27Å; F21-L25 HydrophobicContact CZ-CD1 3.58Å; F21-L25 HydrophobicContact CZ-CG 4.18Å; F21-L25 WeakPolarHBondContact O-CB 3.5Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 3.07Å
22I95.4Very high94.9Very high30 Ų3056.8 Ų56.815%0.15430%0.302CS..Hα-helixtrans-61.3-44.2175.4-66.5166.4000110.6I18 F19 L25 T26 W877 V881I18-I22 HydrophobicContact CG2-CD1 3.85Å; I18-I22 WeakPolarHBondContact O-CG1 3.4Å; I18-I22 PolarHBondContact O-N 2.75Å; F19-I22 PolarHBondContact O-N 3.16Å; I22-L25 PolarHBondContact O-N 3.4Å; I22-T26 WeakPolarHBondContact O-CB 3.43Å; I22-T26 PolarHBondContact O-N 2.85Å; I22-T26 PolarHBondContact O-OG1 2.86Å; I22-W877 HydrophobicContact CB-CZ3 4.17Å; I22-W877 HydrophobicContact CD1-CE3 4.13Å; I22-W877 HydrophobicContact CD1-CZ3 4.35Å; I22-W877 HydrophobicContact CG2-CE3 4.22Å; I22-W877 HydrophobicContact CG2-CZ3 3.89Å; I22-V881 HydrophobicContact CD1-CG2 4.28Å; I22-V881 HydrophobicContact CG2-CG2 4.08Å
23T95.8Very high95.2Very high14 Ų1454.2 Ų54.29%0.08629%0.291CS..Hα-helixtrans-61.4-50.1179.1-58.50000111.3F19 L20 F21 T26 A27 A62 L66 P67F19-T23 VanDerWaalsContact O-CB 3.31Å; F19-T23 WeakPolarHBondContact O-CB 3.44Å; F19-T23 PolarHBondContact O-N 3.11Å; F19-T23 PolarHBondContact O-OG1 3.41Å; L20-T23 PolarHBondContact O-N 3.07Å; F21-T23 VanDerWaalsContact C-N 3.35Å; F21-T23 PolarHBondContact O-N 3.43Å; T23-T26 PolarHBondContact O-N 2.71Å; T23-A27 WeakPolarHBondContact O-CB 3.34Å; T23-A27 PolarHBondContact O-N 3.14Å; T23-A62 WeakPolarHBondContact CG2-O 3.23Å; T23-L66 HydrophobicContact CG2-CB 3.94Å; T23-P67 HydrophobicContact CG2-CG 4.15Å
24L96.3Very high95.3Very high87 Ų8752.3 Ų52.346%0.45528%0.279SS..Hα-helixtrans-63.5-43.6178.8-71.3173.8000112.3L20 F21 T26 A27 I28L20-L24 HydrophobicContact CD1-CD1 3.92Å; L20-L24 HydrophobicContact CD1-CG 4.06Å; L20-L24 HydrophobicContact CG-CD1 3.93Å; L20-L24 HydrophobicContact CG-CG 4.44Å; L20-L24 WeakPolarHBondContact O-CB 3.32Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.39Å; F21-L24 PolarHBondContact O-N 3.2Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.28Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-I28 HydrophobicContact CB-CD1 4.41Å; L24-I28 VanDerWaalsContact O-CB 3.28Å; L24-I28 WeakPolarHBondContact O-CB 3.42Å; L24-I28 WeakPolarHBondContact O-CD1 3.05Å; L24-I28 VanDerWaalsContact O-CG1 3.22Å; L24-I28 WeakPolarHBondContact O-CG1 3.32Å; L24-I28 PolarHBondContact O-N 3.39Å
25L95.9Very high95.3Very high78 Ų7850 Ų5041%0.40827%0.273SS..Hα-helixtrans-60.2-41.1174.9-77.1-177000112.1F21 I22 G29 T884F21-L25 HydrophobicContact CD1-CD1 3.98Å; F21-L25 HydrophobicContact CE1-CD1 3.46Å; F21-L25 VanDerWaalsContact CE1-CD1 3.46Å; F21-L25 HydrophobicContact CE1-CG 4.34Å; F21-L25 HydrophobicContact CE2-CD1 4.17Å; F21-L25 HydrophobicContact CE2-CG 4.27Å; F21-L25 HydrophobicContact CZ-CD1 3.58Å; F21-L25 HydrophobicContact CZ-CG 4.18Å; F21-L25 WeakPolarHBondContact O-CB 3.5Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 3.07Å; I22-L25 PolarHBondContact O-N 3.4Å; L25-G29 WeakPolarHBondContact O-CA 3.39Å; L25-G29 PolarHBondContact O-N 3.19Å; L25-T884 HydrophobicContact CB-CG2 3.67Å; L25-T884 HydrophobicContact CD1-CG2 4.36Å
26T96.9Very high95.5Very high0 Ų047.7 Ų47.70%026%0.261CS..Hα-helixtrans-68.2-45.3-179.2-51.50000111.1I22 T23 L24 N30 A62 L66 T884I22-T26 WeakPolarHBondContact O-CB 3.43Å; I22-T26 PolarHBondContact O-N 2.85Å; I22-T26 PolarHBondContact O-OG1 2.86Å; T23-T26 PolarHBondContact O-N 2.71Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.28Å; T26-N30 WeakPolarHBondContact O-CB 3.34Å; T26-N30 PolarHBondContact O-N 3.35Å; T26-N30 VanDerWaalsContact O-N 3.15Å; T26-N30 PolarHBondContact O-ND2 3.41Å; T26-A62 HydrophobicContact CG2-CB 3.79Å; T26-L66 HydrophobicContact CG2-CD1 4.31Å; T26-T884 WeakPolarHBondContact OG1-CB 3.44Å; T26-T884 PolarHBondContact OG1-OG1 3.45Å
27A97.5Very high95.5Very high21 Ų2146.4 Ų46.417%0.17425%0.251CS..Hα-helixtrans-65-54177.200000111.8T23 L24 G29 N30 A31 L59 A62T23-A27 WeakPolarHBondContact O-CB 3.34Å; T23-A27 PolarHBondContact O-N 3.14Å; L24-A27 PolarHBondContact O-N 3.4Å; A27-G29 PolarHBondContact O-N 3.25Å; A27-N30 PolarHBondContact O-N 3.35Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.63Å; A27-L59 HydrophobicContact CB-CD1 4.37Å; A27-L59 WeakPolarHBondContact O-CD1 3.26Å; A27-A62 HydrophobicContact CB-CB 3.97Å
28I96.6Very high95.3Very high100 Ų10047.4 Ų47.451%0.51325%0.251SS..Hα-helixtrans-62.6-45.7-178.4-65.1166.8000110.6L24 N30 A31 L32L24-I28 HydrophobicContact CB-CD1 4.41Å; L24-I28 VanDerWaalsContact O-CB 3.28Å; L24-I28 WeakPolarHBondContact O-CB 3.42Å; L24-I28 WeakPolarHBondContact O-CD1 3.05Å; L24-I28 VanDerWaalsContact O-CG1 3.22Å; L24-I28 WeakPolarHBondContact O-CG1 3.32Å; L24-I28 PolarHBondContact O-N 3.39Å; I28-N30 PolarHBondContact O-N 2.82Å; I28-A31 PolarHBondContact O-N 2.82Å; I28-L32 HydrophobicContact CG2-CD1 3.96Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 WeakPolarHBondContact O-CB 3.42Å; I28-L32 VanDerWaalsContact O-CG 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.4Å; I28-L32 PolarHBondContact O-N 3.4Å
29G96.2Very high95.1Very high13 Ų1349.5 Ų49.513%0.13425%0.254CS..Hα-helixtrans-60-48.2-179.200000112.6L25 A27 L32 V33L25-G29 WeakPolarHBondContact O-CA 3.39Å; L25-G29 PolarHBondContact O-N 3.19Å; A27-G29 PolarHBondContact O-N 3.25Å; G29-L32 PolarHBondContact O-N 3.39Å; G29-V33 WeakPolarHBondContact O-CG2 3.46Å; G29-V33 PolarHBondContact O-N 3.2Å
30N96.9Very high95Very high0 Ų051.2 Ų51.20%026%0.262CS..Hα-helixtrans-75.9-33.2-178.9-72.7-65.3000112.7T26 A27 I28 L32 V33 F34 A55 D58 L59 S883 P887T26-N30 WeakPolarHBondContact O-CB 3.34Å; T26-N30 PolarHBondContact O-N 3.35Å; T26-N30 VanDerWaalsContact O-N 3.15Å; T26-N30 PolarHBondContact O-ND2 3.41Å; A27-N30 PolarHBondContact O-N 3.35Å; I28-N30 PolarHBondContact O-N 2.82Å; N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 PolarHBondContact O-N 3.04Å; N30-V33 PolarHBondContact O-N 2.77Å; N30-F34 PolarHBondContact O-N 2.9Å; N30-A55 HydrophobicContact CB-CB 4.3Å; N30-A55 WeakPolarHBondContact CB-O 3.45Å; N30-D58 HydrophobicContact CB-CB 4.42Å; N30-L59 HydrophobicContact CB-CB 4.11Å; N30-S883 PolarHBondContact ND2-O 3.39Å; N30-P887 HydrophobicContact CB-CG 4.43Å; N30-P887 WeakPolarHBondContact OD1-CG 3.48Å
31A96.7Very high94.7Very high39 Ų3956.8 Ų56.832%0.32228%0.276SS..Hα-helixtrans-58.8-41.1168.800000111.9A27 I28 F34 A35 L59A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.63Å; I28-A31 PolarHBondContact O-N 2.82Å; A31-F34 PolarHBondContact O-N 3.12Å; A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.85Å; A31-L59 HydrophobicContact CB-CD1 4.07Å; A31-L59 HydrophobicContact CB-CD2 4.28Å
32L95.8Very high94.3Very high40 Ų4056.1 Ų56.121%0.20927%0.273CS..Hα-helixtrans-65.2-38.2175-73.5169.5000112.8I28 G29 N30 A36 F901 F904I28-L32 HydrophobicContact CG2-CD1 3.96Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 WeakPolarHBondContact O-CB 3.42Å; I28-L32 VanDerWaalsContact O-CG 3.28Å; I28-L32 WeakPolarHBondContact O-CG 3.4Å; I28-L32 PolarHBondContact O-N 3.4Å; G29-L32 PolarHBondContact O-N 3.39Å; N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 PolarHBondContact O-N 3.04Å; L32-A36 VanDerWaalsContact O-CB 3.27Å; L32-A36 WeakPolarHBondContact O-CB 3.27Å; L32-A36 PolarHBondContact O-N 3.47Å; L32-F901 HydrophobicContact CB-CD1 4.25Å; L32-F901 HydrophobicContact CB-CE1 3.91Å; L32-F901 HydrophobicContact CB-CZ 4.37Å; L32-F904 HydrophobicContact CD2-CB 3.87Å; L32-F904 HydrophobicContact CD2-CD2 3.7Å; L32-F904 HydrophobicContact CD2-CE2 4.39Å; L32-F904 HydrophobicContact CD2-CG 3.92Å
33V95.7Very high94Very high0 Ų054.9 Ų54.90%027%0.266CS..Hα-helixtrans-61.3-48.5173.3177.90000110.6G29 N30 A36 I51 A55 P887 Y890 F897 F901G29-V33 WeakPolarHBondContact O-CG2 3.46Å; G29-V33 PolarHBondContact O-N 3.2Å; N30-V33 PolarHBondContact O-N 2.77Å; V33-A36 PolarHBondContact O-N 3.17Å; V33-I51 HydrophobicContact CG1-CG2 4.02Å; V33-A55 HydrophobicContact CB-CB 3.77Å; V33-A55 HydrophobicContact CG1-CB 3.59Å; V33-P887 HydrophobicContact CG2-CB 4.16Å; V33-P887 HydrophobicContact CG2-CG 4.22Å; V33-Y890 HydrophobicContact CG1-CD2 4.13Å; V33-Y890 HydrophobicContact CG1-CE2 4.33Å; V33-Y890 HydrophobicContact CG2-CD2 3.7Å; V33-Y890 HydrophobicContact CG2-CE2 4.29Å; V33-F897 HydrophobicContact CG1-CE1 4.07Å; V33-F897 HydrophobicContact CG1-CZ 4.15Å; V33-F901 HydrophobicContact CG2-CE1 4.34Å; V33-F901 HydrophobicContact CG2-CZ 3.72Å
34F94.6Very high93.8Very high63 Ų6361 Ų6128%0.27629%0.288SS..Hα-helixtrans-64.3-51.9-179.4-163.5-111.2000110.9N30 A31 A36 L37 F38 L56N30-F34 PolarHBondContact O-N 2.9Å; A31-F34 PolarHBondContact O-N 3.12Å; F34-A36 VanDerWaalsContact C-N 3.26Å; F34-A36 PolarHBondContact O-N 3.03Å; F34-L37 WeakPolarHBondContact O-CB 3.34Å; F34-L37 PolarHBondContact O-N 3.4Å; F34-F38 HydrophobicContact CD1-CD2 4.27Å; F34-F38 AromaticContact CD1-CE2 3.8Å; F34-F38 HydrophobicContact CD1-CE2 3.8Å; F34-F38 HydrophobicContact CD2-CE2 4.49Å; F34-F38 HydrophobicContact CE1-CD2 4.32Å; F34-F38 AromaticContact CE1-CE2 3.46Å; F34-F38 HydrophobicContact CE1-CE2 3.46Å; F34-F38 VanDerWaalsContact CE1-CE2 3.46Å; F34-F38 HydrophobicContact CE1-CZ 4.11Å; F34-F38 HydrophobicContact CE2-CE2 4.2Å; F34-F38 HydrophobicContact CG-CE2 4.31Å; F34-F38 AromaticContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CZ 4.13Å; F34-F38 WeakPolarHBondContact O-CD2 3.46Å; F34-L56 HydrophobicContact CD2-CB 4.22Å; F34-L56 HydrophobicContact CE2-CB 3.96Å; F34-L56 HydrophobicContact CE2-CD1 4.11Å; F34-L56 HydrophobicContact CE2-CD2 4.13Å; F34-L56 HydrophobicContact CE2-CG 4.3Å; F34-L56 HydrophobicContact CZ-CD1 4.06Å; F34-L56 HydrophobicContact CZ-CD2 4.32Å
35A93.8Very high93.5Very high40 Ų4059.2 Ų59.233%0.33128%0.281SS..Hα-helixtrans-58-33.8177.700000113.1A31 L37 F38 R39 F904A31-A35 WeakPolarHBondContact O-CB 3.44Å; A31-A35 PolarHBondContact O-N 2.85Å; A35-L37 VanDerWaalsContact C-N 3.26Å; A35-L37 PolarHBondContact O-N 3.38Å; A35-F38 PolarHBondContact O-N 3.48Å; A35-F38 VanDerWaalsContact O-N 3.17Å; A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 2.88Å; A35-F904 HydrophobicContact CB-CE2 4.5Å; A35-F904 HydrophobicContact CB-CZ 4.16Å
36A94.6Very high93.3Very high0 Ų056.2 Ų56.20%027%0.265CS..Hα-helixtrans-61-32.8175.900000113L32 V33 F34 F40 L43 F897 A900 F904L32-A36 VanDerWaalsContact O-CB 3.27Å; L32-A36 WeakPolarHBondContact O-CB 3.27Å; L32-A36 PolarHBondContact O-N 3.47Å; V33-A36 PolarHBondContact O-N 3.17Å; F34-A36 VanDerWaalsContact C-N 3.26Å; F34-A36 PolarHBondContact O-N 3.03Å; A36-F40 HydrophobicContact CB-CD2 4.49Å; A36-F40 WeakPolarHBondContact O-CB 3.49Å; A36-F40 WeakPolarHBondContact O-CD2 3.35Å; A36-F40 PolarHBondContact O-N 2.99Å; A36-L43 HydrophobicContact CB-CD1 3.72Å; A36-F897 HydrophobicContact CB-CD1 3.93Å; A36-F897 HydrophobicContact CB-CE1 4.01Å; A36-A900 HydrophobicContact CB-CB 3.79Å; A36-F904 HydrophobicContact CB-CE2 4.07Å
37L93.5Very high92.9Very high10 Ų1057.3 Ų57.35%0.05227%0.273CS..Hα-helixtrans-69.4-38.6175.4-56.7-179.2000111.8F34 A35 L43 R44 N48 G52 F897F34-L37 WeakPolarHBondContact O-CB 3.34Å; F34-L37 PolarHBondContact O-N 3.4Å; A35-L37 VanDerWaalsContact C-N 3.26Å; A35-L37 PolarHBondContact O-N 3.38Å; L37-L43 HydrophobicContact CD2-CB 4.17Å; L37-R44 WeakPolarHBondContact O-CG 3.41Å; L37-R44 PolarHBondContact O-NE 3.03Å; L37-N48 HydrophobicContact CD2-CB 3.96Å; L37-G52 VanDerWaalsContact CD1-CA 3.5Å; L37-F897 HydrophobicContact CD2-CE1 4.06Å; L37-F897 HydrophobicContact CD2-CZ 3.98Å
38F90.4Very high92.6Very high133 Ų13357.3 Ų57.358%0.58327%0.27SS*.Hα-helixtrans-72.1-44175-69.2-88.6000111.4F34 A35 R44F34-F38 HydrophobicContact CD1-CD2 4.27Å; F34-F38 AromaticContact CD1-CE2 3.8Å; F34-F38 HydrophobicContact CD1-CE2 3.8Å; F34-F38 HydrophobicContact CD2-CE2 4.49Å; F34-F38 HydrophobicContact CE1-CD2 4.32Å; F34-F38 AromaticContact CE1-CE2 3.46Å; F34-F38 HydrophobicContact CE1-CE2 3.46Å; F34-F38 VanDerWaalsContact CE1-CE2 3.46Å; F34-F38 HydrophobicContact CE1-CZ 4.11Å; F34-F38 HydrophobicContact CE2-CE2 4.2Å; F34-F38 HydrophobicContact CG-CE2 4.31Å; F34-F38 AromaticContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CE2 3.69Å; F34-F38 HydrophobicContact CZ-CZ 4.13Å; F34-F38 WeakPolarHBondContact O-CD2 3.46Å; A35-F38 PolarHBondContact O-N 3.48Å; A35-F38 VanDerWaalsContact O-N 3.17Å; F38-R44 PolarHBondContact O-NH2 2.92Å
39R90.8Very high92.5Very high124 Ų12454.3 Ų54.347%0.46826%0.255SS..Hα-helixtrans-69.8-36.4-176.5-17566.9-173.897-7114.1A35 Y903 F904A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 2.88Å; R39-Y903 PolarHBondContact NH2-OH 2.72Å; R39-F904 HydrophobicContact CB-CE1 4.16Å; R39-F904 HydrophobicContact CB-CZ 3.72Å; R39-F904 HydrophobicContact CG-CE1 3.95Å; R39-F904 HydrophobicContact CG-CZ 3.93Å
40F91.5Very high92.5Very high54 Ų5453.9 Ų53.924%0.23725%0.25CC..  trans-119107.7-169.9-62.3-81.4000113.5A36 K42 L43 A900 Y903 F904A36-F40 HydrophobicContact CB-CD2 4.49Å; A36-F40 WeakPolarHBondContact O-CB 3.49Å; A36-F40 WeakPolarHBondContact O-CD2 3.35Å; A36-F40 PolarHBondContact O-N 2.99Å; F40-K42 PolarHBondContact O-N 3.41Å; F40-K42 VanDerWaalsContact O-N 3.14Å; F40-L43 HydrophobicContact CB-CB 4.24Å; F40-L43 HydrophobicContact CB-CD1 4.17Å; F40-L43 HydrophobicContact CB-CG 4.33Å; F40-L43 HydrophobicContact CD2-CD1 4.36Å; F40-L43 PolarHBondContact O-N 2.77Å; F40-A900 HydrophobicContact CD2-CB 3.61Å; F40-A900 HydrophobicContact CE2-CB 3.41Å; F40-A900 VanDerWaalsContact CE2-CB 3.41Å; F40-A900 HydrophobicContact CZ-CB 4.19Å; F40-Y903 HydrophobicContact CE1-CG 4.44Å; F40-Y903 HydrophobicContact CE2-CD1 4.37Å; F40-Y903 AromaticContact CZ-CD1 3.68Å; F40-Y903 HydrophobicContact CZ-CD1 3.68Å; F40-Y903 HydrophobicContact CZ-CD2 4.33Å; F40-Y903 HydrophobicContact CZ-CE1 4.36Å; F40-Y903 AromaticContact CZ-CG 3.71Å; F40-Y903 HydrophobicContact CZ-CG 3.71Å; F40-F904 HydrophobicContact CE2-CE2 4.18Å; F40-F904 HydrophobicContact CE2-CZ 4.09Å
41R88.1Confident92.4Very high219 Ų21954.3 Ų54.383%0.82625%0.252SS*.G310 helixtrans-55.6-32.5175.8-171.7172178.6155.7-1.9113.2L43 R44R41-L43 VanDerWaalsContact C-N 3.25Å; R41-L43 PolarHBondContact O-N 3.22Å; R41-R44 PolarHBondContact O-N 3.38Å
42K87Confident92.3Very high114 Ų11452.6 Ų52.650%0.49624%0.238SC..G310 helixtrans-64.7-23.8175.3-63.7-168.9-178-172.70113.3F40 Q919F40-K42 PolarHBondContact O-N 3.41Å; F40-K42 VanDerWaalsContact O-N 3.14Å; K42-Q919 VanDerWaalsContact CE-OE1 3.27Å
43L89.7Confident92.3Very high4 Ų451.1 Ų51.12%0.02123%0.23CC..G310 helixtrans-87.1-13.5176.9-82.8174.8000114.3A36 L37 F40 R41 T45 N48 H896 F897 A900A36-L43 HydrophobicContact CB-CD1 3.72Å; L37-L43 HydrophobicContact CD2-CB 4.17Å; F40-L43 HydrophobicContact CB-CB 4.24Å; F40-L43 HydrophobicContact CB-CD1 4.17Å; F40-L43 HydrophobicContact CB-CG 4.33Å; F40-L43 HydrophobicContact CD2-CD1 4.36Å; F40-L43 PolarHBondContact O-N 2.77Å; R41-L43 VanDerWaalsContact C-N 3.25Å; R41-L43 PolarHBondContact O-N 3.22Å; L43-T45 PolarHBondContact O-N 2.75Å; L43-N48 WeakPolarHBondContact O-CB 3.49Å; L43-N48 PolarHBondContact O-ND2 2.91Å; L43-H896 HydrophobicContact CD2-CB 3.54Å; L43-H896 HydrophobicContact CG-CB 4.24Å; L43-F897 HydrophobicContact CD1-CD1 3.82Å; L43-F897 HydrophobicContact CD1-CE1 3.99Å; L43-F897 HydrophobicContact CD2-CD1 4.22Å; L43-F897 HydrophobicContact CD2-CE1 4.23Å; L43-F897 HydrophobicContact CD2-CG 4.36Å; L43-F897 HydrophobicContact CD2-CZ 4.39Å; L43-A900 HydrophobicContact CD1-CB 3.95Å
44R91Very high92.4Very high143 Ų14351.1 Ų51.154%0.5423%0.23SC..  trans-75.452-175.4-61.3-177.5-171.7173.63114L37 F38 R41L37-R44 WeakPolarHBondContact O-CG 3.41Å; L37-R44 PolarHBondContact O-NE 3.03Å; F38-R44 PolarHBondContact O-NH2 2.92Å; R41-R44 PolarHBondContact O-N 3.38Å
45T90.1Very high92.5Very high49 Ų4948.1 Ų48.130%0.30122%0.217SC..  trans-93155.9178.279.40000111.7L43 S47 N48 L49L43-T45 PolarHBondContact O-N 2.75Å; T45-S47 VanDerWaalsContact C-N 3.3Å; T45-S47 PolarHBondContact O-N 3.36Å; T45-N48 PolarHBondContact O-N 3.19Å; T45-N48 VanDerWaalsContact O-N 3.1Å; T45-N48 WeakPolarHBondContact OG1-CB 3.44Å; T45-N48 PolarHBondContact OG1-N 2.86Å; T45-N48 PolarHBondContact OG1-ND2 3.04Å; T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-L49 PolarHBondContact O-N 2.91Å
46T91Very high92.6Very high14 Ų1448.4 Ų48.49%0.08621%0.213CC..Hα-helixtrans-50.6-45179.247.10000113.6L49 K124 V129T46-L49 PolarHBondContact O-N 2.87Å; T46-K124 HydrophobicContact CG2-CG 3.89Å; T46-K124 WeakPolarHBondContact OG1-CE 3.21Å; T46-V129 HydrophobicContact CG2-CG2 3.97Å
47S89.2Confident92.8Very high24 Ų2448.4 Ų48.417%0.16821%0.213CC..Hα-helixtrans-76.5-29.9-178.6-50.60000112.5T45 L49 L50 I51 D109 R110 Y120T45-S47 VanDerWaalsContact C-N 3.3Å; T45-S47 PolarHBondContact O-N 3.36Å; S47-L49 VanDerWaalsContact C-N 3.33Å; S47-L50 PolarHBondContact O-N 3.15Å; S47-I51 PolarHBondContact O-N 2.97Å; S47-D109 PolarHBondContact OG-OD2 3.22Å; S47-R110 PolarHBondContact OG-NH2 3.28Å; S47-Y120 PolarHBondContact OG-OH 2.75Å
48N92.2Very high92.9Very high20 Ų2048 Ų4811%0.10721%0.211CC..Hα-helixtrans-73.5-25173.8-65.4-9.2000112.3L37 L43 T45 L50 I51 G52L37-N48 HydrophobicContact CD2-CB 3.96Å; L43-N48 WeakPolarHBondContact O-CB 3.49Å; L43-N48 PolarHBondContact O-ND2 2.91Å; T45-N48 PolarHBondContact O-N 3.19Å; T45-N48 VanDerWaalsContact O-N 3.1Å; T45-N48 WeakPolarHBondContact OG1-CB 3.44Å; T45-N48 PolarHBondContact OG1-N 2.86Å; T45-N48 PolarHBondContact OG1-ND2 3.04Å; N48-L50 VanDerWaalsContact C-N 3.31Å; N48-I51 PolarHBondContact O-N 2.87Å; N48-G52 PolarHBondContact O-N 3.33Å
49L94.8Very high93.3Very high37 Ų3742.9 Ų42.919%0.19419%0.189CC..Hα-helixtrans-66.4-32.5171.6-70.2173.1000112.1T45 T46 S47 G52 N53 R126 V129T45-L49 WeakPolarHBondContact O-CG 3.39Å; T45-L49 PolarHBondContact O-N 2.91Å; T46-L49 PolarHBondContact O-N 2.87Å; S47-L49 VanDerWaalsContact C-N 3.33Å; L49-G52 PolarHBondContact O-N 3.37Å; L49-N53 PolarHBondContact O-N 2.98Å; L49-R126 HydrophobicContact CD1-CG 4.02Å; L49-V129 HydrophobicContact CB-CG1 4.01Å
50L95.1Very high93.6Very high5 Ų539.3 Ų39.33%0.02618%0.179CC..Hα-helixtrans-68.6-40.5172.2-65.8175.8000111.9S47 N48 G52 N53 L54 T105 I106 D109 V129 I133S47-L50 PolarHBondContact O-N 3.15Å; N48-L50 VanDerWaalsContact C-N 3.31Å; L50-G52 VanDerWaalsContact C-N 3.26Å; L50-G52 PolarHBondContact O-N 3.08Å; L50-N53 PolarHBondContact O-N 3.03Å; L50-N53 VanDerWaalsContact O-N 3.15Å; L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.16Å; L50-T105 HydrophobicContact CD1-CG2 4.14Å; L50-T105 HydrophobicContact CD2-CG2 3.62Å; L50-I106 HydrophobicContact CB-CD1 4.42Å; L50-I106 HydrophobicContact CB-CG1 3.74Å; L50-I106 HydrophobicContact CD1-CG1 4.41Å; L50-D109 HydrophobicContact CD1-CB 3.67Å; L50-V129 HydrophobicContact CD2-CG1 3.75Å; L50-V129 HydrophobicContact CG-CG1 3.92Å; L50-I133 HydrophobicContact CD2-CG1 4.15Å
51I94.1Very high93.9Very high8 Ų836.8 Ų36.84%0.04117%0.168CC..Hα-helixtrans-60.8-38.7171-65.6170.4000110.5V33 S47 N48 N53 L54 A55 I106 M836 Y890 F897V33-I51 HydrophobicContact CG1-CG2 4.02Å; S47-I51 PolarHBondContact O-N 2.97Å; N48-I51 PolarHBondContact O-N 2.87Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.42Å; I51-L54 PolarHBondContact O-N 3.42Å; I51-A55 WeakPolarHBondContact O-CB 3.1Å; I51-A55 PolarHBondContact O-N 3.46Å; I51-I106 HydrophobicContact CG1-CD1 4.45Å; I51-M836 HydrophobicContact CD1-CE 4.48Å; I51-Y890 HydrophobicContact CG2-CD1 4.41Å; I51-Y890 HydrophobicContact CG2-CD2 3.98Å; I51-Y890 HydrophobicContact CG2-CE1 4.06Å; I51-Y890 HydrophobicContact CG2-CE2 3.57Å; I51-Y890 HydrophobicContact CG2-CG 4.4Å; I51-F897 HydrophobicContact CD1-CE2 4.33Å; I51-F897 HydrophobicContact CG2-CE2 4Å; I51-F897 HydrophobicContact CG2-CZ 4.1Å
52G95.4Very high94.3Very high3 Ų326.5 Ų26.53%0.03113%0.13CC..Hα-helixtrans-63.4-32.2173.400000114.5L37 N48 L49 L50 L56L37-G52 VanDerWaalsContact CD1-CA 3.5Å; N48-G52 PolarHBondContact O-N 3.33Å; L49-G52 PolarHBondContact O-N 3.37Å; L50-G52 VanDerWaalsContact C-N 3.26Å; L50-G52 PolarHBondContact O-N 3.08Å; G52-L56 WeakPolarHBondContact O-CB 3.43Å; G52-L56 PolarHBondContact O-N 2.9Å
53N96.8Very high94.8Very high9 Ų926 Ų265%0.04813%0.131CC..Hα-helixtrans-71.5-42.3175.2-166.176.5000112L49 L50 I51 L56 S57 S102 I133 W137L49-N53 PolarHBondContact O-N 2.98Å; L50-N53 PolarHBondContact O-N 3.03Å; L50-N53 VanDerWaalsContact O-N 3.15Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.42Å; N53-L56 WeakPolarHBondContact O-CB 3.49Å; N53-L56 PolarHBondContact O-N 3.42Å; N53-L56 VanDerWaalsContact O-N 3.08Å; N53-S57 PolarHBondContact O-N 2.94Å; N53-S57 PolarHBondContact O-OG 3.11Å; N53-S102 PolarHBondContact ND2-OG 2.8Å; N53-I133 HydrophobicContact CB-CD1 4.13Å; N53-I133 HydrophobicContact CB-CG1 3.99Å; N53-I133 WeakPolarHBondContact OD1-CG2 3.3Å; N53-W137 PolarHBondContact OD1-NE1 2.82Å
54L95.8Very high95.1Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-62-43.6174.6177.155.6000111.5L50 I51 L56 S57 D58 S99 L103 I106 Y890L50-L54 PolarHBondContact O-N 3.09Å; L50-L54 VanDerWaalsContact O-N 3.16Å; I51-L54 PolarHBondContact O-N 3.42Å; L54-L56 PolarHBondContact O-N 2.92Å; L54-S57 PolarHBondContact O-N 3.14Å; L54-S57 PolarHBondContact O-OG 2.95Å; L54-S57 VanDerWaalsContact O-OG 3.06Å; L54-D58 WeakPolarHBondContact O-CB 3.33Å; L54-D58 PolarHBondContact O-N 3.49Å; L54-S99 WeakPolarHBondContact CD1-OG 3.47Å; L54-L103 HydrophobicContact CD2-CD2 3.59Å; L54-L103 HydrophobicContact CD2-CG 4.09Å; L54-I106 HydrophobicContact CD2-CD1 4.1Å; L54-Y890 WeakPolarHBondContact CD2-OH 3.07Å
55A96.9Very high95.4Very high0 Ų021.3 Ų21.30%012%0.119CC..Hα-helixtrans-64.6-26.4172.500000113.2N30 V33 I51 L59N30-A55 HydrophobicContact CB-CB 4.3Å; N30-A55 WeakPolarHBondContact CB-O 3.45Å; V33-A55 HydrophobicContact CB-CB 3.77Å; V33-A55 HydrophobicContact CG1-CB 3.59Å; I51-A55 WeakPolarHBondContact O-CB 3.1Å; I51-A55 PolarHBondContact O-N 3.46Å; A55-L59 WeakPolarHBondContact O-CB 3.48Å; A55-L59 PolarHBondContact O-N 2.94Å
56L97.1Very high95.7Very high47 Ų4719 Ų1925%0.24611%0.105CC..Hα-helixtrans-74.5-43.9175.7-179.561.2000111.9F34 G52 N53 L54 L59 L60F34-L56 HydrophobicContact CD2-CB 4.22Å; F34-L56 HydrophobicContact CE2-CB 3.96Å; F34-L56 HydrophobicContact CE2-CD1 4.11Å; F34-L56 HydrophobicContact CE2-CD2 4.13Å; F34-L56 HydrophobicContact CE2-CG 4.3Å; F34-L56 HydrophobicContact CZ-CD1 4.06Å; F34-L56 HydrophobicContact CZ-CD2 4.32Å; G52-L56 WeakPolarHBondContact O-CB 3.43Å; G52-L56 PolarHBondContact O-N 2.9Å; N53-L56 WeakPolarHBondContact O-CB 3.49Å; N53-L56 PolarHBondContact O-N 3.42Å; N53-L56 VanDerWaalsContact O-N 3.08Å; L54-L56 PolarHBondContact O-N 2.92Å; L56-L59 PolarHBondContact O-N 3.25Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.35Å; L56-L60 HydrophobicContact CG-CD1 4.16Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.33Å; L56-L60 PolarHBondContact O-N 3.43Å
57S97.3Very high95.9Very high0 Ų020.8 Ų20.80%012%0.117CC..Hα-helixtrans-65.9-42.3174.748.80000111.7N53 L54 L59 L60 L61 S99N53-S57 PolarHBondContact O-N 2.94Å; N53-S57 PolarHBondContact O-OG 3.11Å; L54-S57 PolarHBondContact O-N 3.14Å; L54-S57 PolarHBondContact O-OG 2.95Å; L54-S57 VanDerWaalsContact O-OG 3.06Å; S57-L59 VanDerWaalsContact C-N 3.33Å; S57-L59 PolarHBondContact O-N 3.3Å; S57-L60 PolarHBondContact O-N 3.03Å; S57-L61 WeakPolarHBondContact O-CB 3.07Å; S57-L61 PolarHBondContact O-N 3.25Å; S57-S99 WeakPolarHBondContact CB-OG 3.26Å; S57-S99 PolarHBondContact OG-OG 3.48Å
58D97.2Very high96.2Very high1 Ų121.5 Ų21.51%0.00512%0.118CC..Hα-helixtrans-63.4-35.1174.7-73.7-15000112.7N30 L54 A62 S99 S883 N886N30-D58 HydrophobicContact CB-CB 4.42Å; L54-D58 WeakPolarHBondContact O-CB 3.33Å; L54-D58 PolarHBondContact O-N 3.49Å; D58-A62 WeakPolarHBondContact O-CB 3.47Å; D58-A62 PolarHBondContact O-N 3.12Å; D58-S99 PolarHBondContact OD1-OG 3.45Å; D58-S883 VanDerWaalsContact CG-CB 3.43Å; D58-S883 WeakPolarHBondContact OD1-CB 3.36Å; D58-S883 PolarHBondContact OD1-OG 3.02Å; D58-N886 PolarHBondContact OD2-ND2 3.33Å
59L97.7Very high96.3Very high25 Ų2520.7 Ų20.713%0.13111%0.114CC..Hα-helixtrans-70.5-42.8175.5176.961.3000112.4A27 N30 A31 A55 L56 S57 A62 I63A27-L59 HydrophobicContact CB-CD1 4.37Å; A27-L59 WeakPolarHBondContact O-CD1 3.26Å; N30-L59 HydrophobicContact CB-CB 4.11Å; A31-L59 HydrophobicContact CB-CD1 4.07Å; A31-L59 HydrophobicContact CB-CD2 4.28Å; A55-L59 WeakPolarHBondContact O-CB 3.48Å; A55-L59 PolarHBondContact O-N 2.94Å; L56-L59 PolarHBondContact O-N 3.25Å; S57-L59 VanDerWaalsContact C-N 3.33Å; S57-L59 PolarHBondContact O-N 3.3Å; L59-A62 PolarHBondContact O-N 2.92Å; L59-I63 HydrophobicContact CD1-CD1 3.8Å; L59-I63 HydrophobicContact CD1-CG1 4.3Å; L59-I63 HydrophobicContact CG-CD1 3.95Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.42Å; L59-I63 VanDerWaalsContact O-N 3.08Å
60L97.7Very high96.2Very high50 Ų5019.6 Ų19.626%0.26211%0.111SC..Hα-helixtrans-65.1-41.6178-71.3166.6000111.3L56 S57 A62 I63 T64 Y95 W137L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.35Å; L56-L60 HydrophobicContact CG-CD1 4.16Å; L56-L60 VanDerWaalsContact O-CG 3.28Å; L56-L60 WeakPolarHBondContact O-CG 3.33Å; L56-L60 PolarHBondContact O-N 3.43Å; S57-L60 PolarHBondContact O-N 3.03Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A62 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.19Å; L60-T64 PolarHBondContact O-N 3.06Å; L60-T64 PolarHBondContact O-OG1 3.25Å; L60-Y95 HydrophobicContact CB-CD1 4.35Å; L60-Y95 HydrophobicContact CB-CD2 3.94Å; L60-Y95 HydrophobicContact CB-CE1 4.05Å; L60-Y95 HydrophobicContact CB-CE2 3.58Å; L60-Y95 HydrophobicContact CB-CG 4.33Å; L60-Y95 HydrophobicContact CD1-CE1 3.92Å; L60-W137 HydrophobicContact CD1-CH2 4.02Å
61L97.3Very high96.1Very high1 Ų121.9 Ų21.91%0.00513%0.125CC..Hα-helixtrans-58-44.6170.7177.9143.9000111.7S57 I63 V65 L66 Y95 C96 Y880S57-L61 WeakPolarHBondContact O-CB 3.07Å; S57-L61 PolarHBondContact O-N 3.25Å; L61-I63 VanDerWaalsContact C-N 3.28Å; L61-I63 PolarHBondContact O-N 3.4Å; L61-V65 HydrophobicContact CG-CB 4.18Å; L61-V65 HydrophobicContact CG-CG2 4.32Å; L61-V65 WeakPolarHBondContact O-CA 3.48Å; L61-V65 WeakPolarHBondContact O-CB 3.2Å; L61-V65 PolarHBondContact O-N 3.04Å; L61-L66 HydrophobicContact CD2-CD1 4.1Å; L61-L66 HydrophobicContact CD2-CD2 3.88Å; L61-L66 HydrophobicContact CD2-CG 3.83Å; L61-L66 PolarHBondContact O-N 2.92Å; L61-L66 VanDerWaalsContact O-N 3.13Å; L61-Y95 HydrophobicContact CB-CD2 4.36Å; L61-C96 WeakPolarHBondContact CD1-SG 3.44Å; L61-Y880 HydrophobicContact CD2-CD1 4.48Å
62A97.5Very high95.9Very high2 Ų222.7 Ų22.72%0.01713%0.13CC..Hα-helixtrans-67.2-23.5178.400000114.7T23 T26 A27 D58 L59 L60 L66T23-A62 WeakPolarHBondContact CG2-O 3.23Å; T26-A62 HydrophobicContact CG2-CB 3.79Å; A27-A62 HydrophobicContact CB-CB 3.97Å; D58-A62 WeakPolarHBondContact O-CB 3.47Å; D58-A62 PolarHBondContact O-N 3.12Å; L59-A62 PolarHBondContact O-N 2.92Å; L60-A62 VanDerWaalsContact C-N 3.35Å; L60-A62 PolarHBondContact O-N 3.45Å; A62-L66 HydrophobicContact CB-CD1 4.15Å
63I97.1Very high95.6Very high103 Ų10323.8 Ų23.853%0.52814%0.135SC..Hα-helixtrans-90.2-37.1179.1-69168.1000112.1L59 L60 L61L59-I63 HydrophobicContact CD1-CD1 3.8Å; L59-I63 HydrophobicContact CD1-CG1 4.3Å; L59-I63 HydrophobicContact CG-CD1 3.95Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.42Å; L59-I63 VanDerWaalsContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 3.19Å; L61-I63 VanDerWaalsContact C-N 3.28Å; L61-I63 PolarHBondContact O-N 3.4Å
64T95.8Very high95.3Very high49 Ų4923.5 Ų23.530%0.30113%0.134SC..Hα-helixtrans-108.2-35.3-169.6600000114.4L60 I68 Y95L60-T64 PolarHBondContact O-N 3.06Å; L60-T64 PolarHBondContact O-OG1 3.25Å; T64-I68 WeakPolarHBondContact O-CD1 3.48Å; T64-Y95 WeakPolarHBondContact OG1-CE2 3.46Å
65V96.8Very high94.9Very high0 Ų024 Ų240%014%0.138CC..THydrogen-bonded Turntrans-92.7-57.5-174.7-179.60000109.9L61 I68 S69 I91 D92 Y95 Y880L61-V65 HydrophobicContact CG-CB 4.18Å; L61-V65 HydrophobicContact CG-CG2 4.32Å; L61-V65 WeakPolarHBondContact O-CA 3.48Å; L61-V65 WeakPolarHBondContact O-CB 3.2Å; L61-V65 PolarHBondContact O-N 3.04Å; V65-I68 WeakPolarHBondContact O-CB 3.39Å; V65-I68 PolarHBondContact O-N 2.99Å; V65-S69 PolarHBondContact O-N 3.02Å; V65-S69 PolarHBondContact O-OG 2.83Å; V65-S69 VanDerWaalsContact O-OG 3.06Å; V65-I91 HydrophobicContact CG2-CG2 4Å; V65-D92 HydrophobicContact CG1-CB 3.78Å; V65-D92 HydrophobicContact CG2-CB 4.12Å; V65-Y95 HydrophobicContact CG2-CD2 4.38Å; V65-Y880 HydrophobicContact CG1-CE1 4.25Å
66L96.3Very high94.3Very high0 Ų025.5 Ų25.50%015%0.153CC..Hα-helixtrans-57.8-39.3-170.9-61.1-172.3000115T23 T26 L61 A62 I68 S69 A70 Y880T23-L66 HydrophobicContact CG2-CB 3.94Å; T26-L66 HydrophobicContact CG2-CD1 4.31Å; L61-L66 HydrophobicContact CD2-CD1 4.1Å; L61-L66 HydrophobicContact CD2-CD2 3.88Å; L61-L66 HydrophobicContact CD2-CG 3.83Å; L61-L66 PolarHBondContact O-N 2.92Å; L61-L66 VanDerWaalsContact O-N 3.13Å; A62-L66 HydrophobicContact CB-CD1 4.15Å; L66-I68 VanDerWaalsContact C-N 3.31Å; L66-I68 PolarHBondContact O-N 2.97Å; L66-S69 PolarHBondContact O-N 3.43Å; L66-A70 WeakPolarHBondContact O-CB 3.27Å; L66-A70 PolarHBondContact O-N 3.17Å; L66-Y880 HydrophobicContact CD2-CD1 3.86Å; L66-Y880 HydrophobicContact CD2-CD2 3.45Å; L66-Y880 VanDerWaalsContact CD2-CD2 3.45Å; L66-Y880 HydrophobicContact CD2-CE1 4.27Å; L66-Y880 HydrophobicContact CD2-CE2 3.89Å; L66-Y880 HydrophobicContact CD2-CG 3.43Å; L66-Y880 VanDerWaalsContact CD2-CG 3.43Å
67P95.8Very high93.6Very high53 Ų5323.9 Ų23.934%0.34414%0.144SC..Hα-helixtrans-65.2-34.5177.2-22.134.5000113.1T23 T71T23-P67 HydrophobicContact CG2-CG 4.15Å; P67-T71 WeakPolarHBondContact O-CB 3.45Å; P67-T71 PolarHBondContact O-N 3.14Å; P67-T71 VanDerWaalsContact O-N 3.1Å; P67-T71 PolarHBondContact O-OG1 2.98Å
68I94.6Very high93.2Very high39 Ų3924.2 Ų24.220%0.215%0.145CC..Hα-helixtrans-72.2-48.8176.9-63.5-179.1000109.4T64 V65 L66 A70 T71 T72 W78 F80 W88T64-I68 WeakPolarHBondContact O-CD1 3.48Å; V65-I68 WeakPolarHBondContact O-CB 3.39Å; V65-I68 PolarHBondContact O-N 2.99Å; L66-I68 VanDerWaalsContact C-N 3.31Å; L66-I68 PolarHBondContact O-N 2.97Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 2.86Å; I68-T71 PolarHBondContact O-N 3.28Å; I68-T72 PolarHBondContact O-N 3.38Å; I68-T72 PolarHBondContact O-OG1 3.35Å; I68-W78 HydrophobicContact CG2-CH2 3.41Å; I68-W78 VanDerWaalsContact CG2-CH2 3.41Å; I68-W78 HydrophobicContact CG2-CZ2 4.33Å; I68-W78 HydrophobicContact CG2-CZ3 3.7Å; I68-F80 HydrophobicContact CB-CE2 4.39Å; I68-F80 HydrophobicContact CG1-CZ 4.5Å; I68-F80 HydrophobicContact CG2-CD2 3.84Å; I68-F80 HydrophobicContact CG2-CE2 3.75Å; I68-F80 HydrophobicContact CG2-CZ 4.44Å; I68-W88 HydrophobicContact CG2-CB 4.44Å; I68-W88 VanDerWaalsContact CG2-CD1 3.49Å; I68-W88 HydrophobicContact CG2-CD2 4.32Å; I68-W88 HydrophobicContact CG2-CG 3.85Å
69S94.2Very high92.8Very high3 Ų327.3 Ų27.32%0.02116%0.161CC..Hα-helixtrans-56.5-46.5175.7-48.70000111.5V65 L66 T71 T72 D73 W88 Y880V65-S69 PolarHBondContact O-N 3.02Å; V65-S69 PolarHBondContact O-OG 2.83Å; V65-S69 VanDerWaalsContact O-OG 3.06Å; L66-S69 PolarHBondContact O-N 3.43Å; S69-T71 PolarHBondContact O-N 3.34Å; S69-T72 PolarHBondContact O-N 2.76Å; S69-D73 WeakPolarHBondContact O-CB 3.15Å; S69-D73 PolarHBondContact O-N 2.72Å; S69-W88 WeakPolarHBondContact OG-CZ2 3.49Å; S69-W88 PolarHBondContact OG-NE1 3.4Å; S69-W88 VanDerWaalsContact OG-NE1 3.17Å; S69-Y880 PolarHBondContact OG-OH 2.98Å
70A93.8Very high92.5Very high14 Ų1429.9 Ų29.912%0.11617%0.172CC..Hα-helixtrans-60.3-43.4177.200000113F19 L66 I68 A74 W877F19-A70 HydrophobicContact CB-CB 3.64Å; F19-A70 HydrophobicContact CD2-CB 4.32Å; F19-A70 HydrophobicContact CG-CB 4.27Å; L66-A70 WeakPolarHBondContact O-CB 3.27Å; L66-A70 PolarHBondContact O-N 3.17Å; I68-A70 VanDerWaalsContact C-N 3.34Å; I68-A70 PolarHBondContact O-N 2.86Å; A70-A74 WeakPolarHBondContact O-CB 3.32Å; A70-A74 PolarHBondContact O-N 2.91Å; A70-W877 HydrophobicContact CB-CH2 4.06Å; A70-W877 HydrophobicContact CB-CZ2 4.07Å
71T92.6Very high92Very high53 Ų5328.6 Ų28.633%0.32517%0.171SC..Hα-helixtrans-66.4-45.7179.9-570000110.9P67 I68 S69 T75 L79 F80P67-T71 WeakPolarHBondContact O-CB 3.45Å; P67-T71 PolarHBondContact O-N 3.14Å; P67-T71 VanDerWaalsContact O-N 3.1Å; P67-T71 PolarHBondContact O-OG1 2.98Å; I68-T71 PolarHBondContact O-N 3.28Å; S69-T71 PolarHBondContact O-N 3.34Å; T71-T75 WeakPolarHBondContact O-CB 3.41Å; T71-T75 WeakPolarHBondContact O-CG2 3.38Å; T71-T75 PolarHBondContact O-N 2.87Å; T71-T75 PolarHBondContact O-OG1 2.8Å; T71-L79 HydrophobicContact CG2-CD1 4.15Å; T71-F80 HydrophobicContact CG2-CE2 4.17Å; T71-F80 HydrophobicContact CG2-CZ 3.81Å
72T90.1Very high91.3Very high25 Ų2530.4 Ų30.415%0.15318%0.183CC..Hα-helixtrans-64-47.3177.2-620000111.5I68 S69 A74 G76 W78I68-T72 PolarHBondContact O-N 3.38Å; I68-T72 PolarHBondContact O-OG1 3.35Å; S69-T72 PolarHBondContact O-N 2.76Å; T72-A74 PolarHBondContact O-N 2.88Å; T72-G76 WeakPolarHBondContact O-CA 3.27Å; T72-G76 PolarHBondContact O-N 3.49Å; T72-W78 HydrophobicContact CG2-CE3 3.89Å; T72-W78 VanDerWaalsContact OG1-CE3 3.24Å
73D89.7Confident90.7Very high25 Ų2534.9 Ų34.913%0.13421%0.209CC..Hα-helixtrans-70.4-33.1-177.6-84.8-28.4000113.6F19 S69 K873 W877F19-D73 HydrophobicContact CE2-CB 3.9Å; F19-D73 HydrophobicContact CZ-CB 4.17Å; S69-D73 WeakPolarHBondContact O-CB 3.15Å; S69-D73 PolarHBondContact O-N 2.72Å; D73-K873 HydrophobicContact CB-CD 4.27Å; D73-K873 PolarHBondContact O-NZ 3.39Å; D73-K873 WeakPolarHBondContact OD1-CD 3.49Å; D73-K873 WeakPolarHBondContact OD1-CE 3.27Å; D73-K873 WeakPolarHBondContact OD1-CG 3.17Å; D73-K873 IonicContact OD1-NZ 2.78Å; D73-W877 PolarHBondContact OD2-NE1 2.99Å
74A89Confident90.3Very high4 Ų434.3 Ų34.33%0.03321%0.206CC..Hα-helixtrans-74.2-45.6175.800000112.1Y7 F12 F19 A70 T72Y7-A74 WeakPolarHBondContact CD2-O 3.27Å; F12-A74 HydrophobicContact CD2-CB 4.12Å; F12-A74 VanDerWaalsContact CD2-O 3.3Å; F12-A74 WeakPolarHBondContact CD2-O 3.3Å; F12-A74 HydrophobicContact CE2-CB 3.81Å; F19-A74 HydrophobicContact CD2-CB 4.32Å; F19-A74 HydrophobicContact CE2-CB 4.39Å; A70-A74 WeakPolarHBondContact O-CB 3.32Å; A70-A74 PolarHBondContact O-N 2.91Å; T72-A74 PolarHBondContact O-N 2.88Å
75T87.9Confident90Very high11 Ų1132 Ų327%0.06719%0.191CC..Hα-helixtrans-75.2-28.3-179.558.60000113.1T6 F12 T71 I77 L79T6-T75 PolarHBondContact N-O 2.82Å; F12-T75 HydrophobicContact CE2-CG2 4.07Å; T71-T75 WeakPolarHBondContact O-CB 3.41Å; T71-T75 WeakPolarHBondContact O-CG2 3.38Å; T71-T75 PolarHBondContact O-N 2.87Å; T71-T75 PolarHBondContact O-OG1 2.8Å; T75-I77 VanDerWaalsContact C-N 3.35Å; T75-I77 PolarHBondContact OG1-O 3.43Å; T75-L79 HydrophobicContact CG2-CD1 4.17Å
76G83.8Confident89.5Confident31 Ų3134.2 Ų34.232%0.3220%0.204SC..SBendtrans85.12-175.900000114.5T72T72-G76 WeakPolarHBondContact O-CA 3.27Å; T72-G76 PolarHBondContact O-N 3.49Å
77I83.9Confident89.1Confident12 Ų1237.7 Ų37.76%0.06222%0.221CC..SBendtrans-137.7152.6-176.857.1173.6000111.4I3 T75 L79 L201I3-I77 HydrophobicContact CG2-CD1 4.33Å; T75-I77 VanDerWaalsContact C-N 3.35Å; T75-I77 PolarHBondContact OG1-O 3.43Å; I77-L79 HydrophobicContact CD1-CD2 3.66Å; I77-L79 HydrophobicContact CG1-CD2 3.9Å; I77-L79 HydrophobicContact CG1-CG 4.31Å; I77-L79 PolarHBondContact O-N 2.97Å; I77-L201 HydrophobicContact CG2-CD1 3.99Å
78W88.3Confident88.9Confident7 Ų737 Ų373%0.02721%0.212CC..  trans-88104.6178.1179.9-92.1000111.3I68 T72 F80 G81 M84 C85 W88 Y204 C206I68-W78 HydrophobicContact CG2-CH2 3.41Å; I68-W78 VanDerWaalsContact CG2-CH2 3.41Å; I68-W78 HydrophobicContact CG2-CZ2 4.33Å; I68-W78 HydrophobicContact CG2-CZ3 3.7Å; T72-W78 HydrophobicContact CG2-CE3 3.89Å; T72-W78 VanDerWaalsContact OG1-CE3 3.24Å; W78-F80 HydrophobicContact CD2-CD2 4.33Å; W78-F80 HydrophobicContact CH2-CD2 4.22Å; W78-F80 HydrophobicContact CZ2-CB 3.83Å; W78-F80 HydrophobicContact CZ2-CD2 4.02Å; W78-F80 HydrophobicContact CZ2-CG 4.36Å; W78-F80 HydrophobicContact CZ3-CD2 4.47Å; W78-G81 PolarHBondContact NE1-O 3.01Å; W78-M84 HydrophobicContact CZ2-CB 4.14Å; W78-C85 VanDerWaalsContact CZ2-CA 3.49Å; W78-C85 HydrophobicContact CZ2-CB 4.05Å; W78-W88 HydrophobicContact CH2-CB 3.73Å; W78-W88 AromaticContact CH2-CD2 3.64Å; W78-W88 HydrophobicContact CH2-CD2 3.64Å; W78-W88 AromaticContact CH2-CE3 3.62Å; W78-W88 HydrophobicContact CH2-CE3 3.62Å; W78-W88 AromaticContact CH2-CG 3.7Å; W78-W88 HydrophobicContact CH2-CG 3.7Å; W78-W88 HydrophobicContact CH2-CZ3 4.45Å; W78-W88 HydrophobicContact CZ2-CB 4.43Å; W78-W88 AromaticContact CZ3-CD2 3.74Å; W78-W88 HydrophobicContact CZ3-CD2 3.74Å; W78-W88 AromaticContact CZ3-CE3 3.53Å; W78-W88 HydrophobicContact CZ3-CE3 3.53Å; W78-W88 HydrophobicContact CZ3-CG 4.25Å; W78-W88 HydrophobicContact CZ3-CH2 4.47Å; W78-W88 AromaticContact CZ3-CZ3 3.93Å; W78-W88 HydrophobicContact CZ3-CZ3 3.93Å; W78-Y204 WeakPolarHBondContact CB-O 3.39Å; W78-C206 HydrophobicContact CB-CB 4.06Å; W78-C206 HydrophobicContact CD2-CB 3.4Å; W78-C206 VanDerWaalsContact CD2-CB 3.4Å; W78-C206 HydrophobicContact CE3-CB 3.46Å; W78-C206 VanDerWaalsContact CE3-CB 3.46Å; W78-C206 HydrophobicContact CG-CB 3.64Å; W78-C206 HydrophobicContact CZ3-CB 4.12Å
