X2JG36_DROME Loading...

Glucose transporter 1, isoform Y

AlphaFold DB , UniProt , Accession X2JG36, Species DROME (Drosophila melanogaster, Fruit fly), Gene Glut1, Length 662 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low55.3Low197 Ų19795.5 Ų95.597%0.9756%0.559SS**  0-68.80-71.2-49.3-175.400113F3 L4M1-F3 PolarHBondContact O-N 2.87Å; M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.42Å
2A29.4Very low58.3Low97 Ų9790.5 Ų90.580%0.80253%0.525SS*.G310 helixtrans-48.6-34.8-172.700000116.2L4 C5A2-L4 PolarHBondContact O-N 2.71Å; A2-C5 PolarHBondContact O-N 2.68Å
3F42.6Very low60.8Low108 Ų10883.6 Ų83.647%0.47449%0.485SS..G310 helixtrans-64.8-17.1177.4-121.1-80.2000115.5M1M1-F3 PolarHBondContact O-N 2.87Å
4L40.4Very low62.9Low107 Ų10781.3 Ų81.356%0.5647%0.473SS*.G310 helixtrans-89.4-3.6-177.2-69.2170.1000114M1 A2 L9M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.42Å; A2-L4 PolarHBondContact O-N 2.71Å; L4-L9 HydrophobicContact CD2-CD2 4.12Å
5C38.6Very low64.9Low121 Ų12179.5 Ų79.582%0.81846%0.456SS*.G310 helixtrans-115.725.8174.9-62.70000112.2A2A2-C5 PolarHBondContact O-N 2.68Å
6A53.9Low66.8Low27 Ų2774.6 Ų74.622%0.22343%0.427CS..  trans-75.7137.6176.900000111.3G8 L9 L153A6-G8 PolarHBondContact O-N 2.7Å; A6-L9 WeakPolarHBondContact O-CB 3.28Å; A6-L9 PolarHBondContact O-N 2.68Å; A6-L153 HydrophobicContact CB-CD2 3.74Å
7P56.1Low68.3Low110 Ų11071 Ų7171%0.71441%0.407SS*.THydrogen-bonded Turntrans-61131.9177.125.2-33.4000111N152P7-N152 PolarHBondContact O-ND2 3.38Å
8G63.6Low69.7Low46 Ų4673.3 Ų73.347%0.47441%0.412SS..THydrogen-bonded Turntrans99.1-8.7-174.400000115.3A6 T10A6-G8 PolarHBondContact O-N 2.7Å; G8-T10 PolarHBondContact O-N 3.24Å
9L76.9Confident71Confident41 Ų4169.5 Ų69.522%0.21539%0.39CS..  trans-82.5100.4175-171.169.5000111.4L4 A6 L13 T14 I17 L153L4-L9 HydrophobicContact CD2-CD2 4.12Å; A6-L9 WeakPolarHBondContact O-CB 3.28Å; A6-L9 PolarHBondContact O-N 2.68Å; L9-L13 HydrophobicContact CD1-CD2 4.14Å; L9-L13 HydrophobicContact CD1-CG 4.23Å; L9-T14 WeakPolarHBondContact CD1-OG1 3.2Å; L9-T14 WeakPolarHBondContact CG-OG1 3.32Å; L9-I17 HydrophobicContact CD1-CD1 4.32Å; L9-L153 HydrophobicContact CB-CD1 4.11Å; L9-L153 HydrophobicContact CD1-CD1 4.11Å
10T86.3Confident72.2Confident22 Ų2266 Ų6614%0.13537%0.37CS..  trans-83.9156.4175.976.70000112.2G8 F12 L13 T14 L232 R233 A234G8-T10 PolarHBondContact O-N 3.24Å; T10-F12 VanDerWaalsContact C-N 3.26Å; T10-F12 PolarHBondContact O-N 3.16Å; T10-L13 PolarHBondContact O-N 2.94Å; T10-L13 VanDerWaalsContact OG1-CB 3.3Å; T10-L13 WeakPolarHBondContact OG1-CB 3.47Å; T10-L13 PolarHBondContact OG1-N 3.33Å; T10-T14 PolarHBondContact O-N 3.23Å; T10-T14 PolarHBondContact O-OG1 3.48Å; T10-T14 VanDerWaalsContact O-OG1 3.13Å; T10-L232 VanDerWaalsContact CG2-O 3.22Å; T10-L232 WeakPolarHBondContact CG2-O 3.33Å; T10-L232 PolarHBondContact OG1-O 3.02Å; T10-R233 WeakPolarHBondContact CG2-O 3.38Å; T10-A234 HydrophobicContact CG2-CB 3.91Å