79L89.4Confident88.7Confident66 Ų6635.5 Ų35.535%0.34620%0.204SC..  trans-83.5-15.3-173.5-66.9179000115T71 T75 I77T71-L79 HydrophobicContact CG2-CD1 4.15Å; T75-L79 HydrophobicContact CG2-CD1 4.17Å; I77-L79 HydrophobicContact CD1-CD2 3.66Å; I77-L79 HydrophobicContact CG1-CD2 3.9Å; I77-L79 HydrophobicContact CG1-CG 4.31Å; I77-L79 PolarHBondContact O-N 2.97Å
80F90.7Very high88.5Confident79 Ų7936.4 Ų36.435%0.34621%0.21SC..SBendtrans-92.50.4-164.4-53.3-80.9000114.6I68 T71 W78 M84I68-F80 HydrophobicContact CB-CE2 4.39Å; I68-F80 HydrophobicContact CG1-CZ 4.5Å; I68-F80 HydrophobicContact CG2-CD2 3.84Å; I68-F80 HydrophobicContact CG2-CE2 3.75Å; I68-F80 HydrophobicContact CG2-CZ 4.44Å; T71-F80 HydrophobicContact CG2-CE2 4.17Å; T71-F80 HydrophobicContact CG2-CZ 3.81Å; W78-F80 HydrophobicContact CD2-CD2 4.33Å; W78-F80 HydrophobicContact CH2-CD2 4.22Å; W78-F80 HydrophobicContact CZ2-CB 3.83Å; W78-F80 HydrophobicContact CZ2-CD2 4.02Å; W78-F80 HydrophobicContact CZ2-CG 4.36Å; W78-F80 HydrophobicContact CZ3-CD2 4.47Å; F80-M84 HydrophobicContact CB-CB 3.69Å; F80-M84 HydrophobicContact CB-CG 4.23Å; F80-M84 WeakPolarHBondContact O-CB 3.29Å; F80-M84 WeakPolarHBondContact O-CG 3.4Å
81G86.9Confident88.4Confident24 Ų2438.1 Ų38.125%0.24722%0.216CC..  trans76.2172.7-179.500000114.5W78 M84 C85W78-G81 PolarHBondContact NE1-O 3.01Å; G81-M84 PolarHBondContact O-N 3.34Å; G81-C85 PolarHBondContact O-N 3.43Å
82P82.2Confident88.5Confident38 Ų3836.7 Ų36.725%0.24721%0.207CC..Hα-helixtrans-60.8-53.7-16820.2-32000113.7M84 C85 D86 H195 Y204P82-M84 PolarHBondContact O-N 2.99Å; P82-M84 VanDerWaalsContact O-N 3.14Å; P82-C85 WeakPolarHBondContact O-CA 3.18Å; P82-C85 WeakPolarHBondContact O-CB 3.49Å; P82-C85 PolarHBondContact O-N 3.06Å; P82-D86 PolarHBondContact O-N 3.08Å; P82-H195 VanDerWaalsContact CB-CD2 3.48Å; P82-H195 WeakPolarHBondContact CB-CD2 3.47Å; P82-H195 VanDerWaalsContact CB-CE1 3.44Å; P82-H195 WeakPolarHBondContact CB-CE1 3.46Å; P82-H195 WeakPolarHBondContact CB-NE2 3.41Å; P82-Y204 HydrophobicContact CB-CD1 4.45Å; P82-Y204 HydrophobicContact CB-CE1 4.44Å; P82-Y204 HydrophobicContact CG-CE2 4.32Å
83V85.2Confident88.6Confident96 Ų9637.1 Ų37.158%0.58221%0.209SC*.Hα-helixtrans-58.9-33-176.3-179.20000112.8C85 I87V83-C85 VanDerWaalsContact C-N 3.33Å; V83-I87 HydrophobicContact CG1-CD1 3.94Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.48Å
84M90Very high88.8Confident91 Ų9138.3 Ų38.345%0.44821%0.213SC..Hα-helixtrans-74.8-22.5176.8-70.6-66.3166.100112.9W78 F80 G81 P82 I87 W88W78-M84 HydrophobicContact CZ2-CB 4.14Å; F80-M84 HydrophobicContact CB-CB 3.69Å; F80-M84 HydrophobicContact CB-CG 4.23Å; F80-M84 WeakPolarHBondContact O-CB 3.29Å; F80-M84 WeakPolarHBondContact O-CG 3.4Å; G81-M84 PolarHBondContact O-N 3.34Å; P82-M84 PolarHBondContact O-N 2.99Å; P82-M84 VanDerWaalsContact O-N 3.14Å; M84-I87 HydrophobicContact CE-CD1 4.47Å; M84-I87 HydrophobicContact SD-CD1 4.17Å; M84-W88 WeakPolarHBondContact O-CB 3.37Å; M84-W88 PolarHBondContact O-N 3.14Å
85C88.9Confident89.2Confident0 Ų039.8 Ų39.80%022%0.218CC..Hα-helixtrans-65.7-48.6172.3176.20000110.1W78 G81 P82 V83 I87 W88 L89 T194 H195 C206W78-C85 VanDerWaalsContact CZ2-CA 3.49Å; W78-C85 HydrophobicContact CZ2-CB 4.05Å; G81-C85 PolarHBondContact O-N 3.43Å; P82-C85 WeakPolarHBondContact O-CA 3.18Å; P82-C85 WeakPolarHBondContact O-CB 3.49Å; P82-C85 PolarHBondContact O-N 3.06Å; V83-C85 VanDerWaalsContact C-N 3.33Å; C85-I87 VanDerWaalsContact C-N 3.34Å; C85-I87 PolarHBondContact O-N 3.41Å; C85-W88 PolarHBondContact O-N 3Å; C85-L89 VanDerWaalsContact O-CB 3.31Å; C85-L89 WeakPolarHBondContact O-CB 3.47Å; C85-L89 VanDerWaalsContact O-CG 3.27Å; C85-L89 WeakPolarHBondContact O-CG 2.98Å; C85-L89 PolarHBondContact O-N 2.86Å; C85-T194 PolarHBondContact SG-O 3.4Å; C85-H195 HydrophobicContact CB-CB 4.48Å; C85-C206 VanDerWaalsContact CA-SG 3.6Å; C85-C206 HydrophobicContact CB-CB 3.75Å; C85-C206 WeakPolarHBondContact CB-SG 3.49Å; C85-C206 WeakPolarHBondContact SG-CA 3.22Å; C85-C206 WeakPolarHBondContact SG-CB 3.35Å; C85-C206 CovalentContact SG-SG 2.03Å; C85-C206 PolarHBondContact SG-SG 3.38Å
86D85.3Confident89.5Confident48 Ų4839.9 Ų39.926%0.25722%0.219SC..Hα-helixtrans-58.1-46.1176.5-63-43.2000112P82 T90 T194P82-D86 PolarHBondContact O-N 3.08Å; D86-T90 VanDerWaalsContact O-CB 3.25Å; D86-T90 WeakPolarHBondContact O-CB 3.5Å; D86-T90 PolarHBondContact O-N 3.01Å; D86-T90 PolarHBondContact O-OG1 3.03Å; D86-T194 VanDerWaalsContact OD1-CB 3.28Å; D86-T194 WeakPolarHBondContact OD1-CB 3.48Å; D86-T194 WeakPolarHBondContact OD1-CG2 3.39Å; D86-T194 PolarHBondContact OD1-OG1 3.08Å
87I88.4Confident90.1Very high72 Ų7238.4 Ų38.437%0.36920%0.204SC..Hα-helixtrans-64.6-48.5179.3-68.3169.7000110.9V83 M84 C85 T90 I91V83-I87 HydrophobicContact CG1-CD1 3.94Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.48Å; M84-I87 HydrophobicContact CE-CD1 4.47Å; M84-I87 HydrophobicContact SD-CD1 4.17Å; C85-I87 VanDerWaalsContact C-N 3.34Å; C85-I87 PolarHBondContact O-N 3.41Å; I87-T90 PolarHBondContact O-N 3.24Å; I87-I91 HydrophobicContact CG2-CD1 3.62Å; I87-I91 HydrophobicContact CG2-CG1 4.41Å; I87-I91 VanDerWaalsContact O-CB 3.31Å; I87-I91 WeakPolarHBondContact O-CB 3.09Å; I87-I91 VanDerWaalsContact O-CG1 3.24Å; I87-I91 WeakPolarHBondContact O-CG1 3.23Å; I87-I91 PolarHBondContact O-N 3.35Å
88W92.3Very high90.7Very high39 Ų3937.9 Ų37.915%0.14820%0.201CC..Hα-helixtrans-64.4-46.5-179.9169.879.8000112I68 S69 W78 M84 C85 T90 I91 D92I68-W88 HydrophobicContact CG2-CB 4.44Å; I68-W88 VanDerWaalsContact CG2-CD1 3.49Å; I68-W88 HydrophobicContact CG2-CD2 4.32Å; I68-W88 HydrophobicContact CG2-CG 3.85Å; S69-W88 WeakPolarHBondContact OG-CZ2 3.49Å; S69-W88 PolarHBondContact OG-NE1 3.4Å; S69-W88 VanDerWaalsContact OG-NE1 3.17Å; W78-W88 HydrophobicContact CH2-CB 3.73Å; W78-W88 AromaticContact CH2-CD2 3.64Å; W78-W88 HydrophobicContact CH2-CD2 3.64Å; W78-W88 AromaticContact CH2-CE3 3.62Å; W78-W88 HydrophobicContact CH2-CE3 3.62Å; W78-W88 AromaticContact CH2-CG 3.7Å; W78-W88 HydrophobicContact CH2-CG 3.7Å; W78-W88 HydrophobicContact CH2-CZ3 4.45Å; W78-W88 HydrophobicContact CZ2-CB 4.43Å; W78-W88 AromaticContact CZ3-CD2 3.74Å; W78-W88 HydrophobicContact CZ3-CD2 3.74Å; W78-W88 AromaticContact CZ3-CE3 3.53Å; W78-W88 HydrophobicContact CZ3-CE3 3.53Å; W78-W88 HydrophobicContact CZ3-CG 4.25Å; W78-W88 HydrophobicContact CZ3-CH2 4.47Å; W78-W88 AromaticContact CZ3-CZ3 3.93Å; W78-W88 HydrophobicContact CZ3-CZ3 3.93Å; M84-W88 WeakPolarHBondContact O-CB 3.37Å; M84-W88 PolarHBondContact O-N 3.14Å; C85-W88 PolarHBondContact O-N 3Å; W88-T90 VanDerWaalsContact C-N 3.34Å; W88-T90 PolarHBondContact O-N 3.09Å; W88-I91 PolarHBondContact O-N 3.34Å; W88-D92 WeakPolarHBondContact O-CB 3.49Å; W88-D92 PolarHBondContact O-N 3.33Å
89L89.6Confident91.1Very high7 Ų738 Ų384%0.03720%0.203CC..Hα-helixtrans-58.4-45.4175.3-73.7176.2000111.6C85 V93 T194 L208 F209C85-L89 VanDerWaalsContact O-CB 3.31Å; C85-L89 WeakPolarHBondContact O-CB 3.47Å; C85-L89 VanDerWaalsContact O-CG 3.27Å; C85-L89 WeakPolarHBondContact O-CG 2.98Å; C85-L89 PolarHBondContact O-N 2.86Å; L89-V93 WeakPolarHBondContact O-CG2 3.26Å; L89-V93 PolarHBondContact O-N 3.1Å; L89-T194 HydrophobicContact CD1-CG2 4.18Å; L89-L208 HydrophobicContact CD2-CB 4.47Å; L89-L208 HydrophobicContact CD2-CD1 3.76Å; L89-F209 HydrophobicContact CB-CE2 4.25Å; L89-F209 HydrophobicContact CD1-CE2 4.44Å
90T89.8Confident91.3Very high23 Ų2335 Ų3514%0.14119%0.188CC..Hα-helixtrans-65.6-42.7179.5-57.10000111.5D86 I87 W88 F94 L148D86-T90 VanDerWaalsContact O-CB 3.25Å; D86-T90 WeakPolarHBondContact O-CB 3.5Å; D86-T90 PolarHBondContact O-N 3.01Å; D86-T90 PolarHBondContact O-OG1 3.03Å; I87-T90 PolarHBondContact O-N 3.24Å; W88-T90 VanDerWaalsContact C-N 3.34Å; W88-T90 PolarHBondContact O-N 3.09Å; T90-F94 WeakPolarHBondContact O-CB 3.26Å; T90-F94 PolarHBondContact O-N 3.44Å; T90-L148 HydrophobicContact CG2-CB 4.26Å; T90-L148 HydrophobicContact CG2-CD1 4.46Å
91I93.1Very high91.6Very high50 Ų5032.6 Ų32.626%0.25618%0.176SC..Hα-helixtrans-71-38.7-178.8-71.6177000111.9V65 I87 W88 F94 Y95V65-I91 HydrophobicContact CG2-CG2 4Å; I87-I91 HydrophobicContact CG2-CD1 3.62Å; I87-I91 HydrophobicContact CG2-CG1 4.41Å; I87-I91 VanDerWaalsContact O-CB 3.31Å; I87-I91 WeakPolarHBondContact O-CB 3.09Å; I87-I91 VanDerWaalsContact O-CG1 3.24Å; I87-I91 WeakPolarHBondContact O-CG1 3.23Å; I87-I91 PolarHBondContact O-N 3.35Å; W88-I91 PolarHBondContact O-N 3.34Å; I91-F94 PolarHBondContact O-N 3.23Å; I91-Y95 HydrophobicContact CG2-CD2 3.52Å; I91-Y95 HydrophobicContact CG2-CE2 3.28Å; I91-Y95 HydrophobicContact CG2-CG 4.43Å; I91-Y95 PolarHBondContact O-N 3.32Å
92D93.6Very high92.1Very high23 Ų2331.7 Ų31.712%0.12317%0.166CC..Hα-helixtrans-62-53.7175.7-169.76.1000110.9V65 W88 F94 Y95 C96 Y880V65-D92 HydrophobicContact CG1-CB 3.78Å; V65-D92 HydrophobicContact CG2-CB 4.12Å; W88-D92 WeakPolarHBondContact O-CB 3.49Å; W88-D92 PolarHBondContact O-N 3.33Å; D92-F94 PolarHBondContact O-N 3.17Å; D92-Y95 PolarHBondContact O-N 2.81Å; D92-C96 WeakPolarHBondContact O-CB 3.27Å; D92-C96 PolarHBondContact O-N 3.46Å; D92-C96 PolarHBondContact O-SG 3.27Å; D92-C96 VanDerWaalsContact O-SG 3.35Å; D92-C96 PolarHBondContact OD1-SG 3.02Å; D92-Y880 PolarHBondContact OD2-OH 3.34Å
93V92Very high92.6Very high33 Ų3330.4 Ų30.420%0.216%0.157CC..Hα-helixtrans-58.8-38.2177.3179.90000110.9L89 T97L89-V93 WeakPolarHBondContact O-CG2 3.26Å; L89-V93 PolarHBondContact O-N 3.1Å; V93-T97 WeakPolarHBondContact O-CB 3.35Å; V93-T97 PolarHBondContact O-N 3.05Å; V93-T97 PolarHBondContact O-OG1 2.99Å
94F95.2Very high93.2Very high51 Ų5126.4 Ų26.422%0.22413%0.133CC..Hα-helixtrans-65.7-51.4178.2176.7-120.9000113.5T90 I91 D92 T97 A98 W137 C144T90-F94 WeakPolarHBondContact O-CB 3.26Å; T90-F94 PolarHBondContact O-N 3.44Å; I91-F94 PolarHBondContact O-N 3.23Å; D92-F94 PolarHBondContact O-N 3.17Å; F94-T97 PolarHBondContact O-N 3.36Å; F94-A98 WeakPolarHBondContact O-CB 3.33Å; F94-A98 PolarHBondContact O-N 3.45Å; F94-W137 HydrophobicContact CE1-CE3 4.03Å; F94-W137 AromaticContact CE1-CZ3 3.82Å; F94-W137 HydrophobicContact CE1-CZ3 3.82Å; F94-W137 HydrophobicContact CE2-CE3 4.2Å; F94-W137 AromaticContact CZ-CE3 3.58Å; F94-W137 HydrophobicContact CZ-CE3 3.58Å; F94-W137 AromaticContact CZ-CZ3 3.87Å; F94-W137 HydrophobicContact CZ-CZ3 3.87Å; F94-C144 WeakPolarHBondContact CA-SG 3.35Å
95Y96.6Very high93.4Very high34 Ų3422.7 Ų22.713%0.13312%0.115CC..Hα-helixtrans-71.1-37.2-179.8-66.8-28.8000112.5L60 L61 T64 V65 I91 D92 A98 S99 W137L60-Y95 HydrophobicContact CB-CD1 4.35Å; L60-Y95 HydrophobicContact CB-CD2 3.94Å; L60-Y95 HydrophobicContact CB-CE1 4.05Å; L60-Y95 HydrophobicContact CB-CE2 3.58Å; L60-Y95 HydrophobicContact CB-CG 4.33Å; L60-Y95 HydrophobicContact CD1-CE1 3.92Å; L61-Y95 HydrophobicContact CB-CD2 4.36Å; T64-Y95 WeakPolarHBondContact OG1-CE2 3.46Å; V65-Y95 HydrophobicContact CG2-CD2 4.38Å; I91-Y95 HydrophobicContact CG2-CD2 3.52Å; I91-Y95 HydrophobicContact CG2-CE2 3.28Å; I91-Y95 HydrophobicContact CG2-CG 4.43Å; I91-Y95 PolarHBondContact O-N 3.32Å; D92-Y95 PolarHBondContact O-N 2.81Å; Y95-A98 PolarHBondContact O-N 2.82Å; Y95-S99 PolarHBondContact O-N 3.29Å; Y95-W137 HydrophobicContact CD1-CH2 4.12Å; Y95-W137 AromaticContact CD1-CZ3 3.85Å; Y95-W137 HydrophobicContact CD1-CZ3 3.85Å; Y95-W137 HydrophobicContact CE1-CH2 4.27Å; Y95-W137 AromaticContact CE1-CZ3 3.97Å; Y95-W137 HydrophobicContact CE1-CZ3 3.97Å
96C94.6Very high93.7Very high13 Ų1323.3 Ų23.39%0.08812%0.118CC..Hα-helixtrans-59.7-50.7171.2-73.10000110.9L61 D92 A98 S99 V100 W847L61-C96 WeakPolarHBondContact CD1-SG 3.44Å; D92-C96 WeakPolarHBondContact O-CB 3.27Å; D92-C96 PolarHBondContact O-N 3.46Å; D92-C96 PolarHBondContact O-SG 3.27Å; D92-C96 VanDerWaalsContact O-SG 3.35Å; D92-C96 PolarHBondContact OD1-SG 3.02Å; C96-A98 VanDerWaalsContact C-N 3.29Å; C96-A98 PolarHBondContact O-N 2.93Å; C96-S99 PolarHBondContact O-N 3.43Å; C96-S99 VanDerWaalsContact O-N 3.09Å; C96-V100 WeakPolarHBondContact O-CG2 3.28Å; C96-V100 PolarHBondContact O-N 3.33Å; C96-W847 HydrophobicContact CB-CH2 3.94Å; C96-W847 HydrophobicContact CB-CZ2 4.45Å; C96-W847 WeakPolarHBondContact SG-CH2 3.29Å
97T95.5Very high94.1Very high1 Ų121 Ų211%0.00611%0.106CC..Hα-helixtrans-58.1-40.1177-59.40000111.6V93 F94 V100 W101 I143 S222V93-T97 WeakPolarHBondContact O-CB 3.35Å; V93-T97 PolarHBondContact O-N 3.05Å; V93-T97 PolarHBondContact O-OG1 2.99Å; F94-T97 PolarHBondContact O-N 3.36Å; T97-V100 PolarHBondContact O-N 3.28Å; T97-W101 PolarHBondContact O-N 2.91Å; T97-I143 HydrophobicContact CG2-CB 4.38Å; T97-I143 HydrophobicContact CG2-CD1 3.92Å; T97-I143 HydrophobicContact CG2-CG2 4.29Å; T97-S222 WeakPolarHBondContact OG1-CB 3.33Å; T97-S222 PolarHBondContact OG1-OG 2.88Å
98A97.5Very high94.4Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-65-38.1175.300000113.3F94 Y95 C96 S102 V136 W137 S140F94-A98 WeakPolarHBondContact O-CB 3.33Å; F94-A98 PolarHBondContact O-N 3.45Å; Y95-A98 PolarHBondContact O-N 2.82Å; C96-A98 VanDerWaalsContact C-N 3.29Å; C96-A98 PolarHBondContact O-N 2.93Å; A98-S102 VanDerWaalsContact O-CB 3.26Å; A98-S102 WeakPolarHBondContact O-CB 3.47Å; A98-S102 PolarHBondContact O-N 2.82Å; A98-S102 PolarHBondContact O-OG 2.89Å; A98-V136 HydrophobicContact CB-CG1 4.47Å; A98-V136 WeakPolarHBondContact O-CG1 3.16Å; A98-W137 HydrophobicContact CB-CE3 3.99Å; A98-W137 HydrophobicContact CB-CH2 4.11Å; A98-W137 HydrophobicContact CB-CZ3 3.79Å; A98-S140 VanDerWaalsContact CA-OG 3.27Å; A98-S140 WeakPolarHBondContact CA-OG 3.35Å; A98-S140 PolarHBondContact N-OG 3.46Å
99S95.6Very high94.4Very high9 Ų920 Ų206%0.06310%0.101CC..Hα-helixtrans-66.1-42.3171.8-78.30000111.6L54 S57 D58 Y95 C96 S102 L103L54-S99 WeakPolarHBondContact CD1-OG 3.47Å; S57-S99 WeakPolarHBondContact CB-OG 3.26Å; S57-S99 PolarHBondContact OG-OG 3.48Å; D58-S99 PolarHBondContact OD1-OG 3.45Å; Y95-S99 PolarHBondContact O-N 3.29Å; C96-S99 PolarHBondContact O-N 3.43Å; C96-S99 VanDerWaalsContact O-N 3.09Å; S99-S102 WeakPolarHBondContact O-CB 3.49Å; S99-S102 PolarHBondContact O-N 2.78Å; S99-L103 PolarHBondContact O-N 2.91Å; S99-L103 VanDerWaalsContact O-N 3.1Å
100V95.1Very high94.5Very high4 Ų420.8 Ų20.82%0.02410%0.103CC..Hα-helixtrans-64.9-48.1177.2-170.70000111.9C96 T97 S102 L103 V104 S222 P226 M230 F843C96-V100 WeakPolarHBondContact O-CG2 3.28Å; C96-V100 PolarHBondContact O-N 3.33Å; T97-V100 PolarHBondContact O-N 3.28Å; V100-S102 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.18Å; V100-L103 WeakPolarHBondContact O-CB 3.42Å; V100-L103 PolarHBondContact O-N 3.34Å; V100-V104 PolarHBondContact O-N 3.1Å; V100-S222 WeakPolarHBondContact CG2-O 3.4Å; V100-P226 HydrophobicContact CG1-CB 3.44Å; V100-P226 VanDerWaalsContact CG1-CB 3.44Å; V100-P226 HydrophobicContact CG1-CG 4.09Å; V100-M230 HydrophobicContact CG1-CE 4.18Å; V100-F843 HydrophobicContact CB-CZ 4.18Å; V100-F843 HydrophobicContact CG1-CE1 4.24Å; V100-F843 HydrophobicContact CG1-CZ 3.69Å; V100-F843 HydrophobicContact CG2-CE2 3.82Å; V100-F843 HydrophobicContact CG2-CZ 3.57Å
101W96.9Very high94.6Very high29 Ų2921.3 Ų21.311%0.1110%0.104CC..Hα-helixtrans-69.7-23.7178.1-78.599.7000112.9T97 V104 T105 V136 L139 G221 P226 I229T97-W101 PolarHBondContact O-N 2.91Å; W101-V104 HydrophobicContact CE3-CB 4.06Å; W101-V104 HydrophobicContact CE3-CG1 4.04Å; W101-V104 HydrophobicContact CE3-CG2 4.13Å; W101-V104 HydrophobicContact CZ3-CG1 4.05Å; W101-V104 PolarHBondContact O-N 3.25Å; W101-T105 WeakPolarHBondContact O-CB 3.35Å; W101-T105 PolarHBondContact O-N 2.89Å; W101-T105 PolarHBondContact O-OG1 3.03Å; W101-V136 HydrophobicContact CB-CB 4.48Å; W101-V136 HydrophobicContact CB-CG1 3.94Å; W101-V136 HydrophobicContact CB-CG2 4.18Å; W101-L139 HydrophobicContact CD2-CD2 3.58Å; W101-L139 HydrophobicContact CD2-CG 4.45Å; W101-L139 HydrophobicContact CE3-CD2 3.7Å; W101-L139 HydrophobicContact CG-CD2 4.24Å; W101-L139 HydrophobicContact CH2-CD2 3.87Å; W101-L139 HydrophobicContact CZ2-CD2 3.75Å; W101-L139 HydrophobicContact CZ3-CD2 3.84Å; W101-G221 PolarHBondContact NE1-O 3.49Å; W101-G221 VanDerWaalsContact NE1-O 3.11Å; W101-P226 HydrophobicContact CD2-CG 4.34Å; W101-P226 HydrophobicContact CH2-CG 4.46Å; W101-P226 HydrophobicContact CZ2-CG 3.73Å; W101-I229 HydrophobicContact CH2-CD1 4.18Å; W101-I229 HydrophobicContact CZ3-CD1 4.46Å
102S96.4Very high94.6Very high4 Ų419.4 Ų19.43%0.0289%0.094CC..Hα-helixtrans-63.9-41.8165.9-65.70000111.9N53 A98 S99 V100 T105 I106N53-S102 PolarHBondContact ND2-OG 2.8Å; A98-S102 VanDerWaalsContact O-CB 3.26Å; A98-S102 WeakPolarHBondContact O-CB 3.47Å; A98-S102 PolarHBondContact O-N 2.82Å; A98-S102 PolarHBondContact O-OG 2.89Å; S99-S102 WeakPolarHBondContact O-CB 3.49Å; S99-S102 PolarHBondContact O-N 2.78Å; V100-S102 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.18Å; S102-T105 WeakPolarHBondContact O-CB 3.36Å; S102-T105 PolarHBondContact O-N 3.46Å; S102-I106 WeakPolarHBondContact O-CG1 3.34Å; S102-I106 PolarHBondContact O-N 2.98Å
103L94.1Very high94.4Very high12 Ų1219 Ų196%0.0639%0.093CC..Hα-helixtrans-65-40.9174.7-69.6170.5000112.4L54 S99 V100 T105 I106 A107 M230 I839 F843L54-L103 HydrophobicContact CD2-CD2 3.59Å; L54-L103 HydrophobicContact CD2-CG 4.09Å; S99-L103 PolarHBondContact O-N 2.91Å; S99-L103 VanDerWaalsContact O-N 3.1Å; V100-L103 WeakPolarHBondContact O-CB 3.42Å; V100-L103 PolarHBondContact O-N 3.34Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.38Å; L103-I106 PolarHBondContact O-N 3.37Å; L103-A107 WeakPolarHBondContact O-CB 3.16Å; L103-A107 PolarHBondContact O-N 2.98Å; L103-M230 HydrophobicContact CB-CE 4.33Å; L103-M230 HydrophobicContact CB-SD 3.6Å; L103-M230 VanDerWaalsContact CB-SD 3.6Å; L103-I839 HydrophobicContact CD2-CG2 3.84Å; L103-F843 HydrophobicContact CD1-CB 4.27Å; L103-F843 HydrophobicContact CD1-CD1 4.3Å; L103-F843 HydrophobicContact CD1-CD2 3.55Å; L103-F843 HydrophobicContact CD1-CE2 3.95Å; L103-F843 HydrophobicContact CD1-CG 3.76Å; L103-F843 HydrophobicContact CD1-CZ 4.47Å
104V96.1Very high94.2Very high11 Ų1117.9 Ų17.97%0.0679%0.087CC..Hα-helixtrans-58-43.3171.2178.30000111V100 W101 A107 F108 P226 I229 M230V100-V104 PolarHBondContact O-N 3.1Å; W101-V104 HydrophobicContact CE3-CB 4.06Å; W101-V104 HydrophobicContact CE3-CG1 4.04Å; W101-V104 HydrophobicContact CE3-CG2 4.13Å; W101-V104 HydrophobicContact CZ3-CG1 4.05Å; W101-V104 PolarHBondContact O-N 3.25Å; V104-A107 WeakPolarHBondContact O-CB 3.37Å; V104-A107 PolarHBondContact O-N 3.16Å; V104-F108 PolarHBondContact O-N 3.16Å; V104-P226 HydrophobicContact CG2-CB 3.68Å; V104-I229 HydrophobicContact CG1-CG2 3.78Å; V104-M230 HydrophobicContact CB-CG 4.49Å; V104-M230 HydrophobicContact CG2-CE 4.48Å; V104-M230 HydrophobicContact CG2-CG 3.92Å; V104-M230 HydrophobicContact CG2-SD 4.42Å
105T95.9Very high94Very high13 Ų1317 Ų178%0.089%0.086CC..Hα-helixtrans-67-40180-61.40000112L50 W101 S102 L103 F108 D109 Y132 V136L50-T105 HydrophobicContact CD1-CG2 4.14Å; L50-T105 HydrophobicContact CD2-CG2 3.62Å; W101-T105 WeakPolarHBondContact O-CB 3.35Å; W101-T105 PolarHBondContact O-N 2.89Å; W101-T105 PolarHBondContact O-OG1 3.03Å; S102-T105 WeakPolarHBondContact O-CB 3.36Å; S102-T105 PolarHBondContact O-N 3.46Å; L103-T105 VanDerWaalsContact C-N 3.29Å; L103-T105 PolarHBondContact O-N 3.38Å; T105-F108 PolarHBondContact O-N 3.13Å; T105-D109 PolarHBondContact O-N 3.39Å; T105-Y132 HydrophobicContact CG2-CD2 4.17Å; T105-Y132 HydrophobicContact CG2-CG 4.23Å; T105-V136 WeakPolarHBondContact OG1-CG2 3.39Å
106I93.6Very high93.7Very high13 Ų1320.7 Ų20.77%0.06710%0.103CC..Hα-helixtrans-62.7-43.8171.6-68.8164.5000110.2L50 I51 L54 S102 L103 F108 D109 R110L50-I106 HydrophobicContact CB-CD1 4.42Å; L50-I106 HydrophobicContact CB-CG1 3.74Å; L50-I106 HydrophobicContact CD1-CG1 4.41Å; I51-I106 HydrophobicContact CG1-CD1 4.45Å; L54-I106 HydrophobicContact CD2-CD1 4.1Å; S102-I106 WeakPolarHBondContact O-CG1 3.34Å; S102-I106 PolarHBondContact O-N 2.98Å; L103-I106 PolarHBondContact O-N 3.37Å; I106-F108 VanDerWaalsContact C-N 3.28Å; I106-F108 PolarHBondContact O-N 3.37Å; I106-D109 PolarHBondContact O-N 2.96Å; I106-R110 HydrophobicContact CG2-CG 4.42Å; I106-R110 VanDerWaalsContact O-CG 3.31Å; I106-R110 WeakPolarHBondContact O-CG 3.45Å; I106-R110 PolarHBondContact O-N 3.15Å
107A94.1Very high93.3Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-57.8-40.9175.300000112L103 V104 R110 F111 M230 L233 Y234L103-A107 WeakPolarHBondContact O-CB 3.16Å; L103-A107 PolarHBondContact O-N 2.98Å; V104-A107 WeakPolarHBondContact O-CB 3.37Å; V104-A107 PolarHBondContact O-N 3.16Å; A107-R110 PolarHBondContact O-N 3.07Å; A107-F111 WeakPolarHBondContact O-CB 3.37Å; A107-F111 PolarHBondContact O-N 2.92Å; A107-M230 HydrophobicContact CB-CG 4.31Å; A107-L233 HydrophobicContact CB-CB 4.28Å; A107-L233 HydrophobicContact CB-CD1 3.82Å; A107-Y234 HydrophobicContact CB-CD2 3.9Å; A107-Y234 HydrophobicContact CB-CE2 3.3Å
108F94.5Very high92.9Very high84 Ų8430.3 Ų30.337%0.36816%0.155SC..Hα-helixtrans-71.6-39.3178-173.9-102.4000113.2V104 T105 I106 F111 T112 L233V104-F108 PolarHBondContact O-N 3.16Å; T105-F108 PolarHBondContact O-N 3.13Å; I106-F108 VanDerWaalsContact C-N 3.28Å; I106-F108 PolarHBondContact O-N 3.37Å; F108-F111 HydrophobicContact CD2-CD1 4.47Å; F108-F111 PolarHBondContact O-N 3.13Å; F108-T112 HydrophobicContact CD1-CG2 4.26Å; F108-T112 HydrophobicContact CE1-CG2 3.81Å; F108-T112 HydrophobicContact CE2-CG2 4.09Å; F108-T112 HydrophobicContact CZ-CG2 3.72Å; F108-T112 WeakPolarHBondContact O-CG2 3.27Å; F108-T112 PolarHBondContact O-N 3.34Å; F108-T112 PolarHBondContact O-OG1 2.85Å; F108-L233 HydrophobicContact CB-CD1 4.28Å; F108-L233 HydrophobicContact CD2-CD2 4.4Å
109D92.8Very high92.6Very high7 Ų736 Ų364%0.03718%0.177CC..Hα-helixtrans-60.5-44170.8179.672.7000111.1S47 L50 T105 I106 T112 A113 Y120S47-D109 PolarHBondContact OG-OD2 3.22Å; L50-D109 HydrophobicContact CD1-CB 3.67Å; T105-D109 PolarHBondContact O-N 3.39Å; I106-D109 PolarHBondContact O-N 2.96Å; D109-T112 PolarHBondContact O-OG1 3.21Å; D109-A113 WeakPolarHBondContact O-CB 3.32Å; D109-A113 PolarHBondContact O-N 2.94Å; D109-Y120 VanDerWaalsContact CG-OH 3.27Å; D109-Y120 VanDerWaalsContact OD1-CE2 3.25Å; D109-Y120 WeakPolarHBondContact OD1-CE2 3.37Å; D109-Y120 PolarHBondContact OD1-OH 3.42Å; D109-Y120 PolarHBondContact OD2-OH 3.45Å
110R91.3Very high92.2Very high22 Ų2237.1 Ų37.18%0.08318%0.18CC..Hα-helixtrans-65.5-38.6173.8-64.9-58.582.8-158.8-0.5112.5S47 I106 A107 T114 I237 E829 M836S47-R110 PolarHBondContact OG-NH2 3.28Å; I106-R110 HydrophobicContact CG2-CG 4.42Å; I106-R110 VanDerWaalsContact O-CG 3.31Å; I106-R110 WeakPolarHBondContact O-CG 3.45Å; I106-R110 PolarHBondContact O-N 3.15Å; A107-R110 PolarHBondContact O-N 3.07Å; R110-T114 WeakPolarHBondContact O-CB 2.99Å; R110-T114 PolarHBondContact O-N 3.5Å; R110-T114 PolarHBondContact O-OG1 2.89Å; R110-I237 HydrophobicContact CB-CD1 3.98Å; R110-E829 IonicContact NH1-OE2 2.77Å; R110-M836 HydrophobicContact CG-CG 4.29Å
111F92.4Very high91.8Very high35 Ų3547 Ų4715%0.15422%0.217CC..Hα-helixtrans-66.4-45.3177.5172.3-105.6000112.2A107 F108 T114 T115 L233 K236 I237 I240A107-F111 WeakPolarHBondContact O-CB 3.37Å; A107-F111 PolarHBondContact O-N 2.92Å; F108-F111 HydrophobicContact CD2-CD1 4.47Å; F108-F111 PolarHBondContact O-N 3.13Å; F111-T114 PolarHBondContact O-N 3.4Å; F111-T115 WeakPolarHBondContact CD2-OG1 3.41Å; F111-T115 WeakPolarHBondContact CE2-OG1 3.41Å; F111-T115 HydrophobicContact CZ-CG2 4.41Å; F111-T115 VanDerWaalsContact O-CB 3.24Å; F111-T115 WeakPolarHBondContact O-CB 3.21Å; F111-T115 PolarHBondContact O-N 2.99Å; F111-T115 PolarHBondContact O-OG1 3.34Å; F111-L233 HydrophobicContact CB-CD2 3.92Å; F111-L233 HydrophobicContact CD1-CD2 3.89Å; F111-L233 HydrophobicContact CD2-CD2 4.33Å; F111-L233 HydrophobicContact CG-CD2 3.77Å; F111-K236 HydrophobicContact CD2-CB 4.21Å; F111-K236 HydrophobicContact CE2-CB 3.9Å; F111-K236 HydrophobicContact CE2-CD 4.19Å; F111-I237 HydrophobicContact CB-CD1 3.95Å; F111-I237 HydrophobicContact CB-CG1 4.02Å; F111-I237 HydrophobicContact CD2-CG1 4.09Å; F111-I240 HydrophobicContact CE2-CD1 4.28Å
112T92.6Very high91.2Very high10 Ų1049.1 Ų49.16%0.06125%0.247CC..Hα-helixtrans-69.6-41.317952.90000111.9F108 D109 F116F108-T112 HydrophobicContact CD1-CG2 4.26Å; F108-T112 HydrophobicContact CE1-CG2 3.81Å; F108-T112 HydrophobicContact CE2-CG2 4.09Å; F108-T112 HydrophobicContact CZ-CG2 3.72Å; F108-T112 WeakPolarHBondContact O-CG2 3.27Å; F108-T112 PolarHBondContact O-N 3.34Å; F108-T112 PolarHBondContact O-OG1 2.85Å; D109-T112 PolarHBondContact O-OG1 3.21Å; T112-F116 PolarHBondContact O-N 2.81Å
113A89.9Confident90.7Very high13 Ų1352 Ų5211%0.10726%0.262CS..Hα-helixtrans-60.1-44.9172.200000112.6D109 Y120D109-A113 WeakPolarHBondContact O-CB 3.32Å; D109-A113 PolarHBondContact O-N 2.94Å; A113-Y120 HydrophobicContact CB-CD1 3.76Å; A113-Y120 HydrophobicContact CB-CD2 3.84Å; A113-Y120 HydrophobicContact CB-CE1 3.76Å; A113-Y120 HydrophobicContact CB-CE2 3.83Å; A113-Y120 HydrophobicContact CB-CG 3.82Å
114T88.4Confident90Very high10 Ų1056.9 Ų56.96%0.06128%0.283CS..Hα-helixtrans-66-51.8177.9-59.10000110.7R110 F111 I237 I240 L241 R244R110-T114 WeakPolarHBondContact O-CB 2.99Å; R110-T114 PolarHBondContact O-N 3.5Å; R110-T114 PolarHBondContact O-OG1 2.89Å; F111-T114 PolarHBondContact O-N 3.4Å; T114-I237 HydrophobicContact CG2-CG2 4.33Å; T114-I240 HydrophobicContact CG2-CB 4.34Å; T114-I240 HydrophobicContact CG2-CG2 3.88Å; T114-L241 HydrophobicContact CG2-CD2 3.82Å; T114-L241 HydrophobicContact CG2-CG 4.01Å; T114-R244 PolarHBondContact O-NH1 3.01Å; T114-R244 PolarHBondContact O-NH2 2.82Å
115T90.3Very high89.6Confident32 Ų3260 Ų6020%0.19630%0.299CS..Hα-helixtrans-73.1-44.4-170.2-51.90000112.1F111 P117 I240 R244F111-T115 WeakPolarHBondContact CD2-OG1 3.41Å; F111-T115 WeakPolarHBondContact CE2-OG1 3.41Å; F111-T115 HydrophobicContact CZ-CG2 4.41Å; F111-T115 VanDerWaalsContact O-CB 3.24Å; F111-T115 WeakPolarHBondContact O-CB 3.21Å; F111-T115 PolarHBondContact O-N 2.99Å; F111-T115 PolarHBondContact O-OG1 3.34Å; T115-P117 VanDerWaalsContact C-CD 3.42Å; T115-P117 VanDerWaalsContact O-CD 3.24Å; T115-P117 WeakPolarHBondContact O-CD 3.36Å; T115-I240 HydrophobicContact CG2-CD1 4.12Å; T115-I240 WeakPolarHBondContact OG1-CD1 3.38Å; T115-R244 PolarHBondContact O-NH2 3.05Å
116F90.3Very high89.3Confident112 Ų11267.3 Ų67.349%0.49133%0.326SS..  trans-12259.3-170.5-53.5-69.6000112.6T112 I118 W119 Y120T112-F116 PolarHBondContact O-N 2.81Å; F116-I118 VanDerWaalsContact C-N 3.31Å; F116-I118 PolarHBondContact O-N 3.21Å; F116-I118 VanDerWaalsContact O-N 3.16Å; F116-W119 HydrophobicContact CB-CB 4.26Å; F116-W119 PolarHBondContact O-N 2.98Å; F116-Y120 WeakPolarHBondContact O-CB 3.42Å; F116-Y120 PolarHBondContact O-N 3.18Å
117P86Confident89.2Confident62 Ų6276 Ų7640%0.40336%0.357SS..Hα-helixtrans-60.6-34.1-166.723.3-34.6000114.3T115 R121T115-P117 VanDerWaalsContact C-CD 3.42Å; T115-P117 VanDerWaalsContact O-CD 3.24Å; T115-P117 WeakPolarHBondContact O-CD 3.36Å; P117-R121 VanDerWaalsContact O-CB 3.27Å; P117-R121 WeakPolarHBondContact O-CB 3.21Å; P117-R121 PolarHBondContact O-N 2.95Å
118I87.1Confident89.2Confident154 Ų15478.8 Ų78.879%0.7937%0.368SS*.Hα-helixtrans-67.6-51.2178-59.2174.6000110.5F116 R121 G122F116-I118 VanDerWaalsContact C-N 3.31Å; F116-I118 PolarHBondContact O-N 3.21Å; F116-I118 VanDerWaalsContact O-N 3.16Å; I118-R121 PolarHBondContact O-N 2.82Å; I118-G122 PolarHBondContact O-N 3.01Å
119W90.3Very high89.2Confident121 Ų12175 Ų7546%0.45835%0.351SS..Hα-helixtrans-64.3-41.9177.7177.893.2000111.6F116 R121 G122 N123 R128F116-W119 HydrophobicContact CB-CB 4.26Å; F116-W119 PolarHBondContact O-N 2.98Å; W119-R121 PolarHBondContact O-N 3.37Å; W119-G122 PolarHBondContact O-N 3.42Å; W119-N123 HydrophobicContact CD2-CB 4.35Å; W119-N123 PolarHBondContact NE1-ND2 2.96Å; W119-N123 WeakPolarHBondContact O-CB 3.39Å; W119-N123 PolarHBondContact O-N 3.16Å; W119-R128 VanDerWaalsContact CZ3-NH1 3.26Å
120Y88.6Confident89.3Confident31 Ų3178.1 Ų78.112%0.12237%0.368CS..Hα-helixtrans-61.6-43.2177.3-175.7-89.6000111.6S47 D109 A113 F116 K124S47-Y120 PolarHBondContact OG-OH 2.75Å; D109-Y120 VanDerWaalsContact CG-OH 3.27Å; D109-Y120 VanDerWaalsContact OD1-CE2 3.25Å; D109-Y120 WeakPolarHBondContact OD1-CE2 3.37Å; D109-Y120 PolarHBondContact OD1-OH 3.42Å; D109-Y120 PolarHBondContact OD2-OH 3.45Å; A113-Y120 HydrophobicContact CB-CD1 3.76Å; A113-Y120 HydrophobicContact CB-CD2 3.84Å; A113-Y120 HydrophobicContact CB-CE1 3.76Å; A113-Y120 HydrophobicContact CB-CE2 3.83Å; A113-Y120 HydrophobicContact CB-CG 3.82Å; F116-Y120 WeakPolarHBondContact O-CB 3.42Å; F116-Y120 PolarHBondContact O-N 3.18Å; Y120-K124 WeakPolarHBondContact O-CB 3.25Å; Y120-K124 PolarHBondContact O-N 3.38Å
121R85.4Confident89.5Confident213 Ų21380.8 Ų80.880%0.80439%0.389SS*.Hα-helixtrans-65.5-44.8176.6-177.5175178.4164.80.6112.4P117 I118 W119P117-R121 VanDerWaalsContact O-CB 3.27Å; P117-R121 WeakPolarHBondContact O-CB 3.21Å; P117-R121 PolarHBondContact O-N 2.95Å; I118-R121 PolarHBondContact O-N 2.82Å; W119-R121 PolarHBondContact O-N 3.37Å
122G85.4Confident89.8Confident73 Ų7381.5 Ų81.575%0.75339%0.391SS*.Hα-helixtrans-71.5-29.9-179.800000113.9I118 W119I118-G122 PolarHBondContact O-N 3.01Å; W119-G122 PolarHBondContact O-N 3.42Å
123N84.8Confident90Very high64 Ų6482.6 Ų82.634%0.34240%0.396SS..THydrogen-bonded Turntrans-108.627.9-172.2-146-17.6000112.5W119 N125 R128W119-N123 HydrophobicContact CD2-CB 4.35Å; W119-N123 PolarHBondContact NE1-ND2 2.96Å; W119-N123 WeakPolarHBondContact O-CB 3.39Å; W119-N123 PolarHBondContact O-N 3.16Å; N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.45Å; N123-R128 PolarHBondContact ND2-NH2 2.93Å; N123-R128 PolarHBondContact O-NH1 3.08Å; N123-R128 PolarHBondContact OD1-NH2 3.47Å; N123-R128 VanDerWaalsContact OD1-NH2 3.15Å
124K80.7Confident90.4Very high115 Ų11586.7 Ų86.750%0.542%0.415SS..  trans-7967.7-176.1-167.1-176.2-179.8-179.70112.2T46 Y120T46-K124 HydrophobicContact CG2-CG 3.89Å; T46-K124 WeakPolarHBondContact OG1-CE 3.21Å; Y120-K124 WeakPolarHBondContact O-CB 3.25Å; Y120-K124 PolarHBondContact O-N 3.38Å
125N86.4Confident90.8Very high77 Ų7791.8 Ų91.841%0.41244%0.437SS..  trans-93.9136-177.1-167.5-23.9000112.5N123 R127 R128N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.45Å; N125-R127 VanDerWaalsContact C-N 3.31Å; N125-R127 PolarHBondContact O-N 3.2Å; N125-R127 WeakPolarHBondContact OD1-CB 3.24Å; N125-R127 PolarHBondContact OD1-N 2.75Å; N125-R128 WeakPolarHBondContact O-CB 3.37Å; N125-R128 PolarHBondContact O-N 2.75Å
126R90.1Very high91.2Very high166 Ų16690.3 Ų90.363%0.62643%0.428SS*.Hα-helixtrans-61.6-36.5172.2-174.5179.6177.9-164.7-2.6112.1L49 R128 V129 I130L49-R126 HydrophobicContact CD1-CG 4.02Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.32Å; R126-V129 PolarHBondContact O-N 3.02Å; R126-V129 VanDerWaalsContact O-N 3.13Å; R126-I130 HydrophobicContact CG-CD1 4.11Å; R126-I130 PolarHBondContact O-N 3.37Å; R126-I130 VanDerWaalsContact O-N 3.13Å
127R92.6Very high91.6Very high195 Ų19587.4 Ų87.474%0.73641%0.413SS*.Hα-helixtrans-56-43.1178.2-66.2-175179.8172.5-0.2111.6N125 V129 I130 C131N125-R127 VanDerWaalsContact C-N 3.31Å; N125-R127 PolarHBondContact O-N 3.2Å; N125-R127 WeakPolarHBondContact OD1-CB 3.24Å; N125-R127 PolarHBondContact OD1-N 2.75Å; R127-V129 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 3.13Å; R127-I130 WeakPolarHBondContact O-CB 3.33Å; R127-I130 PolarHBondContact O-N 3.45Å; R127-I130 VanDerWaalsContact O-N 3.16Å; R127-C131 PolarHBondContact O-N 3.13Å; R127-C131 PolarHBondContact O-SG 2.68Å
128R92.6Very high92.1Very high58 Ų5889.6 Ų89.622%0.21942%0.421CS..Hα-helixtrans-56.5-44.4176.2175.1-176.6-67.5-174.5-4.7112.8W119 N123 N125 R126 I130 C131 Y132W119-R128 VanDerWaalsContact CZ3-NH1 3.26Å; N123-R128 PolarHBondContact ND2-NH2 2.93Å; N123-R128 PolarHBondContact O-NH1 3.08Å; N123-R128 PolarHBondContact OD1-NH2 3.47Å; N123-R128 VanDerWaalsContact OD1-NH2 3.15Å; N125-R128 WeakPolarHBondContact O-CB 3.37Å; N125-R128 PolarHBondContact O-N 2.75Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.32Å; R128-I130 VanDerWaalsContact C-N 3.34Å; R128-C131 WeakPolarHBondContact O-CB 3.33Å; R128-C131 PolarHBondContact O-N 2.88Å; R128-Y132 WeakPolarHBondContact CD-OH 3.49Å; R128-Y132 HydrophobicContact CG-CD2 4.42Å; R128-Y132 HydrophobicContact CG-CE1 3.99Å; R128-Y132 HydrophobicContact CG-CE2 3.83Å; R128-Y132 PolarHBondContact O-N 3.15Å
129V94.6Very high92.6Very high4 Ų484 Ų842%0.02439%0.393CS..Hα-helixtrans-68-37179.61790000111.2T46 L49 L50 R126 R127 C131 Y132 I133T46-V129 HydrophobicContact CG2-CG2 3.97Å; L49-V129 HydrophobicContact CB-CG1 4.01Å; L50-V129 HydrophobicContact CD2-CG1 3.75Å; L50-V129 HydrophobicContact CG-CG1 3.92Å; R126-V129 PolarHBondContact O-N 3.02Å; R126-V129 VanDerWaalsContact O-N 3.13Å; R127-V129 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 3.13Å; V129-C131 VanDerWaalsContact C-N 3.35Å; V129-Y132 PolarHBondContact O-N 3.07Å; V129-I133 HydrophobicContact CG1-CD1 4.06Å; V129-I133 WeakPolarHBondContact O-CG1 3.2Å; V129-I133 PolarHBondContact O-N 2.87Å
130I95.5Very high92.9Very high74 Ų7478.3 Ų78.338%0.37937%0.371SS..Hα-helixtrans-62.7-43.1173.3-63.9166.8000110.1R126 R127 R128 Y132 I133 L134R126-I130 HydrophobicContact CG-CD1 4.11Å; R126-I130 PolarHBondContact O-N 3.37Å; R126-I130 VanDerWaalsContact O-N 3.13Å; R127-I130 WeakPolarHBondContact O-CB 3.33Å; R127-I130 PolarHBondContact O-N 3.45Å; R127-I130 VanDerWaalsContact O-N 3.16Å; R128-I130 VanDerWaalsContact C-N 3.34Å; I130-Y132 VanDerWaalsContact C-N 3.33Å; I130-Y132 PolarHBondContact O-N 2.83Å; I130-I133 PolarHBondContact O-N 2.56Å; I130-L134 HydrophobicContact CG2-CD1 4.04Å; I130-L134 HydrophobicContact CG2-CG 4.38Å; I130-L134 WeakPolarHBondContact O-CG 3.5Å; I130-L134 PolarHBondContact O-N 2.97Å
131C96.6Very high93.2Very high77 Ų7777.8 Ų77.852%0.5238%0.375SS..Hα-helixtrans-61.2-38.3173.9-57.50000112.9R127 R128 V129 F135R127-C131 PolarHBondContact O-N 3.13Å; R127-C131 PolarHBondContact O-SG 2.68Å; R128-C131 WeakPolarHBondContact O-CB 3.33Å; R128-C131 PolarHBondContact O-N 2.88Å; V129-C131 VanDerWaalsContact C-N 3.35Å; C131-F135 WeakPolarHBondContact O-CB 3.49Å; C131-F135 PolarHBondContact O-N 3.2Å
132Y96.9Very high93.6Very high51 Ų5172.3 Ų72.320%0.236%0.361CS..Hα-helixtrans-64.8-41.5173.8-64.7-17.8000112.3T105 R128 V129 I130 F135 V136T105-Y132 HydrophobicContact CG2-CD2 4.17Å; T105-Y132 HydrophobicContact CG2-CG 4.23Å; R128-Y132 WeakPolarHBondContact CD-OH 3.49Å; R128-Y132 HydrophobicContact CG-CD2 4.42Å; R128-Y132 HydrophobicContact CG-CE1 3.99Å; R128-Y132 HydrophobicContact CG-CE2 3.83Å; R128-Y132 PolarHBondContact O-N 3.15Å; V129-Y132 PolarHBondContact O-N 3.07Å; I130-Y132 VanDerWaalsContact C-N 3.33Å; I130-Y132 PolarHBondContact O-N 2.83Å; Y132-F135 PolarHBondContact O-N 3.42Å; Y132-V136 WeakPolarHBondContact O-CG2 3.35Å; Y132-V136 PolarHBondContact O-N 2.78Å
133I97.8Very high94Very high33 Ų3369.4 Ų69.417%0.16933%0.328CS..Hα-helixtrans-63-48.9176.5-74.1167.9000110.8L50 N53 V129 I130 F135 V136 W137L50-I133 HydrophobicContact CD2-CG1 4.15Å; N53-I133 HydrophobicContact CB-CD1 4.13Å; N53-I133 HydrophobicContact CB-CG1 3.99Å; N53-I133 WeakPolarHBondContact OD1-CG2 3.3Å; V129-I133 HydrophobicContact CG1-CD1 4.06Å; V129-I133 WeakPolarHBondContact O-CG1 3.2Å; V129-I133 PolarHBondContact O-N 2.87Å; I130-I133 PolarHBondContact O-N 2.56Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.02Å; I133-V136 WeakPolarHBondContact O-CB 3.28Å; I133-V136 PolarHBondContact O-N 2.77Å; I133-V136 VanDerWaalsContact O-N 3.16Å; I133-W137 PolarHBondContact O-N 3.16Å; I133-W137 VanDerWaalsContact O-N 3.12Å