11F88.1Confident73.3Confident175 Ų17563.6 Ų63.677%0.76836%0.357SS*.Hα-helixtrans-54-41.9173.1176.7-97.6000112.5T14 Y15F11-T14 PolarHBondContact O-N 2.96Å; F11-Y15 WeakPolarHBondContact O-CB 3.35Å; F11-Y15 PolarHBondContact O-N 2.97Å
12F90.8Very high76.2Confident35 Ų3554.8 Ų54.815%0.15431%0.314CS..Hα-helixtrans-74.8-29.9-178.2-169.9-109.7000113T10 Y15 S16 V207 P209 R231 L232T10-F12 VanDerWaalsContact C-N 3.26Å; T10-F12 PolarHBondContact O-N 3.16Å; F12-Y15 HydrophobicContact CD2-CD1 4.44Å; F12-Y15 HydrophobicContact CE2-CD1 4.3Å; F12-S16 WeakPolarHBondContact O-CB 3.47Å; F12-S16 PolarHBondContact O-N 3.35Å; F12-S16 PolarHBondContact O-OG 2.98Å; F12-V207 HydrophobicContact CE2-CG1 4.41Å; F12-P209 HydrophobicContact CE1-CG 4.17Å; F12-R231 HydrophobicContact CD1-CB 3.88Å; F12-R231 VanDerWaalsContact CD1-O 3.3Å; F12-R231 WeakPolarHBondContact CD1-O 3.39Å; F12-R231 HydrophobicContact CE1-CB 3.74Å; F12-R231 VanDerWaalsContact CZ-CZ 3.49Å; F12-L232 HydrophobicContact CD1-CD2 4.22Å; F12-L232 HydrophobicContact CE1-CD2 4.38Å
13L90.4Very high79.3Confident1 Ų150.1 Ų50.11%0.00528%0.276CS..Hα-helixtrans-66.9-47.6168.5177.958.2000110.7L9 T10 Y15 S16 I17 I148 P150 L232L9-L13 HydrophobicContact CD1-CD2 4.14Å; L9-L13 HydrophobicContact CD1-CG 4.23Å; T10-L13 PolarHBondContact O-N 2.94Å; T10-L13 VanDerWaalsContact OG1-CB 3.3Å; T10-L13 WeakPolarHBondContact OG1-CB 3.47Å; T10-L13 PolarHBondContact OG1-N 3.33Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 PolarHBondContact O-N 3.21Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-S16 VanDerWaalsContact O-N 3.12Å; L13-I17 HydrophobicContact CD1-CD1 3.88Å; L13-I17 HydrophobicContact CD1-CG1 4.16Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.33Å; L13-I148 HydrophobicContact CD1-CB 4.43Å; L13-I148 HydrophobicContact CD1-CD1 3.94Å; L13-I148 HydrophobicContact CD1-CG1 3.9Å; L13-P150 HydrophobicContact CD2-CG 4.37Å; L13-L232 HydrophobicContact CD1-CD2 4.18Å
14T90.9Very high81.8Confident51 Ų5145.7 Ų45.731%0.31326%0.257SS..Hα-helixtrans-58.1-43.8175.3-58.30000112L9 T10 F11 I17 F18L9-T14 WeakPolarHBondContact CD1-OG1 3.2Å; L9-T14 WeakPolarHBondContact CG-OG1 3.32Å; T10-T14 PolarHBondContact O-N 3.23Å; T10-T14 PolarHBondContact O-OG1 3.48Å; T10-T14 VanDerWaalsContact O-OG1 3.13Å; F11-T14 PolarHBondContact O-N 2.96Å; T14-I17 PolarHBondContact O-N 3.16Å; T14-F18 WeakPolarHBondContact O-CB 3.43Å; T14-F18 PolarHBondContact O-N 3.01Å