134L97.7Very high94.2Very high98 Ų9866.7 Ų66.751%0.51331%0.314SS..Hα-helixtrans-59.9-41177-68.3171.4000111.7I130 V136 W137 I138I130-L134 HydrophobicContact CG2-CD1 4.04Å; I130-L134 HydrophobicContact CG2-CG 4.38Å; I130-L134 WeakPolarHBondContact O-CG 3.5Å; I130-L134 PolarHBondContact O-N 2.97Å; L134-V136 PolarHBondContact O-N 2.84Å; L134-W137 PolarHBondContact O-N 3.39Å; L134-I138 WeakPolarHBondContact O-CB 3.44Å; L134-I138 WeakPolarHBondContact O-CD1 3.2Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.21Å; L134-I138 PolarHBondContact O-N 2.86Å
135F97.4Very high94.6Very high118 Ų11865.1 Ų65.152%0.51831%0.311SS..Hα-helixtrans-59.5-43.8174.2173.1-97.1000112.5C131 Y132 I133 L139C131-F135 WeakPolarHBondContact O-CB 3.49Å; C131-F135 PolarHBondContact O-N 3.2Å; Y132-F135 PolarHBondContact O-N 3.42Å; I133-F135 VanDerWaalsContact C-N 3.3Å; I133-F135 PolarHBondContact O-N 3.02Å; F135-L139 HydrophobicContact CE1-CD2 3.8Å; F135-L139 HydrophobicContact CZ-CD2 3.7Å; F135-L139 WeakPolarHBondContact O-CB 3.22Å; F135-L139 PolarHBondContact O-N 2.8Å
136V98.1Very high94.5Very high1 Ų162.3 Ų62.31%0.00630%0.297CS..Hα-helixtrans-59.2-49.1176.1166.90000111.3A98 W101 T105 Y132 I133 L134 S140A98-V136 HydrophobicContact CB-CG1 4.47Å; A98-V136 WeakPolarHBondContact O-CG1 3.16Å; W101-V136 HydrophobicContact CB-CB 4.48Å; W101-V136 HydrophobicContact CB-CG1 3.94Å; W101-V136 HydrophobicContact CB-CG2 4.18Å; T105-V136 WeakPolarHBondContact OG1-CG2 3.39Å; Y132-V136 WeakPolarHBondContact O-CG2 3.35Å; Y132-V136 PolarHBondContact O-N 2.78Å; I133-V136 WeakPolarHBondContact O-CB 3.28Å; I133-V136 PolarHBondContact O-N 2.77Å; I133-V136 VanDerWaalsContact O-N 3.16Å; L134-V136 PolarHBondContact O-N 2.84Å; V136-S140 VanDerWaalsContact O-CB 3.32Å; V136-S140 WeakPolarHBondContact O-CB 3.24Å; V136-S140 PolarHBondContact O-N 2.89Å; V136-S140 PolarHBondContact O-OG 3.31Å
137W98.3Very high93.9Very high50 Ų5054.8 Ų54.819%0.18927%0.271CS..Hα-helixtrans-66.8-43-178.6-73107.7000112.5N53 L60 F94 Y95 A98 I133 L134 S140 G141N53-W137 PolarHBondContact OD1-NE1 2.82Å; L60-W137 HydrophobicContact CD1-CH2 4.02Å; F94-W137 HydrophobicContact CE1-CE3 4.03Å; F94-W137 AromaticContact CE1-CZ3 3.82Å; F94-W137 HydrophobicContact CE1-CZ3 3.82Å; F94-W137 HydrophobicContact CE2-CE3 4.2Å; F94-W137 AromaticContact CZ-CE3 3.58Å; F94-W137 HydrophobicContact CZ-CE3 3.58Å; F94-W137 AromaticContact CZ-CZ3 3.87Å; F94-W137 HydrophobicContact CZ-CZ3 3.87Å; Y95-W137 HydrophobicContact CD1-CH2 4.12Å; Y95-W137 AromaticContact CD1-CZ3 3.85Å; Y95-W137 HydrophobicContact CD1-CZ3 3.85Å; Y95-W137 HydrophobicContact CE1-CH2 4.27Å; Y95-W137 AromaticContact CE1-CZ3 3.97Å; Y95-W137 HydrophobicContact CE1-CZ3 3.97Å; A98-W137 HydrophobicContact CB-CE3 3.99Å; A98-W137 HydrophobicContact CB-CH2 4.11Å; A98-W137 HydrophobicContact CB-CZ3 3.79Å; I133-W137 PolarHBondContact O-N 3.16Å; I133-W137 VanDerWaalsContact O-N 3.12Å; L134-W137 PolarHBondContact O-N 3.39Å; W137-S140 PolarHBondContact O-N 3.03Å; W137-G141 PolarHBondContact O-N 2.88Å
138I97.6Very high93.3Very high109 Ų10950.7 Ų50.756%0.55926%0.263SS*.Hα-helixtrans-63.6-47.9176.9-68165.3000110.8L134 S140 G141 L142L134-I138 WeakPolarHBondContact O-CB 3.44Å; L134-I138 WeakPolarHBondContact O-CD1 3.2Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.21Å; L134-I138 PolarHBondContact O-N 2.86Å; I138-S140 VanDerWaalsContact C-N 3.34Å; I138-S140 PolarHBondContact O-N 3.03Å; I138-G141 PolarHBondContact O-N 3.44Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.43Å; I138-L142 WeakPolarHBondContact O-CG 3.45Å; I138-L142 PolarHBondContact O-N 3.36Å
139L96.5Very high92.8Very high37 Ų3755 Ų5519%0.19429%0.29CS..Hα-helixtrans-62.6-41179.3179.358.4000111.9W101 F135 G141 L142 I143W101-L139 HydrophobicContact CD2-CD2 3.58Å; W101-L139 HydrophobicContact CD2-CG 4.45Å; W101-L139 HydrophobicContact CE3-CD2 3.7Å; W101-L139 HydrophobicContact CG-CD2 4.24Å; W101-L139 HydrophobicContact CH2-CD2 3.87Å; W101-L139 HydrophobicContact CZ2-CD2 3.75Å; W101-L139 HydrophobicContact CZ3-CD2 3.84Å; F135-L139 HydrophobicContact CE1-CD2 3.8Å; F135-L139 HydrophobicContact CZ-CD2 3.7Å; F135-L139 WeakPolarHBondContact O-CB 3.22Å; F135-L139 PolarHBondContact O-N 2.8Å; L139-G141 VanDerWaalsContact C-N 3.34Å; L139-L142 PolarHBondContact O-N 3.44Å; L139-I143 HydrophobicContact CD1-CD1 4.04Å; L139-I143 HydrophobicContact CD1-CG1 4.41Å; L139-I143 HydrophobicContact CG-CD1 3.98Å; L139-I143 WeakPolarHBondContact O-CD1 3.26Å; L139-I143 VanDerWaalsContact O-CG1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.47Å; L139-I143 PolarHBondContact O-N 3.33Å; L139-I143 VanDerWaalsContact O-N 3.08Å
140S97Very high91.8Very high0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-64.3-40.4176.9-53.60000111.4A98 V136 W137 I138 I143 C144A98-S140 VanDerWaalsContact CA-OG 3.27Å; A98-S140 WeakPolarHBondContact CA-OG 3.35Å; A98-S140 PolarHBondContact N-OG 3.46Å; V136-S140 VanDerWaalsContact O-CB 3.32Å; V136-S140 WeakPolarHBondContact O-CB 3.24Å; V136-S140 PolarHBondContact O-N 2.89Å; V136-S140 PolarHBondContact O-OG 3.31Å; W137-S140 PolarHBondContact O-N 3.03Å; I138-S140 VanDerWaalsContact C-N 3.34Å; I138-S140 PolarHBondContact O-N 3.03Å; S140-I143 PolarHBondContact O-N 3.46Å; S140-C144 PolarHBondContact O-N 3.15Å; S140-C144 PolarHBondContact O-SG 3.22Å
141G95Very high90.7Very high20 Ų2060.5 Ų60.521%0.20632%0.316CS..Hα-helixtrans-61.1-50.8174.300000111.7W137 I138 L139 I143 C144 L145W137-G141 PolarHBondContact O-N 2.88Å; I138-G141 PolarHBondContact O-N 3.44Å; L139-G141 VanDerWaalsContact C-N 3.34Å; G141-I143 PolarHBondContact O-N 3.35Å; G141-C144 PolarHBondContact O-N 3.38Å; G141-L145 WeakPolarHBondContact O-CG 3.26Å; G141-L145 PolarHBondContact O-N 3.21Å
142L94.1Very high89.3Confident98 Ų9856.8 Ų56.851%0.51329%0.292SS..Hα-helixtrans-57.5-33.9178.8-70.7171.1000113.5I138 L139 C144 L145I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.43Å; I138-L142 WeakPolarHBondContact O-CG 3.45Å; I138-L142 PolarHBondContact O-N 3.36Å; L139-L142 PolarHBondContact O-N 3.44Å; L142-C144 VanDerWaalsContact C-N 3.33Å; L142-L145 HydrophobicContact CD2-CD1 4.08Å
143I92.8Very high87.7Confident12 Ų1256.3 Ų56.36%0.06230%0.296CS..Hα-helixtrans-71.1-27.8175.5-69.6162.4000111.9T97 L139 S140 G141 Y217T97-I143 HydrophobicContact CG2-CB 4.38Å; T97-I143 HydrophobicContact CG2-CD1 3.92Å; T97-I143 HydrophobicContact CG2-CG2 4.29Å; L139-I143 HydrophobicContact CD1-CD1 4.04Å; L139-I143 HydrophobicContact CD1-CG1 4.41Å; L139-I143 HydrophobicContact CG-CD1 3.98Å; L139-I143 WeakPolarHBondContact O-CD1 3.26Å; L139-I143 VanDerWaalsContact O-CG1 3.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.47Å; L139-I143 PolarHBondContact O-N 3.33Å; L139-I143 VanDerWaalsContact O-N 3.08Å; S140-I143 PolarHBondContact O-N 3.46Å; G141-I143 PolarHBondContact O-N 3.35Å; I143-Y217 WeakPolarHBondContact O-CE1 3.24Å
144C90.7Very high85.7Confident7 Ų759.2 Ų59.25%0.04731%0.307CS..Hα-helixtrans-92-23.8-177.8-57.80000113.7F94 S140 G141 L142 P146 G147 L148F94-C144 WeakPolarHBondContact CA-SG 3.35Å; S140-C144 PolarHBondContact O-N 3.15Å; S140-C144 PolarHBondContact O-SG 3.22Å; G141-C144 PolarHBondContact O-N 3.38Å; L142-C144 VanDerWaalsContact C-N 3.33Å; C144-P146 VanDerWaalsContact C-CD 3.42Å; C144-P146 VanDerWaalsContact C-N 3.33Å; C144-G147 PolarHBondContact O-N 2.99Å; C144-G147 VanDerWaalsContact O-N 3.16Å; C144-L148 PolarHBondContact O-N 2.9Å
145L87.8Confident83.4Confident83 Ų8362.9 Ų62.944%0.43532%0.322SS..Hα-helixtrans-50.1-41.1-178.3-73.4-178.2000114.6G141 L142 G147 L148 L149G141-L145 WeakPolarHBondContact O-CG 3.26Å; G141-L145 PolarHBondContact O-N 3.21Å; L142-L145 HydrophobicContact CD2-CD1 4.08Å; L145-G147 VanDerWaalsContact C-N 3.31Å; L145-G147 PolarHBondContact O-N 2.59Å; L145-L148 PolarHBondContact O-N 2.98Å; L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3.17Å
146P84.5Confident81Confident18 Ų1865 Ų6512%0.11733%0.331CS..Hα-helixtrans-57.8-40-179.8-29.939.8000114C144 L149 G150 W151 Y214 Y217C144-P146 VanDerWaalsContact C-CD 3.42Å; C144-P146 VanDerWaalsContact C-N 3.33Å; P146-L149 CarbonylContact O-C 3.43Å; P146-L149 PolarHBondContact O-N 2.95Å; P146-G150 PolarHBondContact O-N 2.84Å; P146-W151 CarbonylContact C-O 3.58Å; P146-W151 HydrophobicContact CB-CB 4.46Å; P146-W151 HydrophobicContact CB-CE3 3.96Å; P146-W151 WeakPolarHBondContact O-CB 3.37Å; P146-W151 PolarHBondContact O-N 2.74Å; P146-Y214 HydrophobicContact CB-CE2 4.18Å; P146-Y217 HydrophobicContact CB-CE1 4.32Å; P146-Y217 HydrophobicContact CG-CE1 3.78Å
147G78.3Confident78.2Confident8 Ų870.8 Ų70.88%0.08236%0.362CS..Hα-helixtrans-67.3-38.9178.200000112.5C144 L145 L149 G150 W151C144-G147 PolarHBondContact O-N 2.99Å; C144-G147 VanDerWaalsContact O-N 3.16Å; L145-G147 VanDerWaalsContact C-N 3.31Å; L145-G147 PolarHBondContact O-N 2.59Å; G147-L149 VanDerWaalsContact C-N 3.3Å; G147-L149 PolarHBondContact O-N 2.94Å; G147-G150 WeakPolarHBondContact O-CA 3.49Å; G147-G150 PolarHBondContact O-N 3.35Å; G147-W151 WeakPolarHBondContact CA-O 3.43Å
148L79.9Confident75.1Confident109 Ų10978.3 Ų78.357%0.57139%0.39SS*.Hα-helixtrans-69.3-27.1175.4-174.262.9000112.8T90 C144 L145 G150T90-L148 HydrophobicContact CG2-CB 4.26Å; T90-L148 HydrophobicContact CG2-CD1 4.46Å; C144-L148 PolarHBondContact O-N 2.9Å; L145-L148 PolarHBondContact O-N 2.98Å; L148-G150 PolarHBondContact O-N 2.77Å
149L82.6Confident72.3Confident149 Ų14978.1 Ų78.178%0.7839%0.394SS*.THydrogen-bonded Turntrans-81.17.4169.8-64.6172.5000112.8L145 P146 G147 W151L145-L149 WeakPolarHBondContact O-CG 3.39Å; L145-L149 PolarHBondContact O-N 3.17Å; P146-L149 CarbonylContact O-C 3.43Å; P146-L149 PolarHBondContact O-N 2.95Å; G147-L149 VanDerWaalsContact C-N 3.3Å; G147-L149 PolarHBondContact O-N 2.94Å; L149-W151 VanDerWaalsContact C-N 3.29Å; L149-W151 PolarHBondContact O-N 3.18Å
150G73Confident69.6Low36 Ų3683.1 Ų83.137%0.37142%0.417SS..THydrogen-bonded Turntrans82.1-9.6179.200000115.1P146 G147 L148 G152 S153P146-G150 PolarHBondContact O-N 2.84Å; G147-G150 WeakPolarHBondContact O-CA 3.49Å; G147-G150 PolarHBondContact O-N 3.35Å; L148-G150 PolarHBondContact O-N 2.77Å; G150-G152 PolarHBondContact O-N 3.46Å; G150-S153 VanDerWaalsContact O-CB 3.26Å; G150-S153 WeakPolarHBondContact O-CB 3.35Å; G150-S153 PolarHBondContact O-N 2.92Å; G150-S153 PolarHBondContact O-OG 3.45Å
151W72.9Confident66.7Low156 Ų15686.8 Ų86.859%0.59144%0.442SS*.THydrogen-bonded Turntrans-69.6116.8177.8-172.225000109.6P146 G147 L149 Y214P146-W151 CarbonylContact C-O 3.58Å; P146-W151 HydrophobicContact CB-CB 4.46Å; P146-W151 HydrophobicContact CB-CE3 3.96Å; P146-W151 WeakPolarHBondContact O-CB 3.37Å; P146-W151 PolarHBondContact O-N 2.74Å; G147-W151 WeakPolarHBondContact CA-O 3.43Å; L149-W151 VanDerWaalsContact C-N 3.29Å; L149-W151 PolarHBondContact O-N 3.18Å; W151-Y214 WeakPolarHBondContact O-CD2 3.17Å; W151-Y214 WeakPolarHBondContact O-CE2 3.45Å
152G66.7Low63.9Low0 Ų092 Ų920%047%0.465CS..THydrogen-bonded Turntrans132.2-17.1-159.200000112.1G150 T210 E211G150-G152 PolarHBondContact O-N 3.46Å; G152-T210 PolarHBondContact O-N 3.16Å; G152-E211 PolarHBondContact O-N 2.98Å
153S63.9Low61.1Low41 Ų4191.2 Ų91.229%0.28747%0.473SS..  trans-72.9127.8172.459.40000114.8G150 Q155 N193 E211G150-S153 VanDerWaalsContact O-CB 3.26Å; G150-S153 WeakPolarHBondContact O-CB 3.35Å; G150-S153 PolarHBondContact O-N 2.92Å; G150-S153 PolarHBondContact O-OG 3.45Å; S153-Q155 PolarHBondContact O-N 2.9Å; S153-N193 VanDerWaalsContact CB-CB 3.47Å; S153-N193 WeakPolarHBondContact CB-ND2 3.39Å; S153-E211 VanDerWaalsContact C-CG 3.5Å; S153-E211 VanDerWaalsContact O-CG 3.26Å; S153-E211 WeakPolarHBondContact O-CG 3.09Å
154K54.2Low58.4Low94 Ų9494.7 Ų94.741%0.40950%0.499SS..  trans-78.5111.5158.3-91.7176.8173.2150.20110.2F156 N193 T210 E211K154-F156 PolarHBondContact O-N 3.2Å; K154-N193 PolarHBondContact O-OD1 3.2Å; K154-T210 VanDerWaalsContact CE-O 3.24Å; K154-T210 WeakPolarHBondContact CE-O 3.33Å; K154-T210 PolarHBondContact NZ-O 3.34Å; K154-E211 HydrophobicContact CG-CG 4.1Å; K154-E211 WeakPolarHBondContact CG-OE1 3.48Å
155Q49.4Very low56Low175 Ų175100.2 Ų100.282%0.81853%0.532SS*.  trans-68.8111.2172.6-169.9168.716.600108.9S153 D157S153-Q155 PolarHBondContact O-N 2.9Å; Q155-D157 PolarHBondContact O-N 2.94Å; Q155-D157 VanDerWaalsContact O-N 3.07Å
156F47.4Very low53.7Low162 Ų162102.8 Ų102.871%0.71155%0.545SS*.  trans-71.9105-175.8-160.6-76.4000110.7K154 R158K154-F156 PolarHBondContact O-N 3.2Å; F156-R158 PolarHBondContact O-N 2.97Å
157D39.1Very low51.3Low122 Ų122107.1 Ų107.165%0.65258%0.575SS**  trans-59.5120.6177.3-94-37.4000111.2Q155 T159Q155-D157 PolarHBondContact O-N 2.94Å; Q155-D157 VanDerWaalsContact O-N 3.07Å; D157-T159 PolarHBondContact O-N 3.41Å
158R34Very low49.5Very low208 Ų208112.1 Ų112.179%0.78560%0.599SS**THydrogen-bonded Turntrans-68.36.1-179.7-62.2-173.3-176.9-178.92.1114F156 S161F156-R158 PolarHBondContact O-N 2.97Å; R158-S161 PolarHBondContact O-OG 3.28Å; R158-S161 VanDerWaalsContact O-OG 3.12Å
159T38.8Very low47.4Very low106 Ų106111.4 Ų111.465%0.6560%0.601SS**THydrogen-bonded Turntrans-77-30-17652.60000112.6D157D157-T159 PolarHBondContact O-N 3.41Å
160Q39.2Very low45.4Very low142 Ų142115.3 Ų115.366%0.66461%0.607SS**G310 helixtrans-82-21.2-175.4-161.5165.165.800114.2N162 A163Q160-N162 PolarHBondContact O-N 3.24Å; Q160-A163 PolarHBondContact O-N 3Å; Q160-A163 VanDerWaalsContact O-N 3.13Å
161S37.4Very low43.7Very low76 Ų76117.1 Ų117.153%0.53161%0.614SS.*G310 helixtrans-66.6-16.3175.455.50000114R158R158-S161 PolarHBondContact O-OG 3.28Å; R158-S161 VanDerWaalsContact O-OG 3.12Å
162N35.3Very low42.6Very low129 Ų129113.5 Ų113.569%0.6961%0.609SS**G310 helixtrans-91-11.5177.1-65.8-2.1000112.7Q160Q160-N162 PolarHBondContact O-N 3.24Å
163A35.9Very low42Very low82 Ų82119 Ų11968%0.67865%0.645SS**THydrogen-bonded Turntrans-84.4-16.6-17900000113.5Q160 T165Q160-A163 PolarHBondContact O-N 3Å; Q160-A163 VanDerWaalsContact O-N 3.13Å; A163-T165 VanDerWaalsContact C-N 3.34Å; A163-T165 PolarHBondContact O-N 3.48Å
164S35.7Very low41.5Very low86 Ų86122.1 Ų122.160%0.60166%0.663SS**  trans-94.946.8179.5480000113I166S164-I166 VanDerWaalsContact C-N 3.27Å; S164-I166 PolarHBondContact O-N 2.9Å
165T39.7Very low41.4Very low122 Ų122121.7 Ų121.775%0.74866%0.664SS**  trans-70.689.4161.5-610000108.1A163 S167A163-T165 VanDerWaalsContact C-N 3.34Å; A163-T165 PolarHBondContact O-N 3.48Å; T165-S167 PolarHBondContact O-N 2.88Å
166I40.7Very low41.2Very low138 Ų138119.4 Ų119.471%0.70865%0.653SS**  trans-61.9109.4175.6-56.4177.5000107.8S164 I168S164-I166 VanDerWaalsContact C-N 3.27Å; S164-I166 PolarHBondContact O-N 2.9Å; I166-I168 VanDerWaalsContact C-N 3.3Å; I166-I168 HydrophobicContact CB-CG1 4.48Å; I166-I168 HydrophobicContact CG2-CG1 3.78Å; I166-I168 PolarHBondContact O-N 2.91Å
167S32.4Very low41.3Very low108 Ų108119 Ų11976%0.75565%0.653SS**  trans-70.487170.638.60000109.2T165 P169T165-S167 PolarHBondContact O-N 2.88Å; S167-P169 WeakPolarHBondContact O-CD 3.5Å
168I41Very low41.7Very low114 Ų114118.8 Ų118.859%0.58565%0.652SS**  trans-82.5101.6167.9-55.6178.4000107.5I166I166-I168 VanDerWaalsContact C-N 3.3Å; I166-I168 HydrophobicContact CB-CG1 4.48Å; I166-I168 HydrophobicContact CG2-CG1 3.78Å; I166-I168 PolarHBondContact O-N 2.91Å
169P36.1Very low42.3Very low94 Ų94113.6 Ų113.661%0.6164%0.639SS**SBendtrans-65.8146.516332.8-36.2000108.6S167S167-P169 WeakPolarHBondContact O-CD 3.5Å
170Y41.9Very low42.6Very low230 Ų230113 Ų11390%0.90263%0.632SS**SBendtrans64.970.8177.7-43.6-75.1000115.8
171S37.1Very low42.5Very low74 Ų74108.3 Ų108.352%0.51762%0.622SS.*  trans-142.7150.9151.149.20000111
172T49.1Very low42.7Very low81 Ų81110.5 Ų110.550%0.49763%0.627SS.*  trans-79149.9-16742.50000113.2T174 I175T172-T174 PolarHBondContact O-N 2.98Å; T172-I175 PolarHBondContact O-N 2.93Å
173P53.6Low43.1Very low115 Ų115111.5 Ų111.575%0.74763%0.625SS**Hα-helixtrans-61.1-21.1-171.622.8-34.4000114.5I175P173-I175 PolarHBondContact O-N 3.23Å
174T53.7Low43.2Very low107 Ų107111.9 Ų111.966%0.65662%0.623SS**Hα-helixtrans-69-24.5175.626.90000114.5T172T172-T174 PolarHBondContact O-N 2.98Å
175I51.2Low43Very low85 Ų85114.3 Ų114.344%0.43663%0.629SS.*Hα-helixtrans-79.9-35-178-60.3178.5000111.1T172 P173 H177 N178 L179T172-I175 PolarHBondContact O-N 2.93Å; P173-I175 PolarHBondContact O-N 3.23Å; I175-H177 VanDerWaalsContact C-N 3.29Å; I175-H177 PolarHBondContact O-N 3.39Å; I175-N178 PolarHBondContact O-N 3.47Å; I175-L179 HydrophobicContact CG2-CD1 3.99Å; I175-L179 HydrophobicContact CG2-CG 4.4Å; I175-L179 PolarHBondContact O-N 3.46Å; I175-L179 VanDerWaalsContact O-N 3.13Å
176Q46.9Very low42.9Very low127 Ų127116.5 Ų116.559%0.59363%0.631SS**Hα-helixtrans-67-28.9-173.4-161.6161-12.500113N180Q176-N180 PolarHBondContact O-N 2.9Å; Q176-N180 PolarHBondContact O-ND2 2.93Å
177H49.2Very low42.6Very low153 Ų153114.6 Ų114.671%0.70863%0.63SS**Hα-helixtrans-70.4-37.1175.4-152.8-78.7000112.6I175 N180 G181I175-H177 VanDerWaalsContact C-N 3.29Å; I175-H177 PolarHBondContact O-N 3.39Å; H177-N180 PolarHBondContact O-N 3.49Å; H177-G181 PolarHBondContact O-N 2.88Å
178N46.8Very low42.7Very low117 Ų117115.2 Ų115.263%0.62663%0.629SS**Hα-helixtrans-75.2-34177.8-72.8-17.9000112.4I175 N180 G181 L182I175-N178 PolarHBondContact O-N 3.47Å; N178-N180 VanDerWaalsContact C-N 3.29Å; N178-N180 PolarHBondContact O-N 2.9Å; N178-G181 PolarHBondContact O-N 3.48Å; N178-L182 PolarHBondContact O-N 3.29Å; N178-L182 VanDerWaalsContact O-N 3.09Å
179L46.9Very low42.7Very low100 Ų100114.4 Ų114.452%0.52462%0.622SS.*Hα-helixtrans-62.7-35.3171.4-77.3168.2000112.4I175 L182 K183I175-L179 HydrophobicContact CG2-CD1 3.99Å; I175-L179 HydrophobicContact CG2-CG 4.4Å; I175-L179 PolarHBondContact O-N 3.46Å; I175-L179 VanDerWaalsContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-K183 PolarHBondContact O-N 3.09Å
180N44.4Very low42.6Very low94 Ų94114.4 Ų114.450%0.50362%0.624SS.*Hα-helixtrans-70.7-35.7174.9-70.9-16.3000112.4Q176 H177 N178 L182 K183Q176-N180 PolarHBondContact O-N 2.9Å; Q176-N180 PolarHBondContact O-ND2 2.93Å; H177-N180 PolarHBondContact O-N 3.49Å; N178-N180 VanDerWaalsContact C-N 3.29Å; N178-N180 PolarHBondContact O-N 2.9Å; N180-L182 VanDerWaalsContact C-N 3.32Å; N180-L182 PolarHBondContact O-N 3.12Å; N180-K183 PolarHBondContact O-N 3.17Å
181G38.5Very low42.7Very low43 Ų43105.9 Ų105.944%0.44360%0.597SS.*Hα-helixtrans-69.2-23.7173.100000114.9H177 N178 S184H177-G181 PolarHBondContact O-N 2.88Å; N178-G181 PolarHBondContact O-N 3.48Å; G181-S184 PolarHBondContact O-OG 3.15Å
182L41Very low43.3Very low121 Ų121105.9 Ų105.963%0.63460%0.595SS**Hα-helixtrans-79.9-31.3171.8-78.8163.3000112.6N178 L179 N180 S184 N185N178-L182 PolarHBondContact O-N 3.29Å; N178-L182 VanDerWaalsContact O-N 3.09Å; L179-L182 PolarHBondContact O-N 2.89Å; N180-L182 VanDerWaalsContact C-N 3.32Å; N180-L182 PolarHBondContact O-N 3.12Å; L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 2.83Å; L182-N185 PolarHBondContact O-N 3.35Å
183K42.9Very low43.9Very low151 Ų151104.9 Ų104.966%0.65759%0.586SS**Hα-helixtrans-63.9-27.7176.1-79179.6174.7-178.10113.6L179 N180 N185L179-K183 PolarHBondContact O-N 3.09Å; N180-K183 PolarHBondContact O-N 3.17Å; K183-N185 VanDerWaalsContact C-N 3.29Å; K183-N185 PolarHBondContact O-N 3.49Å
184S37.5Very low44.7Very low90 Ų9099.9 Ų99.963%0.62955%0.553SS**THydrogen-bonded Turntrans-73.5-14.6176.2420000114.8G181 L182G181-S184 PolarHBondContact O-OG 3.15Å; L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 2.83Å
185N33.2Very low45.8Very low136 Ų13695 Ų9573%0.72752%0.523SS*.THydrogen-bonded Turntrans-104.67-179.9-79-1.4000114.2L182 K183 S187L182-N185 PolarHBondContact O-N 3.35Å; K183-N185 VanDerWaalsContact C-N 3.29Å; K183-N185 PolarHBondContact O-N 3.49Å; N185-S187 PolarHBondContact O-N 3.32Å
186Q36.7Very low46.9Very low168 Ų16895.5 Ų95.579%0.78553%0.526SS*.  trans-74.383.8162.2-80.5-170.3-30.600109.4T188Q186-T188 PolarHBondContact O-N 3.33Å; Q186-T188 VanDerWaalsContact O-N 3.16Å
187S34.9Very low48.3Very low98 Ų9892.4 Ų92.469%0.68551%0.509SS*.  trans-50.8119.8171560000109.8N185 F189N185-S187 PolarHBondContact O-N 3.32Å; S187-F189 PolarHBondContact O-N 2.99Å
188T33.9Very low49.6Very low121 Ų12186.8 Ų86.874%0.74248%0.484SS*.  trans-27.493177.641.50000113.5Q186 S190Q186-T188 PolarHBondContact O-N 3.33Å; Q186-T188 VanDerWaalsContact O-N 3.16Å; T188-S190 PolarHBondContact O-N 2.87Å
189F41Very low51.1Low98 Ų9886.1 Ų86.143%0.4349%0.486SS..  trans-80.391.6-175.4-160.6-76.2000109.3S187 S191 Y197 Y204S187-F189 PolarHBondContact O-N 2.99Å; F189-S191 VanDerWaalsContact C-N 3.31Å; F189-S191 PolarHBondContact O-N 3.46Å; F189-Y197 HydrophobicContact CE1-CD1 4.39Å; F189-Y197 HydrophobicContact CE1-CD2 4.43Å; F189-Y197 AromaticContact CE1-CG 3.83Å; F189-Y197 HydrophobicContact CE1-CG 3.83Å; F189-Y197 HydrophobicContact CE2-CD1 4.11Å; F189-Y197 HydrophobicContact CE2-CD2 4.27Å; F189-Y197 HydrophobicContact CE2-CE1 4.45Å; F189-Y197 AromaticContact CE2-CG 4Å; F189-Y197 HydrophobicContact CE2-CG 4Å; F189-Y197 AromaticContact CZ-CD1 3.89Å; F189-Y197 HydrophobicContact CZ-CD1 3.89Å; F189-Y197 AromaticContact CZ-CD2 3.63Å; F189-Y197 HydrophobicContact CZ-CD2 3.63Å; F189-Y197 HydrophobicContact CZ-CE2 4.35Å; F189-Y197 AromaticContact CZ-CG 3.35Å; F189-Y197 HydrophobicContact CZ-CG 3.35Å; F189-Y204 AromaticContact CE1-CE1 3.74Å; F189-Y204 HydrophobicContact CE1-CE1 3.74Å; F189-Y204 AromaticContact CZ-CE1 3.66Å; F189-Y204 HydrophobicContact CZ-CE1 3.66Å; F189-Y204 AromaticContact CZ-CZ 3.58Å; F189-Y204 VanDerWaalsContact CZ-OH 3.27Å; F189-Y204 WeakPolarHBondContact CZ-OH 3.33Å
190S34.3Very low52.6Low94 Ų9487.6 Ų87.666%0.65750%0.499SS*.  trans-71.183.4179.7-610000111T188 T192T188-S190 PolarHBondContact O-N 2.87Å; S190-T192 VanDerWaalsContact C-N 3.26Å; S190-T192 PolarHBondContact O-N 3.05Å
191S44.9Very low53.9Low50 Ų5086.3 Ų86.335%0.3549%0.492SS..  trans-65.286.1163.7-61.10000109.4F189 N193F189-S191 VanDerWaalsContact C-N 3.31Å; F189-S191 PolarHBondContact O-N 3.46Å; S191-N193 PolarHBondContact O-N 3.01Å; S191-N193 PolarHBondContact O-OD1 2.69Å; S191-N193 VanDerWaalsContact O-OD1 3.11Å
192T49.6Very low55.8Low75 Ų7589.7 Ų89.746%0.4650%0.5SS..  trans-60.6132.9162.131.40000108.8S190 T194 H195S190-T192 VanDerWaalsContact C-N 3.26Å; S190-T192 PolarHBondContact O-N 3.05Å; T192-T194 PolarHBondContact O-N 2.92Å; T192-H195 PolarHBondContact O-CE1 3.41Å; T192-H195 VanDerWaalsContact O-CE1 3.25Å; T192-H195 PolarHBondContact O-N 2.95Å; T192-H195 VanDerWaalsContact O-N 3.08Å; T192-H195 PolarHBondContact O-ND1 3.43Å; T192-H195 PolarHBondContact OG1-CE1 2.92Å; T192-H195 PolarHBondContact OG1-NE2 3.12Å
193N60.9Low57.4Low59 Ų5987 Ų8732%0.31648%0.484SS..THydrogen-bonded Turntrans-87.515.3-138.2-48-88.3000114.4S153 K154 S191S153-N193 VanDerWaalsContact CB-CB 3.47Å; S153-N193 WeakPolarHBondContact CB-ND2 3.39Å; K154-N193 PolarHBondContact O-OD1 3.2Å; S191-N193 PolarHBondContact O-N 3.01Å; S191-N193 PolarHBondContact O-OD1 2.69Å; S191-N193 VanDerWaalsContact O-OD1 3.11Å
194T71.3Confident59Low10 Ų1082.9 Ų82.96%0.06147%0.465CS..THydrogen-bonded Turntrans-96.1-9.3169.6460000112C85 D86 L89 T192 V207 F209C85-T194 PolarHBondContact SG-O 3.4Å; D86-T194 VanDerWaalsContact OD1-CB 3.28Å; D86-T194 WeakPolarHBondContact OD1-CB 3.48Å; D86-T194 WeakPolarHBondContact OD1-CG2 3.39Å; D86-T194 PolarHBondContact OD1-OG1 3.08Å; L89-T194 HydrophobicContact CD1-CG2 4.18Å; T192-T194 PolarHBondContact O-N 2.92Å; T194-V207 CarbonylContact C-O 3.59Å; T194-V207 CarbonylContact O-C 3.54Å; T194-V207 PolarHBondContact O-N 3.39Å; T194-F209 HydrophobicContact CG2-CD1 3.95Å; T194-F209 HydrophobicContact CG2-CE1 3.63Å; T194-F209 HydrophobicContact CG2-CZ 4.24Å
195H75.1Confident60.9Low4 Ų482.1 Ų82.12%0.01945%0.451CS..EExtended strand (participates in β ladder)trans-145.5128-179.454.762.4000112.9P82 C85 T192 Y204 E205P82-H195 VanDerWaalsContact CB-CD2 3.48Å; P82-H195 WeakPolarHBondContact CB-CD2 3.47Å; P82-H195 VanDerWaalsContact CB-CE1 3.44Å; P82-H195 WeakPolarHBondContact CB-CE1 3.46Å; P82-H195 WeakPolarHBondContact CB-NE2 3.41Å; C85-H195 HydrophobicContact CB-CB 4.48Å; T192-H195 PolarHBondContact O-CE1 3.41Å; T192-H195 VanDerWaalsContact O-CE1 3.25Å; T192-H195 PolarHBondContact O-N 2.95Å; T192-H195 VanDerWaalsContact O-N 3.08Å; T192-H195 PolarHBondContact O-ND1 3.43Å; T192-H195 PolarHBondContact OG1-CE1 2.92Å; T192-H195 PolarHBondContact OG1-NE2 3.12Å; H195-Y204 AromaticContact ND1-CD1 3.57Å; H195-Y204 AromaticContact ND1-CE1 3.91Å; H195-E205 CarbonylContact C-O 3.55Å; H195-E205 WeakPolarHBondContact CA-O 3.31Å; H195-E205 WeakPolarHBondContact CB-O 3.4Å
196I75.4Confident63.4Low96 Ų9677.1 Ų77.149%0.49243%0.426SS..EExtended strand (participates in β ladder)trans-101.7127.7-177.6-58.2-179.8000108.4N198 Y204 E205 V207I196-N198 PolarHBondContact O-N 3.19Å; I196-Y204 CarbonylContact O-C 3.46Å; I196-E205 PolarHBondContact N-O 3.06Å; I196-E205 PolarHBondContact O-N 2.98Å; I196-V207 HydrophobicContact CD1-CG2 4.04Å; I196-V207 HydrophobicContact CG1-CG2 4.03Å
197Y76.2Confident65.4Low63 Ų6370.8 Ų70.825%0.24740%0.399CS..EExtended strand (participates in β ladder)trans-77.9120172.7-178.5-102.9000110.6F189 P199 N202 Y204F189-Y197 HydrophobicContact CE1-CD1 4.39Å; F189-Y197 HydrophobicContact CE1-CD2 4.43Å; F189-Y197 AromaticContact CE1-CG 3.83Å; F189-Y197 HydrophobicContact CE1-CG 3.83Å; F189-Y197 HydrophobicContact CE2-CD1 4.11Å; F189-Y197 HydrophobicContact CE2-CD2 4.27Å; F189-Y197 HydrophobicContact CE2-CE1 4.45Å; F189-Y197 AromaticContact CE2-CG 4Å; F189-Y197 HydrophobicContact CE2-CG 4Å; F189-Y197 AromaticContact CZ-CD1 3.89Å; F189-Y197 HydrophobicContact CZ-CD1 3.89Å; F189-Y197 AromaticContact CZ-CD2 3.63Å; F189-Y197 HydrophobicContact CZ-CD2 3.63Å; F189-Y197 HydrophobicContact CZ-CE2 4.35Å; F189-Y197 AromaticContact CZ-CG 3.35Å; F189-Y197 HydrophobicContact CZ-CG 3.35Å; Y197-P199 HydrophobicContact CE1-CB 4.24Å; Y197-P199 VanDerWaalsContact O-CD 3.31Å; Y197-P199 WeakPolarHBondContact O-CD 3.28Å; Y197-N202 WeakPolarHBondContact OH-CA 3.41Å; Y197-N202 VanDerWaalsContact OH-CG 3.24Å; Y197-N202 PolarHBondContact OH-OD1 3.4Å; Y197-N202 VanDerWaalsContact OH-OD1 3.1Å; Y197-Y204 HydrophobicContact CD2-CD1 4.4Å; Y197-Y204 HydrophobicContact CD2-CD2 4.19Å; Y197-Y204 HydrophobicContact CD2-CE1 4.41Å; Y197-Y204 HydrophobicContact CD2-CE2 4.19Å; Y197-Y204 HydrophobicContact CD2-CG 4.3Å
198N76.5Confident67.5Low34 Ų3468.7 Ų68.718%0.18238%0.38CS..EExtended strand (participates in β ladder)trans-89.9108.8174.4-176.5-30.4000109.2I196 V200 L201 N202 H203 E205I196-N198 PolarHBondContact O-N 3.19Å; N198-V200 PolarHBondContact O-N 3.29Å; N198-V200 WeakPolarHBondContact OD1-CA 3.45Å; N198-V200 WeakPolarHBondContact OD1-CB 3.41Å; N198-V200 PolarHBondContact OD1-N 3.45Å; N198-L201 HydrophobicContact CB-CB 4.31Å; N198-L201 PolarHBondContact O-N 2.89Å; N198-L201 PolarHBondContact OD1-N 3.24Å; N198-L201 VanDerWaalsContact OD1-N 3.15Å; N198-N202 PolarHBondContact O-N 2.99Å; N198-H203 PolarHBondContact N-O 3.08Å; N198-H203 PolarHBondContact O-N 3.03Å; N198-E205 HydrophobicContact CB-CG 4.25Å; N198-E205 WeakPolarHBondContact CB-OE1 3.31Å; N198-E205 PolarHBondContact ND2-OE1 3.44Å
199P77.9Confident69.5Low103 Ų10363.1 Ų63.167%0.66935%0.346SS*.THydrogen-bonded Turntrans-71.9-16.4-177.731.1-36.5000113.5Y197Y197-P199 HydrophobicContact CE1-CB 4.24Å; Y197-P199 VanDerWaalsContact O-CD 3.31Å; Y197-P199 WeakPolarHBondContact O-CD 3.28Å
200V77.6Confident71Confident131 Ų13159.8 Ų59.879%0.79433%0.333SS*.THydrogen-bonded Turntrans-79.1-38.7176.5-172.70000110.6N198N198-V200 PolarHBondContact O-N 3.29Å; N198-V200 WeakPolarHBondContact OD1-CA 3.45Å; N198-V200 WeakPolarHBondContact OD1-CB 3.41Å; N198-V200 PolarHBondContact OD1-N 3.45Å
201L72.7Confident73.2Confident67 Ų6757.7 Ų57.735%0.35131%0.313SS..THydrogen-bonded Turntrans-90.8-12.7178.6-62.3179.6000113.5I77 N198 H203I77-L201 HydrophobicContact CG2-CD1 3.99Å; N198-L201 HydrophobicContact CB-CB 4.31Å; N198-L201 PolarHBondContact O-N 2.89Å; N198-L201 PolarHBondContact OD1-N 3.24Å; N198-L201 VanDerWaalsContact OD1-N 3.15Å; L201-H203 PolarHBondContact O-N 3.33Å; L201-H203 PolarHBondContact O-ND1 2.97Å
202N77.4Confident75Confident115 Ų11556.9 Ų56.962%0.61531%0.309SS*.THydrogen-bonded Turntrans5538.4-174-160.2103.1000112.4Y197 N198Y197-N202 WeakPolarHBondContact OH-CA 3.41Å; Y197-N202 VanDerWaalsContact OH-CG 3.24Å; Y197-N202 PolarHBondContact OH-OD1 3.4Å; Y197-N202 VanDerWaalsContact OH-OD1 3.1Å; N198-N202 PolarHBondContact O-N 2.99Å
203H75.6Confident76.8Confident63 Ų6362.2 Ų62.229%0.29232%0.322SS..EExtended strand (participates in β ladder)trans-139.1158.1-179.2-76.578.3000110.1N198 L201N198-H203 PolarHBondContact N-O 3.08Å; N198-H203 PolarHBondContact O-N 3.03Å; L201-H203 PolarHBondContact O-N 3.33Å; L201-H203 PolarHBondContact O-ND1 2.97Å
204Y76.2Confident78.1Confident66 Ų6659.7 Ų59.726%0.25931%0.308SS..EExtended strand (participates in β ladder)trans-80.6142164.5-65.1-96.5000109.5W78 P82 F189 H195 I196 Y197W78-Y204 WeakPolarHBondContact CB-O 3.39Å; P82-Y204 HydrophobicContact CB-CD1 4.45Å; P82-Y204 HydrophobicContact CB-CE1 4.44Å; P82-Y204 HydrophobicContact CG-CE2 4.32Å; F189-Y204 AromaticContact CE1-CE1 3.74Å; F189-Y204 HydrophobicContact CE1-CE1 3.74Å; F189-Y204 AromaticContact CZ-CE1 3.66Å; F189-Y204 HydrophobicContact CZ-CE1 3.66Å; F189-Y204 AromaticContact CZ-CZ 3.58Å; F189-Y204 VanDerWaalsContact CZ-OH 3.27Å; F189-Y204 WeakPolarHBondContact CZ-OH 3.33Å; H195-Y204 AromaticContact ND1-CD1 3.57Å; H195-Y204 AromaticContact ND1-CE1 3.91Å; I196-Y204 CarbonylContact O-C 3.46Å; Y197-Y204 HydrophobicContact CD2-CD1 4.4Å; Y197-Y204 HydrophobicContact CD2-CD2 4.19Å; Y197-Y204 HydrophobicContact CD2-CE1 4.41Å; Y197-Y204 HydrophobicContact CD2-CE2 4.19Å; Y197-Y204 HydrophobicContact CD2-CG 4.3Å
205E78.5Confident78.9Confident74 Ų7459.5 Ų59.535%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-103.2129.2166.8-66.3178.2-170.300108.3H195 I196 N198H195-E205 CarbonylContact C-O 3.55Å; H195-E205 WeakPolarHBondContact CA-O 3.31Å; H195-E205 WeakPolarHBondContact CB-O 3.4Å; I196-E205 PolarHBondContact N-O 3.06Å; I196-E205 PolarHBondContact O-N 2.98Å; N198-E205 HydrophobicContact CB-CG 4.25Å; N198-E205 WeakPolarHBondContact CB-OE1 3.31Å; N198-E205 PolarHBondContact ND2-OE1 3.44Å
206C85.7Confident79.6Confident30 Ų3061.6 Ų61.620%0.20332%0.32CS..EExtended strand (participates in β ladder)trans-83.4122.4176.8-175.80000109.8W78 C85W78-C206 HydrophobicContact CB-CB 4.06Å; W78-C206 HydrophobicContact CD2-CB 3.4Å; W78-C206 VanDerWaalsContact CD2-CB 3.4Å; W78-C206 HydrophobicContact CE3-CB 3.46Å; W78-C206 VanDerWaalsContact CE3-CB 3.46Å; W78-C206 HydrophobicContact CG-CB 3.64Å; W78-C206 HydrophobicContact CZ3-CB 4.12Å; C85-C206 VanDerWaalsContact CA-SG 3.6Å; C85-C206 HydrophobicContact CB-CB 3.75Å; C85-C206 WeakPolarHBondContact CB-SG 3.49Å; C85-C206 WeakPolarHBondContact SG-CA 3.22Å; C85-C206 WeakPolarHBondContact SG-CB 3.35Å; C85-C206 CovalentContact SG-SG 2.03Å; C85-C206 PolarHBondContact SG-SG 3.38Å
207V79Confident80.4Confident35 Ų3561.1 Ų61.121%0.21231%0.313CS..  trans-124.7120.3-171.1-179.50000109.5T194 I196 T210T194-V207 CarbonylContact C-O 3.59Å; T194-V207 CarbonylContact O-C 3.54Å; T194-V207 PolarHBondContact O-N 3.39Å; I196-V207 HydrophobicContact CD1-CG2 4.04Å; I196-V207 HydrophobicContact CG1-CG2 4.03Å; V207-T210 HydrophobicContact CG1-CG2 3.9Å
208L77.3Confident81.1Confident54 Ų5458.6 Ų58.628%0.28330%0.304SS..  trans-60139.4176.4-177.463000110.9L89 T210 F850 Y854L89-L208 HydrophobicContact CD2-CB 4.47Å; L89-L208 HydrophobicContact CD2-CD1 3.76Å; L208-T210 WeakPolarHBondContact O-CG2 3.24Å; L208-T210 PolarHBondContact O-N 2.72Å; L208-F850 HydrophobicContact CD2-CZ 4.25Å; L208-Y854 HydrophobicContact CB-CE2 4.46Å; L208-Y854 HydrophobicContact CD2-CD1 4.46Å; L208-Y854 HydrophobicContact CD2-CD2 3.65Å; L208-Y854 HydrophobicContact CD2-CE1 4.2Å; L208-Y854 HydrophobicContact CD2-CE2 3.33Å; L208-Y854 HydrophobicContact CD2-CG 4.2Å; L208-Y854 HydrophobicContact CG-CD2 4.34Å; L208-Y854 HydrophobicContact CG-CE2 3.54Å
209F77.2Confident81.8Confident5 Ų557.2 Ų57.22%0.02230%0.298CS..  trans-40.1130-171-56.2-88.2000114.4L89 T194 Y214 I215 Y854L89-F209 HydrophobicContact CB-CE2 4.25Å; L89-F209 HydrophobicContact CD1-CE2 4.44Å; T194-F209 HydrophobicContact CG2-CD1 3.95Å; T194-F209 HydrophobicContact CG2-CE1 3.63Å; T194-F209 HydrophobicContact CG2-CZ 4.24Å; F209-Y214 HydrophobicContact CB-CD1 3.43Å; F209-Y214 VanDerWaalsContact CB-CD1 3.43Å; F209-Y214 HydrophobicContact CB-CE1 3.5Å; F209-Y214 VanDerWaalsContact CB-CE1 3.5Å; F209-Y214 HydrophobicContact CB-CG 4.48Å; F209-Y214 HydrophobicContact CD1-CD1 4.36Å; F209-Y214 AromaticContact CD1-CE1 3.97Å; F209-Y214 HydrophobicContact CD1-CE1 3.97Å; F209-Y214 HydrophobicContact CD2-CD1 4.21Å; F209-Y214 AromaticContact CD2-CE1 3.34Å; F209-Y214 HydrophobicContact CD2-CE1 3.34Å; F209-Y214 AromaticContact CD2-CZ 3.92Å; F209-Y214 AromaticContact CE2-CE1 3.98Å; F209-Y214 HydrophobicContact CE2-CE1 3.98Å; F209-Y214 AromaticContact CG-CD1 3.77Å; F209-Y214 HydrophobicContact CG-CD1 3.77Å; F209-Y214 AromaticContact CG-CE1 3.32Å; F209-Y214 HydrophobicContact CG-CE1 3.32Å; F209-I215 WeakPolarHBondContact O-CD1 3.45Å; F209-I215 WeakPolarHBondContact O-CG1 3.36Å; F209-Y854 PolarHBondContact O-OH 2.96Å
210T72Confident82.6Confident27 Ų2755.1 Ų55.117%0.16628%0.279CS..  trans-105.5-2-16656.20000114.6G152 K154 V207 L208G152-T210 PolarHBondContact O-N 3.16Å; K154-T210 VanDerWaalsContact CE-O 3.24Å; K154-T210 WeakPolarHBondContact CE-O 3.33Å; K154-T210 PolarHBondContact NZ-O 3.34Å; V207-T210 HydrophobicContact CG1-CG2 3.9Å; L208-T210 WeakPolarHBondContact O-CG2 3.24Å; L208-T210 PolarHBondContact O-N 2.72Å
211E80.3Confident83.3Confident50 Ų5049.5 Ų49.523%0.23425%0.248CC..  trans-79.8121.9177.5-87.7-59.7159.200113.4G152 S153 K154 Y213 Y214 I215G152-E211 PolarHBondContact O-N 2.98Å; S153-E211 VanDerWaalsContact C-CG 3.5Å; S153-E211 VanDerWaalsContact O-CG 3.26Å; S153-E211 WeakPolarHBondContact O-CG 3.09Å; K154-E211 HydrophobicContact CG-CG 4.1Å; K154-E211 WeakPolarHBondContact CG-OE1 3.48Å; E211-Y213 VanDerWaalsContact C-N 3.31Å; E211-Y213 PolarHBondContact O-N 2.88Å; E211-Y214 PolarHBondContact O-N 2.73Å; E211-I215 VanDerWaalsContact O-CG1 3.26Å; E211-I215 WeakPolarHBondContact O-CG1 3.19Å; E211-I215 PolarHBondContact O-N 3.47Å
212A83.7Confident84.2Confident33 Ų3347.1 Ų47.127%0.27324%0.237SC..Hα-helixtrans-57.5-41.9-173.700000112.7Y214 I215 V216 G858A212-Y214 PolarHBondContact O-N 3.33Å; A212-I215 PolarHBondContact O-N 2.91Å; A212-V216 WeakPolarHBondContact O-CG2 3.39Å; A212-V216 PolarHBondContact O-N 2.92Å; A212-G858 VanDerWaalsContact CB-O 3.28Å; A212-G858 WeakPolarHBondContact CB-O 3.37Å
213Y86.5Confident85Confident187 Ų18742 Ų4273%0.73321%0.21SC*.Hα-helixtrans-65.5-37.9177.9-62.1-74000112.6E211 Y217E211-Y213 VanDerWaalsContact C-N 3.31Å; E211-Y213 PolarHBondContact O-N 2.88Å; Y213-Y217 WeakPolarHBondContact O-CB 3.47Å; Y213-Y217 PolarHBondContact O-N 2.97Å
214Y87.4Confident85.9Confident6 Ų641.2 Ų41.22%0.02421%0.207CC..Hα-helixtrans-72.3-39.8176.2178.8-90.5000112P146 W151 F209 E211 A212 V216 Y217 S218P146-Y214 HydrophobicContact CB-CE2 4.18Å; W151-Y214 WeakPolarHBondContact O-CD2 3.17Å; W151-Y214 WeakPolarHBondContact O-CE2 3.45Å; F209-Y214 HydrophobicContact CB-CD1 3.43Å; F209-Y214 VanDerWaalsContact CB-CD1 3.43Å; F209-Y214 HydrophobicContact CB-CE1 3.5Å; F209-Y214 VanDerWaalsContact CB-CE1 3.5Å; F209-Y214 HydrophobicContact CB-CG 4.48Å; F209-Y214 HydrophobicContact CD1-CD1 4.36Å; F209-Y214 AromaticContact CD1-CE1 3.97Å; F209-Y214 HydrophobicContact CD1-CE1 3.97Å; F209-Y214 HydrophobicContact CD2-CD1 4.21Å; F209-Y214 AromaticContact CD2-CE1 3.34Å; F209-Y214 HydrophobicContact CD2-CE1 3.34Å; F209-Y214 AromaticContact CD2-CZ 3.92Å; F209-Y214 AromaticContact CE2-CE1 3.98Å; F209-Y214 HydrophobicContact CE2-CE1 3.98Å; F209-Y214 AromaticContact CG-CD1 3.77Å; F209-Y214 HydrophobicContact CG-CD1 3.77Å; F209-Y214 AromaticContact CG-CE1 3.32Å; F209-Y214 HydrophobicContact CG-CE1 3.32Å; E211-Y214 PolarHBondContact O-N 2.73Å; A212-Y214 PolarHBondContact O-N 3.33Å; Y214-V216 VanDerWaalsContact C-N 3.31Å; Y214-V216 PolarHBondContact O-N 2.87Å; Y214-Y217 HydrophobicContact CD2-CD1 4.45Å; Y214-Y217 PolarHBondContact O-N 2.89Å; Y214-S218 WeakPolarHBondContact O-CB 3.41Å; Y214-S218 PolarHBondContact O-N 3.27Å; Y214-S218 PolarHBondContact O-OG 2.93Å
215I87.8Confident86.8Confident6 Ų641.9 Ų41.93%0.03121%0.214CC..Hα-helixtrans-58.4-45.7175.1-65.9166.1000109.9F209 E211 A212 S218 A219 Y854F209-I215 WeakPolarHBondContact O-CD1 3.45Å; F209-I215 WeakPolarHBondContact O-CG1 3.36Å; E211-I215 VanDerWaalsContact O-CG1 3.26Å; E211-I215 WeakPolarHBondContact O-CG1 3.19Å; E211-I215 PolarHBondContact O-N 3.47Å; A212-I215 PolarHBondContact O-N 2.91Å; I215-S218 PolarHBondContact O-OG 2.83Å; I215-A219 WeakPolarHBondContact O-CB 3.42Å; I215-A219 PolarHBondContact O-N 3.3Å; I215-Y854 HydrophobicContact CB-CE1 4.38Å; I215-Y854 HydrophobicContact CD1-CE2 4.25Å; I215-Y854 HydrophobicContact CG1-CE1 4.29Å; I215-Y854 HydrophobicContact CG1-CE2 3.9Å; I215-Y854 HydrophobicContact CG2-CD1 3.99Å; I215-Y854 HydrophobicContact CG2-CD2 4.41Å; I215-Y854 HydrophobicContact CG2-CE1 3.87Å; I215-Y854 HydrophobicContact CG2-CE2 4.28Å; I215-Y854 HydrophobicContact CG2-CG 4.29Å
216V91.4Very high87.6Confident49 Ų4938.4 Ų38.430%0.29720%0.198SC..Hα-helixtrans-64.1-48.4174.6173.50000111.2A212 Y214 S218 A219 M220 L855 L859A212-V216 WeakPolarHBondContact O-CG2 3.39Å; A212-V216 PolarHBondContact O-N 2.92Å; Y214-V216 VanDerWaalsContact C-N 3.31Å; Y214-V216 PolarHBondContact O-N 2.87Å; V216-S218 PolarHBondContact O-N 3.36Å; V216-A219 PolarHBondContact O-N 2.77Å; V216-M220 HydrophobicContact CG1-CG 4.28Å; V216-M220 WeakPolarHBondContact O-CB 3.36Å; V216-M220 VanDerWaalsContact O-CG 3.27Å; V216-M220 WeakPolarHBondContact O-CG 3.49Å; V216-M220 PolarHBondContact O-N 3.37Å; V216-L855 HydrophobicContact CG2-CD1 3.93Å; V216-L859 HydrophobicContact CG2-CD2 3.89Å
217Y91.9Very high88.1Confident86 Ų8638.6 Ų38.634%0.33720%0.195SC..Hα-helixtrans-56.7-52.2179.9168.1-95.6000112.5I143 P146 Y213 Y214 M220 G221I143-Y217 WeakPolarHBondContact O-CE1 3.24Å; P146-Y217 HydrophobicContact CB-CE1 4.32Å; P146-Y217 HydrophobicContact CG-CE1 3.78Å; Y213-Y217 WeakPolarHBondContact O-CB 3.47Å; Y213-Y217 PolarHBondContact O-N 2.97Å; Y214-Y217 HydrophobicContact CD2-CD1 4.45Å; Y214-Y217 PolarHBondContact O-N 2.89Å; Y217-M220 PolarHBondContact O-N 3.12Å; Y217-G221 PolarHBondContact O-N 3.16Å
218S90.5Very high88.9Confident9 Ų941.1 Ų41.16%0.06321%0.207CC..Hα-helixtrans-64.5-44.6-179.853.90000111.2Y214 I215 V216 M220 G221 S222Y214-S218 WeakPolarHBondContact O-CB 3.41Å; Y214-S218 PolarHBondContact O-N 3.27Å; Y214-S218 PolarHBondContact O-OG 2.93Å; I215-S218 PolarHBondContact O-OG 2.83Å; V216-S218 PolarHBondContact O-N 3.36Å; S218-M220 VanDerWaalsContact C-N 3.31Å; S218-M220 PolarHBondContact O-N 3.3Å; S218-G221 PolarHBondContact O-N 3.03Å; S218-S222 WeakPolarHBondContact O-CB 3.48Å; S218-S222 PolarHBondContact O-N 3.39Å; S218-S222 PolarHBondContact O-OG 3.4Å
219A91.9Very high89.8Confident6 Ų641.4 Ų41.45%0.0521%0.208CC..Hα-helixtrans-61-36.8174.500000113I215 V216 F223 I224 T851 L855I215-A219 WeakPolarHBondContact O-CB 3.42Å; I215-A219 PolarHBondContact O-N 3.3Å; V216-A219 PolarHBondContact O-N 2.77Å; A219-F223 PolarHBondContact O-N 2.94Å; A219-I224 WeakPolarHBondContact O-CG1 3.16Å; A219-I224 PolarHBondContact O-N 2.84Å; A219-T851 HydrophobicContact CB-CG2 4.18Å; A219-L855 HydrophobicContact CB-CD1 4.49Å
220M93.9Very high90.6Very high58 Ų5841.2 Ų41.229%0.28621%0.207SC..Iπ-helixtrans-65.7-51.6175.3-73.4-50.310700112.2V216 Y217 S218 I224 I225V216-M220 HydrophobicContact CG1-CG 4.28Å; V216-M220 WeakPolarHBondContact O-CB 3.36Å; V216-M220 VanDerWaalsContact O-CG 3.27Å; V216-M220 WeakPolarHBondContact O-CG 3.49Å; V216-M220 PolarHBondContact O-N 3.37Å; Y217-M220 PolarHBondContact O-N 3.12Å; S218-M220 VanDerWaalsContact C-N 3.31Å; S218-M220 PolarHBondContact O-N 3.3Å; M220-I224 HydrophobicContact CE-CB 3.79Å; M220-I224 HydrophobicContact CE-CG1 3.75Å; M220-I224 HydrophobicContact CE-CG2 3.89Å; M220-I224 HydrophobicContact SD-CB 4Å; M220-I224 HydrophobicContact SD-CG2 3.86Å; M220-I225 HydrophobicContact CB-CD1 4.01Å; M220-I225 HydrophobicContact CB-CG1 4.36Å; M220-I225 VanDerWaalsContact O-CB 3.31Å; M220-I225 WeakPolarHBondContact O-CB 3.37Å; M220-I225 WeakPolarHBondContact O-CG1 3.41Å; M220-I225 PolarHBondContact O-N 3.37Å
221G92.6Very high91.6Very high13 Ų1344 Ų4413%0.13422%0.22CC..Iπ-helixtrans-72-41.5-17500000114.1W101 Y217 S218 P226W101-G221 PolarHBondContact NE1-O 3.49Å; W101-G221 VanDerWaalsContact NE1-O 3.11Å; Y217-G221 PolarHBondContact O-N 3.16Å; S218-G221 PolarHBondContact O-N 3.03Å; G221-P226 WeakPolarHBondContact O-CG 3.4Å
222S92Very high92.4Very high18 Ų1845.4 Ų45.413%0.12623%0.228CC..Iπ-helixtrans-83.1-30.9-174.7-58.80000113.7T97 V100 S218T97-S222 WeakPolarHBondContact OG1-CB 3.33Å; T97-S222 PolarHBondContact OG1-OG 2.88Å; V100-S222 WeakPolarHBondContact CG2-O 3.4Å; S218-S222 WeakPolarHBondContact O-CB 3.48Å; S218-S222 PolarHBondContact O-N 3.39Å; S218-S222 PolarHBondContact O-OG 3.4Å
223F93.1Very high92.9Very high8 Ų844.7 Ų44.74%0.03522%0.22CC..Iπ-helixtrans-133-59.7-174.3-173.7-97.9000115.2A219 I225 P226 F227 F843 W847 I848 T851A219-F223 PolarHBondContact O-N 2.94Å; F223-I225 PolarHBondContact O-N 2.9Å; F223-P226 WeakPolarHBondContact O-CD 3.31Å; F223-F227 HydrophobicContact CD1-CB 4.49Å; F223-F227 HydrophobicContact CE1-CB 4.16Å; F223-F227 HydrophobicContact CE1-CD1 4.05Å; F223-F227 HydrophobicContact CE1-CG 4.14Å; F223-F227 HydrophobicContact CZ-CB 4.18Å; F223-F227 HydrophobicContact CZ-CD1 4.18Å; F223-F227 HydrophobicContact CZ-CD2 4.28Å; F223-F227 AromaticContact CZ-CG 3.96Å; F223-F227 HydrophobicContact CZ-CG 3.96Å; F223-F227 WeakPolarHBondContact O-CB 3.36Å; F223-F227 PolarHBondContact O-N 2.88Å; F223-F843 HydrophobicContact CD2-CE1 4.04Å; F223-F843 AromaticContact CD2-CZ 3.79Å; F223-F843 HydrophobicContact CD2-CZ 3.79Å; F223-F843 HydrophobicContact CE2-CD1 4.35Å; F223-F843 AromaticContact CE2-CE1 3.43Å; F223-F843 HydrophobicContact CE2-CE1 3.43Å; F223-F843 VanDerWaalsContact CE2-CE1 3.43Å; F223-F843 AromaticContact CE2-CZ 3.56Å; F223-F843 HydrophobicContact CE2-CZ 3.56Å; F223-F843 HydrophobicContact CZ-CE1 4.35Å; F223-W847 HydrophobicContact CD2-CB 3.84Å; F223-W847 HydrophobicContact CE2-CB 3.31Å; F223-W847 HydrophobicContact CE2-CG 4.29Å; F223-W847 HydrophobicContact CZ-CB 4.02Å; F223-I848 HydrophobicContact CE1-CG1 3.99Å; F223-I848 HydrophobicContact CZ-CG1 3.77Å; F223-T851 HydrophobicContact CB-CG2 4.1Å; F223-T851 HydrophobicContact CD1-CG2 3.75Å; F223-T851 HydrophobicContact CG-CG2 4.14Å
224I94.2Very high93.1Very high45 Ų4537 Ų3723%0.23119%0.19CC..Iπ-helixtrans-66.5-47.6-163.4-62.9-73.1000112.4A219 M220 F227 I228 T851A219-I224 WeakPolarHBondContact O-CG1 3.16Å; A219-I224 PolarHBondContact O-N 2.84Å; M220-I224 HydrophobicContact CE-CB 3.79Å; M220-I224 HydrophobicContact CE-CG1 3.75Å; M220-I224 HydrophobicContact CE-CG2 3.89Å; M220-I224 HydrophobicContact SD-CB 4Å; M220-I224 HydrophobicContact SD-CG2 3.86Å; I224-F227 PolarHBondContact O-N 3.1Å; I224-I228 HydrophobicContact CG2-CD1 3.86Å; I224-I228 VanDerWaalsContact O-CG1 3.3Å; I224-I228 WeakPolarHBondContact O-CG1 3.41Å; I224-I228 PolarHBondContact O-N 3.39Å; I224-T851 HydrophobicContact CD1-CG2 4.29Å; I224-T851 HydrophobicContact CG1-CG2 4.33Å
225I96.1Very high93.4Very high81 Ų8138.6 Ų38.642%0.41520%0.204SC..Hα-helixtrans-65.3-49.5176.8-63.9172000111M220 F223 F227 I228 I229M220-I225 HydrophobicContact CB-CD1 4.01Å; M220-I225 HydrophobicContact CB-CG1 4.36Å; M220-I225 VanDerWaalsContact O-CB 3.31Å; M220-I225 WeakPolarHBondContact O-CB 3.37Å; M220-I225 WeakPolarHBondContact O-CG1 3.41Å; M220-I225 PolarHBondContact O-N 3.37Å; F223-I225 PolarHBondContact O-N 2.9Å; I225-F227 VanDerWaalsContact C-N 3.3Å; I225-F227 PolarHBondContact O-N 2.94Å; I225-I228 PolarHBondContact O-N 3.46Å; I225-I229 HydrophobicContact CG2-CD1 3.79Å; I225-I229 HydrophobicContact CG2-CG1 4.46Å; I225-I229 VanDerWaalsContact O-CG1 3.3Å; I225-I229 WeakPolarHBondContact O-CG1 3.34Å; I225-I229 PolarHBondContact O-N 2.94Å
226P95.5Very high93.7Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-50.3-44.8171-29.833.5000114.4V100 W101 V104 G221 F223 I229 M230V100-P226 HydrophobicContact CG1-CB 3.44Å; V100-P226 VanDerWaalsContact CG1-CB 3.44Å; V100-P226 HydrophobicContact CG1-CG 4.09Å; W101-P226 HydrophobicContact CD2-CG 4.34Å; W101-P226 HydrophobicContact CH2-CG 4.46Å; W101-P226 HydrophobicContact CZ2-CG 3.73Å; V104-P226 HydrophobicContact CG2-CB 3.68Å; G221-P226 WeakPolarHBondContact O-CG 3.4Å; F223-P226 WeakPolarHBondContact O-CD 3.31Å; P226-I229 PolarHBondContact O-N 3.46Å; P226-M230 WeakPolarHBondContact O-CG 3.42Å; P226-M230 PolarHBondContact O-N 3.21Å
227F94.9Very high93.7Very high35 Ų3541.1 Ų41.115%0.15421%0.211CC..Hα-helixtrans-66.9-44.1-177.6-176.7-125.4000112.1F223 I224 I225 I229 M230 I231 A844 I848F223-F227 HydrophobicContact CD1-CB 4.49Å; F223-F227 HydrophobicContact CE1-CB 4.16Å; F223-F227 HydrophobicContact CE1-CD1 4.05Å; F223-F227 HydrophobicContact CE1-CG 4.14Å; F223-F227 HydrophobicContact CZ-CB 4.18Å; F223-F227 HydrophobicContact CZ-CD1 4.18Å; F223-F227 HydrophobicContact CZ-CD2 4.28Å; F223-F227 AromaticContact CZ-CG 3.96Å; F223-F227 HydrophobicContact CZ-CG 3.96Å; F223-F227 WeakPolarHBondContact O-CB 3.36Å; F223-F227 PolarHBondContact O-N 2.88Å; I224-F227 PolarHBondContact O-N 3.1Å; I225-F227 VanDerWaalsContact C-N 3.3Å; I225-F227 PolarHBondContact O-N 2.94Å; F227-I229 VanDerWaalsContact C-N 3.33Å; F227-I229 PolarHBondContact O-N 3.49Å; F227-M230 PolarHBondContact O-N 3.25Å; F227-I231 HydrophobicContact CD1-CD1 3.99Å; F227-I231 HydrophobicContact CD2-CD1 4.41Å; F227-I231 HydrophobicContact CE1-CD1 3.64Å; F227-I231 HydrophobicContact CE2-CD1 4.07Å; F227-I231 HydrophobicContact CE2-CG1 4.28Å; F227-I231 HydrophobicContact CG-CD1 4.36Å; F227-I231 HydrophobicContact CZ-CD1 3.68Å; F227-I231 HydrophobicContact CZ-CG1 4.33Å; F227-I231 WeakPolarHBondContact O-CG1 3.4Å; F227-I231 PolarHBondContact O-N 3.29Å; F227-A844 HydrophobicContact CE2-CB 3.62Å; F227-A844 HydrophobicContact CZ-CB 3.72Å; F227-I848 HydrophobicContact CE1-CD1 3.88Å; F227-I848 HydrophobicContact CE1-CG1 4.4Å; F227-I848 HydrophobicContact CZ-CD1 3.86Å
228I96.1Very high93.6Very high88 Ų8842.9 Ų42.945%0.45122%0.221SC..Hα-helixtrans-60.4-43173.5-68.9165.8000110.8I224 I225 M230 I231 I232I224-I228 HydrophobicContact CG2-CD1 3.86Å; I224-I228 VanDerWaalsContact O-CG1 3.3Å; I224-I228 WeakPolarHBondContact O-CG1 3.41Å; I224-I228 PolarHBondContact O-N 3.39Å; I225-I228 PolarHBondContact O-N 3.46Å; I228-M230 PolarHBondContact O-N 2.99Å; I228-I231 PolarHBondContact O-N 2.98Å; I228-I232 HydrophobicContact CG2-CD1 3.77Å; I228-I232 VanDerWaalsContact O-CG1 3.32Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 3.23Å
229I96.8Very high93.6Very high59 Ų5948.5 Ų48.530%0.30324%0.244SC..Hα-helixtrans-61.5-44.9176.3-67.4167000110.7W101 V104 I225 P226 F227 I232 L233W101-I229 HydrophobicContact CH2-CD1 4.18Å; W101-I229 HydrophobicContact CZ3-CD1 4.46Å; V104-I229 HydrophobicContact CG1-CG2 3.78Å; I225-I229 HydrophobicContact CG2-CD1 3.79Å; I225-I229 HydrophobicContact CG2-CG1 4.46Å; I225-I229 VanDerWaalsContact O-CG1 3.3Å; I225-I229 WeakPolarHBondContact O-CG1 3.34Å; I225-I229 PolarHBondContact O-N 2.94Å; P226-I229 PolarHBondContact O-N 3.46Å; F227-I229 VanDerWaalsContact C-N 3.33Å; F227-I229 PolarHBondContact O-N 3.49Å; I229-I232 PolarHBondContact O-N 2.9Å; I229-L233 HydrophobicContact CG2-CD1 3.77Å; I229-L233 HydrophobicContact CG2-CG 4.29Å; I229-L233 WeakPolarHBondContact O-CB 3.36Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 3.42Å
230M93.7Very high93.5Very high2 Ų249.7 Ų49.71%0.0125%0.249CC..Hα-helixtrans-59.9-47.5176-75.3-168-78.500112.2V100 L103 V104 A107 P226 F227 I228 I232 L233 Y234 I840 F843V100-M230 HydrophobicContact CG1-CE 4.18Å; L103-M230 HydrophobicContact CB-CE 4.33Å; L103-M230 HydrophobicContact CB-SD 3.6Å; L103-M230 VanDerWaalsContact CB-SD 3.6Å; V104-M230 HydrophobicContact CB-CG 4.49Å; V104-M230 HydrophobicContact CG2-CE 4.48Å; V104-M230 HydrophobicContact CG2-CG 3.92Å; V104-M230 HydrophobicContact CG2-SD 4.42Å; A107-M230 HydrophobicContact CB-CG 4.31Å; P226-M230 WeakPolarHBondContact O-CG 3.42Å; P226-M230 PolarHBondContact O-N 3.21Å; F227-M230 PolarHBondContact O-N 3.25Å; I228-M230 PolarHBondContact O-N 2.99Å; M230-I232 VanDerWaalsContact C-N 3.34Å; M230-I232 PolarHBondContact O-N 3.2Å; M230-L233 PolarHBondContact O-N 3.34Å; M230-Y234 WeakPolarHBondContact O-CD2 3.49Å; M230-Y234 PolarHBondContact O-N 3.24Å; M230-I840 HydrophobicContact CB-CG2 4.42Å; M230-F843 HydrophobicContact CE-CD1 3.92Å; M230-F843 HydrophobicContact CE-CE1 3.56Å; M230-F843 HydrophobicContact CE-CZ 4.38Å
231I93.7Very high93.1Very high84 Ų8448.1 Ų48.143%0.43124%0.242SC..Hα-helixtrans-56.5-48.4176.7-69.9167000110.6F227 I228 L233 Y234 A235F227-I231 HydrophobicContact CD1-CD1 3.99Å; F227-I231 HydrophobicContact CD2-CD1 4.41Å; F227-I231 HydrophobicContact CE1-CD1 3.64Å; F227-I231 HydrophobicContact CE2-CD1 4.07Å; F227-I231 HydrophobicContact CE2-CG1 4.28Å; F227-I231 HydrophobicContact CG-CD1 4.36Å; F227-I231 HydrophobicContact CZ-CD1 3.68Å; F227-I231 HydrophobicContact CZ-CG1 4.33Å; F227-I231 WeakPolarHBondContact O-CG1 3.4Å; F227-I231 PolarHBondContact O-N 3.29Å; I228-I231 PolarHBondContact O-N 2.98Å; I231-L233 PolarHBondContact O-N 3.13Å; I231-Y234 PolarHBondContact O-N 3.32Å; I231-A235 WeakPolarHBondContact O-CB 3.48Å; I231-A235 PolarHBondContact O-N 3.25Å
232I95.7Very high92.8Very high80 Ų8050.5 Ų50.541%0.4125%0.249SC..Hα-helixtrans-63.8-41.9-179-69.2168.3000111.6I228 I229 M230 K236I228-I232 HydrophobicContact CG2-CD1 3.77Å; I228-I232 VanDerWaalsContact O-CG1 3.32Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 3.23Å; I229-I232 PolarHBondContact O-N 2.9Å; M230-I232 VanDerWaalsContact C-N 3.34Å; M230-I232 PolarHBondContact O-N 3.2Å; I232-K236 HydrophobicContact CG2-CD 4.18Å; I232-K236 WeakPolarHBondContact O-CB 3.37Å; I232-K236 VanDerWaalsContact O-CG 3.29Å; I232-K236 WeakPolarHBondContact O-CG 3.39Å; I232-K236 PolarHBondContact O-N 3.02Å; I232-K236 VanDerWaalsContact O-N 3.15Å
233L95.1Very high92.6Very high18 Ų1855.1 Ų55.19%0.09427%0.269CS..Hα-helixtrans-65-48.6177.4-72.1171.9000111.2A107 F108 F111 I229 M230 I231 K236 I237A107-L233 HydrophobicContact CB-CB 4.28Å; A107-L233 HydrophobicContact CB-CD1 3.82Å; F108-L233 HydrophobicContact CB-CD1 4.28Å; F108-L233 HydrophobicContact CD2-CD2 4.4Å; F111-L233 HydrophobicContact CB-CD2 3.92Å; F111-L233 HydrophobicContact CD1-CD2 3.89Å; F111-L233 HydrophobicContact CD2-CD2 4.33Å; F111-L233 HydrophobicContact CG-CD2 3.77Å; I229-L233 HydrophobicContact CG2-CD1 3.77Å; I229-L233 HydrophobicContact CG2-CG 4.29Å; I229-L233 WeakPolarHBondContact O-CB 3.36Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 3.42Å; M230-L233 PolarHBondContact O-N 3.34Å; I231-L233 PolarHBondContact O-N 3.13Å; L233-K236 PolarHBondContact O-N 3.34Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.48Å; L233-I237 PolarHBondContact O-N 3.3Å
234Y91.5Very high92.1Very high26 Ų2658.1 Ų58.110%0.10228%0.28CS..Hα-helixtrans-73.3-31.8-177.8-80.4-77.3000113.9A107 M230 I231 I237 F238 M836 I840A107-Y234 HydrophobicContact CB-CD2 3.9Å; A107-Y234 HydrophobicContact CB-CE2 3.3Å; M230-Y234 WeakPolarHBondContact O-CD2 3.49Å; M230-Y234 PolarHBondContact O-N 3.24Å; I231-Y234 PolarHBondContact O-N 3.32Å; Y234-I237 HydrophobicContact CD1-CD1 3.79Å; Y234-I237 HydrophobicContact CE1-CD1 4.02Å; Y234-I237 HydrophobicContact CG-CD1 4.3Å; Y234-I237 PolarHBondContact O-N 3.08Å; Y234-F238 VanDerWaalsContact O-CB 3.28Å; Y234-F238 WeakPolarHBondContact O-CB 3.41Å; Y234-F238 PolarHBondContact O-N 3.43Å; Y234-M836 HydrophobicContact CE1-CB 4.06Å; Y234-M836 WeakPolarHBondContact OH-CB 3.16Å; Y234-I840 HydrophobicContact CD1-CD1 3.75Å; Y234-I840 HydrophobicContact CD2-CD1 3.12Å; Y234-I840 HydrophobicContact CD2-CG1 3.8Å; Y234-I840 HydrophobicContact CE1-CD1 4.07Å; Y234-I840 HydrophobicContact CE2-CD1 3.45Å; Y234-I840 VanDerWaalsContact CE2-CD1 3.45Å; Y234-I840 HydrophobicContact CE2-CG1 3.66Å; Y234-I840 HydrophobicContact CG-CD1 3.26Å; Y234-I840 HydrophobicContact CG-CG1 4.37Å
235A92.4Very high91.4Very high40 Ų4057.4 Ų57.433%0.33128%0.278SS..Hα-helixtrans-60.2-46.9168.200000111.1I231 F238 F239I231-A235 WeakPolarHBondContact O-CB 3.48Å; I231-A235 PolarHBondContact O-N 3.25Å; A235-F238 PolarHBondContact O-N 3.39Å; A235-F239 WeakPolarHBondContact O-CD2 3.5Å; A235-F239 PolarHBondContact O-N 2.75Å
236K94.5Very high90.8Very high107 Ų10760.4 Ų60.447%0.46528%0.284SS..Hα-helixtrans-60.3-46174.8-75.3169.5-178.6171.20112F111 I232 L233 F238 F239 I240F111-K236 HydrophobicContact CD2-CB 4.21Å; F111-K236 HydrophobicContact CE2-CB 3.9Å; F111-K236 HydrophobicContact CE2-CD 4.19Å; I232-K236 HydrophobicContact CG2-CD 4.18Å; I232-K236 WeakPolarHBondContact O-CB 3.37Å; I232-K236 VanDerWaalsContact O-CG 3.29Å; I232-K236 WeakPolarHBondContact O-CG 3.39Å; I232-K236 PolarHBondContact O-N 3.02Å; I232-K236 VanDerWaalsContact O-N 3.15Å; L233-K236 PolarHBondContact O-N 3.34Å; K236-F238 VanDerWaalsContact C-N 3.35Å; K236-F238 PolarHBondContact O-N 2.91Å; K236-F239 PolarHBondContact O-N 3.42Å; K236-I240 WeakPolarHBondContact O-CB 3.36Å; K236-I240 WeakPolarHBondContact O-CD1 3.36Å; K236-I240 VanDerWaalsContact O-CG1 3.24Å; K236-I240 WeakPolarHBondContact O-CG1 3.48Å; K236-I240 PolarHBondContact O-N 3.22Å
237I91.7Very high90.2Very high1 Ų165 Ų651%0.00531%0.308CS..Hα-helixtrans-56.5-48.5174.8-70.2165.9000110.8R110 F111 T114 L233 Y234 I240 L241 T833R110-I237 HydrophobicContact CB-CD1 3.98Å; F111-I237 HydrophobicContact CB-CD1 3.95Å; F111-I237 HydrophobicContact CB-CG1 4.02Å; F111-I237 HydrophobicContact CD2-CG1 4.09Å; T114-I237 HydrophobicContact CG2-CG2 4.33Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.48Å; L233-I237 PolarHBondContact O-N 3.3Å; Y234-I237 HydrophobicContact CD1-CD1 3.79Å; Y234-I237 HydrophobicContact CE1-CD1 4.02Å; Y234-I237 HydrophobicContact CG-CD1 4.3Å; Y234-I237 PolarHBondContact O-N 3.08Å; I237-I240 PolarHBondContact O-N 3.05Å; I237-L241 HydrophobicContact CG2-CD1 4.09Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.5Å; I237-T833 HydrophobicContact CG2-CG2 3.33Å
238F89.6Confident89.3Confident123 Ų12365.8 Ų65.854%0.53931%0.313SS..Hα-helixtrans-60.8-47.2-179.6-179.7-105.4000111.9Y234 A235 K236 I240 L241 Q242Y234-F238 VanDerWaalsContact O-CB 3.28Å; Y234-F238 WeakPolarHBondContact O-CB 3.41Å; Y234-F238 PolarHBondContact O-N 3.43Å; A235-F238 PolarHBondContact O-N 3.39Å; K236-F238 VanDerWaalsContact C-N 3.35Å; K236-F238 PolarHBondContact O-N 2.91Å; F238-I240 PolarHBondContact O-N 3.37Å; F238-L241 PolarHBondContact O-N 3.2Å; F238-Q242 HydrophobicContact CE1-CG 4.35Å; F238-Q242 HydrophobicContact CZ-CG 4.43Å; F238-Q242 WeakPolarHBondContact O-CB 3.41Å; F238-Q242 WeakPolarHBondContact O-CG 3.35Å; F238-Q242 PolarHBondContact O-N 3.23Å
239F91Very high88.4Confident126 Ų12669.3 Ų69.355%0.55332%0.321SS*.Hα-helixtrans-62.7-41.7175.9-73.1-58.9000112.7A235 K236 Q242 Q243A235-F239 WeakPolarHBondContact O-CD2 3.5Å; A235-F239 PolarHBondContact O-N 2.75Å; K236-F239 PolarHBondContact O-N 3.42Å; F239-Q242 PolarHBondContact O-N 3.49Å; F239-Q243 WeakPolarHBondContact O-CB 3.29Å; F239-Q243 VanDerWaalsContact O-CG 3.29Å; F239-Q243 WeakPolarHBondContact O-CG 3.4Å; F239-Q243 PolarHBondContact O-N 2.97Å
240I89.7Confident87.6Confident32 Ų3271.7 Ų71.716%0.16433%0.331CS..Hα-helixtrans-65-43177.5-67.8164.9000111F111 T114 T115 K236 I237 F238 Q243 R244F111-I240 HydrophobicContact CE2-CD1 4.28Å; T114-I240 HydrophobicContact CG2-CB 4.34Å; T114-I240 HydrophobicContact CG2-CG2 3.88Å; T115-I240 HydrophobicContact CG2-CD1 4.12Å; T115-I240 WeakPolarHBondContact OG1-CD1 3.38Å; K236-I240 WeakPolarHBondContact O-CB 3.36Å; K236-I240 WeakPolarHBondContact O-CD1 3.36Å; K236-I240 VanDerWaalsContact O-CG1 3.24Å; K236-I240 WeakPolarHBondContact O-CG1 3.48Å; K236-I240 PolarHBondContact O-N 3.22Å; I237-I240 PolarHBondContact O-N 3.05Å; F238-I240 PolarHBondContact O-N 3.37Å; I240-Q243 PolarHBondContact O-N 3.24Å; I240-R244 PolarHBondContact O-N 3.47Å
241L86Confident86.6Confident25 Ų2574.6 Ų74.613%0.13135%0.351CS..Hα-helixtrans-67.3-36.9175.7-70.5-175.7000112.3T114 I237 F238 T245 R830 T833T114-L241 HydrophobicContact CG2-CD2 3.82Å; T114-L241 HydrophobicContact CG2-CG 4.01Å; I237-L241 HydrophobicContact CG2-CD1 4.09Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CB 3.42Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.5Å; F238-L241 PolarHBondContact O-N 3.2Å; L241-T245 VanDerWaalsContact O-CB 3.31Å; L241-T245 WeakPolarHBondContact O-CB 3.49Å; L241-T245 PolarHBondContact O-N 2.87Å; L241-T245 PolarHBondContact O-OG1 3.35Å; L241-R830 HydrophobicContact CD1-CG 4.37Å; L241-R830 HydrophobicContact CD2-CG 4.07Å; L241-T833 HydrophobicContact CD1-CG2 3.61Å
242Q86.5Confident85.4Confident62 Ų6275.4 Ų75.429%0.2935%0.349SS..Hα-helixtrans-62-46.9170.9-79.3-144.618.500111.5F238 F239 R244 T245 R246F238-Q242 HydrophobicContact CE1-CG 4.35Å; F238-Q242 HydrophobicContact CZ-CG 4.43Å; F238-Q242 WeakPolarHBondContact O-CB 3.41Å; F238-Q242 WeakPolarHBondContact O-CG 3.35Å; F238-Q242 PolarHBondContact O-N 3.23Å; F239-Q242 PolarHBondContact O-N 3.49Å; Q242-R244 PolarHBondContact O-N 2.77Å; Q242-T245 WeakPolarHBondContact O-CB 3.48Å; Q242-T245 PolarHBondContact O-N 3.36Å; Q242-R246 VanDerWaalsContact O-CG 3.29Å; Q242-R246 WeakPolarHBondContact O-CG 3.45Å; Q242-R246 PolarHBondContact O-N 3.1Å
243Q86.9Confident84.2Confident115 Ų11580.8 Ų80.854%0.53736%0.364SS..Hα-helixtrans-59.4-47.6178.6-75.3172.2-3.100111.4F239 I240 T245 R246 L247F239-Q243 WeakPolarHBondContact O-CB 3.29Å; F239-Q243 VanDerWaalsContact O-CG 3.29Å; F239-Q243 WeakPolarHBondContact O-CG 3.4Å; F239-Q243 PolarHBondContact O-N 2.97Å; I240-Q243 PolarHBondContact O-N 3.24Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; Q243-T245 PolarHBondContact O-N 2.74Å; Q243-R246 PolarHBondContact O-N 3.27Å; Q243-L247 WeakPolarHBondContact O-CG 3.26Å; Q243-L247 PolarHBondContact O-N 2.85Å
244R82.3Confident83.1Confident71 Ų7185.6 Ų85.627%0.26839%0.389SS..Hα-helixtrans-61.6-40.3174.2-70.2-175.3-176.4157.99.2112.6T114 T115 I240 Q242 R246 L247 I248T114-R244 PolarHBondContact O-NH1 3.01Å; T114-R244 PolarHBondContact O-NH2 2.82Å; T115-R244 PolarHBondContact O-NH2 3.05Å; I240-R244 PolarHBondContact O-N 3.47Å; Q242-R244 PolarHBondContact O-N 2.77Å; R244-R246 VanDerWaalsContact C-N 3.34Å; R244-R246 PolarHBondContact O-N 2.97Å; R244-L247 PolarHBondContact O-N 3.46Å; R244-I248 WeakPolarHBondContact O-CB 3.29Å; R244-I248 WeakPolarHBondContact O-CG1 3.46Å; R244-I248 PolarHBondContact O-N 2.9Å
245T79.4Confident81.9Confident30 Ų3087 Ų8718%0.18440%0.396CS..Hα-helixtrans-60.6-42.5175.2-58.30000111.8L241 Q242 Q243 R249 R830L241-T245 VanDerWaalsContact O-CB 3.31Å; L241-T245 WeakPolarHBondContact O-CB 3.49Å; L241-T245 PolarHBondContact O-N 2.87Å; L241-T245 PolarHBondContact O-OG1 3.35Å; Q242-T245 WeakPolarHBondContact O-CB 3.48Å; Q242-T245 PolarHBondContact O-N 3.36Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; Q243-T245 PolarHBondContact O-N 2.74Å; T245-R249 WeakPolarHBondContact O-CB 3.4Å; T245-R249 VanDerWaalsContact O-CG 3.26Å; T245-R249 WeakPolarHBondContact O-CG 3.42Å; T245-R249 PolarHBondContact O-N 2.71Å; T245-R249 VanDerWaalsContact O-N 3.12Å; T245-R830 PolarHBondContact OG1-NH1 3.31Å
246R83.8Confident80.5Confident145 Ų14590.1 Ų90.155%0.54741%0.407SS..Hα-helixtrans-66.1-48.5176.9-67.7170.1-168.2-149.64.6111.2Q242 Q243 R244 I248 R249 Q250Q242-R246 VanDerWaalsContact O-CG 3.29Å; Q242-R246 WeakPolarHBondContact O-CG 3.45Å; Q242-R246 PolarHBondContact O-N 3.1Å; Q243-R246 PolarHBondContact O-N 3.27Å; R244-R246 VanDerWaalsContact C-N 3.34Å; R244-R246 PolarHBondContact O-N 2.97Å; R246-I248 PolarHBondContact O-N 3.32Å; R246-R249 PolarHBondContact O-N 3.34Å; R246-Q250 WeakPolarHBondContact O-CG 3.26Å; R246-Q250 PolarHBondContact O-N 2.85Å
247L83.4Confident79.1Confident96 Ų9690.5 Ų90.550%0.50341%0.409SS..Hα-helixtrans-60.6-41.8179.1-71.2169.7000112.8Q243 R244 Q250 S251Q243-L247 WeakPolarHBondContact O-CG 3.26Å; Q243-L247 PolarHBondContact O-N 2.85Å; R244-L247 PolarHBondContact O-N 3.46Å; L247-Q250 PolarHBondContact O-N 3.39Å; L247-S251 WeakPolarHBondContact O-CB 3.45Å; L247-S251 PolarHBondContact O-N 3.49Å
248I75.2Confident77.5Confident51 Ų5192.7 Ų92.726%0.26242%0.424SS..Hα-helixtrans-74-29.6179.4-70.6164.9000112R244 R246 R252 E826R244-I248 WeakPolarHBondContact O-CB 3.29Å; R244-I248 WeakPolarHBondContact O-CG1 3.46Å; R244-I248 PolarHBondContact O-N 2.9Å; R246-I248 PolarHBondContact O-N 3.32Å; I248-R252 PolarHBondContact O-N 2.97Å; I248-R252 VanDerWaalsContact O-N 3.16Å; I248-E826 WeakPolarHBondContact CD1-OE2 3.3Å
249R77.6Confident75.9Confident163 Ų16390.3 Ų90.362%0.61542%0.416SS*.Hα-helixtrans-68.4-39.4168.6-75.7172.1172.9-177.7-3.9111.5T245 R246 R253T245-R249 WeakPolarHBondContact O-CB 3.4Å; T245-R249 VanDerWaalsContact O-CG 3.26Å; T245-R249 WeakPolarHBondContact O-CG 3.42Å; T245-R249 PolarHBondContact O-N 2.71Å; T245-R249 VanDerWaalsContact O-N 3.12Å; R246-R249 PolarHBondContact O-N 3.34Å; R249-R253 WeakPolarHBondContact O-CG 3.27Å; R249-R253 PolarHBondContact O-N 2.94Å
250Q80.3Confident74.2Confident108 Ų10889.2 Ų89.251%0.50542%0.416SS..Hα-helixtrans-66.5-46.8174.7-74.4170.4-4000111.8R246 L247 R252 R253 I254R246-Q250 WeakPolarHBondContact O-CG 3.26Å; R246-Q250 PolarHBondContact O-N 2.85Å; L247-Q250 PolarHBondContact O-N 3.39Å; Q250-R252 VanDerWaalsContact C-N 3.34Å; Q250-R252 PolarHBondContact O-N 2.87Å; Q250-R253 WeakPolarHBondContact O-CB 3.33Å; Q250-R253 PolarHBondContact O-N 3.09Å; Q250-R253 VanDerWaalsContact O-N 3.13Å; Q250-I254 WeakPolarHBondContact O-CG1 3.45Å; Q250-I254 PolarHBondContact O-N 3.31Å
251S73.1Confident72.3Confident63 Ų6392 Ų9244%0.44143%0.428SS..Hα-helixtrans-57.2-43.8176.9170.60000112.1L247 I254 H255L247-S251 WeakPolarHBondContact O-CB 3.45Å; L247-S251 PolarHBondContact O-N 3.49Å; S251-I254 PolarHBondContact O-N 2.93Å; S251-H255 PolarHBondContact O-N 2.95Å
252R68.8Low70Confident101 Ų10194.9 Ų94.938%0.38145%0.449SS..Hα-helixtrans-66.9-38.6173.4-81.1-174.8-78.6-169.9-16.8113.9I248 Q250 I254 H255 N256 E823I248-R252 PolarHBondContact O-N 2.97Å; I248-R252 VanDerWaalsContact O-N 3.16Å; Q250-R252 VanDerWaalsContact C-N 3.34Å; Q250-R252 PolarHBondContact O-N 2.87Å; R252-I254 VanDerWaalsContact C-N 3.3Å; R252-I254 PolarHBondContact O-N 2.95Å; R252-H255 PolarHBondContact O-N 3.41Å; R252-N256 WeakPolarHBondContact O-CB 3.24Å; R252-N256 VanDerWaalsContact O-CG 3.28Å; R252-N256 PolarHBondContact O-N 2.96Å; R252-N256 PolarHBondContact O-OD1 3.04Å; R252-N256 VanDerWaalsContact O-OD1 3.08Å; R252-E823 IonicContact CZ-OE1 3.62Å; R252-E823 IonicContact CZ-OE2 3.32Å; R252-E823 IonicContact NH1-OE1 2.78Å; R252-E823 PolarHBondContact NH1-OE1 3.28Å; R252-E823 IonicContact NH1-OE2 2.56Å; R252-E823 PolarHBondContact NH1-OE2 2.91Å; R252-E823 IonicContact NH2-OE1 3.51Å; R252-E823 PolarHBondContact NH2-OE1 3.33Å; R252-E823 IonicContact NH2-OE2 2.87Å; R252-E823 PolarHBondContact NH2-OE2 3.38Å; R252-E823 VanDerWaalsContact NH2-OE2 3.13Å
253R69.8Low67.7Low194 Ų19498.1 Ų98.173%0.73247%0.466SS*.Hα-helixtrans-60.3-41.4172.5-76.5176.5178-173-1.9111.8R249 Q250 K257R249-R253 WeakPolarHBondContact O-CG 3.27Å; R249-R253 PolarHBondContact O-N 2.94Å; Q250-R253 WeakPolarHBondContact O-CB 3.33Å; Q250-R253 PolarHBondContact O-N 3.09Å; Q250-R253 VanDerWaalsContact O-N 3.13Å; R253-K257 VanDerWaalsContact O-CB 3.27Å; R253-K257 WeakPolarHBondContact O-CB 3.29Å; R253-K257 PolarHBondContact O-N 3.31Å
254I72.5Confident65.6Low118 Ų11897.5 Ų97.561%0.60547%0.465SS*.Hα-helixtrans-67.1-47.2176.7-66164.2000110.3Q250 S251 R252 N256 K257 S258Q250-I254 WeakPolarHBondContact O-CG1 3.45Å; Q250-I254 PolarHBondContact O-N 3.31Å; S251-I254 PolarHBondContact O-N 2.93Å; R252-I254 VanDerWaalsContact C-N 3.3Å; R252-I254 PolarHBondContact O-N 2.95Å; I254-N256 PolarHBondContact O-N 3.5Å; I254-K257 PolarHBondContact O-N 2.88Å; I254-S258 PolarHBondContact O-N 2.79Å; I254-S258 PolarHBondContact O-OG 3.29Å
255H65.7Low63.8Low57 Ų57100.4 Ų100.426%0.26449%0.485SS..Hα-helixtrans-61.4-46.4-179.9-170.844.5000112.1S251 R252 K257 S258 L259 N816S251-H255 PolarHBondContact O-N 2.95Å; R252-H255 PolarHBondContact O-N 3.41Å; H255-K257 VanDerWaalsContact C-N 3.33Å; H255-K257 PolarHBondContact O-N 3.37Å; H255-S258 WeakPolarHBondContact CA-OG 3.46Å; H255-S258 PolarHBondContact O-N 2.91Å; H255-S258 PolarHBondContact O-OG 3.43Å; H255-L259 PolarHBondContact O-N 3.24Å; H255-N816 PolarHBondContact NE2-ND2 3Å
256N62.7Low62.1Low104 Ų104106.1 Ų106.156%0.55651%0.509SS*.Hα-helixtrans-62.9-38.2176-69.527.1000111.9R252 I254 L260R252-N256 WeakPolarHBondContact O-CB 3.24Å; R252-N256 VanDerWaalsContact O-CG 3.28Å; R252-N256 PolarHBondContact O-N 2.96Å; R252-N256 PolarHBondContact O-OD1 3.04Å; R252-N256 VanDerWaalsContact O-OD1 3.08Å; I254-N256 PolarHBondContact O-N 3.5Å; N256-L260 WeakPolarHBondContact O-CB 3.42Å; N256-L260 PolarHBondContact O-N 3.46Å; N256-L260 VanDerWaalsContact O-N 3.09Å
257K64.8Low59.9Low116 Ų116105.9 Ų105.950%0.50451%0.514SS..Hα-helixtrans-67.2-43.4175.3-172.7174.6177-750111.7R253 I254 H255 L259 L260 E261R253-K257 VanDerWaalsContact O-CB 3.27Å; R253-K257 WeakPolarHBondContact O-CB 3.29Å; R253-K257 PolarHBondContact O-N 3.31Å; I254-K257 PolarHBondContact O-N 2.88Å; H255-K257 VanDerWaalsContact C-N 3.33Å; H255-K257 PolarHBondContact O-N 3.37Å; K257-L259 PolarHBondContact O-N 2.99Å; K257-L260 PolarHBondContact O-N 2.96Å; K257-E261 HydrophobicContact CG-CG 4.47Å; K257-E261 IonicContact NZ-OE1 3.2Å; K257-E261 PolarHBondContact NZ-OE1 3.44Å; K257-E261 IonicContact NZ-OE2 3.77Å; K257-E261 PolarHBondContact NZ-OE2 3.39Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 3.05Å
258S58.2Low57.4Low46 Ų46109.6 Ų109.632%0.32253%0.526SS..Hα-helixtrans-65.1-36.2176.3570000113I254 H255 E261 C262I254-S258 PolarHBondContact O-N 2.79Å; I254-S258 PolarHBondContact O-OG 3.29Å; H255-S258 WeakPolarHBondContact CA-OG 3.46Å; H255-S258 PolarHBondContact O-N 2.91Å; H255-S258 PolarHBondContact O-OG 3.43Å; S258-E261 PolarHBondContact O-N 3.23Å; S258-C262 WeakPolarHBondContact O-CB 3.47Å; S258-C262 PolarHBondContact O-N 3.3Å; S258-C262 PolarHBondContact O-SG 2.9Å
259L57Low55.4Low73 Ų73113 Ų11338%0.38255%0.552SS.*Hα-helixtrans-63.3-44.9172.6-87.8163.9000111.2H255 K257 C262 M263H255-L259 PolarHBondContact O-N 3.24Å; K257-L259 PolarHBondContact O-N 2.99Å; L259-C262 PolarHBondContact O-N 3.25Å; L259-M263 VanDerWaalsContact O-CG 3.32Å; L259-M263 WeakPolarHBondContact O-CG 3.32Å; L259-M263 PolarHBondContact O-N 2.66Å
260L53.5Low53Low104 Ų104111.8 Ų111.855%0.54556%0.557SS.*Hα-helixtrans-63.5-41.3177.1-16967.2000112N256 K257 M263 I264N256-L260 WeakPolarHBondContact O-CB 3.42Å; N256-L260 PolarHBondContact O-N 3.46Å; N256-L260 VanDerWaalsContact O-N 3.09Å; K257-L260 PolarHBondContact O-N 2.96Å; L260-M263 PolarHBondContact O-N 2.96Å; L260-I264 HydrophobicContact CG-CD1 4.05Å; L260-I264 WeakPolarHBondContact O-CD1 3.34Å; L260-I264 VanDerWaalsContact O-CG1 3.27Å; L260-I264 WeakPolarHBondContact O-CG1 3.3Å; L260-I264 PolarHBondContact O-N 3.49Å
261E51.2Low50.6Low91 Ų91114 Ų11443%0.42557%0.572SS.*Hα-helixtrans-67.7-39.7177-71.9176.3139.500112.2K257 S258 M263 I264 I265K257-E261 HydrophobicContact CG-CG 4.47Å; K257-E261 IonicContact NZ-OE1 3.2Å; K257-E261 PolarHBondContact NZ-OE1 3.44Å; K257-E261 IonicContact NZ-OE2 3.77Å; K257-E261 PolarHBondContact NZ-OE2 3.39Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 3.05Å; S258-E261 PolarHBondContact O-N 3.23Å; E261-M263 VanDerWaalsContact C-N 3.33Å; E261-M263 PolarHBondContact O-N 3.08Å; E261-I264 PolarHBondContact O-N 3Å; E261-I265 WeakPolarHBondContact O-CD1 3.28Å; E261-I265 VanDerWaalsContact O-CG1 3.29Å; E261-I265 WeakPolarHBondContact O-CG1 3.19Å; E261-I265 PolarHBondContact O-N 2.94Å; E261-I265 VanDerWaalsContact O-N 3.1Å
262C37.2Very low48.6Very low84 Ų84120 Ų12057%0.56859%0.593SS**Hα-helixtrans-64.9-33.3172.9-72.30000113.1S258 L259S258-C262 WeakPolarHBondContact O-CB 3.47Å; S258-C262 PolarHBondContact O-N 3.3Å; S258-C262 PolarHBondContact O-SG 2.9Å; L259-C262 PolarHBondContact O-N 3.25Å
263M39Very low46.7Very low130 Ų130124.8 Ų124.864%0.6462%0.62SS**Hα-helixtrans-68-45.6173.3-70.8173.369.800111.4L259 L260 E261 I265 H266L259-M263 VanDerWaalsContact O-CG 3.32Å; L259-M263 WeakPolarHBondContact O-CG 3.32Å; L259-M263 PolarHBondContact O-N 2.66Å; L260-M263 PolarHBondContact O-N 2.96Å; E261-M263 VanDerWaalsContact C-N 3.33Å; E261-M263 PolarHBondContact O-N 3.08Å; M263-I265 VanDerWaalsContact C-N 3.3Å; M263-I265 PolarHBondContact O-N 3.43Å; M263-H266 PolarHBondContact O-N 3.27Å
264I42.1Very low44.9Very low102 Ų102120.3 Ų120.352%0.52362%0.618SS.*Hα-helixtrans-64-32.2-179.1-69.3163.6000112.5L260 E261 H266 E267L260-I264 HydrophobicContact CG-CD1 4.05Å; L260-I264 WeakPolarHBondContact O-CD1 3.34Å; L260-I264 VanDerWaalsContact O-CG1 3.27Å; L260-I264 WeakPolarHBondContact O-CG1 3.3Å; L260-I264 PolarHBondContact O-N 3.49Å; E261-I264 PolarHBondContact O-N 3Å; I264-H266 VanDerWaalsContact C-N 3.28Å; I264-H266 PolarHBondContact O-N 2.89Å; I264-E267 PolarHBondContact O-N 3.34Å
265I45.1Very low42.8Very low132 Ų132122 Ų12268%0.67763%0.627SS**Hα-helixtrans-67.1-29.1178.3-71.4164.2000112.1E261 M263E261-I265 WeakPolarHBondContact O-CD1 3.28Å; E261-I265 VanDerWaalsContact O-CG1 3.29Å; E261-I265 WeakPolarHBondContact O-CG1 3.19Å; E261-I265 PolarHBondContact O-N 2.94Å; E261-I265 VanDerWaalsContact O-N 3.1Å; M263-I265 VanDerWaalsContact C-N 3.3Å; M263-I265 PolarHBondContact O-N 3.43Å
266H42.5Very low41.1Very low150 Ų150125.4 Ų125.469%0.69465%0.647SS**THydrogen-bonded Turntrans-87.2-4.2-178-122.2-69.4000114.3M263 I264M263-H266 PolarHBondContact O-N 3.27Å; I264-H266 VanDerWaalsContact C-N 3.28Å; I264-H266 PolarHBondContact O-N 2.89Å
267E39.2Very low39.5Very low140 Ų140128 Ų12865%0.65465%0.653SS**  trans-111.823.6-171.3-153.2179.4-166.200112.8I264 P269I264-E267 PolarHBondContact O-N 3.34Å; E267-P269 WeakPolarHBondContact O-CD 3.49Å
268K30.6Very low38Very low174 Ų174129.7 Ų129.776%0.75767%0.668SS**  trans-91.7109.1170.6-84.2-168.2172-1710110.9L270K268-L270 PolarHBondContact O-N 2.96Å
269P31.8Very low36.8Very low123 Ų123135.2 Ų135.280%0.79969%0.693SS**  trans-70.7124.9171.329-33.1000110.3E267E267-P269 WeakPolarHBondContact O-CD 3.49Å
270L27.9Very low35.4Very low137 Ų137139.6 Ų139.672%0.71772%0.716SS**  trans-86.7104.1159.7-78.188.7000108K268K268-L270 PolarHBondContact O-N 2.96Å
271N29.4Very low34.6Very low154 Ų154140.4 Ų140.482%0.82473%0.726SS**  trans-162.2100.2161.2-130.47.4000110.8
272E31.4Very low33.6Very low191 Ų191143.3 Ų143.389%0.89374%0.742SS**  trans172.668.6150.7-100-177.5159.700110.2
273Q29.2Very low33.4Very low200 Ų200144 Ų14494%0.93575%0.746SS**  trans-142.971.7163.4-80.2-159.4-27.400110.5
274S31.4Very low32.9Very low100 Ų100144.6 Ų144.670%0.69975%0.752SS**  trans-149.296.1168.959.30000111.4
275I28.1Very low32.4Very low155 Ų155146.1 Ų146.180%0.79577%0.766SS**  trans41111.2132.3-54.2156.8000116.1
276D30.9Very low31.6Very low128 Ų128144.5 Ų144.568%0.68477%0.766SS**  -151.2176.2109.3-134.8-33.7000113.5
277K29.5Very low31.1Very low157 Ų157143.9 Ų143.968%0.68377%0.773SS**  trans-78.7172-164.2-56.3144.8-162.896.80112.8
278N31.9Very low30.5Very low152 Ų152141.7 Ų141.781%0.81377%0.773SS**  trans94.178.1169.3-49.5-30.4000117.6
279L33.2Very low30.5Very low162 Ų162140.5 Ų140.585%0.84877%0.774SS**  -161.896.6114.9-13568.5000112.5
280L27.9Very low30.3Very low166 Ų166141.8 Ų141.887%0.86977%0.773SS**  trans-96.887.5170.5-100167.6000109.9
281T36.2Very low30.3Very low121 Ų121140.6 Ų140.674%0.74278%0.776SS**  trans-145.593.5168.738.30000112
282I31.3Very low30.3Very low151 Ų151138.1 Ų138.177%0.77477%0.771SS**  trans-79.2173.5155.6-1.2178.3000107.7
283P32.9Very low30Very low98 Ų98137 Ų13764%0.63677%0.768SS**  cis-142.2179.3-3.235.9-12.9000117.8
284N28.2Very low30Very low144 Ų144133.5 Ų133.577%0.7776%0.76SS**  trans48.6122.4145.6-59-10.3000123.3
285T32.7Very low30Very low133 Ų133134.3 Ų134.382%0.81676%0.761SS**  179.5129.7121.623.80000108
286S27.2Very low30.1Very low98 Ų98132.7 Ų132.769%0.68576%0.759SS**  84.2129.262.7-60.70000114.2
287T31.2Very low30Very low138 Ų138135.8 Ų135.885%0.84777%0.766SS**  trans60.9157.5167.8490000118.3
288S27.2Very low29.9Very low93 Ų93133.4 Ų133.465%0.6577%0.767SS**  cis-171.8-179.4-32.558.40000108.3
289L30.4Very low29.7Very low149 Ų149133.5 Ų133.578%0.7877%0.766SS**  trans71.9122.8177.4-49.4173000114.2
290I27.9Very low29.4Very low150 Ų150133.3 Ų133.377%0.76977%0.765SS**  cis86.7132.941.6-61.9172.3000112.6
291S29Very low29.4Very low112 Ų112131.2 Ų131.278%0.78376%0.759SS**  trans72.3140.2-178.7-68.30000116.5
292S28.7Very low29.1Very low103 Ų103131.5 Ų131.572%0.7276%0.756SS**  cis-158.3147.6-10.144.60000113.2
293M26Very low29Very low168 Ų168132.4 Ų132.483%0.82876%0.76SS**  trans41.7132146.1-67.8-174.1170.200122.2