15Y93.4Very high84.5Confident55 Ų5542.1 Ų42.122%0.21624%0.238CC..Hα-helixtrans-59.1-45.1173.6176.7-89.5000112.2F11 F12 L13 F18 S19 L204 V207 C208F11-Y15 WeakPolarHBondContact O-CB 3.35Å; F11-Y15 PolarHBondContact O-N 2.97Å; F12-Y15 HydrophobicContact CD2-CD1 4.44Å; F12-Y15 HydrophobicContact CE2-CD1 4.3Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 PolarHBondContact O-N 3.21Å; Y15-F18 PolarHBondContact O-N 3.42Å; Y15-S19 WeakPolarHBondContact O-CB 3.38Å; Y15-S19 PolarHBondContact O-N 3.02Å; Y15-S19 PolarHBondContact O-OG 3.35Å; Y15-L204 HydrophobicContact CE2-CD2 3.86Å; Y15-L204 WeakPolarHBondContact OH-CA 3.44Å; Y15-L204 WeakPolarHBondContact OH-CD2 3.41Å; Y15-L204 PolarHBondContact OH-O 2.94Å; Y15-V207 HydrophobicContact CE1-CB 4.04Å; Y15-V207 HydrophobicContact CE1-CG1 4.23Å; Y15-C208 VanDerWaalsContact CE1-SG 3.57Å
16S93.8Very high87.2Confident0 Ų036.4 Ų36.40%020%0.199CC..Hα-helixtrans-68.6-38.3-179.5-57.30000112.4F12 L13 A20F12-S16 WeakPolarHBondContact O-CB 3.47Å; F12-S16 PolarHBondContact O-N 3.35Å; F12-S16 PolarHBondContact O-OG 2.98Å; L13-S16 PolarHBondContact O-N 2.99Å; L13-S16 VanDerWaalsContact O-N 3.12Å; S16-A20 PolarHBondContact O-N 2.87Å
17I92.6Very high89.1Confident14 Ų1436.9 Ų36.97%0.07220%0.196CC..Hα-helixtrans-62.9-55.7172.2-66.7162000109.7L9 L13 T14 S19 A20 V21 I145 I148 L157 V160L9-I17 HydrophobicContact CD1-CD1 4.32Å; L13-I17 HydrophobicContact CD1-CD1 3.88Å; L13-I17 HydrophobicContact CD1-CG1 4.16Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 VanDerWaalsContact O-CG1 3.3Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.33Å; T14-I17 PolarHBondContact O-N 3.16Å; I17-S19 VanDerWaalsContact C-N 3.28Å; I17-S19 PolarHBondContact O-N 3.48Å; I17-A20 PolarHBondContact O-N 2.93Å; I17-A20 VanDerWaalsContact O-N 3.09Å; I17-V21 HydrophobicContact CG2-CG2 3.83Å; I17-V21 WeakPolarHBondContact O-CB 3.48Å; I17-V21 WeakPolarHBondContact O-CG2 3.35Å; I17-V21 PolarHBondContact O-N 3.49Å; I17-I145 HydrophobicContact CG1-CG2 4.43Å; I17-I148 HydrophobicContact CG1-CD1 4.11Å; I17-L157 HydrophobicContact CD1-CD1 4.43Å; I17-L157 HydrophobicContact CD1-CD2 3.77Å; I17-L157 HydrophobicContact CG1-CD2 4.48Å; I17-L157 HydrophobicContact CG2-CD2 4.4Å; I17-V160 HydrophobicContact CG2-CG1 4.25Å
18F93.6Very high91Very high113 Ų11331.6 Ų31.650%0.49616%0.162SC..Hα-helixtrans-53-46.3179.6176.3-98.4000112T14 Y15 A20 V21 L22 L204T14-F18 WeakPolarHBondContact O-CB 3.43Å; T14-F18 PolarHBondContact O-N 3.01Å; Y15-F18 PolarHBondContact O-N 3.42Å; F18-A20 VanDerWaalsContact C-N 3.35Å; F18-A20 PolarHBondContact O-N 3.35Å; F18-V21 PolarHBondContact O-N 3.28Å; F18-L22 HydrophobicContact CZ-CD2 4.37Å; F18-L22 PolarHBondContact O-N 2.8Å; F18-L204 HydrophobicContact CD1-CD1 4.11Å; F18-L204 HydrophobicContact CE1-CD1 3.9Å
19S94.9Very high92.6Very high0 Ų029.6 Ų29.60%014%0.14CC..Hα-helixtrans-58.6-42.6178.8-57.80000112.5Y15 I17 Q201 L204Y15-S19 WeakPolarHBondContact O-CB 3.38Å; Y15-S19 PolarHBondContact O-N 3.02Å; Y15-S19 PolarHBondContact O-OG 3.35Å; I17-S19 VanDerWaalsContact C-N 3.28Å; I17-S19 PolarHBondContact O-N 3.48Å; S19-Q201 WeakPolarHBondContact O-CG 3.49Å; S19-Q201 PolarHBondContact O-NE2 3.03Å; S19-L204 WeakPolarHBondContact OG-CB 3.37Å
20A94.5Very high93.5Very high0 Ų027.7 Ų27.70%013%0.13CC..Hα-helixtrans-73.4-39.5177.700000112.8S16 I17 F18 L22 G23 L97 V141 Y144 I145 Q201S16-A20 PolarHBondContact O-N 2.87Å; I17-A20 PolarHBondContact O-N 2.93Å; I17-A20 VanDerWaalsContact O-N 3.09Å; F18-A20 VanDerWaalsContact C-N 3.35Å; F18-A20 PolarHBondContact O-N 3.35Å; A20-L22 PolarHBondContact O-N 3.47Å; A20-L22 VanDerWaalsContact O-N 3.16Å; A20-G23 PolarHBondContact O-N 2.81Å; A20-G23 VanDerWaalsContact O-N 3.12Å; A20-L97 HydrophobicContact CB-CD1 4.35Å; A20-V141 HydrophobicContact CB-CG1 4.21Å; A20-V141 VanDerWaalsContact O-CG1 3.31Å; A20-V141 WeakPolarHBondContact O-CG1 3.5Å; A20-V141 WeakPolarHBondContact O-CG2 3.36Å; A20-Y144 HydrophobicContact CB-CD1 3.51Å; A20-Y144 HydrophobicContact CB-CE1 3.94Å; A20-I145 HydrophobicContact CB-CD1 4.27Å; A20-I145 HydrophobicContact CB-CG1 4.06Å; A20-Q201 PolarHBondContact O-NE2 3.05Å
21V94.8Very high93.8Very high16 Ų1627.3 Ų27.310%0.09713%0.128CC..Hα-helixtrans-60.5-24.6-177.6168.40000113.1I17 F18 G23 M24 L25 I145 V160 A164I17-V21 HydrophobicContact CG2-CG2 3.83Å; I17-V21 WeakPolarHBondContact O-CB 3.48Å; I17-V21 WeakPolarHBondContact O-CG2 3.35Å; I17-V21 PolarHBondContact O-N 3.49Å; F18-V21 PolarHBondContact O-N 3.28Å; V21-G23 PolarHBondContact O-N 3.27Å; V21-G23 VanDerWaalsContact O-N 3.12Å; V21-M24 PolarHBondContact O-N 3.09Å; V21-L25 PolarHBondContact O-N 3.12Å; V21-L25 VanDerWaalsContact O-N 3.08Å; V21-I145 HydrophobicContact CG2-CD1 3.52Å; V21-V160 HydrophobicContact CG1-CG1 4.21Å; V21-V160 HydrophobicContact CG2-CG1 3.75Å; V21-A164 HydrophobicContact CG1-CB 3.29Å
22L95.5Very high94Very high11 Ų1119 Ų196%0.0589%0.092CC..Hα-helixtrans-52.7-31172.5-69.4171.4000113.7F18 A20 L25 Q26 L200 Q201 L204F18-L22 HydrophobicContact CZ-CD2 4.37Å; F18-L22 PolarHBondContact O-N 2.8Å; A20-L22 PolarHBondContact O-N 3.47Å; A20-L22 VanDerWaalsContact O-N 3.16Å; L22-L25 PolarHBondContact O-N 2.93Å; L22-Q26 PolarHBondContact O-N 2.98Å; L22-L200 HydrophobicContact CD1-CB 4.12Å; L22-L200 HydrophobicContact CD1-CD2 3.89Å; L22-L200 HydrophobicContact CD1-CG 3.74Å; L22-L200 HydrophobicContact CD2-CD2 4.04Å; L22-Q201 HydrophobicContact CB-CB 4.11Å; L22-Q201 HydrophobicContact CD1-CB 4Å; L22-L204 HydrophobicContact CD1-CD1 4.12Å
23G94.7Very high94.2Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-68.7-31.5175.400000113.6A20 V21 F27 N137A20-G23 PolarHBondContact O-N 2.81Å; A20-G23 VanDerWaalsContact O-N 3.12Å; V21-G23 PolarHBondContact O-N 3.27Å; V21-G23 VanDerWaalsContact O-N 3.12Å; G23-F27 PolarHBondContact O-N 2.96Å; G23-F27 VanDerWaalsContact O-N 3.12Å; G23-N137 VanDerWaalsContact CA-ND2 3.31Å; G23-N137 WeakPolarHBondContact CA-ND2 3.48Å; G23-N137 PolarHBondContact O-ND2 3.41Å; G23-N137 VanDerWaalsContact O-ND2 3.09Å