294T28.8Very low28.7Very low125 Ų125136.3 Ų136.377%0.76777%0.767SS**  trans66.6132.1147.355.10000118.2
295T30.6Very low28.6Very low118 Ų118136.4 Ų136.472%0.72477%0.766SS**  cis-153.8160.98.3-11.20000112.9
296T30.9Very low28.5Very low121 Ų121134.5 Ų134.574%0.74276%0.764SS**  trans61.179158.9490000120.3
297K27.6Very low28.5Very low192 Ų192135 Ų13584%0.83576%0.763SS**  49.9100.4127.9-62.2-178.9178.1179.90120.1
298P29.1Very low28.6Very low108 Ų108136.4 Ų136.470%0.70177%0.765SS**  -79.7-169.5125.137-32.8000111.1
299I26.6Very low28.8Very low154 Ų154136.4 Ų136.479%0.7977%0.771SS**  trans81.1118.3161.9-60.8167.6000118.5
300L27.2Very low28.9Very low158 Ų158134.6 Ų134.683%0.82777%0.768SS**  trans40.7109.2142-158.174.8000120.9
301T27.4Very low29Very low122 Ų122132.6 Ų132.675%0.74877%0.767SS**  trans-152.1147.315149.20000109.6
302N31.2Very low29Very low127 Ų127131.9 Ų131.968%0.67976%0.762SS**  cis-151121.7-17.4-98.1-23.5000108.4
303I27.5Very low29Very low169 Ų169134.2 Ų134.287%0.86777%0.767SS**  trans-81.2127.4147.6-65.1172.3000105
304K27.3Very low29.2Very low180 Ų180131.2 Ų131.278%0.78376%0.762SS**  trans-144.3107.4171.5-164.8167.1-174.2-179.10111.4
305I26.5Very low29.1Very low146 Ų146132.5 Ų132.575%0.74976%0.763SS**  trans-73145.9161.6-62.1168000107.4V307I305-V307 HydrophobicContact CG2-CG2 4.41Å
306A29.5Very low29.3Very low94 Ų94134.5 Ų134.578%0.77777%0.767SS**  trans-146.6106.9167.300000108.3
307V27.8Very low29.2Very low107 Ų107134.8 Ų134.865%0.64876%0.76SS**  trans-118.9128.1166.9173.70000105.5I305I305-V307 HydrophobicContact CG2-CG2 4.41Å
308D33.4Very low29.4Very low169 Ų169132.5 Ų132.590%0.90475%0.752SS**  trans-153145.3164.1-92.2-50.4000108.2
309A32.2Very low29.4Very low92 Ų92134 Ų13476%0.7675%0.748SS**  trans-107.2-153.8-176.400000109.2
310P32.9Very low29.5Very low111 Ų111135.6 Ų135.672%0.72175%0.745SS**  cis-136.6-164.63.443.9-24.8000115
311S29.1Very low29.4Very low108 Ų108134 Ų13476%0.75574%0.735SS**  trans73.1146.4158.971.20000119
312S29.6Very low29.4Very low97 Ų97135.1 Ų135.168%0.67874%0.735SS**  cis-170.4145.5-16.649.70000113.9
313N27.1Very low29.2Very low153 Ų153134.9 Ų134.982%0.81873%0.734SS**  trans71.3157.7145.3-64.5-7.7000123.5
314S30.7Very low29.2Very low105 Ų105132.3 Ų132.373%0.73472%0.722SS**  trans73.8111.5-178.363.90000116
315I27.8Very low29.2Very low151 Ų151129.9 Ų129.977%0.77472%0.717SS**  cis70.111644.7-48.4163.3000109.3
316I33.4Very low29.3Very low161 Ų161129 Ų12983%0.82671%0.714SS**  -147.2156.578.7-79.2168.9000113.3
317H29.3Very low29.1Very low127 Ų127130.7 Ų130.759%0.58871%0.71SS**  trans-35.4175.7162.8-78.9-157.1000117.6
318E32Very low29.1Very low144 Ų144133.5 Ų133.567%0.67372%0.716SS**  cis-139.1-146.821.6-149.8106.8-142.400115.9
319K28.3Very low28.8Very low140 Ų140133.6 Ų133.661%0.60971%0.708SS**  -168.5-166.6-121.5-167.7177.1177.8-1780112.4
320Y28.9Very low28.7Very low186 Ų186134.9 Ų134.973%0.72971%0.707SS**  trans72.4143.7178.4-75.2-104000116.2
321M26.8Very low28.4Very low126 Ų126137.5 Ų137.562%0.62172%0.715SS**  cis-177153.9-27.3-111.3-40.5-167.300108.4
322I27.2Very low28.4Very low145 Ų145135.7 Ų135.774%0.74471%0.713SS**  trans58.3145.7141.3-68.5165.7000119.5
323N26.8Very low28.2Very low122 Ų122139.9 Ų139.965%0.65272%0.724SS**  cis-173.1168-23.1-172.320.2000108.7
324N26.8Very low28.2Very low114 Ų114139.6 Ų139.661%0.6172%0.721SS**  trans59.9108.9151.6-89.7-9000121.8
325N27.9Very low28.1Very low130 Ų130142.5 Ų142.570%0.69572%0.723SS**  65.5146.2111.9-75-12.8000124.1
326N27.7Very low28Very low128 Ų128143.7 Ų143.768%0.68473%0.725SS**  trans85.3102.5150.1-64.4-16.6000121.1
327N26Very low27.7Very low129 Ų129141 Ų14169%0.6972%0.72SS**  75.2146.1126-64.1-22.9000121.9
328H27.7Very low27.5Very low166 Ų166142.6 Ų142.677%0.76973%0.726SS**  trans70.6153.2157.2-66.6-24.6000118
329K26Very low27.3Very low170 Ų170145.2 Ų145.274%0.73973%0.731SS**  cis-168.2175.2-32.9-147.3177.6-174.6-178.80107
330T30.4Very low27.3Very low120 Ų120142.7 Ų142.774%0.73673%0.731SS**  trans67.3147.7172.464.70000115.8
331N26.1Very low27.3Very low166 Ų166138.9 Ų138.989%0.88873%0.732SS**  cis125.5138.8-1.3-79.317.6000111.1
332G30.3Very low27.3Very low70 Ų70139.4 Ų139.472%0.72273%0.734SS**  trans115.5102.3-170.200000110.3
333M25.2Very low27.4Very low185 Ų185142.6 Ų142.691%0.91174%0.739SS**  cis71.5113.317.9-164.5-175.8-169.700115
334I27.6Very low27.6Very low146 Ų146140.2 Ų140.275%0.74974%0.743SS**  trans177.9128.9141.5-95.5155.8000112
335Q28Very low27.7Very low166 Ų166140.7 Ų140.778%0.77676%0.755SS**  trans52.2126.5153.2-67.8164-16.300121.1
336H25.8Very low28.1Very low176 Ų176139.7 Ų139.782%0.81576%0.755SS**  63.6133.168.7-73.6-121.9000112.7
337S26.6Very low28.2Very low104 Ų104138.7 Ų138.773%0.72776%0.758SS**  cis-168.6-172.523.766.60000109.2
338F26.5Very low28.4Very low162 Ų162141.1 Ų141.171%0.71177%0.766SS**  cis-169.5155.3-9.9-123.1-162.9000111.2
339Y26.9Very low28.6Very low199 Ų199139 Ų13978%0.7877%0.77SS**  trans60.8167.7151.7-83.9-121.1000122.6
340S28.1Very low28.6Very low86 Ų86136.5 Ų136.560%0.60177%0.774SS**  cis-175.8139.9-49.1-167.80000113.7
341S27.9Very low28.6Very low107 Ų107136.7 Ų136.775%0.74878%0.775SS**  trans64.2172.8156.375.40000118.6
342M27.4Very low28.5Very low137 Ų137139.9 Ų139.968%0.67578%0.776SS**  cis-159.6170.610-157168.5-177.800112.9
343Y30.7Very low28.3Very low212 Ų212140.8 Ų140.883%0.83177%0.771SS**  trans70.1152.8171.6-53.4-77.4000118.2
344G29.9Very low28.4Very low72 Ų72141.9 Ų141.974%0.74277%0.767SS**  cis-179.8150-6.600000112.1
345S29.6Very low28.4Very low124 Ų124138.5 Ų138.587%0.86776%0.756SS**  trans-109.1-169.9-172.4-57.10000111.7
346P35Very low28.3Very low108 Ų108140 Ų14070%0.70176%0.756SS**  cis-144.2-179.95.741.8-20.3000118.7
347S29.8Very low28.4Very low107 Ų107141.6 Ų141.675%0.74876%0.756SS**  trans52.9149.4147.657.70000121.8
348E30.7Very low28.4Very low181 Ų181147.4 Ų147.485%0.84676%0.764SS**  cis-139.1163.112.8-67.1-173.9128.300113.3
349S32.7Very low28.5Very low122 Ų122145 Ų14585%0.85377%0.766SS**  trans150.7133.6133.358.50000112.5
350S25.4Very low28.7Very low117 Ų117140 Ų14082%0.81876%0.76SS**  trans-84.9126.5-164.158.10000114.5
351T30.3Very low28.8Very low124 Ų124142.5 Ų142.576%0.76177%0.772SS**  trans-146.6122.6160.3-67.30000109.6S353T351-S353 PolarHBondContact O-N 2.97Å
352Y24.6Very low29Very low233 Ų233143 Ų14391%0.91477%0.773SS**  trans-66.894.9-179.9-74.4-85.1000112.4
353S26.8Very low29.1Very low88 Ų88142.8 Ų142.862%0.61578%0.78SS**  trans-110.2116166.553.90000110.5T351 S355T351-S353 PolarHBondContact O-N 2.97Å; S353-S355 PolarHBondContact O-N 3.49Å
354Y25.5Very low29.2Very low209 Ų209138.7 Ų138.782%0.8278%0.781SS**  trans-71.676.9167.2-86.9-84.7000110.3Y356Y354-Y356 PolarHBondContact O-N 3.48Å
355S27.4Very low29.3Very low75 Ų75141.1 Ų141.152%0.52479%0.787SS.*  trans-83.895.3170.6-63.70000109S353 Y357S353-S355 PolarHBondContact O-N 3.49Å; S355-Y357 VanDerWaalsContact C-N 3.3Å; S355-Y357 PolarHBondContact O-N 3.47Å
356Y27.5Very low29.5Very low196 Ų196141.2 Ų141.277%0.76979%0.786SS**  trans-69.390.9166.3-80.7-86000109.1Y354 Y358Y354-Y356 PolarHBondContact O-N 3.48Å; Y356-Y358 PolarHBondContact O-N 2.72Å
357Y26.5Very low29.4Very low211 Ų211142.8 Ų142.883%0.82779%0.794SS**  trans-67.2119.1161.2-80.8-94.1000108.1S355 C359S355-Y357 VanDerWaalsContact C-N 3.3Å; S355-Y357 PolarHBondContact O-N 3.47Å; Y357-C359 PolarHBondContact O-N 2.94Å
358Y28.3Very low29.7Very low226 Ų226143.5 Ų143.589%0.88680%0.798SS**  trans-73.1105.1166.2-87-95.8000107.8Y356 S360Y356-Y358 PolarHBondContact O-N 2.72Å; Y358-S360 PolarHBondContact O-N 2.68Å; Y358-S360 VanDerWaalsContact O-N 3.1Å
359C28.6Very low29.8Very low112 Ų112139.5 Ų139.576%0.75779%0.788SS**  trans-66.7105.9161.8-167.60000107.5Y357Y357-C359 PolarHBondContact O-N 2.94Å
360S30Very low29.9Very low93 Ų93140.6 Ų140.665%0.6579%0.793SS**  trans-60.6145.8161.845.60000109.4Y358Y358-S360 PolarHBondContact O-N 2.68Å; Y358-S360 VanDerWaalsContact O-N 3.1Å
361T30.7Very low30.2Very low139 Ų139139.7 Ų139.785%0.85379%0.785SS**SBendtrans52.678.9170.459.60000116.8
362C30.8Very low30.3Very low116 Ų116137.6 Ų137.678%0.78479%0.788SS**  trans-150.5134.1142.3-162.70000110.1
363T30.5Very low30.7Very low134 Ų134135.2 Ų135.282%0.82279%0.785SS**  trans-135.993.5-173.249.40000111.4
364C32.9Very low30.9Very low125 Ų125139.2 Ų139.285%0.84579%0.794SS**  trans-139.9138.5166.2-92.10000110
365S31.6Very low31.1Very low124 Ų124135.1 Ų135.187%0.86780%0.795SS**  trans-113.988.3-169.7-62.40000110.5
366C33.7Very low31.3Very low126 Ų126139 Ų13985%0.85180%0.804SS**  trans-130110.4173.9-73.60000109.9
367T33.4Very low31.4Very low141 Ų141135.6 Ų135.687%0.86581%0.808SS**  trans-109.686178.249.60000110.3
368C36.4Very low31.6Very low122 Ų122133.9 Ų133.982%0.82481%0.805SS**  trans-147.2143170.3-91.90000112.5
369C31.8Very low31.6Very low96 Ų96131.7 Ų131.765%0.64980%0.802SS**  trans40114.9160.7-65.90000121.3C371C369-C371 PolarHBondContact O-N 2.71Å
370P34.6Very low31.6Very low146 Ų146133.5 Ų133.595%0.94880%0.804SS**  trans-8281159.134.9-32000110.8
371C32.1Very low31.6Very low97 Ų97134.6 Ų134.666%0.65581%0.807SS**  trans-133126170.152.50000109.7C369 H373C369-C371 PolarHBondContact O-N 2.71Å; C371-H373 PolarHBondContact O-N 3.43Å
372G32.7Very low31.4Very low80 Ų80134.6 Ų134.683%0.82581%0.807SS**  trans-86.366.6-163.200000115.5
373H33.1Very low31.3Very low183 Ų183134.6 Ų134.685%0.84780%0.803SS**SBendtrans-137.4162.7164.3-84.1-75.5000111.2C371C371-H373 PolarHBondContact O-N 3.43Å
374E30.9Very low31.1Very low172 Ų172133.7 Ų133.780%0.80480%0.798SS**  trans-81.5138.8-162.3-60.8167.5127.700113.4
375C29.9Very low30.7Very low124 Ų124133.9 Ų133.984%0.83880%0.795SS**  trans-123.6103.4168.5-78.50000109.9
376H32.3Very low30.7Very low156 Ų156133.7 Ų133.772%0.72279%0.789SS**  trans-74120.5169.7-87.2-119000110.7F378H376-F378 PolarHBondContact O-N 3.08Å
377C29.6Very low30.5Very low125 Ų125133.7 Ų133.785%0.84579%0.785SS**  trans-86.699.9166.3-70.30000110
378F28.8Very low30.6Very low174 Ų174132.8 Ų132.876%0.76378%0.782SS**  trans-71.3128.8170.9-107.5-99.4000111H376 L380H376-F378 PolarHBondContact O-N 3.08Å; F378-L380 HydrophobicContact CB-CD1 4.42Å; F378-L380 HydrophobicContact CD1-CD1 4.37Å
379H29.2Very low30.5Very low180 Ų180132.3 Ų132.383%0.83378%0.777SS**  trans-77.9119.1163.1-101.8-99.1000109.3
380L28.3Very low30.5Very low150 Ų150135.4 Ų135.479%0.78579%0.786SS**  trans-107.1113.9163.6-105.471.9000109.6F378F378-L380 HydrophobicContact CB-CD1 4.42Å; F378-L380 HydrophobicContact CD1-CD1 4.37Å
381T29.9Very low30.3Very low117 Ų117133.1 Ų133.172%0.71877%0.774SS**  trans-75.3137162.8370000110.2
382T26.2Very low30.1Very low139 Ų139134 Ų13485%0.85378%0.777SS**  trans-75.5120.917844.80000112.6
383T28.5Very low29.9Very low116 Ų116135.8 Ų135.871%0.71277%0.771SS**  trans-151.4114.3156.8-6.40000112.2
384T26.9Very low29.6Very low115 Ų115132.4 Ų132.471%0.70676%0.764SS**  trans50.4116.1144.852.50000122.2
385T25.7Very low29.4Very low128 Ų128130 Ų13079%0.78576%0.761SS**  trans84.5148.8131.251.70000123.6
386T30.5Very low29.4Very low121 Ų121129.2 Ų129.274%0.74275%0.753SS**  trans76.290.4156.839.50000122.5
387T30.7Very low29.4Very low126 Ų126128 Ų12877%0.77375%0.751SS**  57.7124.9123.3530000123.5
388P35.1Very low29.5Very low122 Ų122128.5 Ų128.579%0.79275%0.746SS**  trans-94.8177.1164.141.3-35.8000112.9
389P34.7Very low29.8Very low112 Ų112125.3 Ų125.373%0.72774%0.736SS**  -159.6169.2100.141.5-22.8000118.8
390L30.3Very low30Very low161 Ų161123.9 Ų123.984%0.84373%0.728SS**  trans61.5168.3154.2-97.462.5000118
391S30.5Very low30.2Very low97 Ų97123.2 Ų123.268%0.67873%0.725SS**  cis-168.8168.4-4.838.60000109.7
392T28.9Very low30.4Very low117 Ų117122.7 Ų122.772%0.71872%0.722SS**  cis-167.8163.3-27.236.20000111
393T27.1Very low30.6Very low116 Ų116122.8 Ų122.871%0.71272%0.717SS**  trans71.8126.7142.7460000125.8
394T27Very low30.8Very low113 Ų113122.7 Ų122.769%0.69372%0.717SS**  85.8127.7128.251.90000126.4
395T28.2Very low31Very low120 Ų120123.3 Ų123.374%0.73672%0.716SS**  trans70.3148.6135.159.20000120.2
396T29Very low31.2Very low109 Ų109121.5 Ų121.567%0.66971%0.708SS**  cis-167.7166.8-0.613.60000113.6
397N32.3Very low31.2Very low130 Ų130121.9 Ų121.970%0.69571%0.711SS**  trans81.5131.6143.7-71.5-2.9000123.8
398N32.4Very low31Very low135 Ų135120.6 Ų120.672%0.72271%0.712SS**  trans72.3151.9144.4-59.40.2000118.5
399D34.2Very low30.7Very low107 Ų107124.5 Ų124.557%0.57272%0.72SS**  cis-154152.320.3-138.4-12000115
400K33.7Very low30.4Very low150 Ų150129.8 Ų129.865%0.65273%0.726SS**  trans53.8122.9149.4-75.2151.1-163.8151.50125
401N32.6Very low30.2Very low137 Ų137126.6 Ų126.673%0.73371%0.709SS**  74144.1124-63.18000120.6
402T33.5Very low30.2Very low105 Ų105126.5 Ų126.564%0.64471%0.709SS**  cis-162.1153.9-5.8150000109.8
403N31.3Very low30.1Very low141 Ų141130.5 Ų130.575%0.75471%0.711SS**  trans35.4145.8139.7-54.28.1000120.5
404T32.9Very low30.1Very low115 Ų115133.3 Ų133.371%0.70672%0.716SS**  cis-175.4168.9-1.223.10000105.5
405D31Very low30.1Very low128 Ų128135.5 Ų135.568%0.68472%0.72SS**  cis-154.4133.50.4-119.3-49.1000106.8
406S28.6Very low30.3Very low90 Ų90138 Ų13863%0.62972%0.723SS**  67.9137.999.175.70000119.4
407T30.7Very low30.6Very low129 Ų129138.1 Ų138.179%0.79172%0.719SS**  trans46.6114.7163.1500000119.8
408A27.6Very low30.5Very low98 Ų98139 Ų13981%0.8172%0.723SS**  cis82.8118.748.600000115.6
409E29.2Very low30.5Very low205 Ų205136.7 Ų136.796%0.95871%0.711SS**  trans-157.2172.1145.6-128.5179.6179.700112.5
410W26.6Very low30.6Very low223 Ų223138.3 Ų138.385%0.84572%0.719SS**  trans-147.5150.4-156.5-173.558.7000113
411N26.7Very low30.5Very low93 Ų93139.2 Ų139.250%0.49773%0.73SS.*  trans58.6118167.9-73.7-17.1000120.9
412S31.1Very low30.4Very low95 Ų95138.6 Ų138.666%0.66473%0.726SS**  -160.8123.9108.3-86.10000110.2
413R27.1Very low30.4Very low202 Ų202141.2 Ų141.276%0.76273%0.728SS**  73.5104.478.3-81.9-172.6-75.6-152.3-7.3114.6
414H27.6Very low30.4Very low175 Ų175142.5 Ų142.581%0.8173%0.733SS**  60.9146.5126.5-88-83.5000122.1
415M25.8Very low30.3Very low159 Ų159144.7 Ų144.778%0.78373%0.733SS**  trans62.274.9155.3-67.71776200117.6
416H31.9Very low30.3Very low172 Ų172145.2 Ų145.280%0.79674%0.736SS**  -177.7148.7125.5-89.2-59.5000107.8
417N35.3Very low30.5Very low111 Ų111148.1 Ų148.159%0.59475%0.75SS**  cis-144160.1-2.7-134.1-14.2000111.4N419N417-N419 PolarHBondContact O-N 3.44Å
418L31.5Very low30.4Very low148 Ų148146.1 Ų146.178%0.77574%0.738SS**THydrogen-bonded Turntrans-7629.1-166.5-146.880.3000115.8
419N31.3Very low30.4Very low87 Ų87147.5 Ų147.547%0.46574%0.736SS.*THydrogen-bonded Turntrans-97.9-37.9-164.9-78.1-46000115.4N417 L421 I422 K423N417-N419 PolarHBondContact O-N 3.44Å; N419-L421 VanDerWaalsContact C-N 3.28Å; N419-L421 PolarHBondContact O-N 3.32Å; N419-I422 CarbonylContact O-C 3.49Å; N419-I422 PolarHBondContact O-N 3.05Å; N419-K423 PolarHBondContact O-N 3.15Å
420D36.9Very low30.3Very low141 Ų141143.3 Ų143.375%0.75472%0.724SS**THydrogen-bonded Turntrans-78.1-9.5-167.8-62.5-47.4000114.8
421L30.7Very low30.5Very low169 Ų169138.4 Ų138.489%0.88572%0.715SS**THydrogen-bonded Turntrans-94-4.2168-79.2166.4000113.8N419N419-L421 VanDerWaalsContact C-N 3.28Å; N419-L421 PolarHBondContact O-N 3.32Å
422I31.5Very low30.7Very low124 Ų124142.1 Ų142.164%0.63673%0.726SS**SBendtrans-130.235.3175.9-37.8-176.1000111.5N419N419-I422 CarbonylContact O-C 3.49Å; N419-I422 PolarHBondContact O-N 3.05Å
423K32.6Very low30.5Very low160 Ų160144.4 Ų144.470%0.69673%0.73SS**SBendtrans-130.82.8171.4-107.3179.2179.4178.60117.5N419N419-K423 PolarHBondContact O-N 3.15Å
424I32.2Very low30.7Very low168 Ų168140.9 Ų140.986%0.86273%0.726SS**SBendtrans-112.636.6162.8-41.4-174.6000111.1
425K31.2Very low31Very low162 Ų162138.4 Ų138.470%0.70472%0.719SS**SBendtrans-143.9142.8158.7-91.2169.4-175.31590107.3
426N30.3Very low31.3Very low139 Ų139139.3 Ų139.374%0.74372%0.719SS**  trans65.551.2171-67.82.8000118.5T428N426-T428 VanDerWaalsContact CA-OG1 3.23Å; N426-T428 WeakPolarHBondContact CA-OG1 3.31Å; N426-T428 WeakPolarHBondContact CB-OG1 3.43Å; N426-T428 PolarHBondContact O-OG1 3.06Å
427T33.2Very low31.3Very low151 Ų151138.1 Ų138.193%0.92672%0.717SS**  -97.783.1111.8-36.80000106.4
428T28.5Very low31.1Very low86 Ų86137.1 Ų137.153%0.52871%0.712SS.*  63.779.766-49.80000111.3N426N426-T428 VanDerWaalsContact CA-OG1 3.23Å; N426-T428 WeakPolarHBondContact CA-OG1 3.31Å; N426-T428 WeakPolarHBondContact CB-OG1 3.43Å; N426-T428 PolarHBondContact O-OG1 3.06Å
429V27.8Very low31.1Very low127 Ų127135.8 Ų135.877%0.7771%0.711SS**SBend54.5117.2119.4177.20000116.9
430V27.1Very low31.1Very low117 Ų117141.8 Ų141.871%0.70973%0.728SS**  trans71.683.9160.9179.50000115.8
431N30Very low30.7Very low121 Ų121143.6 Ų143.665%0.64773%0.729SS**  176.7141.1112.3-83.7-41.7000110.1
432K30.4Very low30.6Very low171 Ų171142.2 Ų142.274%0.74373%0.727SS**  cis-151.5160.9-10.6-134.9162.1-165.7123.60111.8
433L27.3Very low30.6Very low143 Ų143141.3 Ų141.375%0.74973%0.728SS**  trans-59.8133.3-178-6162.2000112
434N30.6Very low30.3Very low127 Ų127139.6 Ų139.668%0.67973%0.726SS**  164.8127.5101.5-89.9-54.7000114.7
435N34.8Very low30.1Very low123 Ų123140.4 Ų140.466%0.65873%0.726SS**  trans66.4151.4151.2-61.4-45.9000117.6
436K31.4Very low30Very low178 Ų178140.6 Ų140.677%0.77473%0.731SS**  cis-171147.1-6.4-111.5171.7-173.4172.70106.9
437I32.6Very low30Very low148 Ų148136.7 Ų136.776%0.75972%0.715SS**  cis-138.4144.4-4.4-64.6169.7000107.5
438D31.5Very low29.8Very low90 Ų90133 Ų13348%0.48170%0.695SS.*  trans-103.9131161.5-179.7-30000109.5R440D438-R440 PolarHBondContact O-N 2.84Å; D438-R440 VanDerWaalsContact OD1-CB 3.3Å; D438-R440 WeakPolarHBondContact OD1-CB 3.32Å; D438-R440 WeakPolarHBondContact OD1-CD 3.47Å; D438-R440 WeakPolarHBondContact OD1-CG 3.37Å; D438-R440 PolarHBondContact OD1-N 3.44Å
439P30.6Very low29.9Very low119 Ų119132.7 Ų132.777%0.77370%0.697SS**G310 helixtrans-56.5-5.9176.5-26.635.7000116.9F441P439-F441 PolarHBondContact O-N 3.42Å
440R31.6Very low30Very low214 Ų214132.5 Ų132.581%0.80869%0.691SS**G310 helixtrans-80.3-4-176.6-69.9169.9178.9-174.42.1115.7D438D438-R440 PolarHBondContact O-N 2.84Å; D438-R440 VanDerWaalsContact OD1-CB 3.3Å; D438-R440 WeakPolarHBondContact OD1-CB 3.32Å; D438-R440 WeakPolarHBondContact OD1-CD 3.47Å; D438-R440 WeakPolarHBondContact OD1-CG 3.37Å; D438-R440 PolarHBondContact OD1-N 3.44Å
441F27.9Very low30.3Very low179 Ų179133.1 Ų133.179%0.78569%0.687SS**G310 helixtrans-94.2-13.3-174.5-125.9-95.2000116.5P439 V443P439-F441 PolarHBondContact O-N 3.42Å; F441-V443 VanDerWaalsContact C-N 3.31Å; F441-V443 PolarHBondContact O-N 3.13Å
442V28.7Very low30.4Very low139 Ų139132.7 Ų132.784%0.84268%0.683SS**THydrogen-bonded Turntrans-86.563.8-175.7-166.60000112.1
443V31.6Very low30.4Very low106 Ų106131.3 Ų131.364%0.64268%0.682SS**THydrogen-bonded Turntrans-137.8-27.4174.5-176.50000113.4F441F441-V443 VanDerWaalsContact C-N 3.31Å; F441-V443 PolarHBondContact O-N 3.13Å
444N28Very low30.6Very low123 Ų123132.3 Ų132.366%0.65868%0.683SS**SBendtrans-80.2-22.1-168.3-73.9-9.5000115.4S447N444-S447 VanDerWaalsContact O-CB 3.29Å; N444-S447 WeakPolarHBondContact O-CB 3.5Å; N444-S447 PolarHBondContact O-N 2.69Å
445E27.8Very low30.6Very low186 Ų186133.9 Ų133.987%0.86969%0.686SS**THydrogen-bonded Turntrans-80.2-22.7-178.5-69.4-171.2118.700114.4S447E445-S447 PolarHBondContact O-N 3.03Å
446M29.1Very low30.3Very low166 Ų166137.1 Ų137.182%0.81870%0.695SS**THydrogen-bonded Turntrans-73.5-6.4169.2-64.3-170.28100113S448M446-S448 VanDerWaalsContact C-N 3.3Å; M446-S448 PolarHBondContact O-N 3.26Å
447S30.1Very low30.2Very low57 Ų57134.7 Ų134.740%0.39970%0.695SS.*Hα-helixtrans-77.5-11.9178.1-167.40000113.9N444 E445 Q451N444-S447 VanDerWaalsContact O-CB 3.29Å; N444-S447 WeakPolarHBondContact O-CB 3.5Å; N444-S447 PolarHBondContact O-N 2.69Å; E445-S447 PolarHBondContact O-N 3.03Å; S447-Q451 PolarHBondContact O-N 3.12Å
448S28.6Very low30.1Very low73 Ų73133.2 Ų133.251%0.5170%0.698SS.*Hα-helixtrans-70.6-45.5177.3-175.10000111.5M446 D450 Q451 I452M446-S448 VanDerWaalsContact C-N 3.3Å; M446-S448 PolarHBondContact O-N 3.26Å; S448-D450 VanDerWaalsContact C-N 3.34Å; S448-D450 PolarHBondContact O-N 2.9Å; S448-Q451 PolarHBondContact O-N 3.49Å; S448-I452 PolarHBondContact O-N 3.41Å
449S30.5Very low29.9Very low80 Ų80138.7 Ų138.756%0.55972%0.717SS**Hα-helixtrans-65.3-34.3177.5-48.70000113.2Q451 I452S449-Q451 VanDerWaalsContact C-N 3.29Å; S449-Q451 PolarHBondContact O-N 3.09Å; S449-I452 PolarHBondContact O-N 2.84Å
450D30.5Very low29.8Very low122 Ų122141.6 Ų141.665%0.65272%0.718SS**Hα-helixtrans-70.5-20.1177.1-97.8-10.8000113.2S448S448-D450 VanDerWaalsContact C-N 3.34Å; S448-D450 PolarHBondContact O-N 2.9Å
451Q32.5Very low29.6Very low131 Ų131137.8 Ų137.861%0.61271%0.712SS**Hα-helixtrans-82.1-36.2174.4-74.5-176.2-9.900112.7S447 S448 S449 I453 Q454S447-Q451 PolarHBondContact O-N 3.12Å; S448-Q451 PolarHBondContact O-N 3.49Å; S449-Q451 VanDerWaalsContact C-N 3.29Å; S449-Q451 PolarHBondContact O-N 3.09Å; Q451-I453 VanDerWaalsContact C-N 3.31Å; Q451-I453 PolarHBondContact O-N 3.42Å; Q451-Q454 PolarHBondContact O-N 3.18Å
452I32.2Very low29.5Very low112 Ų112136.7 Ų136.757%0.57471%0.714SS**Hα-helixtrans-69.5-29.5-176.5-66.6171.1000111.8S448 S449 Q454 Q455S448-I452 PolarHBondContact O-N 3.41Å; S449-I452 PolarHBondContact O-N 2.84Å; I452-Q454 VanDerWaalsContact C-N 3.27Å; I452-Q454 PolarHBondContact O-N 3.45Å; I452-Q455 PolarHBondContact O-N 3.37Å
453I31.2Very low29.5Very low141 Ų141138 Ų13872%0.72372%0.716SS**THydrogen-bonded Turntrans-77.2-9.2178.8-65.5176000112.7Q451Q451-I453 VanDerWaalsContact C-N 3.31Å; Q451-I453 PolarHBondContact O-N 3.42Å
454Q31.4Very low29.3Very low164 Ų164137.3 Ų137.377%0.76672%0.716SS**THydrogen-bonded Turntrans-96.1-1.3172.2-61.4-147.2-53.600114.7Q451 I452Q451-Q454 PolarHBondContact O-N 3.18Å; I452-Q454 VanDerWaalsContact C-N 3.27Å; I452-Q454 PolarHBondContact O-N 3.45Å
455Q30.1Very low29.3Very low160 Ų160139.1 Ų139.175%0.74872%0.724SS**SBendtrans-100.93.4-174.8-72.5-172.9-21.900115.6I452I452-Q455 PolarHBondContact O-N 3.37Å
456K27.5Very low29.3Very low192 Ų192138.2 Ų138.284%0.83572%0.722SS**SBendtrans-126.566.1179.8-73.6-172.1176179.90113.5
457T29.6Very low29.4Very low126 Ų126137 Ų13777%0.77372%0.718SS**SBendtrans-160.2155.5157.3-5.70000111.2
458S31.7Very low29.3Very low118 Ų118142.3 Ų142.383%0.82574%0.742SS**  trans56.759.117452.20000117.5
459K26.7Very low29.5Very low204 Ų204145.8 Ų145.889%0.88776%0.755SS**  trans-73.5113.1130.3-94.7-171174.9-175.90106.7
460F28.3Very low29.2Very low181 Ų181147.5 Ų147.579%0.79477%0.766SS**  trans-175.1125.5134.4-121.9-112.1000111.1
461I27.7Very low29Very low133 Ų133146.4 Ų146.468%0.68277%0.768SS**  trans33110.9150.2-52.7-179000118.3
462L26.2Very low28.8Very low157 Ų157147.4 Ų147.482%0.82278%0.776SS**  -151111.8109.3-150.186.6000110.4
463N29.3Very low28.6Very low166 Ų166147.5 Ų147.589%0.88878%0.782SS**  trans-109.1108.5159.1-136.638.3000105.5
464S26.7Very low28.4Very low92 Ų92146 Ų14664%0.64378%0.784SS**  trans-96.8178.8167.1-170.20000108.7
465I27.4Very low28.4Very low161 Ų161142.8 Ų142.883%0.82678%0.78SS**  trans7264-177.2-40.3174.1000112.8
466M29.1Very low28.4Very low167 Ų167140.4 Ų140.482%0.82378%0.776SS**SBendtrans-127.9129.4130.6-93.6-69.6-171.900107.5
467N30.6Very low28.6Very low139 Ų139139.9 Ų139.974%0.74378%0.777SS**  trans46.587160.7-55.6-12.4000118.5N469N467-N469 PolarHBondContact O-N 3.06Å
468N28.2Very low28.5Very low169 Ų169137.9 Ų137.990%0.90477%0.768SS**  trans-77.298.8138.1-102.63.1000107.5
469N31.4Very low28.6Very low146 Ų146140.4 Ų140.478%0.78177%0.767SS**  trans-159.1110.7158.7-106.2-12.6000110N467N467-N469 PolarHBondContact O-N 3.06Å
470C24.2Very low28.7Very low117 Ų117135.8 Ų135.879%0.79176%0.76SS**  trans60.9126.1159.9-59.90000121.8
471S27.5Very low28.9Very low99 Ų99131.4 Ų131.469%0.69275%0.752SS**  trans73.9114.813159.40000123.6
472I28Very low29Very low151 Ų151134.5 Ų134.577%0.77476%0.76SS**  88.6102.4121.1-67.2171.9000120.3
473T28Very low29.2Very low114 Ų114131.7 Ų131.770%0.69975%0.754SS**  trans61.2132140.563.10000124.7
474S27.2Very low29.3Very low109 Ų109128.4 Ų128.476%0.76274%0.744SS**  trans57.7145.5141.253.60000121.6
475S31.6Very low29.4Very low98 Ų98129.4 Ų129.469%0.68575%0.751SS**  cis-169.2164.2-9.349.30000112.2
476T29.8Very low29.6Very low110 Ų110130.1 Ų130.168%0.67576%0.755SS**  trans57.1119.714946.90000123.4
477E31.2Very low29.6Very low180 Ų180127 Ų12784%0.84176%0.755SS**  trans72157.9131.8-64.4-179.417800121.9
478S27.5Very low29.7Very low85 Ų85124.2 Ų124.259%0.59476%0.759SS**  cis-164.9170.4-32.266.40000111.9
479Q33.9Very low29.7Very low171 Ų171120.8 Ų120.880%0.79975%0.749SS**  trans68.6118.1165.1-59.5-177.44500118.7
480S28.2Very low29.7Very low107 Ų107123.1 Ų123.175%0.74875%0.752SS**  89.9150.786106.30000114
481S33.9Very low30.1Very low88 Ų88122.6 Ų122.662%0.61575%0.746SS**  cis-163.4164.8-2.765.90000112.5
482K29.9Very low30.2Very low198 Ų198122.9 Ų122.986%0.86175%0.748SS**  trans64.2160.1159.4-69.1169.4-176.7173.70117.9
483S30.6Very low30.2Very low98 Ų98121.4 Ų121.469%0.68575%0.751SS**  cis-162.9174.7-20.252.30000111.4
484S31.2Very low30.2Very low97 Ų97120.8 Ų120.868%0.67875%0.751SS**  trans47.2102.1149.153.70000119.7
485S27.8Very low30.3Very low113 Ų113123.2 Ų123.279%0.7976%0.755SS**  89.4117.765.668.10000116
486I32.9Very low30Very low176 Ų176123.5 Ų123.590%0.90376%0.757SS**  trans-137.7147.4161.7-82.7171.3000108.2
487A29.3Very low30Very low101 Ų101129.1 Ų129.184%0.83577%0.765SS**  trans-118150.2172.100000110.5
488G31.7Very low29.8Very low81 Ų81129.6 Ų129.684%0.83577%0.768SS**  trans-179.9120177.600000112
489S28.5Very low29.9Very low97 Ų97131.4 Ų131.468%0.67878%0.781SS**  trans-84154172.551.50000111.6
490F31.6Very low29.5Very low195 Ų195128.8 Ų128.886%0.85578%0.781SS**  -167.9-179122.1-105-65.7000111.5
491T31.4Very low29.5Very low107 Ų107133 Ų13366%0.65679%0.786SS**  trans-124.6128.9-146.649.20000116
492S29.9Very low29.2Very low104 Ų104137.4 Ų137.473%0.72780%0.797SS**  trans62156140.966.30000121.5
493S28.3Very low29.1Very low120 Ų120135.7 Ų135.784%0.83980%0.796SS**  trans73.1145.6176.185.20000114.8
494S28.8Very low29Very low102 Ų102137.9 Ų137.971%0.71380%0.8SS**  cis-154.3149.5-5.951.10000113.4
495L28Very low29Very low160 Ų160144.7 Ų144.784%0.83881%0.811SS**  trans51.5121.4147.6-91.377.9000122.4
496S26.6Very low29.1Very low103 Ų103146.7 Ų146.772%0.7281%0.807SS**  106163.4121.381.60000120.8
497R29.8Very low29Very low228 Ų228145 Ų14586%0.8680%0.8SS**  trans75.386.3173.1-60.3-169.1179-147.8-2.9118.2
498Q26.8Very low29.2Very low190 Ų190148.2 Ų148.289%0.88880%0.801SS**  trans-9.5134.4139-58.1146.2-66.900117
499S29.1Very low29.2Very low124 Ų124153.8 Ų153.887%0.86780%0.803SS**  -154.1151.7115.562.60000110.5
500S26.1Very low29.3Very low115 Ų115156.5 Ų156.580%0.80481%0.809SS**  trans-96.4145.7-169.8-54.50000112.1
501F26.6Very low29.2Very low196 Ų196155 Ų15586%0.8681%0.805SS**  trans-150.9138140.9-132.9-89.9000112
502Q27.6Very low29.3Very low180 Ų180159.8 Ų159.884%0.84182%0.816SS**  trans-99.1138.7172.4-73-169.4-8.500110.4
503I28.8Very low29.4Very low163 Ų163162.1 Ų162.184%0.83682%0.82SS**  trans-132.1140.7152.8-64.9-173.3000108.6
504N28.3Very low29.8Very low144 Ų144161.8 Ų161.877%0.7782%0.815SS**  trans-77.4156.8-169.1-163.6-2.7000112.5
505R32Very low30.2Very low240 Ų240164.2 Ų164.291%0.90681%0.813SS**  trans-131100.4-173.5-160-177.5-161-1717.7111.7
506Q29.7Very low30.8Very low154 Ų154163.1 Ų163.172%0.7280%0.803SS**  trans-122.6154.5172.9-73.6-169.8-13.300112.2
507N29.6Very low31.2Very low140 Ų140163.4 Ų163.475%0.74980%0.797SS**  trans56.683.6161.4-59.7-17.7000118.9
508I34Very low31.7Very low169 Ų169160.2 Ų160.287%0.86779%0.789SS**  trans-121.6116.8137.9-63.6178.8000107.2
509K31.4Very low32.4Very low198 Ų198154.9 Ų154.986%0.86177%0.766SS**  trans-143.958.2-173.7-164.2-166.5177-172.10112.3
510L30.5Very low32.8Very low154 Ų154156.8 Ų156.881%0.80676%0.759SS**  trans-148.2152.7168-11867.8000105.2
511E29.4Very low33.5Very low164 Ų164158.8 Ų158.877%0.76676%0.755SS**  cis-157.61072.6179.1-173.7-16400108.1
512K33.6Very low34.2Very low207 Ų207158 Ų15890%0.975%0.752SS**  trans-146.844.9178.4-71.7-160.3176.3-176.50115.4
513L33.2Very low34.7Very low154 Ų154156 Ų15681%0.80674%0.744SS**  trans-132.7110161.5-80.293.6000109.2
514P35.4Very low34.9Very low112 Ų112155.7 Ų155.773%0.72774%0.741SS**SBend-140.35.3108.136.9-25.2000115.2Q516P514-Q516 PolarHBondContact O-N 2.95Å
515F38.1Very low35.4Very low154 Ų154154 Ų15468%0.67574%0.738SS**Hα-helixtrans-71-29.9-169.6-162.8-100.3000115.2L519F515-L519 HydrophobicContact CE1-CD1 4.35Å; F515-L519 HydrophobicContact CZ-CD1 4.38Å; F515-L519 PolarHBondContact O-N 3.35Å
516Q39.4Very low35.4Very low137 Ų137152.1 Ų152.164%0.6474%0.742SS**Hα-helixtrans-77.8-25.2-172.5-68.5-148.1-15.100115.2P514 K520P514-Q516 PolarHBondContact O-N 2.95Å; Q516-K520 WeakPolarHBondContact O-CB 3.41Å
517N36.1Very low35.5Very low109 Ų109149.1 Ų149.158%0.58374%0.738SS**Hα-helixtrans-77.6-45.2175.8-69.3-4.4000110.7L519 K520 E521N517-L519 PolarHBondContact O-N 3.1Å; N517-L519 VanDerWaalsContact O-N 3.1Å; N517-K520 WeakPolarHBondContact O-CB 3.32Å; N517-K520 PolarHBondContact O-N 2.85Å; N517-E521 PolarHBondContact O-N 3.38Å
518K39.6Very low35.6Very low161 Ų161152.4 Ų152.470%0.775%0.746SS**Hα-helixtrans-60.8-22.2-179.6-138.2169.5-170.7173.20114.1
519L41.5Very low35.4Very low78 Ų78154 Ų15441%0.40875%0.746SS.*Hα-helixtrans-88.5-26172.9-148.378.9000113.3F515 N517 M523F515-L519 HydrophobicContact CE1-CD1 4.35Å; F515-L519 HydrophobicContact CZ-CD1 4.38Å; F515-L519 PolarHBondContact O-N 3.35Å; N517-L519 PolarHBondContact O-N 3.1Å; N517-L519 VanDerWaalsContact O-N 3.1Å; L519-M523 HydrophobicContact CD1-CE 4.15Å; L519-M523 HydrophobicContact CD2-CE 4.31Å; L519-M523 HydrophobicContact CD2-SD 4.2Å; L519-M523 HydrophobicContact CG-CE 4.03Å; L519-M523 HydrophobicContact CG-SD 4.04Å; L519-M523 WeakPolarHBondContact O-CB 3.21Å; L519-M523 WeakPolarHBondContact O-CG 3.28Å; L519-M523 PolarHBondContact O-N 2.91Å
520K37.1Very low35.3Very low163 Ų163154.7 Ų154.771%0.70975%0.749SS**Hα-helixtrans-77.8-33.4-176.7-161.4178.9-177.4-170.90112Q516 N517Q516-K520 WeakPolarHBondContact O-CB 3.41Å; N517-K520 WeakPolarHBondContact O-CB 3.32Å; N517-K520 PolarHBondContact O-N 2.85Å
521E40.6Very low35.5Very low157 Ų157156 Ų15673%0.73476%0.755SS**G310 helixtrans-73.9-32.8172.7-67.6166.3163.700112N517 M523N517-E521 PolarHBondContact O-N 3.38Å; E521-M523 VanDerWaalsContact C-N 3.32Å; E521-M523 PolarHBondContact O-N 3.32Å
522K42.8Very low35.6Very low181 Ų181151.2 Ų151.279%0.78775%0.751SS**G310 helixtrans-82.93.1176.3-75.2-162.2170-164.80115.1
523M37.9Very low35.7Very low136 Ų136150.3 Ų150.367%0.6775%0.752SS**G310 helixtrans-135.238.1-176.5-64-172.9174.600113.9L519 E521L519-M523 HydrophobicContact CD1-CE 4.15Å; L519-M523 HydrophobicContact CD2-CE 4.31Å; L519-M523 HydrophobicContact CD2-SD 4.2Å; L519-M523 HydrophobicContact CG-CE 4.03Å; L519-M523 HydrophobicContact CG-SD 4.04Å; L519-M523 WeakPolarHBondContact O-CB 3.21Å; L519-M523 WeakPolarHBondContact O-CG 3.28Å; L519-M523 PolarHBondContact O-N 2.91Å; E521-M523 VanDerWaalsContact C-N 3.32Å; E521-M523 PolarHBondContact O-N 3.32Å
524M33.5Very low35.8Very low158 Ų158149.9 Ų149.978%0.77875%0.75SS**SBendtrans-79.7150.6155.9-78.5-164.7172.600110.6
525P37.8Very low35.5Very low109 Ų109149.4 Ų149.471%0.70875%0.749SS**  trans-70.6134.8-173.528.1-34.9000112.6S527P525-S527 VanDerWaalsContact C-N 3.32Å; P525-S527 PolarHBondContact O-N 3.41Å
526M31.6Very low35.2Very low200 Ų200150 Ų15099%0.98576%0.759SS**SBendtrans-72.881.7174.5-66.2-167.4-63.400111.7
527S31.7Very low34.9Very low91 Ų91148.3 Ų148.364%0.63676%0.762SS**  trans-148.4129.6164.362.60000109.4P525P525-S527 VanDerWaalsContact C-N 3.32Å; P525-S527 PolarHBondContact O-N 3.41Å
528K32.8Very low34.6Very low209 Ų209147.8 Ų147.891%0.90977%0.767SS**SBendtrans69.873.5-173.4-52.4-172.7177-167.40115.8
529K29.7Very low34.4Very low203 Ų203145.1 Ų145.188%0.88377%0.768SS**  trans-172.891.8144-109.7177.1-179-172.90111.2
530F29Very low34.1Very low211 Ų211146.6 Ų146.693%0.92579%0.786SS**  trans-159.7104.1162.4-119.6-79.8000108.2
531I33.5Very low34.1Very low181 Ų181144.7 Ų144.793%0.92879%0.79SS**  trans169.8143.6169-94.5153.7000105
532G31.6Very low33.9Very low65 Ų65145.2 Ų145.267%0.6780%0.797SS**  trans98.964.8170.400000116.2
533M37.2Very low33.9Very low188 Ų188142 Ų14293%0.92679%0.794SS**  trans-118.1109.9140.4-81.2-167.271.800108.9
534N34Very low33.7Very low145 Ų145141.4 Ų141.478%0.77580%0.801SS**  trans-66.3157.1161-64.4-3000108.2
535S29.5Very low33.8Very low101 Ų101138.2 Ų138.271%0.70680%0.799SS**  cis-173.3145.7-639.10000107.9
536L32.9Very low33.6Very low168 Ų168138 Ų13888%0.8880%0.8SS**  trans-152.4140.1149.4-134.373.6000110.8
537S31.5Very low33.8Very low100 Ų100136.3 Ų136.370%0.69979%0.794SS**  trans-36.7155.1163.543.40000116
538S31.5Very low33.9Very low98 Ų98136.7 Ų136.769%0.68579%0.794SS**  cis-173.8170.5-1.545.40000110.7
539S34Very low33.8Very low105 Ų105135.2 Ų135.273%0.73479%0.791SS**  trans59.2139.2153.450.50000119.5
540S35.8Very low33.6Very low110 Ų110130.3 Ų130.377%0.76978%0.782SS**  cis-166.9159.7-10.236.40000109.9
541P37Very low33.7Very low122 Ų122129.9 Ų129.979%0.79278%0.78SS**  trans-105.1170.1-166.940.6-35.9000115.4
542L37.5Very low33.4Very low169 Ų169126.2 Ų126.289%0.88577%0.771SS**  trans-153.3163.9165.9-96.1151.6000109.1
543P41.6Very low33.7Very low112 Ų112127.8 Ų127.873%0.72777%0.769SS**  -124.6177.1-129.820.54.5000116.7
544P33.5Very low33.3Very low125 Ų125126.9 Ų126.981%0.81276%0.762SS**  trans-102.4166.9-173.639.6-36000116.1
545A36.9Very low33.2Very low90 Ų90128.9 Ų128.974%0.74477%0.767SS**  trans-132.7135.5161.600000107.6
546S32.8Very low32.8Very low104 Ų104129.5 Ų129.573%0.72777%0.77SS**  cis109.5161.524.676.90000112.4
547L35.4Very low32.8Very low165 Ų165129.8 Ų129.886%0.86477%0.766SS**  trans88.4145.4-178-64.9155.3000117.4
548P33.8Very low32.6Very low99 Ų99131 Ų13164%0.64377%0.765SS**  -149.4171.8-123.944.4-24.2000119.9
549Q30.4Very low32.4Very low178 Ų178136.5 Ų136.583%0.83277%0.772SS**  trans55.5152.5137.9-74.4178100124.9
550S27.4Very low32.1Very low100 Ų100137.8 Ų137.870%0.69977%0.77SS**  trans74.9144.5164.176.50000116.4
551F31Very low31.6Very low202 Ų202137.4 Ų137.489%0.88677%0.767SS**  cis-128.2-177.822.2-103.9-97.5000115
552S27.3Very low31.3Very low104 Ų104138.7 Ų138.773%0.72777%0.772SS**  trans-135-161-179.3-157.80000110.8
553P36.4Very low30.8Very low98 Ų98136.1 Ų136.164%0.63676%0.76SS**  -120.1-159.4-104.841.1-24.5000114.9
554H29Very low30.2Very low169 Ų169142.8 Ų142.878%0.78277%0.771SS**  trans83.2113.9176-55.8-86.2000118.2
555H31.4Very low29.9Very low188 Ų188144 Ų14487%0.8777%0.765SS**  -160.7151.8109.9-109.664.1000112
556C22.7Very low29.6Very low114 Ų114149 Ų14977%0.7777%0.77SS**  trans-101.8152.6168.3-61.60000109.4
557H31.7Very low29.4Very low173 Ų173151.3 Ų151.380%0.80177%0.774SS**  trans-159.2154.2140.2-127-95.9000112.7
558N27.1Very low28.8Very low126 Ų126152.9 Ų152.967%0.67477%0.77SS**  trans-86.1159-177.4-53.6-59.4000112.6
559Y28.1Very low28.8Very low213 Ų213153.6 Ų153.684%0.83577%0.774SS**  trans-170.998.4134.5-98.8-74.6000107.9
560L28.3Very low28.9Very low133 Ų133150.6 Ų150.670%0.69677%0.768SS**  79.9104.198.1-98.177.6000117.1
561S25Very low28.8Very low102 Ų102150.6 Ų150.671%0.71377%0.768SS**  trans20.2125132.958.30000121.5
562V30.6Very low28.9Very low148 Ų148146.9 Ų146.990%0.89776%0.764SS**  trans-135.3141.8141-179.10000109.4
563D26.9Very low29.2Very low116 Ų116148.9 Ų148.962%0.6277%0.766SS**  trans-82.2156.8-171.4-145.8-42.8000114Q565D563-Q565 PolarHBondContact OD1-N 3.35Å
564R28.6Very low28.9Very low252 Ų252151 Ų15195%0.95178%0.777SS**  trans-160.697.7140.7-117.5176.2-162.8-1575114.7
565Q27.2Very low28.9Very low151 Ų151146.6 Ų146.671%0.70678%0.777SS**  trans-59.4151.1163.3-54.6161.40.800113.4D563D563-Q565 PolarHBondContact OD1-N 3.35Å
566K30.5Very low28.8Very low194 Ų194145.7 Ų145.784%0.84378%0.778SS**  trans161.2138.4138.8-92.5172179.9-173.80110.6
567L28.9Very low29.3Very low153 Ų153147 Ų14780%0.80178%0.777SS**  cis-159.6153.3-13.7-163.667.6000108.3
568Y22.4Very low29.3Very low198 Ų198145.4 Ų145.478%0.77677%0.773SS**  trans-76.3165.9164.2-76.7-95.3000111
569P33.9Very low29.5Very low113 Ų113144.5 Ų144.573%0.73477%0.772SS**  -123.6139.69636.3-32.1000111.2