24M94.7Very high94.3Very high15 Ų1517.5 Ų17.57%0.0749%0.085CC..Hα-helixtrans-79.3-30.6173.9-64.5-59.7-74.500111.7V21 Q26 F27 G28 T138 V141 N161 A164 V165V21-M24 PolarHBondContact O-N 3.09Å; M24-Q26 VanDerWaalsContact C-N 3.35Å; M24-F27 HydrophobicContact CE-CD1 4.15Å; M24-F27 PolarHBondContact O-N 3.25Å; M24-G28 PolarHBondContact O-N 3.1Å; M24-T138 HydrophobicContact CE-CG2 4.4Å; M24-T138 HydrophobicContact SD-CG2 4.47Å; M24-V141 HydrophobicContact CG-CB 3.85Å; M24-V141 HydrophobicContact CG-CG1 3.72Å; M24-V141 HydrophobicContact CG-CG2 4.26Å; M24-V141 HydrophobicContact SD-CB 4.3Å; M24-N161 HydrophobicContact CE-CB 4.21Å; M24-N161 HydrophobicContact CG-CB 4.11Å; M24-A164 HydrophobicContact CB-CB 4.09Å; M24-V165 HydrophobicContact CB-CG2 4.19Å; M24-V165 HydrophobicContact CE-CG2 3.8Å; M24-V165 WeakPolarHBondContact O-CG2 3.4Å
25L96Very high94.3Very high31 Ų3115 Ų1516%0.1627%0.07CC..Hα-helixtrans-63.1-41.7167.3-175151.1000111.1V21 L22 F27 G28 Y29 A164 V167 P197V21-L25 PolarHBondContact O-N 3.12Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 2.93Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.22Å; L25-G28 PolarHBondContact O-N 2.68Å; L25-Y29 WeakPolarHBondContact O-CB 3.4Å; L25-Y29 PolarHBondContact O-N 3.24Å; L25-A164 WeakPolarHBondContact CA-O 3.37Å; L25-A164 HydrophobicContact CB-CB 4.33Å; L25-V167 HydrophobicContact CD1-CG1 4.3Å; L25-P197 HydrophobicContact CD2-CB 4.17Å; L25-P197 HydrophobicContact CD2-CG 3.74Å
26Q95.4Very high94.1Very high1 Ų112.8 Ų12.81%0.0056%0.063CC..Hα-helixtrans-62.6-38174.8-166.8174.129.900112.2L22 M24 N30 N133 A194 P197L22-Q26 PolarHBondContact O-N 2.98Å; M24-Q26 VanDerWaalsContact C-N 3.35Å; Q26-N30 PolarHBondContact O-N 3.39Å; Q26-N30 PolarHBondContact O-ND2 2.78Å; Q26-N133 PolarHBondContact OE1-ND2 2.83Å; Q26-N133 PolarHBondContact OE1-OD1 3.45Å; Q26-N133 VanDerWaalsContact OE1-OD1 3.09Å; Q26-A194 PolarHBondContact NE2-O 3Å; Q26-P197 HydrophobicContact CB-CB 4.32Å
27F94.9Very high94Very high37 Ų3712.8 Ų12.816%0.1626%0.063CC..Hα-helixtrans-63.3-48.4172.2170.3-137.2000112.4G23 M24 L25 Y29 T31 F73 C134 T138 V165 W415G23-F27 PolarHBondContact O-N 2.96Å; G23-F27 VanDerWaalsContact O-N 3.12Å; M24-F27 HydrophobicContact CE-CD1 4.15Å; M24-F27 PolarHBondContact O-N 3.25Å; L25-F27 VanDerWaalsContact C-N 3.34Å; L25-F27 PolarHBondContact O-N 3.22Å; F27-Y29 VanDerWaalsContact C-N 3.34Å; F27-Y29 PolarHBondContact O-N 2.59Å; F27-T31 WeakPolarHBondContact CE2-OG1 3.4Å; F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 PolarHBondContact O-N 2.84Å; F27-T31 VanDerWaalsContact O-N 3.15Å; F27-T31 PolarHBondContact O-OG1 3.45Å; F27-F73 HydrophobicContact CD2-CZ 4.18Å; F27-F73 HydrophobicContact CE2-CE1 4.43Å; F27-F73 HydrophobicContact CE2-CZ 4.45Å; F27-C134 HydrophobicContact CB-CB 4.14Å; F27-C134 HydrophobicContact CD2-CB 3.87Å; F27-C134 HydrophobicContact CG-CB 4.34Å; F27-T138 HydrophobicContact CD1-CG2 3.73Å; F27-T138 HydrophobicContact CE1-CG2 3.76Å; F27-T138 HydrophobicContact CG-CG2 4.25Å; F27-T138 HydrophobicContact CZ-CG2 4.29Å; F27-V165 HydrophobicContact CD1-CG1 4.39Å; F27-V165 HydrophobicContact CD1-CG2 3.69Å; F27-V165 HydrophobicContact CE1-CG1 4.39Å; F27-V165 HydrophobicContact CE1-CG2 4.17Å; F27-W415 HydrophobicContact CD2-CH2 4.17Å; F27-W415 AromaticContact CE2-CH2 3.56Å; F27-W415 HydrophobicContact CE2-CH2 3.56Å; F27-W415 HydrophobicContact CE2-CZ2 4.18Å; F27-W415 HydrophobicContact CE2-CZ3 4.39Å; F27-W415 HydrophobicContact CZ-CH2 4.18Å; F27-W415 HydrophobicContact CZ-CZ2 4.45Å
28G94.8Very high94Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-57.7-45.3175.200000113.1M24 L25 T31 G32 V165 L169M24-G28 PolarHBondContact O-N 3.1Å; L25-G28 PolarHBondContact O-N 2.68Å; G28-T31 WeakPolarHBondContact O-CB 3.46Å; G28-T31 PolarHBondContact O-N 3.22Å; G28-G32 PolarHBondContact O-N 2.92Å; G28-V165 VanDerWaalsContact CA-O 3.24Å; G28-V165 WeakPolarHBondContact CA-O 3.31Å; G28-L169 WeakPolarHBondContact O-CA 3.32Å; G28-L169 PolarHBondContact O-N 3.34Å
29Y96.8Very high93.8Very high4 Ų411.1 Ų11.12%0.0166%0.055CC..Hα-helixtrans-60.1-54.8179.1-170.8-95.9000111.9L25 F27 T31 G32 V33 G168 L171 S172 L175 L190 A194L25-Y29 WeakPolarHBondContact O-CB 3.4Å; L25-Y29 PolarHBondContact O-N 3.24Å; F27-Y29 VanDerWaalsContact C-N 3.34Å; F27-Y29 PolarHBondContact O-N 2.59Å; Y29-T31 PolarHBondContact O-N 3.46Å; Y29-G32 PolarHBondContact O-N 3.2Å; Y29-G32 VanDerWaalsContact O-N 3.13Å; Y29-V33 HydrophobicContact CD1-CB 4.32Å; Y29-V33 HydrophobicContact CD1-CG2 4.38Å; Y29-V33 HydrophobicContact CE1-CB 4.12Å; Y29-V33 HydrophobicContact CE1-CG1 4.49Å; Y29-V33 HydrophobicContact CE1-CG2 3.69Å; Y29-V33 VanDerWaalsContact O-CB 3.28Å; Y29-V33 WeakPolarHBondContact O-CB 3.15Å; Y29-V33 PolarHBondContact O-N 3.15Å; Y29-G168 WeakPolarHBondContact CA-O 3.05Å; Y29-L171 HydrophobicContact CD2-CB 4.41Å; Y29-L171 HydrophobicContact CD2-CD2 4.35Å; Y29-L171 HydrophobicContact CD2-CG 4.27Å; Y29-L171 HydrophobicContact CE2-CD2 4.49Å; Y29-L171 HydrophobicContact CE2-CG 4.2Å; Y29-S172 WeakPolarHBondContact O-CB 3.43Å; Y29-L175 HydrophobicContact CE2-CD1 4.18Å; Y29-L190 PolarHBondContact OH-O 3Å; Y29-A194 HydrophobicContact CD1-CB 4.15Å; Y29-A194 HydrophobicContact CE1-CB 4.22Å
30N95.9Very high93.6Very high1 Ų111.9 Ų11.91%0.0056%0.059CC..Hα-helixtrans-66-23.6-177.1-74.7-75.8000113.7Q26 F73 R127 I130Q26-N30 PolarHBondContact O-N 3.39Å; Q26-N30 PolarHBondContact O-ND2 2.78Å; N30-F73 HydrophobicContact CB-CE2 3.77Å; N30-F73 HydrophobicContact CB-CZ 4.02Å; N30-R127 PolarHBondContact O-NH1 2.85Å; N30-I130 HydrophobicContact CB-CG1 4.36Å; N30-I130 VanDerWaalsContact CG-CG1 3.46Å; N30-I130 WeakPolarHBondContact ND2-CG1 3.19Å; N30-I130 WeakPolarHBondContact OD1-CG1 3.32Å