570T32.4Very low29.7Very low116 Ų116141.2 Ų141.271%0.71277%0.769SS**  66.8125.550.469.40000114.6
571S24.6Very low30.1Very low100 Ų100142.9 Ų142.970%0.69977%0.773SS**  trans-51.4159.6-176.9-38.30000115.2
572P33.7Very low30.7Very low123 Ų123143.5 Ų143.580%0.79977%0.768SS**  -113.7142.885.335.5-35.9000111.8
573L33.2Very low30.9Very low146 Ų146142.8 Ų142.876%0.76476%0.759SS**  62.1111.762.3-11488.1000114.5
574V30.8Very low31.4Very low143 Ų143143.6 Ų143.687%0.86776%0.764SS**  trans47.590.6156.5-166.90000117
575G29.5Very low31.7Very low77 Ų77136.9 Ų136.979%0.79475%0.746SS**  trans-141.7107.1154.500000108.6
576L28.8Very low32.2Very low168 Ų168135 Ų13588%0.8875%0.745SS**  trans-81.2118.3171.4-133.580.3000107.4
577D32.2Very low32.4Very low142 Ų142133 Ų13376%0.75974%0.743SS**  trans-151.1147.6158.4-143.6-25.8000112.1T579D577-T579 PolarHBondContact O-N 2.91Å
578I31.6Very low32.5Very low139 Ų139136.2 Ų136.271%0.71375%0.745SS**  trans-110.359.1-155.5-48.8-179.5000110.3
579T32.6Very low32.8Very low107 Ų107135.4 Ų135.466%0.65675%0.745SS**  trans-13072.3-175.661.40000112.9D577D577-T579 PolarHBondContact O-N 2.91Å
580N32.6Very low32.8Very low144 Ų144137.5 Ų137.577%0.7775%0.75SS**SBendtrans-168.4-11.1152.4-105-59.5000115.7
581E36.7Very low32.7Very low168 Ų168139.8 Ų139.879%0.78576%0.758SS**SBendtrans-78.1-19.2170.6-80.8-160.4118.600113.8D583E581-D583 PolarHBondContact O-N 3Å
582L35.9Very low33Very low116 Ų116142.3 Ų142.361%0.60776%0.764SS**G310 helixtrans-71.5-34.3-169.4-140.869.7000114.1N584 L585 V586L582-N584 PolarHBondContact O-N 3.24Å; L582-N584 VanDerWaalsContact O-N 3.13Å; L582-L585 PolarHBondContact O-N 3.36Å; L582-V586 PolarHBondContact O-N 2.87Å
583D35.7Very low32.9Very low132 Ų132142.7 Ų142.771%0.70676%0.759SS**G310 helixtrans-65.3-17.2-176.5-109.313000114E581E581-D583 PolarHBondContact O-N 3Å
584N36.9Very low32.8Very low133 Ų133142 Ų14271%0.71176%0.756SS**G310 helixtrans-100.1-1.5175.4-74.3-82.1000113.9L582L582-N584 PolarHBondContact O-N 3.24Å; L582-N584 VanDerWaalsContact O-N 3.13Å
585L34.6Very low32.9Very low112 Ų112141.3 Ų141.359%0.58675%0.747SS**THydrogen-bonded Turntrans-103.8-27.9179.9-73.3171.2000113.6L582 N587 R588L582-L585 PolarHBondContact O-N 3.36Å; L585-N587 PolarHBondContact O-N 3.17Å; L585-R588 PolarHBondContact O-N 2.89Å
586V37.9Very low33Very low112 Ų112143.1 Ų143.168%0.67974%0.739SS**G310 helixtrans-65.3-38.8176.5179.80000111.9L582 R588L582-V586 PolarHBondContact O-N 2.87Å; V586-R588 PolarHBondContact O-N 3.44Å; V586-R588 VanDerWaalsContact O-N 3.12Å
587N35.6Very low33.1Very low151 Ų151141.3 Ų141.381%0.80773%0.73SS**G310 helixtrans-81.420.9-179.3-77.7-69.8000114.7L585L585-N587 PolarHBondContact O-N 3.17Å
588R30.8Very low33.1Very low220 Ų220139.6 Ų139.683%0.8373%0.73SS**G310 helixtrans-144.316.2-174.5-144.7180-179.9-174.5-2.3116L585 V586L585-R588 PolarHBondContact O-N 2.89Å; V586-R588 PolarHBondContact O-N 3.44Å; V586-R588 VanDerWaalsContact O-N 3.12Å
589K29.4Very low33.2Very low182 Ų182139.9 Ų139.979%0.79173%0.732SS**SBendtrans-144.456.7-178.2-154.6-172.8-179.2-173.20113.5
590D32.4Very low33Very low157 Ų157139 Ų13984%0.8473%0.729SS**  trans-154164.9159-94.6-38.6000109.7
591N31Very low33Very low163 Ų163138.2 Ų138.287%0.87273%0.725SS**  trans63.256.9-174.4-63.7-42.5000115.3
592N31Very low32.9Very low153 Ų153136.4 Ų136.482%0.81872%0.721SS**SBendtrans-139.1137.9132.1-119.53.4000109.1
593N31.6Very low32.8Very low131 Ų131136.6 Ų136.670%0.70173%0.727SS**  trans73110.6171.8-60.77.4000119.1
594N32Very low32.7Very low131 Ų131137 Ų13770%0.70173%0.729SS**  89112.6127.8-60.79.4000120.9
595N31.4Very low32.5Very low129 Ų129136.9 Ų136.969%0.6972%0.724SS**  100139117.9-83.444.4000122.9
596D32.9Very low32.4Very low116 Ų116139.4 Ų139.462%0.6273%0.73SS**  trans80.685.3143.7-58.2-30.3000122.9
597N31Very low32.1Very low130 Ų130139.3 Ų139.370%0.69573%0.73SS**  80.2136.8115.9-58.8-38.2000123.5
598S32.4Very low31.9Very low106 Ų106138.2 Ų138.274%0.74172%0.724SS**  trans69.6155.1147.770.70000118.1
599N33.4Very low31.9Very low144 Ų144134.3 Ų134.377%0.7772%0.72SS**  cis-168.4167.9-9.8-108.924.2000107.6
600C27.6Very low31.8Very low88 Ų88130.8 Ų130.860%0.59572%0.718SS**  cis-174.4150.7-28.3-114.90000110.3
601N33.1Very low31.8Very low129 Ų129132.4 Ų132.469%0.6972%0.72SS**  trans67156.5149.2-6341.8000118.8
602D33.9Very low31.6Very low129 Ų129134 Ų13469%0.6972%0.719SS**  cis-170.2176.1-11.1-110.6-24.6000112.3
603V34.8Very low31.7Very low121 Ų121131.6 Ų131.673%0.73371%0.712SS**  trans68.8143.4147.3156.40000118.4
604D33Very low31.7Very low141 Ų141134 Ų13475%0.75472%0.717SS**  cis-168.2-174.2-14.3-103.82.4000107.5
605E33.3Very low31.6Very low130 Ų130135.9 Ų135.961%0.60772%0.721SS**  -165.5176-55.6-155.7-93.1106.100107.2
606K31.3Very low31.6Very low164 Ų164134 Ų13471%0.71372%0.717SS**  trans69.5150.4169.4-64.5-166.9179.6590118.9
607V31.9Very low31.4Very low111 Ų111136.5 Ų136.567%0.67373%0.731SS**  cis-159144.7-25.7120.10000109.8
608N31.2Very low31.3Very low128 Ų128134 Ų13468%0.68474%0.736SS**  trans48.7127.9157-69.3-8.6000125.2
609N30.8Very low31.1Very low137 Ų137135.1 Ų135.173%0.73374%0.738SS**  90.7119.7127.3-71.3-7.3000123.3
610S27.9Very low31.1Very low108 Ų108135.8 Ų135.876%0.75574%0.742SS**  trans94.5141.4131.6-740000122
611E31.5Very low31.2Very low191 Ų191139.6 Ų139.689%0.89375%0.751SS**  trans66.9114.6160.2-63.3-169.3134.200122.6
612K27.6Very low31.2Very low196 Ų196140.4 Ų140.485%0.85275%0.754SS**  trans-63.9177.7153.3-72.1177.1177.2176.70111.4
613P34Very low30.9Very low103 Ų103140.6 Ų140.667%0.66976%0.755SS**  cis-133.5-176.5-3833.3-15.3000111.8
614K30.2Very low30.7Very low182 Ų182140.1 Ų140.179%0.79176%0.758SS**  163.8146122.5-87.3166.8-177.1173.30113.8
615H30.6Very low30.6Very low171 Ų171141.9 Ų141.979%0.79276%0.761SS**  trans41.5134.2145.3-75-87.5000125.1
616S30.6Very low30.6Very low88 Ų88141.3 Ų141.362%0.61577%0.767SS**  78119.7128.665.90000122.6
617N28.6Very low30.5Very low170 Ų170140.6 Ų140.691%0.90977%0.77SS**  trans67.3145.9137.4-56.80.7000118.7
618G30.6Very low30.5Very low78 Ų78143.7 Ų143.780%0.80478%0.777SS**  trans130.971.8175.400000113.3
619T27.9Very low30.5Very low128 Ų128144 Ų14479%0.78578%0.783SS**  trans-51.7137.6164.844.20000112.7
620N32.3Very low30.5Very low159 Ų159144.3 Ų144.385%0.8578%0.783SS**  trans-166.8151.5131.6-96-20.4000113.6
621H30.1Very low30.4Very low167 Ų167145.1 Ų145.177%0.77378%0.784SS**  trans-24.5133.5172.7-101-104.9000119.2
622L32.5Very low30.3Very low146 Ų146145.7 Ų145.776%0.76478%0.783SS**  -167.1132.8106.1-12673.7000113
623D29.3Very low30.4Very low133 Ų133140.5 Ų140.571%0.71178%0.777SS**  trans45.5134.5145.9-53.6-13000126.5
624S29.3Very low30.1Very low112 Ų112140.1 Ų140.178%0.78378%0.777SS**  trans63.1103.2144.7-1690000122.3
625E32Very low30.2Very low178 Ų178138.9 Ų138.983%0.83278%0.779SS**  -173.3127.5108.2-99.8-164.7134.400114.9
626V32.3Very low30.2Very low118 Ų118135.7 Ų135.772%0.71577%0.771SS**  trans4893.3143.7-1680000121.8
627N29.6Very low30.3Very low148 Ų148137.9 Ų137.979%0.79178%0.776SS**  74.4112.1129.9-68.5-17.8000125.3
628H32.4Very low30.4Very low177 Ų177137 Ų13782%0.81977%0.766SS**  trans93.7109.6130.9-123.3-47.3000121.6
629V29.6Very low30.5Very low133 Ų133139.9 Ų139.981%0.80676%0.763SS**  trans-125.1-171.3168.6176.90000108.9
630I30.8Very low30.7Very low144 Ų144137.3 Ų137.374%0.73876%0.755SS**  trans-93.4151.2-161.7-64.1165.9000113.4
631T27.7Very low30.7Very low125 Ų125135.7 Ų135.777%0.76775%0.751SS**  trans60.5118163.845.20000120.8
632K27.3Very low30.5Very low203 Ų203133.8 Ų133.888%0.88375%0.751SS**  171.3167.1114.6-98.2179.5178.4-178.70111.8
633A30Very low30.4Very low88 Ų88131.5 Ų131.573%0.72775%0.747SS**  trans63.7140.3166.300000116.8
634S29.3Very low30.5Very low94 Ų94132.7 Ų132.766%0.65775%0.748SS**  cis81118.619.485.40000116.5
635N30.5Very low30.6Very low156 Ų156134.4 Ų134.483%0.83475%0.746SS**  trans71148.7171.3-50.3-3.5000113.7
636V31.9Very low30.5Very low104 Ų104133.6 Ų133.663%0.6374%0.741SS**  cis-155141.5-12119.50000105.7
637D32.4Very low30.1Very low135 Ų135132.5 Ų132.572%0.72274%0.739SS**  -176.813899.9-88.5-59.4000106.9
638H30.4Very low30.3Very low151 Ų151135 Ų13570%0.69975%0.746SS**  55.8116.881.4-75.8-73.7000114.6
639D32.8Very low30.1Very low139 Ų139135.2 Ų135.274%0.74375%0.747SS**  cis-147.4-143.3-4-141.3-35.2000110.6
640A31.5Very low30.1Very low74 Ų74138 Ų13861%0.61275%0.748SS**  cis-156.7176.511.200000111.6
641V32.2Very low30.2Very low125 Ų125135.3 Ų135.376%0.75874%0.739SS**  trans36.2104.1154.6-175.40000117.1
642T27.4Very low30.4Very low126 Ų126137.6 Ų137.677%0.77374%0.741SS**  cis80.1137.838.3-47.20000115.7
643S28.9Very low30.4Very low99 Ų99135 Ų13569%0.69274%0.736SS**  trans73.5153.4-175.184.30000115.5
644H31.8Very low30.4Very low157 Ų157137.2 Ų137.273%0.72774%0.735SS**  cis-132.9134.41.2-99.4-79.4000109.7
645M31Very low30.5Very low148 Ų148139.1 Ų139.173%0.72974%0.736SS**  69.3115.494.9-67.5-17175.700119.7
646H29.9Very low30.4Very low161 Ų161138.8 Ų138.875%0.74573%0.729SS**  trans52.7116.9135-78.1-47.3000124.8
647S24.6Very low30.4Very low96 Ų96138 Ų13867%0.67173%0.728SS**  48.7132.2127.167.40000122.7
648H33.6Very low30.3Very low201 Ų201140.6 Ų140.693%0.93173%0.728SS**  trans-146.2150.2138.3-116.4-82.5000111.5
649Q27.7Very low30.4Very low181 Ų181138.8 Ų138.885%0.84672%0.724SS**  trans-141.5134-171.6171.2-175.7-7.500109.6
650K30.3Very low30.3Very low191 Ų191138.7 Ų138.783%0.8372%0.722SS**  trans164.6154167.6-101.6-173.5175.7-168.30109.4
651T32.1Very low30.1Very low87 Ų87144.9 Ų144.953%0.53473%0.731SS.*  cis-169.7156.2-26.616.80000107.8
652E32.5Very low30Very low173 Ų173146.2 Ų146.281%0.80873%0.734SS**  trans54.4138149.2-64.3134.8-15300121.7
653D28.2Very low30.1Very low149 Ų149144.6 Ų144.680%0.79773%0.728SS**  cis-144-107.4-28.8-166.945.2000110.7
654I29.8Very low30Very low135 Ų135147.5 Ų147.569%0.69273%0.734SS**  cis-159.4141.8-7.1-158.3160.8000113.4
655I30.6Very low29.9Very low133 Ų133145.4 Ų145.468%0.68274%0.735SS**  trans52.7111.8157.8-71.7168.9000121.7
656H29.3Very low29.6Very low149 Ų149147.5 Ų147.569%0.6974%0.74SS**  trans54.1150139.9-76.2-88.2000122.6
657S31.4Very low29.6Very low87 Ų87147.5 Ų147.561%0.60874%0.744SS**  cis-154.4149.313.1-128.70000113.2
658R30.1Very low29.7Very low190 Ų190148.4 Ų148.472%0.71775%0.745SS**  43144.8120.1-64.1-172.9129.9117.36.7120.8
659D32.1Very low29.5Very low114 Ų114145 Ų14561%0.6174%0.739SS**  cis-163163.8-0.9-110.1-22.7000111.9
660L30.5Very low29.6Very low137 Ų137142.3 Ų142.372%0.71774%0.735SS**  trans44.5123.3160.1-78.576.4000120.9
661Y27.8Very low29.5Very low204 Ų204142.2 Ų142.280%0.874%0.738SS**  64.2110.875.4-98.2-96.7000116.8
662N30.6Very low29.3Very low152 Ų152143.5 Ų143.581%0.81375%0.747SS**  -178.7165.9114.6-92.8-30.8000114.8
663S30.1Very low29.2Very low93 Ų93143.3 Ų143.365%0.6575%0.75SS**  trans-96.2161-159.1-44.30000116.2
664I26.7Very low29.1Very low159 Ų159143.2 Ų143.282%0.81575%0.749SS**  44.1131.4127.4-65.7170.6000117.9
665P30Very low29.1Very low114 Ų114144 Ų14474%0.7475%0.754SS**  cis-145.4-176.244.332-7.8000118.5
666F24.2Very low29Very low191 Ų191145.6 Ų145.684%0.83876%0.762SS**  trans-42.8148.2152.7-107.4-118.6000114.1
667I29.7Very low29.1Very low162 Ų162143.8 Ų143.883%0.83176%0.761SS**  trans-163147.7135.4-102.9153.2000109.6
668T25.7Very low29Very low115 Ų115144 Ų14471%0.70676%0.763SS**  trans-103.2133.6178.649.40000111.6
669T30.2Very low29Very low128 Ų128141 Ų14179%0.78577%0.766SS**  trans-175.4130.8144.531.60000113.8
670T29.4Very low28.7Very low125 Ų125140.5 Ų140.577%0.76777%0.77SS**  trans39.8127.5141.259.90000123.9
671E29.7Very low28.6Very low190 Ų190141.1 Ų141.189%0.88877%0.773SS**  trans79.1152.6143.4-69.4-160.9164.500121.7
672P27.9Very low28.7Very low114 Ų114137.7 Ų137.774%0.7477%0.768SS**  trans-118.4136.3-154.237.7-23.1000114.8
673I29.1Very low28.5Very low168 Ų168136.4 Ų136.486%0.86277%0.766SS**  trans-128.7143174.2-64.2-176.7000111.6
674N26.5Very low28.6Very low147 Ų147138.6 Ų138.679%0.78677%0.77SS**  trans-67.3140.3-176-57.7-72.6000113.6
675I29.7Very low28.9Very low152 Ų152138.1 Ų138.178%0.77977%0.769SS**  trans-135.5116.1150.2-57.1-178.7000108.5T677I675-T677 HydrophobicContact CG2-CG2 4.1Å
676I28.7Very low28.9Very low166 Ų166139.8 Ų139.885%0.85177%0.77SS**  trans-123.5124.4163.8-66.9179.9000107
677T31.5Very low29.1Very low111 Ų111137.4 Ų137.468%0.68177%0.767SS**  trans-99.7127.9-173.135.40000113.3I675I675-T677 HydrophobicContact CG2-CG2 4.1Å
678S29.5Very low28.9Very low92 Ų92133.8 Ų133.864%0.64376%0.755SS**  trans48.2105.4141.462.70000120.6
679T28.7Very low29Very low127 Ų127135.1 Ų135.178%0.77976%0.757SS**  50.6151.4118.359.60000120.7
680C26.7Very low28.8Very low104 Ų104135.9 Ų135.970%0.70376%0.755SS**  cis-134.7147.924.2-58.60000111.6
681I28.7Very low28.7Very low150 Ų150138 Ų13877%0.76976%0.758SS**  57.5130.795-48.2165.3000112.9
682N29.9Very low28.6Very low132 Ų132137.7 Ų137.771%0.70675%0.754SS**  cis-138.8167.218.5-149.36.7000114.2
683T27.2Very low28.7Very low125 Ų125138.4 Ų138.477%0.76775%0.751SS**  trans-152.7131.1172.851.60000112.8
684D32Very low28.6Very low138 Ų138137 Ų13774%0.73875%0.751SS**  trans-150157.8167-84.7-55.4000111.3
685N32.5Very low28.7Very low149 Ų149133.7 Ų133.780%0.79775%0.751SS**  trans60.1106.9173.8-62-14.5000116.3
686I29.5Very low28.6Very low149 Ų149134.6 Ų134.676%0.76476%0.756SS**  cis58.7121.126.3-56.4178.5000110.5
687D28.4Very low28.3Very low142 Ų142133.6 Ų133.676%0.75975%0.751SS**  cis-145.3-171.514.3-141.9-37.7000114.3
688S26Very low28.2Very low85 Ų85137.1 Ų137.159%0.59476%0.759SS**  trans-45.5176.8174.365.50000118
689I26.7Very low28Very low143 Ų143137.4 Ų137.473%0.73376%0.757SS**  -171.515755.2-137.5160.7000114.7
690I26.9Very low27.9Very low144 Ų144137.8 Ų137.874%0.73875%0.754SS**  trans58.698.9158.9-66.4158.2000122.5
691M26.8Very low28Very low169 Ų169140.7 Ų140.783%0.83376%0.755SS**  29.1127.3112.2-126.5-172.6-161.500122.6
692K27.3Very low27.9Very low184 Ų184144 Ų14480%0.876%0.759SS**  -179.5164.9108.1-106179.1-1791760117
693N30.8Very low27.9Very low130 Ų130145.5 Ų145.570%0.69576%0.76SS**  trans69.887.9156.6-65.98.7000122.5
694T27.1Very low28.1Very low138 Ų138144.7 Ų144.785%0.84776%0.757SS**  42.7120.9117.856.70000121.4
695G28Very low28Very low77 Ų77142 Ų14279%0.79474%0.742SS**  trans-155.180.9170.500000114.8
696I26.7Very low28Very low171 Ų171138.9 Ų138.988%0.87773%0.725SS**  trans27.1128.2158.2-57.9176.7000120.7
697I23.5Very low28Very low145 Ų145138.4 Ų138.474%0.74472%0.723SS**  trans-46.2141.9170.9-61.9155.3000114.3
698H28.5Very low28Very low186 Ų186138.2 Ų138.286%0.86172%0.715SS**  trans-143.8132.6147.7-135.3-70.2000113.1
699T25.9Very low28.1Very low97 Ų97143.6 Ų143.660%0.59573%0.728SS**  trans-86.8-178.1179.448.30000113
700D26.3Very low28.2Very low135 Ų135144.9 Ų144.972%0.72273%0.728SS**  trans70.6109.2168.2-61.8-47.9000119.7
701K29.8Very low28.2Very low166 Ų166141.4 Ų141.472%0.72272%0.717SS**  trans-154.456.6149.8-137.3151.8-102.569.90115.2K703K701-K703 PolarHBondContact O-N 2.92Å
702Y27.2Very low28.1Very low218 Ų218141.3 Ų141.386%0.85572%0.719SS**  trans-88.884.6156.1-108.7-84.3000109.9
703K29.6Very low28Very low165 Ų165142.2 Ų142.272%0.71772%0.723SS**SBendtrans-138.9137.6165.1-95-174.1175.5178.40109.3K701 N705K701-K703 PolarHBondContact O-N 2.92Å; K703-N705 VanDerWaalsContact C-N 3.29Å; K703-N705 PolarHBondContact O-N 2.93Å
704P30Very low27.8Very low108 Ų108144.5 Ų144.570%0.70173%0.729SS**  trans-74.183.9173.631.2-33.5000109.7I706P704-I706 VanDerWaalsContact C-N 3.33Å; P704-I706 PolarHBondContact O-N 2.63Å
705N30.9Very low27.8Very low81 Ų81148.3 Ų148.343%0.43373%0.728SS.*  trans-74.582.4-177.7-70.8-24.1000111.8K703 K708K703-N705 VanDerWaalsContact C-N 3.29Å; K703-N705 PolarHBondContact O-N 2.93Å; N705-K708 HydrophobicContact CB-CB 4.24Å; N705-K708 HydrophobicContact CB-CG 4.24Å
706I31.8Very low28Very low84 Ų84151 Ų15143%0.43173%0.73SS.*SBendtrans-66.6-30164.9-63.2173.8000109.8P704 K708 M822P704-I706 VanDerWaalsContact C-N 3.33Å; P704-I706 PolarHBondContact O-N 2.63Å; I706-K708 PolarHBondContact O-N 3.29Å; I706-M822 HydrophobicContact CD1-CE 3.71Å; I706-M822 HydrophobicContact CG1-CE 3.97Å
707L29.2Very low28.1Very low138 Ų138151.7 Ų151.772%0.72373%0.729SS**SBendtrans-98.471171.7-78.480.5000112.7
708K28.3Very low28.4Very low138 Ų138153.6 Ų153.660%0.673%0.732SS**  trans-142.368.4156.9-87.3-126.2170.5-154.90112.2N705 I706N705-K708 HydrophobicContact CB-CB 4.24Å; N705-K708 HydrophobicContact CB-CG 4.24Å; I706-K708 PolarHBondContact O-N 3.29Å
709K28.9Very low28.5Very low199 Ų199151.3 Ų151.387%0.86572%0.721SS**SBendtrans-138.213.5162.1-142.7-162.8176.3-156.20114.4
710F28.6Very low28.7Very low169 Ų169153.7 Ų153.774%0.74173%0.725SS**SBendtrans-145.848-174.9-92.5-80000111.2P935F710-P935 HydrophobicContact CE1-CG 4.44Å; F710-P935 HydrophobicContact CE2-CG 4.28Å; F710-P935 HydrophobicContact CZ-CG 4.1Å
711S26Very low28.8Very low72 Ų72152.7 Ų152.750%0.50372%0.72SS.*  trans-154.665.9-179.173.10000112.3
712L26.7Very low28.9Very low167 Ų167151.3 Ų151.387%0.87472%0.716SS**  trans-156.847.5174.1-121.5177.2000112.4
713F25.2Very low29.2Very low202 Ų202146 Ų14689%0.88670%0.703SS**  trans-158.292171.3-126.9-82.6000110.2
714H25.9Very low29.4Very low178 Ų178144.4 Ų144.482%0.82470%0.702SS**  trans171.1154.4148.7-111.3-101.3000111
715R27.8Very low29.6Very low219 Ų219144.9 Ų144.983%0.82670%0.695SS**  trans67.9134.3-174.9-63.6-172.9173.8170.8-1114.1
716T31.1Very low29.7Very low134 Ų134149.5 Ų149.582%0.82271%0.711SS**  cis-151153.64.2-6.50000111.8
717Q28.9Very low29.7Very low184 Ų184148.4 Ų148.486%0.8672%0.72SS**  trans-75.8158.3172.8-62.5154.6-7800112.2
718K29.5Very low29.8Very low185 Ų185148.7 Ų148.780%0.80473%0.728SS**  trans-161.8122.8130.4-108.3-164.9171.9-173.90112.4
719H31.2Very low29.7Very low139 Ų139146.6 Ų146.664%0.64473%0.731SS**  trans47.3135.1153.5-62.3-68000123.6
720H29.3Very low29.6Very low147 Ų147143.4 Ų143.468%0.68172%0.722SS**  trans43.9142.8132.1-56.8-56.4000121.4
721D29Very low29.5Very low114 Ų114143.5 Ų143.561%0.6172%0.722SS**  cis-175.9175.5-3.2-102.41.6000106.5
722Q32.3Very low29.7Very low136 Ų136146.1 Ų146.164%0.63673%0.726SS**  cis-161.4173-5.3-123.317674.300108.8
723N32.5Very low29.9Very low108 Ų108145.9 Ų145.958%0.57872%0.721SS**  trans53.1113.7147.2-58.1-10.2000120.7
724N33.6Very low30.1Very low130 Ų130140.7 Ų140.770%0.69571%0.709SS**  9015088.4-74-0.8000113.9
725E35.3Very low30.2Very low119 Ų119137 Ų13756%0.55670%0.704SS**  cis-163159.44.8-126.4-177.6173.800112.3
726K33.6Very low30.2Very low178 Ų178132.6 Ų132.677%0.77470%0.696SS**  trans55148.5152.6-65.6156.1-174.4155.70120.2
727G30.7Very low30.1Very low61 Ų61133.9 Ų133.963%0.62969%0.693SS**  cis166.2173.9-6.500000112.9
728T30.7Very low30.1Very low144 Ų144132.4 Ų132.488%0.88369%0.69SS**  trans64148.2161.140.20000120.6
729S26.5Very low29.9Very low94 Ų94132 Ų13266%0.65769%0.689SS**  cis179.3177.7-25.442.10000112.2
730I27.6Very low30Very low131 Ų131130.8 Ų130.867%0.67269%0.693SS**  trans114.5123.8144.7-55.4-156.8000121.2
731F26.8Very low29.9Very low171 Ų171128.7 Ų128.775%0.7569%0.691SS**  trans57.8156.4153.9-67.2-31.5000123.3
732H30.3Very low29.9Very low128 Ų128128.7 Ų128.759%0.59369%0.691SS**  cis-157.4150.1-3.9-125.5-56.1000112.7
733Q30.1Very low29.7Very low162 Ų162132 Ų13276%0.75770%0.697SS**  trans59.4150147-86.3167.4-47.100121.2
734S28.9Very low29.4Very low92 Ų92133.9 Ų133.964%0.64371%0.707SS**  cis-155.4156.3-0.7-80.20000111.6
735S27.8Very low29.1Very low101 Ų101135.6 Ų135.671%0.70671%0.711SS**  trans57.9144.6146.8-750000121.7
736D29.5Very low28.8Very low126 Ų126135 Ų13567%0.67472%0.715SS**  cis-154144.60.6-96.5-24.9000112.4
737Q28.4Very low28.6Very low162 Ų162132.5 Ų132.576%0.75772%0.715SS**  trans53144.6147.4-55.6-177.751.700120.5
738L28.8Very low28.6Very low152 Ų152134 Ų13480%0.79672%0.716SS**  cis-149.7161.814.6-164.361.5000112.5
739F25.9Very low28.7Very low178 Ų178132 Ų13278%0.78171%0.708SS**  trans-86.8-169.5-178.8-82.6-103.8000113.8T741F739-T741 HydrophobicContact CD1-CG2 3.92Å; F739-T741 HydrophobicContact CE1-CG2 4.33Å
740P31.6Very low28.9Very low113 Ų113134.4 Ų134.473%0.73471%0.712SS**  cis-120.9164.3-13.813.612.5000113.2
741T28Very low29.1Very low102 Ų102133.9 Ų133.963%0.62671%0.71SS**  cis89.7151.742.6740000117.8F739F739-T741 HydrophobicContact CD1-CG2 3.92Å; F739-T741 HydrophobicContact CE1-CG2 4.33Å
742D28.7Very low29.2Very low114 Ų114132.4 Ų132.461%0.6171%0.709SS**  trans78.7139.7170.7-66.718.9000118.5
743R27.5Very low29Very low205 Ų205132.8 Ų132.877%0.77471%0.712SS**  cis-153.2145-11.6-94.9165.7-147.4-145.50.1107.4
744L26.9Very low29.1Very low149 Ų149133.7 Ų133.778%0.7872%0.716SS**  46.9134.879.6-86.187.4000115.8
745Q27.4Very low28.9Very low165 Ų165135.9 Ų135.977%0.77172%0.715SS**  cis-160.1-179.4-7.6-143.2178.8-000111.9
746T29.6Very low29.1Very low106 Ų106139.5 Ų139.565%0.6572%0.721SS**  trans-56.6166.4168.845.20000114.1
747T29.4Very low28.8Very low127 Ų127141.2 Ų141.278%0.77973%0.725SS**  167.6170.780.221.80000109.2
748S30.1Very low28.9Very low91 Ų91139.9 Ų139.964%0.63673%0.73SS**  cis-178.5175-19.855.60000112.4
749S32.4Very low28.7Very low102 Ų102141.8 Ų141.871%0.71373%0.732SS**  trans71.3179137.5600000122
750I31Very low28.6Very low146 Ų146137 Ų13775%0.74973%0.733SS**  trans94.8122.9-177.2-62.6170.3000113.3
751D31.1Very low28.4Very low119 Ų119140.7 Ų140.764%0.63674%0.74SS**  cis-153.6150.2-4.3-111.52.1000111.2
752L30.3Very low28.3Very low140 Ų140145.2 Ų145.273%0.73375%0.754SS**  48.5145.8100.1-59.4175.6000116.7
753E25.6Very low28.1Very low137 Ų137147.4 Ų147.464%0.6477%0.765SS**  cis-175149.6-22.7-174.1-176.8177.900106.4
754H31.9Very low27.9Very low181 Ų181145.6 Ų145.684%0.83877%0.766SS**  trans-175.3162.8139-106.666.6000115
755Q24.8Very low27.8Very low137 Ų137146.3 Ų146.364%0.6477%0.768SS**  trans-99.9151.2-162.6-51.5164.83.300114
756Q31.8Very low27.8Very low178 Ų178144.8 Ų144.883%0.83276%0.764SS**  162155.5115-87.8168.420.100113.6
757Q24.8Very low27.6Very low162 Ų162144.3 Ų144.376%0.75777%0.765SS**  trans-104.7162.7174.2-65.5-175.8-1200110.7
758P29.8Very low27.4Very low133 Ų133144.8 Ų144.886%0.86477%0.772SS**  -133.9177.910438.4-30.3000114.4
759K24Very low27.2Very low193 Ų193145.8 Ų145.884%0.83977%0.77SS**  trans-92.5148.1-173.4-59.8167.9-177.4169.20112.3
760G24.9Very low26.9Very low76 Ų76149 Ų14978%0.78477%0.771SS**  trans106.498.8132.200000118
761Q27.5Very low26.7Very low191 Ų191151 Ų15189%0.89378%0.777SS**  trans-148136.6139.4-111.4170.63.300108.7L763Q761-L763 PolarHBondContact O-N 3.32Å
762Q24.2Very low26.7Very low197 Ų197154.3 Ų154.392%0.92179%0.789SS**  trans-79.8114.2172.3-71.4169.2-88.600108
763L25Very low26.5Very low160 Ų160154.9 Ų154.984%0.83879%0.788SS**  trans-92.9102.2163.5-135.776.4000108.7Q761 I765Q761-L763 PolarHBondContact O-N 3.32Å; L763-I765 PolarHBondContact O-N 3.37Å
764E23Very low26.8Very low168 Ų168156.9 Ų156.979%0.78580%0.797SS**  trans-67.7107.6172.9-177167-149.600108.9I766E764-I766 VanDerWaalsContact C-N 3.28Å; E764-I766 PolarHBondContact O-N 2.91Å
765I26Very low26.9Very low163 Ų163156 Ų15684%0.83680%0.799SS**  trans-75.189.9175-58.7-179.4000107.5L763 S767L763-I765 PolarHBondContact O-N 3.37Å; I765-S767 PolarHBondContact O-N 3.5Å
766I26.2Very low27.1Very low134 Ų134154.7 Ų154.769%0.68780%0.8SS**  trans-53123.3-178.5-67.5171.9000110E764 C768E764-I766 VanDerWaalsContact C-N 3.28Å; E764-I766 PolarHBondContact O-N 2.91Å; I766-C768 PolarHBondContact O-N 2.95Å
767S25.8Very low26.9Very low96 Ų96155.3 Ų155.367%0.67180%0.8SS**  trans-66.3120.6169.9174.70000109.7I765 D769I765-S767 PolarHBondContact O-N 3.5Å; S767-D769 PolarHBondContact O-N 3.24Å
768C25.1Very low27.1Very low137 Ų137155.3 Ų155.393%0.92680%0.803SS**  trans-72.866.1168.1-59.80000111.7I766I766-C768 PolarHBondContact O-N 2.95Å
769D26.2Very low26.9Very low111 Ų111155.5 Ų155.559%0.59480%0.802SS**  trans-108.5164.1154-150-20.3000108.9S767S767-D769 PolarHBondContact O-N 3.24Å
770K26.8Very low27Very low169 Ų169150.4 Ų150.474%0.73580%0.796SS**  trans-78.6134.7-165.4-17.189.3-169.6144.30112.4
771Q26Very low27.1Very low188 Ų188155.5 Ų155.588%0.87980%0.801SS**  -176.3130.2120.4-101.8171.8-66.700111
772H30.7Very low27Very low189 Ų189151.7 Ų151.788%0.87579%0.792SS**  -159.6143.2123.2-123.2-79000110.7
773E27.2Very low27.2Very low152 Ų152149.7 Ų149.771%0.7179%0.787SS**  trans-129.9178.8168.8-168.4159.8-171.900106.5
774E30.3Very low27.4Very low180 Ų180148.5 Ų148.584%0.84179%0.786SS**  trans64.8101.8-175.2-54.2-172.4128.400114.9
775D36Very low27.6Very low163 Ų163145.1 Ų145.187%0.87278%0.781SS**  -153.4160.191.1-141.1-26.7000111.6
776T27.5Very low27.7Very low109 Ų109144.8 Ų144.867%0.66978%0.78SS**  trans-139.7151.1-167.3-45.30000113.6
777K27.3Very low28.1Very low191 Ų191146.4 Ų146.483%0.8379%0.788SS**  trans80.3130.5-180-44.6146.8-170.5164.50111
778I29.9Very low28.2Very low161 Ų161146 Ų14683%0.82679%0.785SS**  -149.6151.358.9-83.5162.2000110.6
779V25.8Very low28.3Very low138 Ų138146.3 Ų146.384%0.83678%0.777SS**  trans-106.4136.1170.8168.50000109.6
780A26Very low28.7Very low86 Ų86149.1 Ų149.171%0.71179%0.79SS**  trans56.4106.4165.300000118.3
781M26.1Very low28.9Very low182 Ų182147.5 Ų147.590%0.89780%0.795SS**  trans-150.3108.4135-112169.5-169.300112
782T27.2Very low29.4Very low112 Ų112143.9 Ų143.969%0.68779%0.788SS**  trans12.7128143.151.10000121.4
783N27.8Very low29.6Very low154 Ų154140.8 Ų140.882%0.82479%0.785SS**  trans70.8179143.2-60.8-9000118.4
784V28.1Very low29.9Very low135 Ų135139 Ų13982%0.81879%0.788SS**  trans76.283.8-179.1-167.70000114.4
785S27.4Very low29.9Very low97 Ų97139.2 Ų139.268%0.67879%0.792SS**  trans-47.8169.3146.550.10000113.5
786I28.1Very low29.7Very low157 Ų157139.5 Ų139.581%0.80579%0.788SS**  trans92.190.9177.3-49.3155.2000113.1
787I34.5Very low30Very low167 Ų167140.2 Ų140.286%0.85678%0.784SS**  -162.8136.7115.2-93.1154.8000106.5
788S27.8Very low30.4Very low87 Ų87138.5 Ų138.561%0.60878%0.783SS**  trans-105.3-177-177.646.60000111.9
789D27.4Very low31Very low145 Ų145138.2 Ų138.278%0.77578%0.778SS**  trans73.550153.6-46.3-44.7000119.5
790I34.2Very low32.3Very low169 Ų169135.2 Ų135.287%0.86776%0.757SS**  trans-132.3100.4144.3-52.5179.9000109.8
791T32.9Very low33.9Very low136 Ų136134.9 Ų134.983%0.83475%0.748SS**PPolyproline II helixtrans-85.6122.3172.334.10000111
792P34.8Very low35.4Very low111 Ų111132.3 Ų132.372%0.72174%0.738SS**PPolyproline II helixtrans-71.5150.7168.431.1-34000110.4
793P35.6Very low36.5Very low125 Ų125137.5 Ų137.581%0.81275%0.745SS**PPolyproline II helixtrans-64149.8-17926.5-34.3000112.2
794S33.5Very low37.8Very low113 Ų113133.7 Ų133.779%0.7972%0.722SS**PPolyproline II helixtrans-60.5139-176.247.60000112.9E796S794-E796 PolarHBondContact O-N 2.93Å
795M30.4Very low39.1Very low185 Ų185131.1 Ų131.191%0.91170%0.701SS**  trans-72.686.7179.5-164.9-170.4-48.700111Q797M795-Q797 PolarHBondContact O-N 3.34Å
796E31.5Very low40.8Very low170 Ų170132.4 Ų132.479%0.79470%0.696SS**  trans-61.8127176.3-163.7175.9140.600110.4S794 L798S794-E796 PolarHBondContact O-N 2.93Å; E796-L798 PolarHBondContact O-N 3.42Å
797Q35Very low42.4Very low123 Ų123128.1 Ų128.158%0.57567%0.67SS**  trans-72.1102.9-178-70.2-171.63.500109.9M795 Q799M795-Q797 PolarHBondContact O-N 3.34Å; Q797-Q799 PolarHBondContact O-N 2.9Å
798L34.7Very low43.3Very low156 Ų156126.3 Ų126.382%0.81765%0.654SS**  trans-71.371179.1-153.284.3000111.8E796 L800E796-L798 PolarHBondContact O-N 3.42Å; L798-L800 PolarHBondContact O-N 3.47Å
799Q43.5Very low45Very low155 Ų155125.4 Ų125.472%0.72464%0.644SS**PPolyproline II helixtrans-61.9116.4173.2-68.4-175.6-14.800109.1Q797 P801Q797-Q799 PolarHBondContact O-N 2.9Å; Q799-P801 WeakPolarHBondContact O-CD 3.24Å
800L52.9Low46.7Very low75 Ų75122.5 Ų122.539%0.39363%0.628SS.*PPolyproline II helixtrans-63.6124.5172.9-85.376.7000108.9L798 Q804 Q805 Y808L798-L800 PolarHBondContact O-N 3.47Å; L800-Q804 HydrophobicContact CB-CB 4.39Å; L800-Q804 HydrophobicContact CD2-CB 4.31Å; L800-Q805 HydrophobicContact CB-CG 4.49Å; L800-Y808 HydrophobicContact CD2-CE2 3.89Å
801P58.8Low48.1Very low79 Ų79120.6 Ų120.651%0.51361%0.61SS.*PPolyproline II helixtrans-55.3147178.7-26.534.3000112.1Q799 R803 Q804 Q805Q799-P801 WeakPolarHBondContact O-CD 3.24Å; P801-R803 PolarHBondContact O-N 3.41Å; P801-Q804 WeakPolarHBondContact O-CA 3.38Å; P801-Q804 WeakPolarHBondContact O-CB 3.5Å; P801-Q804 PolarHBondContact O-N 3Å; P801-Q805 PolarHBondContact O-N 3.31Å
802D57.2Low49.1Very low128 Ų128116 Ų11668%0.68458%0.584SS**Hα-helixtrans-52.8-35.7-172.3-59.3-62.5000113.7Q804 Q805 Q806D802-Q804 PolarHBondContact O-N 3.29Å; D802-Q805 PolarHBondContact O-N 3.15Å; D802-Q806 VanDerWaalsContact O-CB 3.32Å; D802-Q806 WeakPolarHBondContact O-CB 3.5Å; D802-Q806 PolarHBondContact O-N 3.41Å
803R50.4Low50.1Low221 Ų221117.1 Ų117.183%0.83458%0.577SS**Hα-helixtrans-55.4-36.8174-75.2-170.7173.7-163.40.3113P801 Y807P801-R803 PolarHBondContact O-N 3.41Å; R803-Y807 VanDerWaalsContact O-CB 3.32Å; R803-Y807 WeakPolarHBondContact O-CB 3.37Å; R803-Y807 PolarHBondContact O-N 3Å
804Q54.8Low51.3Low74 Ų74114.5 Ų114.535%0.34655%0.554SS.*Hα-helixtrans-73.3-46.4176.3-62.7-168.9-0.600111.2L800 P801 D802 Q806 Y807 Y808L800-Q804 HydrophobicContact CB-CB 4.39Å; L800-Q804 HydrophobicContact CD2-CB 4.31Å; P801-Q804 WeakPolarHBondContact O-CA 3.38Å; P801-Q804 WeakPolarHBondContact O-CB 3.5Å; P801-Q804 PolarHBondContact O-N 3Å; D802-Q804 PolarHBondContact O-N 3.29Å; Q804-Q806 VanDerWaalsContact C-N 3.32Å; Q804-Q806 PolarHBondContact O-N 2.84Å; Q804-Y807 WeakPolarHBondContact O-CB 3.42Å; Q804-Y807 PolarHBondContact O-N 3.16Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.35Å; Q804-Y808 PolarHBondContact O-N 3.11Å
805Q56.9Low52.5Low80 Ų80111.1 Ų111.137%0.37453%0.531SS..Hα-helixtrans-56.5-47.6174.8-63.1-166.517.600111.3L800 P801 D802 Y807 Y808 V809L800-Q805 HydrophobicContact CB-CG 4.49Å; P801-Q805 PolarHBondContact O-N 3.31Å; D802-Q805 PolarHBondContact O-N 3.15Å; Q805-Y807 VanDerWaalsContact C-N 3.32Å; Q805-Y807 PolarHBondContact O-N 3.49Å; Q805-Y808 PolarHBondContact O-N 2.97Å; Q805-Y808 VanDerWaalsContact O-N 3.14Å; Q805-V809 WeakPolarHBondContact O-CG2 3.46Å; Q805-V809 PolarHBondContact O-N 3.27Å
806Q62.7Low54Low125 Ų125105.1 Ų105.158%0.58450%0.502SS*.Hα-helixtrans-65.6-33179.4-157.7176.329.600112.2D802 Q804 V809 N810D802-Q806 VanDerWaalsContact O-CB 3.32Å; D802-Q806 WeakPolarHBondContact O-CB 3.5Å; D802-Q806 PolarHBondContact O-N 3.41Å; Q804-Q806 VanDerWaalsContact C-N 3.32Å; Q804-Q806 PolarHBondContact O-N 2.84Å; Q806-V809 PolarHBondContact O-N 3.11Å; Q806-N810 WeakPolarHBondContact O-CB 3.24Å; Q806-N810 VanDerWaalsContact O-CG 3.25Å; Q806-N810 PolarHBondContact O-N 3.01Å; Q806-N810 PolarHBondContact O-ND2 2.99Å
807Y60.9Low55.4Low66 Ų66101.9 Ų101.926%0.25949%0.487SS..Hα-helixtrans-63.2-45.5169.6170.4-111.3000112.2R803 Q804 Q805 V809 N810 R811 P936R803-Y807 VanDerWaalsContact O-CB 3.32Å; R803-Y807 WeakPolarHBondContact O-CB 3.37Å; R803-Y807 PolarHBondContact O-N 3Å; Q804-Y807 WeakPolarHBondContact O-CB 3.42Å; Q804-Y807 PolarHBondContact O-N 3.16Å; Q805-Y807 VanDerWaalsContact C-N 3.32Å; Q805-Y807 PolarHBondContact O-N 3.49Å; Y807-V809 PolarHBondContact O-N 2.93Å; Y807-N810 PolarHBondContact O-N 3.23Å; Y807-R811 VanDerWaalsContact O-CB 3.26Å; Y807-R811 WeakPolarHBondContact O-CB 3.28Å; Y807-R811 PolarHBondContact O-N 3.39Å; Y807-P936 HydrophobicContact CE2-CG 4.24Å
808Y53.2Low56.8Low130 Ų13099 Ų9951%0.5148%0.48SS..Hα-helixtrans-62.4-41.1174.8-71.3-69.9000112.3L800 Q804 Q805 R811 S812L800-Y808 HydrophobicContact CD2-CE2 3.89Å; Q804-Y808 WeakPolarHBondContact O-CD2 3.35Å; Q804-Y808 PolarHBondContact O-N 3.11Å; Q805-Y808 PolarHBondContact O-N 2.97Å; Q805-Y808 VanDerWaalsContact O-N 3.14Å; Y808-R811 PolarHBondContact O-N 3.42Å; Y808-S812 WeakPolarHBondContact O-CB 3.08Å; Y808-S812 PolarHBondContact O-N 3.32Å
809V63.5Low58.2Low68 Ų6893.7 Ų93.741%0.41245%0.453SS..Hα-helixtrans-65-42.6176171.30000112Q805 Q806 Y807 S812 K813Q805-V809 WeakPolarHBondContact O-CG2 3.46Å; Q805-V809 PolarHBondContact O-N 3.27Å; Q806-V809 PolarHBondContact O-N 3.11Å; Y807-V809 PolarHBondContact O-N 2.93Å; V809-S812 PolarHBondContact O-N 3.28Å; V809-S812 PolarHBondContact O-OG 2.72Å; V809-K813 HydrophobicContact CG1-CD 4.32Å; V809-K813 WeakPolarHBondContact O-CG 3.31Å; V809-K813 PolarHBondContact O-N 2.89Å
810N62.8Low59.4Low83 Ų8390.8 Ų90.844%0.44444%0.439SS..Hα-helixtrans-68.9-37.2177.5-73.1-21.2000111.7Q806 Y807 K813 Q814Q806-N810 WeakPolarHBondContact O-CB 3.24Å; Q806-N810 VanDerWaalsContact O-CG 3.25Å; Q806-N810 PolarHBondContact O-N 3.01Å; Q806-N810 PolarHBondContact O-ND2 2.99Å; Y807-N810 PolarHBondContact O-N 3.23Å; N810-K813 PolarHBondContact O-N 3.21Å; N810-Q814 WeakPolarHBondContact O-CB 3.21Å; N810-Q814 PolarHBondContact O-N 3.47Å
811R63.9Low60.4Low129 Ų12990.2 Ų90.249%0.48744%0.439SS..Hα-helixtrans-66.4-37.2174.6-167.6175.2-175.2-175.53.3112.6Y807 Y808 Q814 S815Y807-R811 VanDerWaalsContact O-CB 3.26Å; Y807-R811 WeakPolarHBondContact O-CB 3.28Å; Y807-R811 PolarHBondContact O-N 3.39Å; Y808-R811 PolarHBondContact O-N 3.42Å; R811-Q814 PolarHBondContact O-N 3.5Å; R811-S815 PolarHBondContact O-N 3.31Å
812S55Low60.8Low39 Ų3990.9 Ų90.927%0.27344%0.436SS..Hα-helixtrans-71.1-38.2175.574.70000112.1Y808 V809 S815 N816Y808-S812 WeakPolarHBondContact O-CB 3.08Å; Y808-S812 PolarHBondContact O-N 3.32Å; V809-S812 PolarHBondContact O-N 3.28Å; V809-S812 PolarHBondContact O-OG 2.72Å; S812-S815 PolarHBondContact O-N 3.45Å; S812-N816 WeakPolarHBondContact O-CB 3.34Å; S812-N816 PolarHBondContact O-N 3.22Å; S812-N816 PolarHBondContact O-ND2 3.22Å
813K55.9Low61.4Low135 Ų13587 Ų8759%0.58741%0.414SS*.Hα-helixtrans-58.5-47.6169.3-73.2172-178.8175.40111.5V809 N810 N816 Q817V809-K813 HydrophobicContact CG1-CD 4.32Å; V809-K813 WeakPolarHBondContact O-CG 3.31Å; V809-K813 PolarHBondContact O-N 2.89Å; N810-K813 PolarHBondContact O-N 3.21Å; K813-N816 PolarHBondContact O-N 3.1Å; K813-Q817 PolarHBondContact O-N 3.4Å
814Q60Low62.5Low70 Ų7083.1 Ų83.133%0.32740%0.399SS..Hα-helixtrans-66.7-38.8-179.4-158.118028.900112.5N810 R811 Q817 S818N810-Q814 WeakPolarHBondContact O-CB 3.21Å; N810-Q814 PolarHBondContact O-N 3.47Å; R811-Q814 PolarHBondContact O-N 3.5Å; Q814-Q817 PolarHBondContact O-N 2.97Å; Q814-S818 PolarHBondContact O-N 2.91Å; Q814-S818 VanDerWaalsContact O-N 3.09Å
815S58.2Low63Low43 Ų4382 Ų8230%0.30140%0.403SS..Hα-helixtrans-58.7-55.3171.2-165.10000110.4R811 S812 Q817 S818 D819R811-S815 PolarHBondContact O-N 3.31Å; S812-S815 PolarHBondContact O-N 3.45Å; S815-Q817 PolarHBondContact O-N 2.87Å; S815-Q817 VanDerWaalsContact O-N 3.17Å; S815-S818 CarbonylContact O-C 3.52Å; S815-S818 WeakPolarHBondContact O-CA 3.44Å; S815-S818 PolarHBondContact O-N 2.94Å; S815-S818 PolarHBondContact O-OG 3.42Å; S815-D819 PolarHBondContact O-N 3.42Å; S815-D819 PolarHBondContact OG-OD2 2.73Å
816N61.7Low63.5Low58 Ų5879.9 Ų79.931%0.3139%0.393SS..Hα-helixtrans-56.2-35.9-179.2-84.4-72.6000112.9H255 S812 K813 Q820H255-N816 PolarHBondContact NE2-ND2 3Å; S812-N816 WeakPolarHBondContact O-CB 3.34Å; S812-N816 PolarHBondContact O-N 3.22Å; S812-N816 PolarHBondContact O-ND2 3.22Å; K813-N816 PolarHBondContact O-N 3.1Å; N816-Q820 WeakPolarHBondContact O-CB 3.11Å; N816-Q820 VanDerWaalsContact O-CG 3.27Å; N816-Q820 WeakPolarHBondContact O-CG 3.29Å; N816-Q820 PolarHBondContact O-N 3.47Å
817Q61.8Low64Low103 Ų10377 Ų7748%0.48138%0.379SS..Hα-helixtrans-66.9-43.1173.8-164.2177.220.300112K813 Q814 S815 Q820 V821K813-Q817 PolarHBondContact O-N 3.4Å; Q814-Q817 PolarHBondContact O-N 2.97Å; S815-Q817 PolarHBondContact O-N 2.87Å; S815-Q817 VanDerWaalsContact O-N 3.17Å; Q817-Q820 PolarHBondContact O-N 3.42Å; Q817-V821 WeakPolarHBondContact O-CG2 3.22Å; Q817-V821 PolarHBondContact O-N 3.04Å
818S63.9Low64.4Low61 Ų6181.8 Ų81.843%0.42740%0.397SS..Hα-helixtrans-66.7-40176.777.60000112.9Q814 S815 V821 M822Q814-S818 PolarHBondContact O-N 2.91Å; Q814-S818 VanDerWaalsContact O-N 3.09Å; S815-S818 CarbonylContact O-C 3.52Å; S815-S818 WeakPolarHBondContact O-CA 3.44Å; S815-S818 PolarHBondContact O-N 2.94Å; S815-S818 PolarHBondContact O-OG 3.42Å; S818-V821 PolarHBondContact O-N 3.24Å; S818-M822 PolarHBondContact O-N 3.07Å
819D65.4Low65.3Low45 Ų4580.4 Ų80.424%0.24140%0.395CS..Hα-helixtrans-65.5-39.4176-73.3-58.3000111S815 M822 E823S815-D819 PolarHBondContact O-N 3.42Å; S815-D819 PolarHBondContact OG-OD2 2.73Å; D819-M822 PolarHBondContact O-N 3.11Å; D819-E823 WeakPolarHBondContact O-CB 3.45Å; D819-E823 PolarHBondContact O-N 3.34Å