31T93.3Very high93.6Very high13 Ų1311.9 Ų11.98%0.086%0.059CC..Hα-helixtrans-67.7-43.3173.2-59.30000111.9F27 G28 Y29 Y293F27-T31 WeakPolarHBondContact CE2-OG1 3.4Å; F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 PolarHBondContact O-N 2.84Å; F27-T31 VanDerWaalsContact O-N 3.15Å; F27-T31 PolarHBondContact O-OG1 3.45Å; G28-T31 WeakPolarHBondContact O-CB 3.46Å; G28-T31 PolarHBondContact O-N 3.22Å; Y29-T31 PolarHBondContact O-N 3.46Å; T31-Y293 HydrophobicContact CG2-CE1 3.77Å; T31-Y293 VanDerWaalsContact O-CD1 3.29Å; T31-Y293 WeakPolarHBondContact O-CD1 3.45Å; T31-Y293 VanDerWaalsContact O-CE1 3.28Å; T31-Y293 WeakPolarHBondContact O-CE1 3.39Å
32G91.6Very high93.5Very high1 Ų112.2 Ų12.21%0.016%0.06CC..Hα-helixtrans-89.4-29-178.100000115.7G28 Y29 I34 N35 S172G28-G32 PolarHBondContact O-N 2.92Å; Y29-G32 PolarHBondContact O-N 3.2Å; Y29-G32 VanDerWaalsContact O-N 3.13Å; G32-I34 PolarHBondContact O-N 3.32Å; G32-N35 WeakPolarHBondContact O-CB 3.32Å; G32-N35 PolarHBondContact O-N 3.49Å; G32-N35 VanDerWaalsContact O-N 3.11Å; G32-S172 WeakPolarHBondContact CA-OG 3.41Å
33V95Very high93.3Very high2 Ų214.9 Ų14.91%0.0127%0.074CC..THydrogen-bonded Turntrans-64.1-10.9-165.377.40000115.5Y29 P37 S172 L190 L191Y29-V33 HydrophobicContact CD1-CB 4.32Å; Y29-V33 HydrophobicContact CD1-CG2 4.38Å; Y29-V33 HydrophobicContact CE1-CB 4.12Å; Y29-V33 HydrophobicContact CE1-CG1 4.49Å; Y29-V33 HydrophobicContact CE1-CG2 3.69Å; Y29-V33 VanDerWaalsContact O-CB 3.28Å; Y29-V33 WeakPolarHBondContact O-CB 3.15Å; Y29-V33 PolarHBondContact O-N 3.15Å; V33-P37 WeakPolarHBondContact O-CD 3.48Å; V33-P37 WeakPolarHBondContact O-CG 3.16Å; V33-S172 PolarHBondContact N-OG 3.2Å; V33-L190 HydrophobicContact CG2-CD1 4.1Å; V33-L190 HydrophobicContact CG2-CD2 4.11Å; V33-L190 HydrophobicContact CG2-CG 3.62Å; V33-L191 HydrophobicContact CB-CD2 4.42Å; V33-L191 HydrophobicContact CG1-CD2 3.72Å; V33-L191 HydrophobicContact CG2-CD2 4.01Å
34I92.6Very high93.2Very high2 Ų215.5 Ų15.51%0.018%0.077CC..THydrogen-bonded Turntrans-84.1-29177-152.6161.7000113.4G32 P37 E38 I41 Y66 A69 V70G32-I34 PolarHBondContact O-N 3.32Å; I34-P37 WeakPolarHBondContact O-CD 3.44Å; I34-E38 PolarHBondContact O-N 3.25Å; I34-I41 HydrophobicContact CG1-CD1 4.1Å; I34-Y66 HydrophobicContact CD1-CE2 4.06Å; I34-Y66 HydrophobicContact CG1-CE2 3.75Å; I34-Y66 PolarHBondContact O-OH 3.35Å; I34-A69 HydrophobicContact CD1-CB 4.28Å; I34-V70 HydrophobicContact CD1-CB 4.45Å; I34-V70 HydrophobicContact CD1-CG2 3.72Å; I34-V70 HydrophobicContact CG1-CG2 4.4Å; I34-V70 HydrophobicContact CG2-CG2 4.11Å