820Q68Low65.7Low95 Ų9579.1 Ų79.144%0.44438%0.383SS..Hα-helixtrans-63.4-42171.3-79.7-175.146.800112.9N816 Q817 E823 R824N816-Q820 WeakPolarHBondContact O-CB 3.11Å; N816-Q820 VanDerWaalsContact O-CG 3.27Å; N816-Q820 WeakPolarHBondContact O-CG 3.29Å; N816-Q820 PolarHBondContact O-N 3.47Å; Q817-Q820 PolarHBondContact O-N 3.42Å; Q820-E823 PolarHBondContact O-N 3.44Å; Q820-R824 WeakPolarHBondContact O-CB 3.33Å; Q820-R824 WeakPolarHBondContact O-CD 3.44Å; Q820-R824 WeakPolarHBondContact O-CG 3.25Å; Q820-R824 PolarHBondContact O-N 3.18Å
821V73.3Confident66.5Low63 Ų6382.2 Ų82.238%0.38239%0.388SS..Hα-helixtrans-64.8-43.4177.2170.30000110.7Q817 S818 R824 A825Q817-V821 WeakPolarHBondContact O-CG2 3.22Å; Q817-V821 PolarHBondContact O-N 3.04Å; S818-V821 PolarHBondContact O-N 3.24Å; V821-R824 PolarHBondContact O-N 3Å; V821-A825 PolarHBondContact O-N 3.41Å
822M68.3Low66.9Low92 Ų9277.4 Ų77.445%0.45338%0.376SS..Hα-helixtrans-65.6-41.4176.1-17417658.500112.1I706 S818 D819 A825 E826I706-M822 HydrophobicContact CD1-CE 3.71Å; I706-M822 HydrophobicContact CG1-CE 3.97Å; S818-M822 PolarHBondContact O-N 3.07Å; D819-M822 PolarHBondContact O-N 3.11Å; M822-A825 WeakPolarHBondContact O-CB 3.18Å; M822-A825 PolarHBondContact O-N 3.17Å; M822-E826 PolarHBondContact O-N 3.4Å
823E69.1Low67.9Low46 Ų4676 Ų7622%0.21537%0.366CS..Hα-helixtrans-62.9-44.1173.8175.3168.3-158.100111.3R252 D819 Q820 A825 E826 Q827R252-E823 IonicContact CZ-OE1 3.62Å; R252-E823 IonicContact CZ-OE2 3.32Å; R252-E823 IonicContact NH1-OE1 2.78Å; R252-E823 PolarHBondContact NH1-OE1 3.28Å; R252-E823 IonicContact NH1-OE2 2.56Å; R252-E823 PolarHBondContact NH1-OE2 2.91Å; R252-E823 IonicContact NH2-OE1 3.51Å; R252-E823 PolarHBondContact NH2-OE1 3.33Å; R252-E823 IonicContact NH2-OE2 2.87Å; R252-E823 PolarHBondContact NH2-OE2 3.38Å; R252-E823 VanDerWaalsContact NH2-OE2 3.13Å; D819-E823 WeakPolarHBondContact O-CB 3.45Å; D819-E823 PolarHBondContact O-N 3.34Å; Q820-E823 PolarHBondContact O-N 3.44Å; E823-A825 PolarHBondContact O-N 3.2Å; E823-E826 PolarHBondContact O-N 2.95Å; E823-Q827 HydrophobicContact CG-CG 3.97Å; E823-Q827 WeakPolarHBondContact O-CB 3.47Å; E823-Q827 WeakPolarHBondContact O-CG 3.5Å; E823-Q827 PolarHBondContact O-N 3.46Å; E823-Q827 PolarHBondContact OE1-NE2 3.36Å
824R72.4Confident68.9Low140 Ų14077.8 Ų77.853%0.52837%0.374SS..Hα-helixtrans-58.5-39.5176.4-71.5166.1-163-166.77.6110.8Q820 V821 R828Q820-R824 WeakPolarHBondContact O-CB 3.33Å; Q820-R824 WeakPolarHBondContact O-CD 3.44Å; Q820-R824 WeakPolarHBondContact O-CG 3.25Å; Q820-R824 PolarHBondContact O-N 3.18Å; V821-R824 PolarHBondContact O-N 3Å; R824-R828 VanDerWaalsContact O-CG 3.27Å; R824-R828 WeakPolarHBondContact O-CG 3.27Å; R824-R828 PolarHBondContact O-N 3.33Å
825A66.1Low69.8Low51 Ų5179 Ų7942%0.42138%0.375SS..Hα-helixtrans-65.4-47.6173.900000112.6V821 M822 E823 Q827 R828 E829V821-A825 PolarHBondContact O-N 3.41Å; M822-A825 WeakPolarHBondContact O-CB 3.18Å; M822-A825 PolarHBondContact O-N 3.17Å; E823-A825 PolarHBondContact O-N 3.2Å; A825-Q827 VanDerWaalsContact C-N 3.34Å; A825-Q827 PolarHBondContact O-N 3.41Å; A825-R828 WeakPolarHBondContact O-CB 3.29Å; A825-R828 PolarHBondContact O-N 2.88Å; A825-R828 VanDerWaalsContact O-N 3.16Å; A825-E829 PolarHBondContact O-N 3.26Å
826E67.9Low70.8Confident35 Ų3578.6 Ų78.616%0.16437%0.369CS..Hα-helixtrans-69.4-30.9178.8-151.9-157154.300112.4I248 M822 E823 E829 R830I248-E826 WeakPolarHBondContact CD1-OE2 3.3Å; M822-E826 PolarHBondContact O-N 3.4Å; E823-E826 PolarHBondContact O-N 2.95Å; E826-E829 PolarHBondContact O-N 2.84Å; E826-R830 VanDerWaalsContact CD-NE 3.31Å; E826-R830 VanDerWaalsContact O-CB 3.32Å; E826-R830 WeakPolarHBondContact O-CB 3.32Å; E826-R830 WeakPolarHBondContact O-CG 3.35Å; E826-R830 PolarHBondContact O-N 2.63Å; E826-R830 IonicContact OE1-CZ 3.76Å; E826-R830 IonicContact OE1-NE 2.64Å; E826-R830 PolarHBondContact OE1-NE 3.45Å; E826-R830 IonicContact OE1-NH2 3.72Å; E826-R830 PolarHBondContact OE1-NH2 3.14Å; E826-R830 IonicContact OE2-CZ 2.84Å; E826-R830 IonicContact OE2-NE 3.45Å; E826-R830 IonicContact OE2-NH2 3.93Å; E826-R830 PolarHBondContact OE2-NH2 2.83Å
827Q71.9Confident71.8Confident65 Ų6576.8 Ų76.830%0.30436%0.364SS..Hα-helixtrans-65.2-38.6170.2-75.2-168.424.500111.5E823 A825 R831E823-Q827 HydrophobicContact CG-CG 3.97Å; E823-Q827 WeakPolarHBondContact O-CB 3.47Å; E823-Q827 WeakPolarHBondContact O-CG 3.5Å; E823-Q827 PolarHBondContact O-N 3.46Å; E823-Q827 PolarHBondContact OE1-NE2 3.36Å; A825-Q827 VanDerWaalsContact C-N 3.34Å; A825-Q827 PolarHBondContact O-N 3.41Å; Q827-R831 WeakPolarHBondContact O-CB 3.45Å; Q827-R831 WeakPolarHBondContact O-CG 3.24Å; Q827-R831 PolarHBondContact O-N 2.88Å; Q827-R831 VanDerWaalsContact OE1-NH2 3.13Å
828R71Confident73Confident167 Ų16775.1 Ų75.163%0.6336%0.358SS*.Hα-helixtrans-61.5-47.6172.9-72.7168.1-178.6-177.72110.5R824 A825 R831 A832R824-R828 VanDerWaalsContact O-CG 3.27Å; R824-R828 WeakPolarHBondContact O-CG 3.27Å; R824-R828 PolarHBondContact O-N 3.33Å; A825-R828 WeakPolarHBondContact O-CB 3.29Å; A825-R828 PolarHBondContact O-N 2.88Å; A825-R828 VanDerWaalsContact O-N 3.16Å; R828-R831 PolarHBondContact O-N 2.9Å; R828-A832 PolarHBondContact O-N 3.43Å
829E70.4Confident74Confident100 Ų10073 Ų7347%0.46734%0.341SS..Hα-helixtrans-61.1-50.1174.9-72.2-69.5167.700112.6R110 A825 E826 R831 A832 T833R110-E829 IonicContact NH1-OE2 2.77Å; A825-E829 PolarHBondContact O-N 3.26Å; E826-E829 PolarHBondContact O-N 2.84Å; E829-R831 VanDerWaalsContact C-N 3.3Å; E829-R831 PolarHBondContact O-N 3.5Å; E829-A832 WeakPolarHBondContact O-CB 3.29Å; E829-A832 PolarHBondContact O-N 3.22Å; E829-A832 VanDerWaalsContact O-N 3.09Å; E829-T833 PolarHBondContact O-N 2.7Å; E829-T833 PolarHBondContact O-OG1 2.98Å
830R73.2Confident75Confident42 Ų4271.9 Ų71.916%0.15834%0.336CS..Hα-helixtrans-59-39.2178-73.5172.4-172.2176.97.6112.2L241 T245 E826 K834L241-R830 HydrophobicContact CD1-CG 4.37Å; L241-R830 HydrophobicContact CD2-CG 4.07Å; T245-R830 PolarHBondContact OG1-NH1 3.31Å; E826-R830 VanDerWaalsContact CD-NE 3.31Å; E826-R830 VanDerWaalsContact O-CB 3.32Å; E826-R830 WeakPolarHBondContact O-CB 3.32Å; E826-R830 WeakPolarHBondContact O-CG 3.35Å; E826-R830 PolarHBondContact O-N 2.63Å; E826-R830 IonicContact OE1-CZ 3.76Å; E826-R830 IonicContact OE1-NE 2.64Å; E826-R830 PolarHBondContact OE1-NE 3.45Å; E826-R830 IonicContact OE1-NH2 3.72Å; E826-R830 PolarHBondContact OE1-NH2 3.14Å; E826-R830 IonicContact OE2-CZ 2.84Å; E826-R830 IonicContact OE2-NE 3.45Å; E826-R830 IonicContact OE2-NH2 3.93Å; E826-R830 PolarHBondContact OE2-NH2 2.83Å; R830-K834 WeakPolarHBondContact O-CG 3.3Å; R830-K834 PolarHBondContact O-N 3.39Å
831R78.3Confident76.1Confident148 Ų14872.1 Ų72.156%0.55834%0.339SS*.Hα-helixtrans-63.9-46.6173.8-72.5171.1-158.8-146.88110.5Q827 R828 E829 T833 K834 R835Q827-R831 WeakPolarHBondContact O-CB 3.45Å; Q827-R831 WeakPolarHBondContact O-CG 3.24Å; Q827-R831 PolarHBondContact O-N 2.88Å; Q827-R831 VanDerWaalsContact OE1-NH2 3.13Å; R828-R831 PolarHBondContact O-N 2.9Å; E829-R831 VanDerWaalsContact C-N 3.3Å; E829-R831 PolarHBondContact O-N 3.5Å; R831-T833 PolarHBondContact O-N 3.34Å; R831-K834 PolarHBondContact O-N 3.03Å; R831-R835 VanDerWaalsContact O-CD 3.24Å; R831-R835 WeakPolarHBondContact O-CD 3.18Å; R831-R835 WeakPolarHBondContact O-CG 3.3Å; R831-R835 PolarHBondContact O-N 3.45Å
832A72.6Confident77Confident27 Ų2770.8 Ų70.822%0.22333%0.329CS..Hα-helixtrans-57.9-47.717600000111.9R828 E829 K834 R835 M836R828-A832 PolarHBondContact O-N 3.43Å; E829-A832 WeakPolarHBondContact O-CB 3.29Å; E829-A832 PolarHBondContact O-N 3.22Å; E829-A832 VanDerWaalsContact O-N 3.09Å; A832-K834 PolarHBondContact O-N 2.54Å; A832-R835 WeakPolarHBondContact O-CB 3.36Å; A832-R835 PolarHBondContact O-N 3.36Å; A832-R835 VanDerWaalsContact O-N 3.13Å; A832-M836 WeakPolarHBondContact O-CG 3.26Å; A832-M836 PolarHBondContact O-N 3.47Å
833T76.6Confident78.1Confident10 Ų1066.6 Ų66.66%0.06131%0.308CS..Hα-helixtrans-63.6-39.6178.1-62.70000113.3I237 L241 E829 R831 R835 M836 G837I237-T833 HydrophobicContact CG2-CG2 3.33Å; L241-T833 HydrophobicContact CD1-CG2 3.61Å; E829-T833 PolarHBondContact O-N 2.7Å; E829-T833 PolarHBondContact O-OG1 2.98Å; R831-T833 PolarHBondContact O-N 3.34Å; T833-R835 VanDerWaalsContact C-N 3.26Å; T833-R835 PolarHBondContact O-N 3Å; T833-M836 PolarHBondContact O-N 3.42Å; T833-G837 PolarHBondContact O-N 3.46Å
834K76.3Confident79.1Confident173 Ų17365 Ų6575%0.75230%0.303SS*.Hα-helixtrans-57.5-39.2172.5-81.3-168.9172.1-162.20112.3R830 R831 A832 G837 L838R830-K834 WeakPolarHBondContact O-CG 3.3Å; R830-K834 PolarHBondContact O-N 3.39Å; R831-K834 PolarHBondContact O-N 3.03Å; A832-K834 PolarHBondContact O-N 2.54Å; K834-G837 PolarHBondContact O-N 3.2Å; K834-L838 PolarHBondContact O-N 2.89Å
835R79.8Confident80.1Confident94 Ų9463.9 Ų63.936%0.35531%0.307SS..Hα-helixtrans-67.8-41177.7-66.7151.1161.1-173.9-9.8111.8R831 A832 T833 G837 L838 I839 F893R831-R835 VanDerWaalsContact O-CD 3.24Å; R831-R835 WeakPolarHBondContact O-CD 3.18Å; R831-R835 WeakPolarHBondContact O-CG 3.3Å; R831-R835 PolarHBondContact O-N 3.45Å; A832-R835 WeakPolarHBondContact O-CB 3.36Å; A832-R835 PolarHBondContact O-N 3.36Å; A832-R835 VanDerWaalsContact O-N 3.13Å; T833-R835 VanDerWaalsContact C-N 3.26Å; T833-R835 PolarHBondContact O-N 3Å; R835-G837 VanDerWaalsContact C-N 3.27Å; R835-G837 PolarHBondContact O-N 3.27Å; R835-L838 WeakPolarHBondContact O-CB 3.43Å; R835-L838 PolarHBondContact O-N 2.89Å; R835-I839 PolarHBondContact O-N 3.35Å; R835-F893 HydrophobicContact CB-CB 4.21Å; R835-F893 HydrophobicContact CB-CD2 4.27Å; R835-F893 HydrophobicContact CB-CG 4.2Å; R835-F893 HydrophobicContact CG-CB 3.89Å; R835-F893 HydrophobicContact CG-CD1 3.98Å; R835-F893 HydrophobicContact CG-CD2 4.26Å; R835-F893 HydrophobicContact CG-CG 3.78Å; R835-F893 PolarHBondContact NH1-O 3.44Å; R835-F893 PolarHBondContact NH2-O 3.01Å
836M78.4Confident81.4Confident36 Ų3661.8 Ų61.818%0.17729%0.289CS..Hα-helixtrans-64.2-33.8173.4-56.5-54.5170.600112I51 R110 Y234 A832 T833 L838 I839I51-M836 HydrophobicContact CD1-CE 4.48Å; R110-M836 HydrophobicContact CG-CG 4.29Å; Y234-M836 HydrophobicContact CE1-CB 4.06Å; Y234-M836 WeakPolarHBondContact OH-CB 3.16Å; A832-M836 WeakPolarHBondContact O-CG 3.26Å; A832-M836 PolarHBondContact O-N 3.47Å; T833-M836 PolarHBondContact O-N 3.42Å; M836-L838 VanDerWaalsContact C-N 3.29Å; M836-L838 PolarHBondContact O-N 3.01Å; M836-I839 WeakPolarHBondContact O-CB 3.43Å; M836-I839 PolarHBondContact O-N 3.36Å; M836-I839 HydrophobicContact SD-CD1 3.68Å
837G83.9Confident82.7Confident19 Ų1961.5 Ų61.520%0.19629%0.286CS..Hα-helixtrans-57.4-38172.500000113.9T833 K834 R835 I840T833-G837 PolarHBondContact O-N 3.46Å; K834-G837 PolarHBondContact O-N 3.2Å; R835-G837 VanDerWaalsContact C-N 3.27Å; R835-G837 PolarHBondContact O-N 3.27Å; G837-I840 PolarHBondContact O-N 3.2Å
838L86.5Confident83.7Confident68 Ų6861.6 Ų61.636%0.35629%0.288SS..Hα-helixtrans-68.4-34.8177.6179.259.5000112.6K834 R835 M836 I840 I841 I842 F893K834-L838 PolarHBondContact O-N 2.89Å; R835-L838 WeakPolarHBondContact O-CB 3.43Å; R835-L838 PolarHBondContact O-N 2.89Å; M836-L838 VanDerWaalsContact C-N 3.29Å; M836-L838 PolarHBondContact O-N 3.01Å; L838-I840 VanDerWaalsContact C-N 3.29Å; L838-I840 PolarHBondContact O-N 3.32Å; L838-I841 PolarHBondContact O-N 3.37Å; L838-I842 HydrophobicContact CD1-CD1 4.12Å; L838-I842 HydrophobicContact CD1-CG1 4.32Å; L838-I842 HydrophobicContact CG-CD1 3.94Å; L838-I842 PolarHBondContact O-N 3.08Å; L838-I842 VanDerWaalsContact O-N 3.09Å; L838-F893 HydrophobicContact CD2-CE2 3.73Å; L838-F893 HydrophobicContact CD2-CZ 3.72Å
839I85.3Confident84.8Confident16 Ų1655.8 Ų55.88%0.08227%0.272CS..Hα-helixtrans-58.6-42.4177-56.6175000110.5L103 R835 M836 I841 I842 F843 L889 Y890L103-I839 HydrophobicContact CD2-CG2 3.84Å; R835-I839 PolarHBondContact O-N 3.35Å; M836-I839 WeakPolarHBondContact O-CB 3.43Å; M836-I839 PolarHBondContact O-N 3.36Å; M836-I839 HydrophobicContact SD-CD1 3.68Å; I839-I841 VanDerWaalsContact C-N 3.32Å; I839-I841 PolarHBondContact O-N 2.98Å; I839-I842 PolarHBondContact O-N 3.32Å; I839-F843 VanDerWaalsContact O-CB 3.28Å; I839-F843 WeakPolarHBondContact O-CB 3.44Å; I839-F843 PolarHBondContact O-N 3.49Å; I839-L889 HydrophobicContact CG1-CD1 3.89Å; I839-Y890 HydrophobicContact CD1-CE1 4.24Å
840I85.9Confident85.8Confident23 Ų2353 Ų5312%0.11826%0.259CS..Hα-helixtrans-63.6-39.3179.4-36.3151.1000111.2M230 Y234 G837 L838 F843 A844M230-I840 HydrophobicContact CB-CG2 4.42Å; Y234-I840 HydrophobicContact CD1-CD1 3.75Å; Y234-I840 HydrophobicContact CD2-CD1 3.12Å; Y234-I840 HydrophobicContact CD2-CG1 3.8Å; Y234-I840 HydrophobicContact CE1-CD1 4.07Å; Y234-I840 HydrophobicContact CE2-CD1 3.45Å; Y234-I840 VanDerWaalsContact CE2-CD1 3.45Å; Y234-I840 HydrophobicContact CE2-CG1 3.66Å; Y234-I840 HydrophobicContact CG-CD1 3.26Å; Y234-I840 HydrophobicContact CG-CG1 4.37Å; G837-I840 PolarHBondContact O-N 3.2Å; L838-I840 VanDerWaalsContact C-N 3.29Å; L838-I840 PolarHBondContact O-N 3.32Å; I840-F843 PolarHBondContact O-N 3.03Å; I840-A844 VanDerWaalsContact O-CB 3.24Å; I840-A844 WeakPolarHBondContact O-CB 3.36Å; I840-A844 PolarHBondContact O-N 2.93Å
841I90.5Very high86.7Confident100 Ų10051.4 Ų51.451%0.51325%0.254SS..Hα-helixtrans-68.2-43.7-177.7-64.1168.9000109.7L838 I839 A844 L845L838-I841 PolarHBondContact O-N 3.37Å; I839-I841 VanDerWaalsContact C-N 3.32Å; I839-I841 PolarHBondContact O-N 2.98Å; I841-A844 PolarHBondContact O-N 3.45Å; I841-L845 HydrophobicContact CG2-CD1 4.05Å; I841-L845 VanDerWaalsContact O-CG 3.27Å; I841-L845 WeakPolarHBondContact O-CG 3.41Å; I841-L845 PolarHBondContact O-N 2.89Å
842I92.5Very high87.4Confident35 Ų3549.2 Ų49.218%0.17925%0.252CS..Hα-helixtrans-62.4-49.9174.9-68.1167.6000110L838 I839 A844 L845 S846 I885 L889L838-I842 HydrophobicContact CD1-CD1 4.12Å; L838-I842 HydrophobicContact CD1-CG1 4.32Å; L838-I842 HydrophobicContact CG-CD1 3.94Å; L838-I842 PolarHBondContact O-N 3.08Å; L838-I842 VanDerWaalsContact O-N 3.09Å; I839-I842 PolarHBondContact O-N 3.32Å; I842-A844 VanDerWaalsContact C-N 3.32Å; I842-A844 PolarHBondContact O-N 2.94Å; I842-L845 PolarHBondContact O-N 3.47Å; I842-S846 PolarHBondContact O-N 3.22Å; I842-S846 PolarHBondContact O-OG 3.5Å; I842-I885 HydrophobicContact CD1-CG2 4.33Å; I842-I885 HydrophobicContact CG2-CD1 3.95Å; I842-I885 HydrophobicContact CG2-CG2 4.03Å; I842-L889 HydrophobicContact CD1-CD1 3.75Å; I842-L889 HydrophobicContact CD1-CD2 3.79Å; I842-L889 HydrophobicContact CD1-CG 4.4Å
843F91Very high88.2Confident3 Ų350.3 Ų50.31%0.01325%0.254CS..Hα-helixtrans-55.4-44.2176.1173.5-99.5000112.8V100 L103 F223 M230 I839 I840 S846 W847 N882V100-F843 HydrophobicContact CB-CZ 4.18Å; V100-F843 HydrophobicContact CG1-CE1 4.24Å; V100-F843 HydrophobicContact CG1-CZ 3.69Å; V100-F843 HydrophobicContact CG2-CE2 3.82Å; V100-F843 HydrophobicContact CG2-CZ 3.57Å; L103-F843 HydrophobicContact CD1-CB 4.27Å; L103-F843 HydrophobicContact CD1-CD1 4.3Å; L103-F843 HydrophobicContact CD1-CD2 3.55Å; L103-F843 HydrophobicContact CD1-CE2 3.95Å; L103-F843 HydrophobicContact CD1-CG 3.76Å; L103-F843 HydrophobicContact CD1-CZ 4.47Å; F223-F843 HydrophobicContact CD2-CE1 4.04Å; F223-F843 AromaticContact CD2-CZ 3.79Å; F223-F843 HydrophobicContact CD2-CZ 3.79Å; F223-F843 HydrophobicContact CE2-CD1 4.35Å; F223-F843 AromaticContact CE2-CE1 3.43Å; F223-F843 HydrophobicContact CE2-CE1 3.43Å; F223-F843 VanDerWaalsContact CE2-CE1 3.43Å; F223-F843 AromaticContact CE2-CZ 3.56Å; F223-F843 HydrophobicContact CE2-CZ 3.56Å; F223-F843 HydrophobicContact CZ-CE1 4.35Å; M230-F843 HydrophobicContact CE-CD1 3.92Å; M230-F843 HydrophobicContact CE-CE1 3.56Å; M230-F843 HydrophobicContact CE-CZ 4.38Å; I839-F843 VanDerWaalsContact O-CB 3.28Å; I839-F843 WeakPolarHBondContact O-CB 3.44Å; I839-F843 PolarHBondContact O-N 3.49Å; I840-F843 PolarHBondContact O-N 3.03Å; F843-S846 PolarHBondContact O-N 3.41Å; F843-W847 AromaticContact CD2-CD1 3.46Å; F843-W847 VanDerWaalsContact CD2-CD1 3.46Å; F843-W847 HydrophobicContact CD2-CG 4.24Å; F843-W847 HydrophobicContact CE2-CB 4.35Å; F843-W847 AromaticContact CE2-CD1 3.35Å; F843-W847 HydrophobicContact CE2-CD2 4.44Å; F843-W847 AromaticContact CE2-CG 3.79Å; F843-W847 HydrophobicContact CE2-CG 3.79Å; F843-W847 AromaticContact CE2-NE1 3.81Å; F843-W847 HydrophobicContact CZ-CB 4.35Å; F843-W847 HydrophobicContact CZ-CG 4.2Å; F843-W847 WeakPolarHBondContact O-CB 3.37Å; F843-W847 PolarHBondContact O-N 2.78Å; F843-N882 WeakPolarHBondContact CA-OD1 3.45Å
844A91.7Very high88.7Confident13 Ų1351.1 Ų51.111%0.10726%0.256CS..Hα-helixtrans-61.8-48.2176.600000112F227 I840 I841 I842 S846 W847 I848F227-A844 HydrophobicContact CE2-CB 3.62Å; F227-A844 HydrophobicContact CZ-CB 3.72Å; I840-A844 VanDerWaalsContact O-CB 3.24Å; I840-A844 WeakPolarHBondContact O-CB 3.36Å; I840-A844 PolarHBondContact O-N 2.93Å; I841-A844 PolarHBondContact O-N 3.45Å; I842-A844 VanDerWaalsContact C-N 3.32Å; I842-A844 PolarHBondContact O-N 2.94Å; A844-S846 VanDerWaalsContact C-N 3.26Å; A844-S846 PolarHBondContact O-N 3.03Å; A844-W847 PolarHBondContact O-N 3.47Å; A844-I848 HydrophobicContact CB-CD1 3.95Å; A844-I848 VanDerWaalsContact O-CB 3.22Å; A844-I848 WeakPolarHBondContact O-CB 3.27Å; A844-I848 WeakPolarHBondContact O-CD1 3.34Å; A844-I848 WeakPolarHBondContact O-CG1 3.42Å; A844-I848 PolarHBondContact O-N 3.48Å
845L93.1Very high89.4Confident117 Ų11744.4 Ų44.461%0.61323%0.228SC*.Hα-helixtrans-63.5-32.5178.3-69.6169.2000112.2I841 I842 P849I841-L845 HydrophobicContact CG2-CD1 4.05Å; I841-L845 VanDerWaalsContact O-CG 3.27Å; I841-L845 WeakPolarHBondContact O-CG 3.41Å; I841-L845 PolarHBondContact O-N 2.89Å; I842-L845 PolarHBondContact O-N 3.47Å; L845-P849 VanDerWaalsContact O-CD 3.29Å; L845-P849 WeakPolarHBondContact O-CD 3.15Å; L845-P849 WeakPolarHBondContact O-CG 3.48Å
846S93.6Very high89.8Confident6 Ų643.1 Ų43.14%0.04223%0.231CC..Hα-helixtrans-73.8-43.9176.6-71.10000113.7I842 F843 A844 L878I842-S846 PolarHBondContact O-N 3.22Å; I842-S846 PolarHBondContact O-OG 3.5Å; F843-S846 PolarHBondContact O-N 3.41Å; A844-S846 VanDerWaalsContact C-N 3.26Å; A844-S846 PolarHBondContact O-N 3.03Å; S846-L878 WeakPolarHBondContact CB-O 3.4Å; S846-L878 PolarHBondContact OG-O 2.96Å
847W93.4Very high90.1Very high29 Ų2944.5 Ų44.511%0.1123%0.234CC..Hα-helixtrans-102.9-21.4-166.7-78.789.3000115.7C96 F223 F843 A844 F850 T851 G879C96-W847 HydrophobicContact CB-CH2 3.94Å; C96-W847 HydrophobicContact CB-CZ2 4.45Å; C96-W847 WeakPolarHBondContact SG-CH2 3.29Å; F223-W847 HydrophobicContact CD2-CB 3.84Å; F223-W847 HydrophobicContact CE2-CB 3.31Å; F223-W847 HydrophobicContact CE2-CG 4.29Å; F223-W847 HydrophobicContact CZ-CB 4.02Å; F843-W847 AromaticContact CD2-CD1 3.46Å; F843-W847 VanDerWaalsContact CD2-CD1 3.46Å; F843-W847 HydrophobicContact CD2-CG 4.24Å; F843-W847 HydrophobicContact CE2-CB 4.35Å; F843-W847 AromaticContact CE2-CD1 3.35Å; F843-W847 HydrophobicContact CE2-CD2 4.44Å; F843-W847 AromaticContact CE2-CG 3.79Å; F843-W847 HydrophobicContact CE2-CG 3.79Å; F843-W847 AromaticContact CE2-NE1 3.81Å; F843-W847 HydrophobicContact CZ-CB 4.35Å; F843-W847 HydrophobicContact CZ-CG 4.2Å; F843-W847 WeakPolarHBondContact O-CB 3.37Å; F843-W847 PolarHBondContact O-N 2.78Å; A844-W847 PolarHBondContact O-N 3.47Å; W847-F850 HydrophobicContact CE3-CD1 4.3Å; W847-F850 HydrophobicContact CZ3-CD1 4.13Å; W847-F850 HydrophobicContact CZ3-CE1 4.43Å; W847-T851 WeakPolarHBondContact O-CB 3.27Å; W847-T851 PolarHBondContact O-N 2.78Å; W847-T851 VanDerWaalsContact O-N 3.08Å; W847-T851 PolarHBondContact O-OG1 3.25Å; W847-G879 PolarHBondContact NE1-O 2.92Å
848I94.2Very high90.1Very high67 Ų6744.2 Ų44.234%0.34423%0.231SC..Hα-helixtrans-60.2-45.2174-69.8170.9000111.8F223 F227 A844 F850 T851 L852F223-I848 HydrophobicContact CE1-CG1 3.99Å; F223-I848 HydrophobicContact CZ-CG1 3.77Å; F227-I848 HydrophobicContact CE1-CD1 3.88Å; F227-I848 HydrophobicContact CE1-CG1 4.4Å; F227-I848 HydrophobicContact CZ-CD1 3.86Å; A844-I848 HydrophobicContact CB-CD1 3.95Å; A844-I848 VanDerWaalsContact O-CB 3.22Å; A844-I848 WeakPolarHBondContact O-CB 3.27Å; A844-I848 WeakPolarHBondContact O-CD1 3.34Å; A844-I848 WeakPolarHBondContact O-CG1 3.42Å; A844-I848 PolarHBondContact O-N 3.48Å; I848-F850 PolarHBondContact O-N 3.19Å; I848-T851 PolarHBondContact O-N 2.97Å; I848-L852 WeakPolarHBondContact O-CB 3.31Å; I848-L852 PolarHBondContact O-N 3.4Å
849P94.2Very high90.1Very high45 Ų4546.5 Ų46.529%0.29224%0.243SC..Hα-helixtrans-60.1-46.7-177.3-26.336.9000113.2L845 M853 V875 L878L845-P849 VanDerWaalsContact O-CD 3.29Å; L845-P849 WeakPolarHBondContact O-CD 3.15Å; L845-P849 WeakPolarHBondContact O-CG 3.48Å; P849-M853 VanDerWaalsContact O-CB 3.3Å; P849-M853 WeakPolarHBondContact O-CB 3.36Å; P849-M853 PolarHBondContact O-N 3.46Å; P849-V875 HydrophobicContact CB-CB 4.12Å; P849-V875 HydrophobicContact CB-CG1 3.72Å; P849-L878 HydrophobicContact CB-CD2 4.45Å; P849-L878 HydrophobicContact CG-CD2 4.04Å
850F91.5Very high90.2Very high42 Ų4247.8 Ų47.818%0.18425%0.253CS..Hα-helixtrans-61.5-51.7175.6175-94.3000111.6L208 W847 I848 L852 M853 Y854 V875 T876L208-F850 HydrophobicContact CD2-CZ 4.25Å; W847-F850 HydrophobicContact CE3-CD1 4.3Å; W847-F850 HydrophobicContact CZ3-CD1 4.13Å; W847-F850 HydrophobicContact CZ3-CE1 4.43Å; I848-F850 PolarHBondContact O-N 3.19Å; F850-L852 VanDerWaalsContact C-N 3.34Å; F850-L852 PolarHBondContact O-N 2.73Å; F850-M853 HydrophobicContact CD2-CE 4.47Å; F850-M853 PolarHBondContact O-N 3.41Å; F850-Y854 WeakPolarHBondContact O-CB 3.4Å; F850-Y854 PolarHBondContact O-N 2.87Å; F850-V875 HydrophobicContact CB-CB 4.29Å; F850-V875 HydrophobicContact CB-CG2 4.19Å; F850-V875 HydrophobicContact CD2-CG2 4.25Å; F850-T876 WeakPolarHBondContact CD2-OG1 3.33Å; F850-T876 WeakPolarHBondContact CE2-OG1 3.3Å
851T91.8Very high89.7Confident8 Ų847.9 Ų47.95%0.04926%0.259CS..Hα-helixtrans-63.7-40.1-176.3-49.10000111.7A219 F223 I224 W847 I848 L855A219-T851 HydrophobicContact CB-CG2 4.18Å; F223-T851 HydrophobicContact CB-CG2 4.1Å; F223-T851 HydrophobicContact CD1-CG2 3.75Å; F223-T851 HydrophobicContact CG-CG2 4.14Å; I224-T851 HydrophobicContact CD1-CG2 4.29Å; I224-T851 HydrophobicContact CG1-CG2 4.33Å; W847-T851 WeakPolarHBondContact O-CB 3.27Å; W847-T851 PolarHBondContact O-N 2.78Å; W847-T851 VanDerWaalsContact O-N 3.08Å; W847-T851 PolarHBondContact O-OG1 3.25Å; I848-T851 PolarHBondContact O-N 2.97Å; T851-L855 WeakPolarHBondContact O-CB 3.32Å; T851-L855 PolarHBondContact O-N 3.38Å
852L92.3Very high88.9Confident102 Ų10248.2 Ų48.253%0.53426%0.259SS..Hα-helixtrans-67.4-45.4177.8-179.161.4000111.4I848 F850 L855 V856I848-L852 WeakPolarHBondContact O-CB 3.31Å; I848-L852 PolarHBondContact O-N 3.4Å; F850-L852 VanDerWaalsContact C-N 3.34Å; F850-L852 PolarHBondContact O-N 2.73Å; L852-L855 PolarHBondContact O-N 3.39Å; L852-V856 HydrophobicContact CD1-CG2 3.96Å; L852-V856 HydrophobicContact CG-CG2 4.37Å; L852-V856 VanDerWaalsContact O-CB 3.29Å; L852-V856 WeakPolarHBondContact O-CB 3.33Å; L852-V856 WeakPolarHBondContact O-CG2 3.18Å; L852-V856 PolarHBondContact O-N 3.41Å
853M89.7Confident88Confident51 Ų5155.2 Ų55.225%0.25129%0.291SS..Hα-helixtrans-59.7-48.1177.4178.5-1657200111.6P849 F850 V856 R857 L871 R872 V875P849-M853 VanDerWaalsContact O-CB 3.3Å; P849-M853 WeakPolarHBondContact O-CB 3.36Å; P849-M853 PolarHBondContact O-N 3.46Å; F850-M853 HydrophobicContact CD2-CE 4.47Å; F850-M853 PolarHBondContact O-N 3.41Å; M853-V856 PolarHBondContact O-N 2.94Å; M853-R857 WeakPolarHBondContact O-CB 3.41Å; M853-R857 PolarHBondContact O-N 2.97Å; M853-L871 HydrophobicContact SD-CG 4.49Å; M853-R872 HydrophobicContact CE-CB 4.04Å; M853-R872 HydrophobicContact CE-CG 3.89Å; M853-R872 HydrophobicContact SD-CB 4.19Å; M853-V875 HydrophobicContact CE-CG2 3.44Å; M853-V875 VanDerWaalsContact CE-CG2 3.44Å; M853-V875 HydrophobicContact SD-CG2 3.55Å; M853-V875 VanDerWaalsContact SD-CG2 3.55Å
854Y86.9Confident87.6Confident27 Ų2762.9 Ų62.911%0.10632%0.324CS..Hα-helixtrans-66.3-44.1-179.7180-128.1000112L208 F209 I215 F850 R857 G858L208-Y854 HydrophobicContact CB-CE2 4.46Å; L208-Y854 HydrophobicContact CD2-CD1 4.46Å; L208-Y854 HydrophobicContact CD2-CD2 3.65Å; L208-Y854 HydrophobicContact CD2-CE1 4.2Å; L208-Y854 HydrophobicContact CD2-CE2 3.33Å; L208-Y854 HydrophobicContact CD2-CG 4.2Å; L208-Y854 HydrophobicContact CG-CD2 4.34Å; L208-Y854 HydrophobicContact CG-CE2 3.54Å; F209-Y854 PolarHBondContact O-OH 2.96Å; I215-Y854 HydrophobicContact CB-CE1 4.38Å; I215-Y854 HydrophobicContact CD1-CE2 4.25Å; I215-Y854 HydrophobicContact CG1-CE1 4.29Å; I215-Y854 HydrophobicContact CG1-CE2 3.9Å; I215-Y854 HydrophobicContact CG2-CD1 3.99Å; I215-Y854 HydrophobicContact CG2-CD2 4.41Å; I215-Y854 HydrophobicContact CG2-CE1 3.87Å; I215-Y854 HydrophobicContact CG2-CE2 4.28Å; I215-Y854 HydrophobicContact CG2-CG 4.29Å; F850-Y854 WeakPolarHBondContact O-CB 3.4Å; F850-Y854 PolarHBondContact O-N 2.87Å; Y854-R857 PolarHBondContact O-N 2.95Å; Y854-G858 PolarHBondContact O-N 3.34Å
855L90.5Very high87.3Confident31 Ų3163.8 Ų63.816%0.16233%0.329CS..Hα-helixtrans-63-42.9175.7-177.464.5000112V216 A219 T851 L852 G858 L859V216-L855 HydrophobicContact CG2-CD1 3.93Å; A219-L855 HydrophobicContact CB-CD1 4.49Å; T851-L855 WeakPolarHBondContact O-CB 3.32Å; T851-L855 PolarHBondContact O-N 3.38Å; L852-L855 PolarHBondContact O-N 3.39Å; L855-G858 PolarHBondContact O-N 3.24Å; L855-L859 HydrophobicContact CD1-CD1 3.91Å; L855-L859 HydrophobicContact CD1-CG 4.29Å; L855-L859 HydrophobicContact CG-CD1 3.92Å; L855-L859 WeakPolarHBondContact O-CB 3.21Å; L855-L859 VanDerWaalsContact O-CG 3.25Å; L855-L859 WeakPolarHBondContact O-CG 3.49Å; L855-L859 PolarHBondContact O-N 2.85Å; L855-L859 VanDerWaalsContact O-N 3.1Å
856V89.9Confident86.7Confident68 Ų6862.8 Ų62.841%0.41233%0.33SS..Hα-helixtrans-61.1-52.7175.5166.40000110L852 M853 G858 L859 C860L852-V856 HydrophobicContact CD1-CG2 3.96Å; L852-V856 HydrophobicContact CG-CG2 4.37Å; L852-V856 VanDerWaalsContact O-CB 3.29Å; L852-V856 WeakPolarHBondContact O-CB 3.33Å; L852-V856 WeakPolarHBondContact O-CG2 3.18Å; L852-V856 PolarHBondContact O-N 3.41Å; M853-V856 PolarHBondContact O-N 2.94Å; V856-G858 VanDerWaalsContact C-N 3.28Å; V856-G858 PolarHBondContact O-N 3.36Å; V856-L859 PolarHBondContact O-N 3.08Å; V856-C860 PolarHBondContact O-N 3.45Å; V856-C860 PolarHBondContact O-SG 2.85Å
857R85Confident85.9Confident64 Ų6465.7 Ų65.724%0.24235%0.345CS..Hα-helixtrans-54.4-43.3178.3-176179.4179.683.3-7.3112.2M853 Y854 L859 G861 E862 C865M853-R857 WeakPolarHBondContact O-CB 3.41Å; M853-R857 PolarHBondContact O-N 2.97Å; Y854-R857 PolarHBondContact O-N 2.95Å; R857-L859 VanDerWaalsContact C-N 3.32Å; R857-L859 PolarHBondContact O-N 2.92Å; R857-G861 WeakPolarHBondContact O-CA 3.28Å; R857-G861 PolarHBondContact O-N 2.77Å; R857-E862 IonicContact CZ-OE1 3.45Å; R857-E862 IonicContact NE-OE1 3.6Å; R857-E862 IonicContact NH2-OE1 2.67Å; R857-E862 PolarHBondContact NH2-OE1 3.27Å; R857-C865 PolarHBondContact NH1-O 2.03Å
858G83.5Confident85.5Confident13 Ų1369.3 Ų69.313%0.13437%0.365CS..Hα-helixtrans-66.1-29.317800000114.8A212 Y854 L855 V856A212-G858 VanDerWaalsContact CB-O 3.28Å; A212-G858 WeakPolarHBondContact CB-O 3.37Å; Y854-G858 PolarHBondContact O-N 3.34Å; L855-G858 PolarHBondContact O-N 3.24Å; V856-G858 VanDerWaalsContact C-N 3.28Å; V856-G858 PolarHBondContact O-N 3.36Å
859L86.6Confident85Confident117 Ų11768.7 Ų68.761%0.61337%0.367SS*.Hα-helixtrans-92-36.2-177.7-69.6173.9000113.8V216 L855 V856 R857V216-L859 HydrophobicContact CG2-CD2 3.89Å; L855-L859 HydrophobicContact CD1-CD1 3.91Å; L855-L859 HydrophobicContact CD1-CG 4.29Å; L855-L859 HydrophobicContact CG-CD1 3.92Å; L855-L859 WeakPolarHBondContact O-CB 3.21Å; L855-L859 VanDerWaalsContact O-CG 3.25Å; L855-L859 WeakPolarHBondContact O-CG 3.49Å; L855-L859 PolarHBondContact O-N 2.85Å; L855-L859 VanDerWaalsContact O-N 3.1Å; V856-L859 PolarHBondContact O-N 3.08Å; R857-L859 VanDerWaalsContact C-N 3.32Å; R857-L859 PolarHBondContact O-N 2.92Å
860C86.6Confident84.6Confident43 Ų4371.2 Ų71.229%0.29138%0.378SS..Hα-helixtrans-84.2-23.6175.9610000113.1V856 F864 C865V856-C860 PolarHBondContact O-N 3.45Å; V856-C860 PolarHBondContact O-SG 2.85Å; C860-F864 HydrophobicContact CB-CB 4.21Å; C860-F864 WeakPolarHBondContact O-CD2 3.31Å; C860-C865 HydrophobicContact CB-CB 4.41Å; C860-C865 WeakPolarHBondContact CB-SG 3.43Å; C860-C865 WeakPolarHBondContact SG-CB 3.3Å; C860-C865 CovalentContact SG-SG 2.02Å; C860-C865 PolarHBondContact SG-SG 3.19Å
861G76.5Confident84.5Confident25 Ų2573 Ų7326%0.25839%0.389SS..  trans73.6164.7-170.800000113.6R857 Q863 F864 C865R857-G861 WeakPolarHBondContact O-CA 3.28Å; R857-G861 PolarHBondContact O-N 2.77Å; G861-Q863 PolarHBondContact O-N 2.97Å; G861-F864 PolarHBondContact O-N 3.25Å; G861-C865 PolarHBondContact O-N 3.22Å
862E72.6Confident84.4Confident106 Ų10677.6 Ų77.650%0.49541%0.406SS..THydrogen-bonded Turntrans-70.3-19.4-168.6-48.6-168.8130.900113.6R857R857-E862 IonicContact CZ-OE1 3.45Å; R857-E862 IonicContact NE-OE1 3.6Å; R857-E862 IonicContact NH2-OE1 2.67Å; R857-E862 PolarHBondContact NH2-OE1 3.27Å
863Q74.2Confident84.2Confident182 Ų18274.1 Ų74.185%0.8539%0.386SS*.THydrogen-bonded Turntrans-69.5-32.6177-65.2178.9-2.100113G861G861-Q863 PolarHBondContact O-N 2.97Å
864F81.9Confident84.3Confident164 Ų16478.1 Ų78.172%0.71940%0.403SS*.THydrogen-bonded Turntrans-105.1-26.7-175.1-66-79.5000113C860 G861C860-F864 HydrophobicContact CB-CB 4.21Å; C860-F864 WeakPolarHBondContact O-CD2 3.31Å; G861-F864 PolarHBondContact O-N 3.25Å
865C85.2Confident84.6Confident32 Ų3277.2 Ų77.222%0.21640%0.4CS..SBendtrans-118.589.7173.6-52.70000110R857 C860 G861R857-C865 PolarHBondContact NH1-O 2.03Å; C860-C865 HydrophobicContact CB-CB 4.41Å; C860-C865 WeakPolarHBondContact CB-SG 3.43Å; C860-C865 WeakPolarHBondContact SG-CB 3.3Å; C860-C865 CovalentContact SG-SG 2.02Å; C860-C865 PolarHBondContact SG-SG 3.19Å; G861-C865 PolarHBondContact O-N 3.22Å
866P80Confident84.7Confident97 Ų9776.9 Ų76.963%0.6340%0.399SS*.  trans-59.5150.5177.925.3-34.4000111.3I868P866-I868 PolarHBondContact O-N 2.76Å
867D78.1Confident84.9Confident67 Ų6774.5 Ų74.536%0.35838%0.383SS..  trans-74.8110.5178.1-173.455.6000110.6S869 R872D867-S869 PolarHBondContact O-N 3.01Å; D867-R872 IonicContact OD1-CZ 3.12Å; D867-R872 IonicContact OD1-NH1 3.47Å; D867-R872 PolarHBondContact OD1-NH1 3.5Å; D867-R872 IonicContact OD2-CZ 2.63Å; D867-R872 IonicContact OD2-NH1 2.68Å; D867-R872 PolarHBondContact OD2-NH1 3.24Å; D867-R872 IonicContact OD2-NH2 3.13Å
868I85.3Confident85.3Confident104 Ų10473.9 Ų73.953%0.53338%0.384SS..  trans-9390.1172.8-54.3177.3000107P866 D870 L871 R872P866-I868 PolarHBondContact O-N 2.76Å; I868-D870 PolarHBondContact O-N 3.24Å; I868-L871 HydrophobicContact CB-CB 3.88Å; I868-L871 HydrophobicContact CB-CD2 4.41Å; I868-L871 HydrophobicContact CD1-CD2 4.35Å; I868-L871 HydrophobicContact CG2-CB 3.57Å; I868-L871 WeakPolarHBondContact O-CB 3.46Å; I868-L871 PolarHBondContact O-N 3.05Å; I868-R872 PolarHBondContact O-N 2.97Å
869S83.2Confident85.8Confident54 Ų5473.3 Ų73.338%0.37838%0.378SS..Hα-helixtrans-51.9-48.2-172.155.10000113.6D867 L871 R872 K873D867-S869 PolarHBondContact O-N 3.01Å; S869-L871 PolarHBondContact O-N 2.89Å; S869-R872 WeakPolarHBondContact O-CB 3.49Å; S869-R872 PolarHBondContact O-N 3.17Å; S869-K873 WeakPolarHBondContact O-CG 3.37Å; S869-K873 PolarHBondContact O-N 2.95Å
870D85.8Confident86.2Confident99 Ų9968 Ų6853%0.52935%0.35SS..Hα-helixtrans-68-33.1179.4-66.2-43.3000112.7Y7 I868 F874Y7-D870 PolarHBondContact OH-OD1 3.4Å; I868-D870 PolarHBondContact O-N 3.24Å; D870-F874 WeakPolarHBondContact O-CB 3.48Å; D870-F874 PolarHBondContact O-N 3.43Å
871L89.4Confident86.5Confident79 Ų7967.9 Ų67.941%0.41435%0.348SS..Hα-helixtrans-67.6-42.3173.2178.362.9000110.7M853 I868 S869 F874 V875M853-L871 HydrophobicContact SD-CG 4.49Å; I868-L871 HydrophobicContact CB-CB 3.88Å; I868-L871 HydrophobicContact CB-CD2 4.41Å; I868-L871 HydrophobicContact CD1-CD2 4.35Å; I868-L871 HydrophobicContact CG2-CB 3.57Å; I868-L871 WeakPolarHBondContact O-CB 3.46Å; I868-L871 PolarHBondContact O-N 3.05Å; S869-L871 PolarHBondContact O-N 2.89Å; L871-F874 PolarHBondContact O-N 3.2Å; L871-V875 HydrophobicContact CD1-CG1 4.14Å; L871-V875 WeakPolarHBondContact O-CG2 3.46Å; L871-V875 PolarHBondContact O-N 3.48Å
872R88.7Confident87.3Confident104 Ų10466.9 Ų66.939%0.39234%0.337SS..Hα-helixtrans-57.3-52173.7178.4178.371.5-142.81.8110.6M853 D867 I868 S869 F874 V875 T876M853-R872 HydrophobicContact CE-CB 4.04Å; M853-R872 HydrophobicContact CE-CG 3.89Å; M853-R872 HydrophobicContact SD-CB 4.19Å; D867-R872 IonicContact OD1-CZ 3.12Å; D867-R872 IonicContact OD1-NH1 3.47Å; D867-R872 PolarHBondContact OD1-NH1 3.5Å; D867-R872 IonicContact OD2-CZ 2.63Å; D867-R872 IonicContact OD2-NH1 2.68Å; D867-R872 PolarHBondContact OD2-NH1 3.24Å; D867-R872 IonicContact OD2-NH2 3.13Å; I868-R872 PolarHBondContact O-N 2.97Å; S869-R872 WeakPolarHBondContact O-CB 3.49Å; S869-R872 PolarHBondContact O-N 3.17Å; R872-F874 VanDerWaalsContact C-N 3.33Å; R872-F874 PolarHBondContact O-N 3.01Å; R872-V875 PolarHBondContact O-N 3.46Å; R872-T876 WeakPolarHBondContact O-CB 3.28Å; R872-T876 PolarHBondContact O-N 3.41Å; R872-T876 PolarHBondContact O-OG1 2.85Å
873K89Confident88.4Confident30 Ų3062 Ų6213%0.1331%0.314CS..Hα-helixtrans-54.4-49.6176-69.6-172.3-177.9-172.50111.1Y7 D73 S869 V875 T876 W877Y7-K873 PolarHBondContact OH-NZ 3.43Å; D73-K873 HydrophobicContact CB-CD 4.27Å; D73-K873 PolarHBondContact O-NZ 3.39Å; D73-K873 WeakPolarHBondContact OD1-CD 3.49Å; D73-K873 WeakPolarHBondContact OD1-CE 3.27Å; D73-K873 WeakPolarHBondContact OD1-CG 3.17Å; D73-K873 IonicContact OD1-NZ 2.78Å; S869-K873 WeakPolarHBondContact O-CG 3.37Å; S869-K873 PolarHBondContact O-N 2.95Å; K873-V875 PolarHBondContact O-N 2.86Å; K873-T876 PolarHBondContact O-N 2.98Å; K873-W877 VanDerWaalsContact O-CD1 3.29Å; K873-W877 PolarHBondContact O-N 3.05Å
874F91.9Very high89.3Confident135 Ų13554.1 Ų54.159%0.59228%0.278SS*.Hα-helixtrans-57.8-49.2179.8178.5-98.9000113D870 L871 R872 L878D870-F874 WeakPolarHBondContact O-CB 3.48Å; D870-F874 PolarHBondContact O-N 3.43Å; L871-F874 PolarHBondContact O-N 3.2Å; R872-F874 VanDerWaalsContact C-N 3.33Å; R872-F874 PolarHBondContact O-N 3.01Å; F874-L878 HydrophobicContact CE1-CD2 4.31Å; F874-L878 VanDerWaalsContact O-CB 3.25Å; F874-L878 WeakPolarHBondContact O-CB 3.31Å; F874-L878 PolarHBondContact O-N 3.29Å
875V93.2Very high89.9Confident8 Ų848.3 Ų48.35%0.04826%0.255CS..Hα-helixtrans-73.3-31.2-178.1-58.20000113.2P849 F850 M853 L871 R872 K873 G879P849-V875 HydrophobicContact CB-CB 4.12Å; P849-V875 HydrophobicContact CB-CG1 3.72Å; F850-V875 HydrophobicContact CB-CB 4.29Å; F850-V875 HydrophobicContact CB-CG2 4.19Å; F850-V875 HydrophobicContact CD2-CG2 4.25Å; M853-V875 HydrophobicContact CE-CG2 3.44Å; M853-V875 VanDerWaalsContact CE-CG2 3.44Å; M853-V875 HydrophobicContact SD-CG2 3.55Å; M853-V875 VanDerWaalsContact SD-CG2 3.55Å; L871-V875 HydrophobicContact CD1-CG1 4.14Å; L871-V875 WeakPolarHBondContact O-CG2 3.46Å; L871-V875 PolarHBondContact O-N 3.48Å; R872-V875 PolarHBondContact O-N 3.46Å; K873-V875 PolarHBondContact O-N 2.86Å; V875-G879 PolarHBondContact O-N 3.03Å; V875-G879 VanDerWaalsContact O-N 3.11Å
876T92.1Very high90.2Very high24 Ų2446.8 Ų46.815%0.14724%0.244CC..Hα-helixtrans-64.1-50.3172.3-62.30000110.9F850 R872 K873 L878 G879 Y880F850-T876 WeakPolarHBondContact CD2-OG1 3.33Å; F850-T876 WeakPolarHBondContact CE2-OG1 3.3Å; R872-T876 WeakPolarHBondContact O-CB 3.28Å; R872-T876 PolarHBondContact O-N 3.41Å; R872-T876 PolarHBondContact O-OG1 2.85Å; K873-T876 PolarHBondContact O-N 2.98Å; T876-L878 VanDerWaalsContact C-N 3.32Å; T876-L878 PolarHBondContact O-N 3.4Å; T876-G879 WeakPolarHBondContact O-CA 3.34Å; T876-G879 PolarHBondContact O-N 3.27Å; T876-G879 VanDerWaalsContact O-N 3.07Å; T876-Y880 HydrophobicContact CG2-CD2 4.16Å; T876-Y880 HydrophobicContact CG2-CE2 3.56Å; T876-Y880 PolarHBondContact O-N 3.47Å
877W93.7Very high90.9Very high17 Ų1742.5 Ų42.56%0.06422%0.216CC..Hα-helixtrans-66-32.7177.9-81.989.4000113F19 I22 A70 D73 K873 G879 Y880 V881F19-W877 HydrophobicContact CB-CH2 3.75Å; F19-W877 HydrophobicContact CB-CZ2 4.09Å; F19-W877 HydrophobicContact CB-CZ3 4.31Å; F19-W877 AromaticContact CD1-CD2 3.7Å; F19-W877 HydrophobicContact CD1-CD2 3.7Å; F19-W877 AromaticContact CD1-CE2 3.5Å; F19-W877 AromaticContact CD1-CE3 3.82Å; F19-W877 HydrophobicContact CD1-CE3 3.82Å; F19-W877 AromaticContact CD1-CH2 3.64Å; F19-W877 HydrophobicContact CD1-CH2 3.64Å; F19-W877 AromaticContact CD1-CZ2 3.5Å; F19-W877 HydrophobicContact CD1-CZ2 3.5Å; F19-W877 VanDerWaalsContact CD1-CZ2 3.5Å; F19-W877 AromaticContact CD1-CZ3 3.79Å; F19-W877 HydrophobicContact CD1-CZ3 3.79Å; F19-W877 HydrophobicContact CD2-CZ2 4.3Å; F19-W877 AromaticContact CE1-CD1 3.95Å; F19-W877 AromaticContact CE1-CD2 3.64Å; F19-W877 HydrophobicContact CE1-CD2 3.64Å; F19-W877 AromaticContact CE1-CE2 3.46Å; F19-W877 VanDerWaalsContact CE1-CE2 3.46Å; F19-W877 HydrophobicContact CE1-CE3 4.19Å; F19-W877 AromaticContact CE1-CG 3.99Å; F19-W877 HydrophobicContact CE1-CG 3.99Å; F19-W877 HydrophobicContact CE1-CH2 4.45Å; F19-W877 AromaticContact CE1-CZ2 3.92Å; F19-W877 HydrophobicContact CE1-CZ2 3.92Å; F19-W877 AromaticContact CE1-NE1 3.64Å; F19-W877 AromaticContact CG-CH2 3.85Å; F19-W877 HydrophobicContact CG-CH2 3.85Å; F19-W877 AromaticContact CG-CZ2 3.73Å; F19-W877 HydrophobicContact CG-CZ2 3.73Å; F19-W877 HydrophobicContact CG-CZ3 4.37Å; F19-W877 HydrophobicContact CZ-CZ2 4.47Å; F19-W877 AromaticContact CZ-NE1 3.89Å; I22-W877 HydrophobicContact CB-CZ3 4.17Å; I22-W877 HydrophobicContact CD1-CE3 4.13Å; I22-W877 HydrophobicContact CD1-CZ3 4.35Å; I22-W877 HydrophobicContact CG2-CE3 4.22Å; I22-W877 HydrophobicContact CG2-CZ3 3.89Å; A70-W877 HydrophobicContact CB-CH2 4.06Å; A70-W877 HydrophobicContact CB-CZ2 4.07Å; D73-W877 PolarHBondContact OD2-NE1 2.99Å; K873-W877 VanDerWaalsContact O-CD1 3.29Å; K873-W877 PolarHBondContact O-N 3.05Å; W877-G879 VanDerWaalsContact C-N 3.29Å; W877-G879 PolarHBondContact O-N 2.88Å; W877-Y880 HydrophobicContact CD2-CD2 4.2Å; W877-Y880 HydrophobicContact CE3-CD2 4.33Å; W877-Y880 PolarHBondContact O-N 2.92Å; W877-V881 WeakPolarHBondContact O-CB 3.4Å; W877-V881 VanDerWaalsContact O-CG2 3.26Å; W877-V881 WeakPolarHBondContact O-CG2 3.39Å; W877-V881 PolarHBondContact O-N 3.4Å
878L94.2Very high91.6Very high51 Ų5143.6 Ų43.627%0.26722%0.221SC..Hα-helixtrans-61.8-36.4171179.763.6000112.3S846 P849 F874 T876S846-L878 WeakPolarHBondContact CB-O 3.4Å; S846-L878 PolarHBondContact OG-O 2.96Å; P849-L878 HydrophobicContact CB-CD2 4.45Å; P849-L878 HydrophobicContact CG-CD2 4.04Å; F874-L878 HydrophobicContact CE1-CD2 4.31Å; F874-L878 VanDerWaalsContact O-CB 3.25Å; F874-L878 WeakPolarHBondContact O-CB 3.31Å; F874-L878 PolarHBondContact O-N 3.29Å; T876-L878 VanDerWaalsContact C-N 3.32Å; T876-L878 PolarHBondContact O-N 3.4Å
879G93.3Very high91.8Very high1 Ų139.3 Ų39.31%0.0120%0.199CC..Hα-helixtrans-63.6-50.7170.900000112.4W847 V875 T876 W877 V881 N882W847-G879 PolarHBondContact NE1-O 2.92Å; V875-G879 PolarHBondContact O-N 3.03Å; V875-G879 VanDerWaalsContact O-N 3.11Å; T876-G879 WeakPolarHBondContact O-CA 3.34Å; T876-G879 PolarHBondContact O-N 3.27Å; T876-G879 VanDerWaalsContact O-N 3.07Å; W877-G879 VanDerWaalsContact C-N 3.29Å; W877-G879 PolarHBondContact O-N 2.88Å; G879-V881 PolarHBondContact O-N 3.48Å; G879-N882 WeakPolarHBondContact O-CB 3.15Å; G879-N882 PolarHBondContact O-N 2.98Å
880Y94.6Very high92.1Very high5 Ų537.2 Ų37.22%0.0218%0.183CC..Hα-helixtrans-61.6-37.9178.1-64.9-31.4000113.5L61 V65 L66 S69 D92 T876 W877 N882 S883L61-Y880 HydrophobicContact CD2-CD1 4.48Å; V65-Y880 HydrophobicContact CG1-CE1 4.25Å; L66-Y880 HydrophobicContact CD2-CD1 3.86Å; L66-Y880 HydrophobicContact CD2-CD2 3.45Å; L66-Y880 VanDerWaalsContact CD2-CD2 3.45Å; L66-Y880 HydrophobicContact CD2-CE1 4.27Å; L66-Y880 HydrophobicContact CD2-CE2 3.89Å; L66-Y880 HydrophobicContact CD2-CG 3.43Å; L66-Y880 VanDerWaalsContact CD2-CG 3.43Å; S69-Y880 PolarHBondContact OG-OH 2.98Å; D92-Y880 PolarHBondContact OD2-OH 3.34Å; T876-Y880 HydrophobicContact CG2-CD2 4.16Å; T876-Y880 HydrophobicContact CG2-CE2 3.56Å; T876-Y880 PolarHBondContact O-N 3.47Å; W877-Y880 HydrophobicContact CD2-CD2 4.2Å; W877-Y880 HydrophobicContact CE3-CD2 4.33Å; W877-Y880 PolarHBondContact O-N 2.92Å; Y880-N882 PolarHBondContact O-N 2.79Å; Y880-N882 VanDerWaalsContact O-N 3.12Å; Y880-S883 WeakPolarHBondContact O-CB 3.42Å; Y880-S883 PolarHBondContact O-N 3.32Å
881V93.7Very high92.3Very high42 Ų4233.7 Ų33.726%0.25517%0.168SC..Hα-helixtrans-61-21.6179.1162.90000113I22 W877 G879 S883 T884 I885I22-V881 HydrophobicContact CD1-CG2 4.28Å; I22-V881 HydrophobicContact CG2-CG2 4.08Å; W877-V881 WeakPolarHBondContact O-CB 3.4Å; W877-V881 VanDerWaalsContact O-CG2 3.26Å; W877-V881 WeakPolarHBondContact O-CG2 3.39Å; W877-V881 PolarHBondContact O-N 3.4Å; G879-V881 PolarHBondContact O-N 3.48Å; V881-S883 VanDerWaalsContact C-N 3.26Å; V881-S883 PolarHBondContact O-N 2.64Å; V881-T884 WeakPolarHBondContact O-CB 3.25Å; V881-T884 PolarHBondContact O-N 2.77Å; V881-T884 VanDerWaalsContact O-N 3.08Å; V881-T884 PolarHBondContact O-OG1 3.43Å; V881-I885 HydrophobicContact CG1-CD1 3.91Å; V881-I885 HydrophobicContact CG1-CG1 4.25Å; V881-I885 WeakPolarHBondContact O-CG1 3.49Å; V881-I885 PolarHBondContact O-N 2.78Å
882N93.2Very high92.3Very high4 Ų435 Ų352%0.02117%0.174CC..Hα-helixtrans-54.7-41.7170.7177.283.1000112.4F843 G879 Y880 T884 I885 N886F843-N882 WeakPolarHBondContact CA-OD1 3.45Å; G879-N882 WeakPolarHBondContact O-CB 3.15Å; G879-N882 PolarHBondContact O-N 2.98Å; Y880-N882 PolarHBondContact O-N 2.79Å; Y880-N882 VanDerWaalsContact O-N 3.12Å; N882-T884 VanDerWaalsContact C-N 3.29Å; N882-T884 PolarHBondContact O-N 2.86Å; N882-I885 PolarHBondContact O-N 2.91Å; N882-I885 VanDerWaalsContact O-N 3.15Å; N882-N886 PolarHBondContact O-N 3.4Å
883S94.9Very high92.1Very high4 Ų432.8 Ų32.83%0.02817%0.168CC..Hα-helixtrans-70.2-26.4179.3-61.40000112.1N30 D58 Y880 V881 P887N30-S883 PolarHBondContact ND2-O 3.39Å; D58-S883 VanDerWaalsContact CG-CB 3.43Å; D58-S883 WeakPolarHBondContact OD1-CB 3.36Å; D58-S883 PolarHBondContact OD1-OG 3.02Å; Y880-S883 WeakPolarHBondContact O-CB 3.42Å; Y880-S883 PolarHBondContact O-N 3.32Å; V881-S883 VanDerWaalsContact C-N 3.26Å; V881-S883 PolarHBondContact O-N 2.64Å; S883-P887 WeakPolarHBondContact O-CD 3.16Å
884T94.9Very high91.9Very high15 Ų1533.2 Ų33.29%0.09217%0.172CC..Hα-helixtrans-70.5-36.2169.7-34.10000111.8L25 T26 V881 N882L25-T884 HydrophobicContact CB-CG2 3.67Å; L25-T884 HydrophobicContact CD1-CG2 4.36Å; T26-T884 WeakPolarHBondContact OG1-CB 3.44Å; T26-T884 PolarHBondContact OG1-OG1 3.45Å; V881-T884 WeakPolarHBondContact O-CB 3.25Å; V881-T884 PolarHBondContact O-N 2.77Å; V881-T884 VanDerWaalsContact O-N 3.08Å; V881-T884 PolarHBondContact O-OG1 3.43Å; N882-T884 VanDerWaalsContact C-N 3.29Å; N882-T884 PolarHBondContact O-N 2.86Å
885I93.7Very high91.7Very high43 Ų4330 Ų3022%0.22116%0.163CC..Hα-helixtrans-72.4-33-177.6-66.8164000111.8I842 V881 N882 I888 L889I842-I885 HydrophobicContact CD1-CG2 4.33Å; I842-I885 HydrophobicContact CG2-CD1 3.95Å; I842-I885 HydrophobicContact CG2-CG2 4.03Å; V881-I885 HydrophobicContact CG1-CD1 3.91Å; V881-I885 HydrophobicContact CG1-CG1 4.25Å; V881-I885 WeakPolarHBondContact O-CG1 3.49Å; V881-I885 PolarHBondContact O-N 2.78Å; N882-I885 PolarHBondContact O-N 2.91Å; N882-I885 VanDerWaalsContact O-N 3.15Å; I885-I888 WeakPolarHBondContact O-CA 3.22Å; I885-I888 WeakPolarHBondContact O-CB 3.45Å; I885-I888 PolarHBondContact O-N 3.46Å; I885-L889 HydrophobicContact CG2-CD1 3.78Å; I885-L889 HydrophobicContact CG2-CD2 3.98Å; I885-L889 HydrophobicContact CG2-CG 3.66Å; I885-L889 WeakPolarHBondContact O-CG 3.29Å; I885-L889 PolarHBondContact O-N 2.78Å
886N91.7Very high91.4Very high0 Ų033.9 Ų33.90%018%0.18CC..Hα-helixtrans-49.3-55.3-177.6-85.9-27.5000114D58 N882 I888 L889 Y890D58-N886 PolarHBondContact OD2-ND2 3.33Å; N882-N886 PolarHBondContact O-N 3.4Å; N886-I888 VanDerWaalsContact C-N 3.3Å; N886-I888 PolarHBondContact O-N 3.5Å; N886-L889 PolarHBondContact O-N 2.96Å; N886-Y890 HydrophobicContact CB-CE2 4.08Å; N886-Y890 WeakPolarHBondContact O-CD2 3.4Å; N886-Y890 WeakPolarHBondContact O-CE2 3.45Å; N886-Y890 VanDerWaalsContact O-CG 3.3Å; N886-Y890 PolarHBondContact O-N 2.86Å; N886-Y890 VanDerWaalsContact O-N 3.12Å
887P93.5Very high91.3Very high7 Ų732.8 Ų32.85%0.04517%0.173CC..Hα-helixtrans-54.7-38.4173.4-28.835.5000114.8N30 V33 S883 Y890 A891N30-P887 HydrophobicContact CB-CG 4.43Å; N30-P887 WeakPolarHBondContact OD1-CG 3.48Å; V33-P887 HydrophobicContact CG2-CB 4.16Å; V33-P887 HydrophobicContact CG2-CG 4.22Å; S883-P887 WeakPolarHBondContact O-CD 3.16Å; P887-Y890 PolarHBondContact O-N 2.94Å; P887-A891 PolarHBondContact O-N 3.08Å
888I92.8Very high91.3Very high90 Ų9037.7 Ų37.746%0.46219%0.192SC..Hα-helixtrans-65.6-45-179.8-55.4175.7000109.9I885 N886 Y890 A891 L892I885-I888 WeakPolarHBondContact O-CA 3.22Å; I885-I888 WeakPolarHBondContact O-CB 3.45Å; I885-I888 PolarHBondContact O-N 3.46Å; N886-I888 VanDerWaalsContact C-N 3.3Å; N886-I888 PolarHBondContact O-N 3.5Å; I888-Y890 VanDerWaalsContact C-N 3.29Å; I888-Y890 PolarHBondContact O-N 2.96Å; I888-A891 PolarHBondContact O-N 3.45Å; I888-L892 HydrophobicContact CG2-CD1 4.02Å; I888-L892 HydrophobicContact CG2-CG 4.41Å; I888-L892 WeakPolarHBondContact O-CG 3.03Å; I888-L892 PolarHBondContact O-N 3.37Å
889L91.5Very high91Very high13 Ų1339.5 Ų39.57%0.06820%0.199CC..Hα-helixtrans-62.8-37.1176.3-56.8179000111.4I839 I842 I885 N886 F893I839-L889 HydrophobicContact CG1-CD1 3.89Å; I842-L889 HydrophobicContact CD1-CD1 3.75Å; I842-L889 HydrophobicContact CD1-CD2 3.79Å; I842-L889 HydrophobicContact CD1-CG 4.4Å; I885-L889 HydrophobicContact CG2-CD1 3.78Å; I885-L889 HydrophobicContact CG2-CD2 3.98Å; I885-L889 HydrophobicContact CG2-CG 3.66Å; I885-L889 WeakPolarHBondContact O-CG 3.29Å; I885-L889 PolarHBondContact O-N 2.78Å; N886-L889 PolarHBondContact O-N 2.96Å; L889-F893 HydrophobicContact CB-CD2 4.17Å; L889-F893 HydrophobicContact CB-CE2 4.35Å; L889-F893 HydrophobicContact CD2-CE2 3.91Å; L889-F893 VanDerWaalsContact O-CB 3.26Å; L889-F893 WeakPolarHBondContact O-CB 3.41Å; L889-F893 WeakPolarHBondContact O-CD2 3.19Å; L889-F893 WeakPolarHBondContact O-CG 3.47Å; L889-F893 PolarHBondContact O-N 3.01Å
890Y89.5Confident90.9Very high11 Ų1139.5 Ų39.54%0.04320%0.199CC..Hα-helixtrans-68.3-39.6175.5-53.8-32.3000112.3V33 I51 L54 I839 N886 P887 I888 N894V33-Y890 HydrophobicContact CG1-CD2 4.13Å; V33-Y890 HydrophobicContact CG1-CE2 4.33Å; V33-Y890 HydrophobicContact CG2-CD2 3.7Å; V33-Y890 HydrophobicContact CG2-CE2 4.29Å; I51-Y890 HydrophobicContact CG2-CD1 4.41Å; I51-Y890 HydrophobicContact CG2-CD2 3.98Å; I51-Y890 HydrophobicContact CG2-CE1 4.06Å; I51-Y890 HydrophobicContact CG2-CE2 3.57Å; I51-Y890 HydrophobicContact CG2-CG 4.4Å; L54-Y890 WeakPolarHBondContact CD2-OH 3.07Å; I839-Y890 HydrophobicContact CD1-CE1 4.24Å; N886-Y890 HydrophobicContact CB-CE2 4.08Å; N886-Y890 WeakPolarHBondContact O-CD2 3.4Å; N886-Y890 WeakPolarHBondContact O-CE2 3.45Å; N886-Y890 VanDerWaalsContact O-CG 3.3Å; N886-Y890 PolarHBondContact O-N 2.86Å; N886-Y890 VanDerWaalsContact O-N 3.12Å; P887-Y890 PolarHBondContact O-N 2.94Å; I888-Y890 VanDerWaalsContact C-N 3.29Å; I888-Y890 PolarHBondContact O-N 2.96Å; Y890-N894 WeakPolarHBondContact O-CA 3.44Å; Y890-N894 WeakPolarHBondContact O-CB 3.21Å; Y890-N894 PolarHBondContact O-N 2.99Å
891A90Very high90.8Very high25 Ų2540.2 Ų40.221%0.20720%0.202CC..Hα-helixtrans-63.2-44174.500000112.4P887 I888 R898 F901P887-A891 PolarHBondContact O-N 3.08Å; I888-A891 PolarHBondContact O-N 3.45Å; A891-R898 WeakPolarHBondContact O-CB 3.44Å; A891-R898 VanDerWaalsContact O-CD 3.26Å; A891-R898 WeakPolarHBondContact O-CD 3.41Å; A891-R898 WeakPolarHBondContact O-CG 3.48Å; A891-F901 HydrophobicContact CB-CD2 3.76Å; A891-F901 HydrophobicContact CB-CE2 3.86Å
892L89.1Confident90.6Very high105 Ų10542.1 Ų42.155%0.5521%0.21SC..Hα-helixtrans-69.5-39.6179.9-69.2173.5000112.4I888I888-L892 HydrophobicContact CG2-CD1 4.02Å; I888-L892 HydrophobicContact CG2-CG 4.41Å; I888-L892 WeakPolarHBondContact O-CG 3.03Å; I888-L892 PolarHBondContact O-N 3.37Å
893F84.2Confident90.4Very high59 Ų5944.3 Ų44.326%0.25922%0.218SC..Hα-helixtrans-108.3-23.7-166.1-60.5-43.4000115.8R835 L838 L889R835-F893 HydrophobicContact CB-CB 4.21Å; R835-F893 HydrophobicContact CB-CD2 4.27Å; R835-F893 HydrophobicContact CB-CG 4.2Å; R835-F893 HydrophobicContact CG-CB 3.89Å; R835-F893 HydrophobicContact CG-CD1 3.98Å; R835-F893 HydrophobicContact CG-CD2 4.26Å; R835-F893 HydrophobicContact CG-CG 3.78Å; R835-F893 PolarHBondContact NH1-O 3.44Å; R835-F893 PolarHBondContact NH2-O 3.01Å; L838-F893 HydrophobicContact CD2-CE2 3.73Å; L838-F893 HydrophobicContact CD2-CZ 3.72Å; L889-F893 HydrophobicContact CB-CD2 4.17Å; L889-F893 HydrophobicContact CB-CE2 4.35Å; L889-F893 HydrophobicContact CD2-CE2 3.91Å; L889-F893 VanDerWaalsContact O-CB 3.26Å; L889-F893 WeakPolarHBondContact O-CB 3.41Å; L889-F893 WeakPolarHBondContact O-CD2 3.19Å; L889-F893 WeakPolarHBondContact O-CG 3.47Å; L889-F893 PolarHBondContact O-N 3.01Å
894N85Confident90.2Very high39 Ų3946.7 Ų46.721%0.20923%0.228CC..  trans-108.5103.7177.8-171.4-20.9000110.6Y890 H896 F897 R898Y890-N894 WeakPolarHBondContact O-CA 3.44Å; Y890-N894 WeakPolarHBondContact O-CB 3.21Å; Y890-N894 PolarHBondContact O-N 2.99Å; N894-H896 PolarHBondContact O-N 3.11Å; N894-H896 VanDerWaalsContact O-N 3.08Å; N894-H896 PolarHBondContact OD1-N 2.95Å; N894-H896 VanDerWaalsContact OD1-N 3.08Å; N894-F897 HydrophobicContact CB-CB 4.25Å; N894-F897 HydrophobicContact CB-CD2 3.86Å; N894-F897 VanDerWaalsContact ND2-CD2 3.26Å; N894-F897 WeakPolarHBondContact ND2-CD2 3.16Å; N894-F897 PolarHBondContact O-N 2.88Å; N894-R898 PolarHBondContact O-N 3.44Å
895V86.6Confident89.8Confident66 Ų6652.4 Ų52.440%0.426%0.258SS..Hα-helixtrans-53.4-33.4-178.7-1800000112.2R898 Q899V895-R898 PolarHBondContact O-N 2.89Å; V895-Q899 HydrophobicContact CG1-CG 4.43Å; V895-Q899 WeakPolarHBondContact O-CB 3.18Å; V895-Q899 WeakPolarHBondContact O-CG 3.26Å; V895-Q899 PolarHBondContact O-N 3.44Å; V895-Q899 PolarHBondContact O-OE1 3.4Å
896H87.9Confident89.4Confident91 Ų9157.1 Ų57.142%0.42128%0.276SS..Hα-helixtrans-77.7-34.3-179.8-59.6-42.8000113.4L43 N894 Q899 A900L43-H896 HydrophobicContact CD2-CB 3.54Å; L43-H896 HydrophobicContact CG-CB 4.24Å; N894-H896 PolarHBondContact O-N 3.11Å; N894-H896 VanDerWaalsContact O-N 3.08Å; N894-H896 PolarHBondContact OD1-N 2.95Å; N894-H896 VanDerWaalsContact OD1-N 3.08Å; H896-Q899 PolarHBondContact ND1-OE1 2.88Å; H896-A900 WeakPolarHBondContact O-CB 3.18Å; H896-A900 PolarHBondContact O-N 3.49Å
897F90.4Very high88.2Confident0 Ų062.4 Ų62.40%031%0.312CS..Hα-helixtrans-69.3-40168.2-78.6-59.4000110.6V33 A36 L37 L43 I51 N894 Q899 A900 F901V33-F897 HydrophobicContact CG1-CE1 4.07Å; V33-F897 HydrophobicContact CG1-CZ 4.15Å; A36-F897 HydrophobicContact CB-CD1 3.93Å; A36-F897 HydrophobicContact CB-CE1 4.01Å; L37-F897 HydrophobicContact CD2-CE1 4.06Å; L37-F897 HydrophobicContact CD2-CZ 3.98Å; L43-F897 HydrophobicContact CD1-CD1 3.82Å; L43-F897 HydrophobicContact CD1-CE1 3.99Å; L43-F897 HydrophobicContact CD2-CD1 4.22Å; L43-F897 HydrophobicContact CD2-CE1 4.23Å; L43-F897 HydrophobicContact CD2-CG 4.36Å; L43-F897 HydrophobicContact CD2-CZ 4.39Å; I51-F897 HydrophobicContact CD1-CE2 4.33Å; I51-F897 HydrophobicContact CG2-CE2 4Å; I51-F897 HydrophobicContact CG2-CZ 4.1Å; N894-F897 HydrophobicContact CB-CB 4.25Å; N894-F897 HydrophobicContact CB-CD2 3.86Å; N894-F897 VanDerWaalsContact ND2-CD2 3.26Å; N894-F897 WeakPolarHBondContact ND2-CD2 3.16Å; N894-F897 PolarHBondContact O-N 2.88Å; F897-Q899 VanDerWaalsContact C-N 3.34Å; F897-Q899 PolarHBondContact O-N 3.41Å; F897-A900 WeakPolarHBondContact O-CB 2.98Å; F897-A900 PolarHBondContact O-N 3.03Å; F897-A900 VanDerWaalsContact O-N 3.14Å; F897-F901 HydrophobicContact CD1-CE1 4.49Å; F897-F901 VanDerWaalsContact O-CD1 3.29Å; F897-F901 WeakPolarHBondContact O-CD1 3.45Å; F897-F901 WeakPolarHBondContact O-CG 3.34Å; F897-F901 PolarHBondContact O-N 3.23Å
898R92.2Very high86.7Confident121 Ų12165.6 Ų65.646%0.45733%0.332SS..Hα-helixtrans-58-44173.6-161.3176.169.4-172.76.4112.6A891 N894 V895 F901 I902A891-R898 WeakPolarHBondContact O-CB 3.44Å; A891-R898 VanDerWaalsContact O-CD 3.26Å; A891-R898 WeakPolarHBondContact O-CD 3.41Å; A891-R898 WeakPolarHBondContact O-CG 3.48Å; N894-R898 PolarHBondContact O-N 3.44Å; V895-R898 PolarHBondContact O-N 2.89Å; R898-F901 PolarHBondContact O-N 3.06Å; R898-I902 HydrophobicContact CG-CD1 4.11Å; R898-I902 WeakPolarHBondContact O-CB 3.27Å; R898-I902 VanDerWaalsContact O-CG1 3.26Å; R898-I902 WeakPolarHBondContact O-CG1 3.35Å; R898-I902 PolarHBondContact O-N 3.38Å
899Q89.5Confident84.9Confident89 Ų8968 Ų6842%0.41634%0.341SS..Hα-helixtrans-61.8-43.7173.8-77.4168.6-38.800111.8V895 H896 F897 I902 Y903V895-Q899 HydrophobicContact CG1-CG 4.43Å; V895-Q899 WeakPolarHBondContact O-CB 3.18Å; V895-Q899 WeakPolarHBondContact O-CG 3.26Å; V895-Q899 PolarHBondContact O-N 3.44Å; V895-Q899 PolarHBondContact O-OE1 3.4Å; H896-Q899 PolarHBondContact ND1-OE1 2.88Å; F897-Q899 VanDerWaalsContact C-N 3.34Å; F897-Q899 PolarHBondContact O-N 3.41Å; Q899-I902 PolarHBondContact O-N 2.92Å; Q899-Y903 WeakPolarHBondContact O-CB 3.41Å; Q899-Y903 PolarHBondContact O-N 3.38Å
900A90.5Very high83.2Confident1 Ų169.5 Ų69.51%0.00835%0.348CS..Hα-helixtrans-62.9-42.3175.700000112.5A36 F40 L43 H896 F897 Y903 F904A36-A900 HydrophobicContact CB-CB 3.79Å; F40-A900 HydrophobicContact CD2-CB 3.61Å; F40-A900 HydrophobicContact CE2-CB 3.41Å; F40-A900 VanDerWaalsContact CE2-CB 3.41Å; F40-A900 HydrophobicContact CZ-CB 4.19Å; L43-A900 HydrophobicContact CD1-CB 3.95Å; H896-A900 WeakPolarHBondContact O-CB 3.18Å; H896-A900 PolarHBondContact O-N 3.49Å; F897-A900 WeakPolarHBondContact O-CB 2.98Å; F897-A900 PolarHBondContact O-N 3.03Å; F897-A900 VanDerWaalsContact O-N 3.14Å; A900-Y903 WeakPolarHBondContact O-CB 3.46Å; A900-Y903 PolarHBondContact O-N 3.15Å; A900-F904 HydrophobicContact CB-CE2 4.46Å; A900-F904 WeakPolarHBondContact O-CD2 3.3Å; A900-F904 WeakPolarHBondContact O-CG 3.47Å; A900-F904 PolarHBondContact O-N 3.26Å
901F92.1Very high81.4Confident20 Ų2074.5 Ų74.59%0.08838%0.376CS..Hα-helixtrans-67.3-42.7178.6-68.65.6000111.4L32 V33 A891 F897 R898 Y903 F904 L905L32-F901 HydrophobicContact CB-CD1 4.25Å; L32-F901 HydrophobicContact CB-CE1 3.91Å; L32-F901 HydrophobicContact CB-CZ 4.37Å; V33-F901 HydrophobicContact CG2-CE1 4.34Å; V33-F901 HydrophobicContact CG2-CZ 3.72Å; A891-F901 HydrophobicContact CB-CD2 3.76Å; A891-F901 HydrophobicContact CB-CE2 3.86Å; F897-F901 HydrophobicContact CD1-CE1 4.49Å; F897-F901 VanDerWaalsContact O-CD1 3.29Å; F897-F901 WeakPolarHBondContact O-CD1 3.45Å; F897-F901 WeakPolarHBondContact O-CG 3.34Å; F897-F901 PolarHBondContact O-N 3.23Å; R898-F901 PolarHBondContact O-N 3.06Å; F901-Y903 VanDerWaalsContact C-N 3.31Å; F901-Y903 PolarHBondContact O-N 2.9Å; F901-F904 PolarHBondContact O-N 3.31Å; F901-L905 WeakPolarHBondContact O-CB 3.45Å; F901-L905 VanDerWaalsContact O-CG 3.27Å; F901-L905 WeakPolarHBondContact O-CG 3.14Å; F901-L905 PolarHBondContact O-N 3.1Å
902I89.6Confident79.9Confident82 Ų8276.8 Ų76.842%0.42139%0.39SS..Hα-helixtrans-61.1-40.5174.4-69165.1000110.9R898 Q899 K906R898-I902 HydrophobicContact CG-CD1 4.11Å; R898-I902 WeakPolarHBondContact O-CB 3.27Å; R898-I902 VanDerWaalsContact O-CG1 3.26Å; R898-I902 WeakPolarHBondContact O-CG1 3.35Å; R898-I902 PolarHBondContact O-N 3.38Å; Q899-I902 PolarHBondContact O-N 2.92Å; I902-K906 HydrophobicContact CG2-CD 4.07Å; I902-K906 HydrophobicContact CG2-CG 4.26Å; I902-K906 WeakPolarHBondContact O-CB 3.45Å; I902-K906 WeakPolarHBondContact O-CG 3.45Å; I902-K906 PolarHBondContact O-N 2.67Å
903Y89.1Confident78.2Confident49 Ų4977.8 Ų77.819%0.19239%0.392CS..Hα-helixtrans-60.3-46.5173.8171.5-81000112R39 F40 Q899 A900 F901 C907 I910R39-Y903 PolarHBondContact NH2-OH 2.72Å; F40-Y903 HydrophobicContact CE1-CG 4.44Å; F40-Y903 HydrophobicContact CE2-CD1 4.37Å; F40-Y903 AromaticContact CZ-CD1 3.68Å; F40-Y903 HydrophobicContact CZ-CD1 3.68Å; F40-Y903 HydrophobicContact CZ-CD2 4.33Å; F40-Y903 HydrophobicContact CZ-CE1 4.36Å; F40-Y903 AromaticContact CZ-CG 3.71Å; F40-Y903 HydrophobicContact CZ-CG 3.71Å; Q899-Y903 WeakPolarHBondContact O-CB 3.41Å; Q899-Y903 PolarHBondContact O-N 3.38Å; A900-Y903 WeakPolarHBondContact O-CB 3.46Å; A900-Y903 PolarHBondContact O-N 3.15Å; F901-Y903 VanDerWaalsContact C-N 3.31Å; F901-Y903 PolarHBondContact O-N 2.9Å; Y903-C907 PolarHBondContact O-N 2.91Å; Y903-I910 HydrophobicContact CD2-CD1 3.8Å; Y903-I910 HydrophobicContact CD2-CG1 4.06Å; Y903-I910 HydrophobicContact CE2-CG1 4.42Å
904F90Very high77.1Confident54 Ų5480 Ų8024%0.23740%0.403CS..Hα-helixtrans-66.5-42.7179.3-69.2-53.7000112.2L32 A35 A36 R39 F40 A900 F901L32-F904 HydrophobicContact CD2-CB 3.87Å; L32-F904 HydrophobicContact CD2-CD2 3.7Å; L32-F904 HydrophobicContact CD2-CE2 4.39Å; L32-F904 HydrophobicContact CD2-CG 3.92Å; A35-F904 HydrophobicContact CB-CE2 4.5Å; A35-F904 HydrophobicContact CB-CZ 4.16Å; A36-F904 HydrophobicContact CB-CE2 4.07Å; R39-F904 HydrophobicContact CB-CE1 4.16Å; R39-F904 HydrophobicContact CB-CZ 3.72Å; R39-F904 HydrophobicContact CG-CE1 3.95Å; R39-F904 HydrophobicContact CG-CZ 3.93Å; F40-F904 HydrophobicContact CE2-CE2 4.18Å; F40-F904 HydrophobicContact CE2-CZ 4.09Å; A900-F904 HydrophobicContact CB-CE2 4.46Å; A900-F904 WeakPolarHBondContact O-CD2 3.3Å; A900-F904 WeakPolarHBondContact O-CG 3.47Å; A900-F904 PolarHBondContact O-N 3.26Å; F901-F904 PolarHBondContact O-N 3.31Å
905L87.6Confident75.7Confident135 Ų13584.4 Ų84.471%0.70742%0.417SS*.Hα-helixtrans-74.8-32.2-176.2-70.3170.4000113.9F901F901-L905 WeakPolarHBondContact O-CB 3.45Å; F901-L905 VanDerWaalsContact O-CG 3.27Å; F901-L905 WeakPolarHBondContact O-CG 3.14Å; F901-L905 PolarHBondContact O-N 3.1Å
906K85Confident74.3Confident142 Ų14286.9 Ų86.962%0.61742%0.424SS*.Hα-helixtrans-82.9-17.5179.4-75-162.8169.5-162.70113.8I902 T908I902-K906 HydrophobicContact CG2-CD 4.07Å; I902-K906 HydrophobicContact CG2-CG 4.26Å; I902-K906 WeakPolarHBondContact O-CB 3.45Å; I902-K906 WeakPolarHBondContact O-CG 3.45Å; I902-K906 PolarHBondContact O-N 2.67Å; K906-T908 HydrophobicContact CB-CG2 4.07Å; K906-T908 PolarHBondContact O-N 3.03Å
907C67.3Low73.1Confident112 Ų11287 Ų8776%0.75742%0.424SS*.  trans52.32-168.8-62.40000115.9Y903 H909Y903-C907 PolarHBondContact O-N 2.91Å; C907-H909 PolarHBondContact O-N 2.99Å; C907-H909 VanDerWaalsContact O-N 3.12Å
908T60.4Low71.6Confident73 Ų7391.5 Ų91.545%0.44845%0.445SS..  trans-61.9114.5-178.646.10000110.2K906 I910K906-T908 HydrophobicContact CB-CG2 4.07Å; K906-T908 PolarHBondContact O-N 3.03Å; T908-I910 VanDerWaalsContact C-N 3.32Å; T908-I910 PolarHBondContact O-N 3.02Å
909H56.3Low70.2Confident142 Ų14289.4 Ų89.466%0.65744%0.441SS*.  trans-65.693.2170.8-169-110.7000108.5C907 N911C907-H909 PolarHBondContact O-N 2.99Å; C907-H909 VanDerWaalsContact O-N 3.12Å; H909-N911 PolarHBondContact O-N 2.85Å
910I55.9Low68.8Low44 Ų4490.6 Ų90.623%0.22645%0.446CS..  trans-56.3109.1-177.2-65.6-177.3000108.7Y903 T908 E914 R915Y903-I910 HydrophobicContact CD2-CD1 3.8Å; Y903-I910 HydrophobicContact CD2-CG1 4.06Å; Y903-I910 HydrophobicContact CE2-CG1 4.42Å; T908-I910 VanDerWaalsContact C-N 3.32Å; T908-I910 PolarHBondContact O-N 3.02Å; I910-E914 HydrophobicContact CG2-CB 3.75Å; I910-E914 WeakPolarHBondContact CG2-OE2 3.29Å; I910-R915 HydrophobicContact CG2-CG 3.9Å; I910-R915 VanDerWaalsContact O-CZ 3.31Å; I910-R915 PolarHBondContact O-NE 3.27Å; I910-R915 PolarHBondContact O-NH2 3.23Å
911N51.7Low67.6Low116 Ų11697.6 Ų97.662%0.6248%0.479SS*.  trans-50.1142.2177.7-77.8-18.7000109.7H909 H913 E914H909-N911 PolarHBondContact O-N 2.85Å; N911-H913 PolarHBondContact O-N 2.94Å; N911-E914 PolarHBondContact O-N 3.45Å; N911-E914 VanDerWaalsContact O-N 3.15Å
912S57.4Low66Low72 Ų72100.2 Ų100.250%0.50349%0.491SS..Hα-helixtrans-48-38.9-177.544.60000111.6E914 R915 H916S912-E914 PolarHBondContact O-N 3.1Å; S912-R915 CarbonylContact O-C 3.57Å; S912-R915 WeakPolarHBondContact O-CA 3.14Å; S912-R915 WeakPolarHBondContact O-CB 3.21Å; S912-R915 PolarHBondContact O-N 3.44Å; S912-R915 VanDerWaalsContact O-N 3.07Å; S912-H916 PolarHBondContact O-CD2 3.22Å; S912-H916 PolarHBondContact O-N 3.02Å
913H54.1Low64.9Low126 Ų12699.5 Ų99.558%0.58349%0.488SS*.Hα-helixtrans-47.7-52.5177.2-147.1-105.4000114.9N911 R915 H916 H917N911-H913 PolarHBondContact O-N 2.94Å; H913-R915 VanDerWaalsContact C-N 3.32Å; H913-R915 PolarHBondContact O-N 3.16Å; H913-H916 PolarHBondContact O-N 3.07Å; H913-H916 VanDerWaalsContact O-N 3.16Å; H913-H917 AromaticContact CE1-CD2 3.81Å; H913-H917 AromaticContact CE1-NE2 3.12Å; H913-H917 PolarHBondContact CE1-NE2 3.12Å; H913-H917 AromaticContact ND1-CD2 3.58Å; H913-H917 AromaticContact ND1-NE2 3.38Å; H913-H917 PolarHBondContact ND1-NE2 2.92Å; H913-H917 PolarHBondContact O-N 2.02Å
914E59.6Low63.9Low107 Ų107102.8 Ų102.850%0.551%0.505SS..Hα-helixtrans-66.3-35.6178.7-74.6-161.4124.100112.3I910 N911 S912 H916 H917 Q918I910-E914 HydrophobicContact CG2-CB 3.75Å; I910-E914 WeakPolarHBondContact CG2-OE2 3.29Å; N911-E914 PolarHBondContact O-N 3.45Å; N911-E914 VanDerWaalsContact O-N 3.15Å; S912-E914 PolarHBondContact O-N 3.1Å; E914-H916 VanDerWaalsContact C-N 3.33Å; E914-H917 PolarHBondContact O-N 3.18Å; E914-Q918 WeakPolarHBondContact O-CG 3.44Å; E914-Q918 PolarHBondContact O-N 2.85Å
915R55.6Low62.8Low131 Ų131105.5 Ų105.549%0.49452%0.519SS..Hα-helixtrans-65.3-38.8174.2-76.5-179.9-85157.6-11110.8I910 S912 H913 Q919I910-R915 HydrophobicContact CG2-CG 3.9Å; I910-R915 VanDerWaalsContact O-CZ 3.31Å; I910-R915 PolarHBondContact O-NE 3.27Å; I910-R915 PolarHBondContact O-NH2 3.23Å; S912-R915 CarbonylContact O-C 3.57Å; S912-R915 WeakPolarHBondContact O-CA 3.14Å; S912-R915 WeakPolarHBondContact O-CB 3.21Å; S912-R915 PolarHBondContact O-N 3.44Å; S912-R915 VanDerWaalsContact O-N 3.07Å; H913-R915 VanDerWaalsContact C-N 3.32Å; H913-R915 PolarHBondContact O-N 3.16Å; R915-Q919 WeakPolarHBondContact O-CB 3.38Å; R915-Q919 PolarHBondContact O-N 3.19Å; R915-Q919 VanDerWaalsContact O-N 3.08Å
916H58.6Low61.7Low117 Ų117104 Ų10454%0.54251%0.506SS..Hα-helixtrans-65.9-46.1173.4-76.1-72.6000111.8S912 H913 E914 Q919 Q920S912-H916 PolarHBondContact O-CD2 3.22Å; S912-H916 PolarHBondContact O-N 3.02Å; H913-H916 PolarHBondContact O-N 3.07Å; H913-H916 VanDerWaalsContact O-N 3.16Å; E914-H916 VanDerWaalsContact C-N 3.33Å; H916-Q919 PolarHBondContact O-N 3.38Å; H916-Q920 VanDerWaalsContact O-CB 3.3Å; H916-Q920 WeakPolarHBondContact O-CB 3.27Å; H916-Q920 VanDerWaalsContact O-CG 3.31Å; H916-Q920 WeakPolarHBondContact O-CG 3.47Å; H916-Q920 PolarHBondContact O-N 3.32Å
917H62Low60.6Low94 Ų9498.7 Ų98.744%0.43549%0.487SS..Hα-helixtrans-62-45.3176.6-77.7-52000113.6H913 E914 Q919 Q920 Q921H913-H917 AromaticContact CE1-CD2 3.81Å; H913-H917 AromaticContact CE1-NE2 3.12Å; H913-H917 PolarHBondContact CE1-NE2 3.12Å; H913-H917 AromaticContact ND1-CD2 3.58Å; H913-H917 AromaticContact ND1-NE2 3.38Å; H913-H917 PolarHBondContact ND1-NE2 2.92Å; H913-H917 PolarHBondContact O-N 2.02Å; E914-H917 PolarHBondContact O-N 3.18Å; H917-Q919 PolarHBondContact O-N 3.27Å; H917-Q920 PolarHBondContact ND1-OE1 3.35Å; H917-Q920 PolarHBondContact O-N 3.22Å; H917-Q921 PolarHBondContact O-N 3.43Å
918Q59.5Low60.4Low95 Ų9597.7 Ų97.744%0.44447%0.474SS..Hα-helixtrans-67.4-25.2177-69.9-175.525.200113E914 Q922E914-Q918 WeakPolarHBondContact O-CG 3.44Å; E914-Q918 PolarHBondContact O-N 2.85Å; Q918-Q922 WeakPolarHBondContact O-CG 3.37Å
919Q62.7Low60.2Low76 Ų7699.2 Ų99.236%0.35548%0.478SS..Hα-helixtrans-78.1-48.9173.4-168.77313.700110.4K42 R915 H916 H917 Q921 Q922 D923K42-Q919 VanDerWaalsContact CE-OE1 3.27Å; R915-Q919 WeakPolarHBondContact O-CB 3.38Å; R915-Q919 PolarHBondContact O-N 3.19Å; R915-Q919 VanDerWaalsContact O-N 3.08Å; H916-Q919 PolarHBondContact O-N 3.38Å; H917-Q919 PolarHBondContact O-N 3.27Å; Q919-Q921 PolarHBondContact O-N 2.93Å; Q919-Q922 PolarHBondContact O-N 3.21Å; Q919-D923 WeakPolarHBondContact CG-OD2 3.26Å; Q919-D923 PolarHBondContact NE2-OD2 3.44Å; Q919-D923 PolarHBondContact O-N 3.33Å
920Q60.2Low60.3Low114 Ų11499.8 Ų99.853%0.53348%0.483SS..Hα-helixtrans-55.7-44.1174.8-79.1175.5-20.200112.2H916 H917 Q922 D923 H924H916-Q920 VanDerWaalsContact O-CB 3.3Å; H916-Q920 WeakPolarHBondContact O-CB 3.27Å; H916-Q920 VanDerWaalsContact O-CG 3.31Å; H916-Q920 WeakPolarHBondContact O-CG 3.47Å; H916-Q920 PolarHBondContact O-N 3.32Å; H917-Q920 PolarHBondContact ND1-OE1 3.35Å; H917-Q920 PolarHBondContact O-N 3.22Å; Q920-Q922 VanDerWaalsContact C-N 3.32Å; Q920-Q922 PolarHBondContact O-N 3.09Å; Q920-D923 CarbonylContact O-C 3.52Å; Q920-D923 PolarHBondContact O-N 3.48Å; Q920-H924 WeakPolarHBondContact O-CA 3.44Å; Q920-H924 WeakPolarHBondContact O-CB 3.5Å; Q920-H924 PolarHBondContact O-N 3.44Å
921Q64Low60.1Low148 Ų148105.6 Ų105.669%0.69251%0.507SS*.Hα-helixtrans-61.7-39.4175.6-78.7-174.9-16.900112.3H917 Q919 E925H917-Q921 PolarHBondContact O-N 3.43Å; Q919-Q921 PolarHBondContact O-N 2.93Å; Q921-E925 WeakPolarHBondContact O-CB 3.46Å; Q921-E925 PolarHBondContact O-N 3.19Å
922Q59.6Low60.1Low76 Ų76103.6 Ų103.636%0.35550%0.496SS..Hα-helixtrans-71.6-34.8176.6-71.6-172.1-29.200112.7Q918 Q919 Q920 K926Q918-Q922 WeakPolarHBondContact O-CG 3.37Å; Q919-Q922 PolarHBondContact O-N 3.21Å; Q920-Q922 VanDerWaalsContact C-N 3.32Å; Q920-Q922 PolarHBondContact O-N 3.09Å; Q922-K926 VanDerWaalsContact O-CG 3.27Å; Q922-K926 WeakPolarHBondContact O-CG 3.41Å; Q922-K926 PolarHBondContact O-N 3.43Å; Q922-K926 VanDerWaalsContact O-N 3.11Å
923D65.4Low59.9Low66 Ų66104.5 Ų104.535%0.35350%0.5SS..Hα-helixtrans-80.8-24.6177.9-67.4-35.9000111.9Q919 Q920 K926 S927Q919-D923 WeakPolarHBondContact CG-OD2 3.26Å; Q919-D923 PolarHBondContact NE2-OD2 3.44Å; Q919-D923 PolarHBondContact O-N 3.33Å; Q920-D923 CarbonylContact O-C 3.52Å; Q920-D923 PolarHBondContact O-N 3.48Å; D923-K926 WeakPolarHBondContact OD1-CD 3.26Å; D923-K926 WeakPolarHBondContact OD1-CE 3.35Å; D923-K926 IonicContact OD1-NZ 2.75Å; D923-K926 PolarHBondContact OD1-NZ 3.22Å; D923-S927 VanDerWaalsContact O-CB 3.23Å; D923-S927 WeakPolarHBondContact O-CB 3.25Å; D923-S927 PolarHBondContact O-N 3.26Å
924H68.4Low59.9Low119 Ų119103.3 Ų103.355%0.55150%0.503SS*.Hα-helixtrans-73.1-43.3168-168.393.7000111.5Q920 K926 S927 I928Q920-H924 WeakPolarHBondContact O-CA 3.44Å; Q920-H924 WeakPolarHBondContact O-CB 3.5Å; Q920-H924 PolarHBondContact O-N 3.44Å; H924-K926 VanDerWaalsContact C-N 3.3Å; H924-K926 PolarHBondContact O-N 3.13Å; H924-S927 WeakPolarHBondContact O-CB 3.45Å; H924-S927 PolarHBondContact O-N 3.2Å; H924-S927 VanDerWaalsContact O-N 3.14Å; H924-I928 VanDerWaalsContact CD2-CD1 3.48Å; H924-I928 WeakPolarHBondContact CD2-CD1 3.32Å; H924-I928 WeakPolarHBondContact O-CG1 3.13Å; H924-I928 PolarHBondContact O-N 3.13Å
925E66.7Low59.6Low111 Ų111100.9 Ų100.952%0.51950%0.497SS..Hα-helixtrans-59.8-39.5172.2-168-176.4-168.600110.9Q921 L929Q921-E925 WeakPolarHBondContact O-CB 3.46Å; Q921-E925 PolarHBondContact O-N 3.19Å; E925-L929 PolarHBondContact O-N 3.44Å
926K65.4Low59.7Low102 Ų10298.7 Ų98.744%0.44350%0.499SS..Hα-helixtrans-66.1-45170.1-70.8170.5-156.1163.20112.7Q922 D923 H924 I928 L929 M930Q922-K926 VanDerWaalsContact O-CG 3.27Å; Q922-K926 WeakPolarHBondContact O-CG 3.41Å; Q922-K926 PolarHBondContact O-N 3.43Å; Q922-K926 VanDerWaalsContact O-N 3.11Å; D923-K926 WeakPolarHBondContact OD1-CD 3.26Å; D923-K926 WeakPolarHBondContact OD1-CE 3.35Å; D923-K926 IonicContact OD1-NZ 2.75Å; D923-K926 PolarHBondContact OD1-NZ 3.22Å; H924-K926 VanDerWaalsContact C-N 3.3Å; H924-K926 PolarHBondContact O-N 3.13Å; K926-I928 VanDerWaalsContact C-N 3.34Å; K926-I928 PolarHBondContact O-N 3.31Å; K926-L929 CarbonylContact O-C 3.6Å; K926-L929 WeakPolarHBondContact O-CA 3.4Å; K926-L929 WeakPolarHBondContact O-CB 3.31Å; K926-L929 PolarHBondContact O-N 3.34Å; K926-M930 WeakPolarHBondContact O-CB 3.24Å; K926-M930 WeakPolarHBondContact O-CG 3.28Å; K926-M930 PolarHBondContact O-N 2.93Å
927S61Low59.7Low32 Ų3298.3 Ų98.322%0.22451%0.508CS..Hα-helixtrans-56.6-47178.1157.70000110.7D923 H924 L929 M930 K931D923-S927 VanDerWaalsContact O-CB 3.23Å; D923-S927 WeakPolarHBondContact O-CB 3.25Å; D923-S927 PolarHBondContact O-N 3.26Å; H924-S927 WeakPolarHBondContact O-CB 3.45Å; H924-S927 PolarHBondContact O-N 3.2Å; H924-S927 VanDerWaalsContact O-N 3.14Å; S927-L929 VanDerWaalsContact C-N 3.3Å; S927-L929 PolarHBondContact O-N 2.93Å; S927-M930 CarbonylContact O-C 3.6Å; S927-M930 PolarHBondContact O-N 3.01Å; S927-M930 VanDerWaalsContact O-N 3.12Å; S927-K931 VanDerWaalsContact O-CB 3.27Å; S927-K931 WeakPolarHBondContact O-CB 3.09Å; S927-K931 VanDerWaalsContact O-CG 3.3Å; S927-K931 WeakPolarHBondContact O-CG 3.45Å; S927-K931 PolarHBondContact O-N 3.25Å; S927-K931 WeakPolarHBondContact OG-CE 3.03Å
928I63.1Low59.2Low91 Ų9198.3 Ų98.347%0.46752%0.516SS..Hα-helixtrans-58.9-42.4173.9-67165.5000110.8H924 K926 M930H924-I928 VanDerWaalsContact CD2-CD1 3.48Å; H924-I928 WeakPolarHBondContact CD2-CD1 3.32Å; H924-I928 WeakPolarHBondContact O-CG1 3.13Å; H924-I928 PolarHBondContact O-N 3.13Å; K926-I928 VanDerWaalsContact C-N 3.34Å; K926-I928 PolarHBondContact O-N 3.31Å; I928-M930 VanDerWaalsContact C-N 3.29Å; I928-M930 PolarHBondContact O-N 3.49Å
929L57.1Low58.8Low105 Ų10598 Ų9855%0.5552%0.522SS..Hα-helixtrans-68.4-24177.3-123.480000114.3E925 K926 S927E925-L929 PolarHBondContact O-N 3.44Å; K926-L929 CarbonylContact O-C 3.6Å; K926-L929 WeakPolarHBondContact O-CA 3.4Å; K926-L929 WeakPolarHBondContact O-CB 3.31Å; K926-L929 PolarHBondContact O-N 3.34Å; S927-L929 VanDerWaalsContact C-N 3.3Å; S927-L929 PolarHBondContact O-N 2.93Å
930M58.4Low58.1Low154 Ų154101.9 Ų101.976%0.75955%0.545SS*.Hα-helixtrans-97-26.7-178.9-71.9175.817100113.3K926 S927 I928 L932K926-M930 WeakPolarHBondContact O-CB 3.24Å; K926-M930 WeakPolarHBondContact O-CG 3.28Å; K926-M930 PolarHBondContact O-N 2.93Å; S927-M930 CarbonylContact O-C 3.6Å; S927-M930 PolarHBondContact O-N 3.01Å; S927-M930 VanDerWaalsContact O-N 3.12Å; I928-M930 VanDerWaalsContact C-N 3.29Å; I928-M930 PolarHBondContact O-N 3.49Å; M930-L932 VanDerWaalsContact C-N 3.3Å
931K51.7Low57.3Low165 Ų165101.5 Ų101.572%0.71755%0.554SS**SBendtrans-82.9-2.3176.6-71.6-176.1179.4-171.20113.6S927 P933S927-K931 VanDerWaalsContact O-CB 3.27Å; S927-K931 WeakPolarHBondContact O-CB 3.09Å; S927-K931 VanDerWaalsContact O-CG 3.3Å; S927-K931 WeakPolarHBondContact O-CG 3.45Å; S927-K931 PolarHBondContact O-N 3.25Å; S927-K931 WeakPolarHBondContact OG-CE 3.03Å; K931-P933 VanDerWaalsContact O-CD 3.28Å; K931-P933 WeakPolarHBondContact O-CD 2.92Å
932L52.4Low56.3Low75 Ų75101.6 Ų101.639%0.39356%0.555SS.*SBendtrans-63.2113.5165.6-84.1161.5000108.7M930M930-L932 VanDerWaalsContact C-N 3.3Å
933P52.6Low55.5Low90 Ų90105.5 Ų105.558%0.58457%0.573SS**PPolyproline II helixtrans-63.4148.2-179.926.9-34.3000110.2K931K931-P933 VanDerWaalsContact O-CD 3.28Å; K931-P933 WeakPolarHBondContact O-CD 2.92Å
934P54.5Low54.1Low102 Ų102111.5 Ų111.566%0.66260%0.599SS**PPolyproline II helixtrans-57.5143.9169.627.4-34.2000109
935P51.9Low52.6Low56 Ų56118.2 Ų118.236%0.36463%0.631SS.*PPolyproline II helixtrans-58.9136.9174.626.6-34.1000108.8F710F710-P935 HydrophobicContact CE1-CG 4.44Å; F710-P935 HydrophobicContact CE2-CG 4.28Å; F710-P935 HydrophobicContact CZ-CG 4.1Å
936P58Low51.9Low84 Ų84118.6 Ų118.655%0.54564%0.636SS.*PPolyproline II helixtrans-58.8147.2176.125.9-34.1000109.7Y807Y807-P936 HydrophobicContact CE2-CG 4.24Å
937P58.8Low51.2Low110 Ų110119.5 Ų119.571%0.71465%0.646SS**PPolyproline II helixtrans-58.4146.1174.526.4-34000109.9
938P53Low50.6Low93 Ų93124.3 Ų124.360%0.60467%0.67SS**PPolyproline II helixtrans-60.2148.3173.128.1-34.6000110L940P938-L940 PolarHBondContact O-N 3.04Å
939P50.3Low49.9Very low90 Ų90126.3 Ų126.358%0.58468%0.682SS**PPolyproline II helixtrans-54.3129.8177-2635000111.7S941P939-S941 PolarHBondContact O-N 3.02Å; P939-S941 VanDerWaalsContact O-N 3.15Å
940L47.1Very low49.4Very low157 Ų157127.6 Ų127.682%0.82269%0.69SS**THydrogen-bonded Turntrans-71.6-1.6-178.9-98.3146.5000113.9P938P938-L940 PolarHBondContact O-N 3.04Å
941S44.1Very low48.9Very low106 Ų106125.9 Ų125.974%0.74169%0.686SS**THydrogen-bonded Turntrans-92.713.6-172.758.60000115.3P939P939-S941 PolarHBondContact O-N 3.02Å; P939-S941 VanDerWaalsContact O-N 3.15Å
942Q43.1Very low48.6Very low149 Ų149123.1 Ų123.170%0.69668%0.683SS**SBendtrans-137.445.2178.4-70.6-172.5-32.600112.5
943Q41.7Very low48.4Very low158 Ų158126.8 Ų126.874%0.73871%0.706SS**SBendtrans-129.223.1168.7-66.9-156.9-47.600113.4
944Q36.8Very low48Very low193 Ų193129.8 Ų129.890%0.90272%0.716SS**  trans-135.852.9173.2-69.4-173.7-88.800111.2
945Q36.9Very low47.4Very low260 Ų260132.4 Ų132.4100%1.21572%0.721SS**  trans-154.70159.8-101.5175.1-6.500106.8

Retrieved 945 of 945 residues in 467.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).