35N92.1Very high93.2Very high0 Ų014.8 Ų14.80%07%0.073CC..THydrogen-bonded Turntrans-68.1-49.3-166177.9-22.4000113.8G32 E38 V291 F292 Y293 S295 T296G32-N35 WeakPolarHBondContact O-CB 3.32Å; G32-N35 PolarHBondContact O-N 3.49Å; G32-N35 VanDerWaalsContact O-N 3.11Å; N35-E38 WeakPolarHBondContact O-CB 3.46Å; N35-E38 PolarHBondContact O-N 2.89Å; N35-V291 PolarHBondContact ND2-O 3.31Å; N35-F292 PolarHBondContact ND2-O 2.88Å; N35-Y293 WeakPolarHBondContact CA-O 3.28Å; N35-Y293 WeakPolarHBondContact CB-O 3.45Å; N35-S295 PolarHBondContact ND2-N 3.15Å; N35-S295 PolarHBondContact ND2-OG 2.99Å; N35-T296 VanDerWaalsContact OD1-CB 3.29Å; N35-T296 WeakPolarHBondContact OD1-CB 3.38Å; N35-T296 PolarHBondContact OD1-N 3.49Å; N35-T296 PolarHBondContact OD1-OG1 3.34Å
36A89.3Confident93Very high7 Ų715.2 Ų15.26%0.0587%0.074CC..THydrogen-bonded Turntrans-68.5-39.8-178.500000114.3E38 G176 K310A36-E38 VanDerWaalsContact C-N 3.31Å; A36-E38 PolarHBondContact O-N 2.97Å; A36-G176 VanDerWaalsContact CB-O 3.28Å; A36-G176 WeakPolarHBondContact CB-O 3.43Å; A36-K310 VanDerWaalsContact O-CE 3.32Å; A36-K310 WeakPolarHBondContact O-CE 3.42Å
37P92.1Very high92.8Very high0 Ų020.2 Ų20.20%010%0.101CC..THydrogen-bonded Turntrans-86.317175.836.7-40.4000115.1V33 I34 K39 N40 I41 W187 L190V33-P37 WeakPolarHBondContact O-CD 3.48Å; V33-P37 WeakPolarHBondContact O-CG 3.16Å; I34-P37 WeakPolarHBondContact O-CD 3.44Å; P37-K39 PolarHBondContact O-N 3.18Å; P37-N40 WeakPolarHBondContact CA-OD1 3.4Å; P37-N40 HydrophobicContact CB-CB 4.42Å; P37-N40 WeakPolarHBondContact O-CB 3.46Å; P37-N40 PolarHBondContact O-N 2.7Å; P37-I41 HydrophobicContact CB-CD1 4.3Å; P37-I41 HydrophobicContact CB-CG1 4.46Å; P37-I41 HydrophobicContact CG-CD1 3.93Å; P37-I41 PolarHBondContact O-N 2.9Å; P37-W187 HydrophobicContact CB-CB 3.79Å; P37-L190 HydrophobicContact CB-CD2 4.48Å; P37-L190 HydrophobicContact CG-CD2 4.03Å
38E90.8Very high92.6Very high14 Ų1418.7 Ų18.77%0.0659%0.094CC..Hα-helixtrans-41.4-61.1-177.5175.2165.4120.500112.7I34 N35 A36 N40 I41 E42 Y66 Y294 S297I34-E38 PolarHBondContact O-N 3.25Å; N35-E38 WeakPolarHBondContact O-CB 3.46Å; N35-E38 PolarHBondContact O-N 2.89Å; A36-E38 VanDerWaalsContact C-N 3.31Å; A36-E38 PolarHBondContact O-N 2.97Å; E38-N40 VanDerWaalsContact C-N 3.32Å; E38-N40 PolarHBondContact O-N 3.35Å; E38-I41 PolarHBondContact O-N 2.84Å; E38-E42 WeakPolarHBondContact O-CG 3.41Å; E38-E42 PolarHBondContact O-N 3.09Å; E38-Y66 HydrophobicContact CB-CE1 4.33Å; E38-Y66 WeakPolarHBondContact CB-OH 3.32Å; E38-Y66 HydrophobicContact CG-CD1 4.34Å; E38-Y66 HydrophobicContact CG-CE1 3.6Å; E38-Y66 HydrophobicContact CG-CE2 4.38Å; E38-Y66 WeakPolarHBondContact OE2-CE1 3.34Å; E38-Y66 PolarHBondContact OE2-OH 2.92Å; E38-Y294 WeakPolarHBondContact OE2-CD1 3.45Å; E38-S297 WeakPolarHBondContact OE1-CB 3.45Å; E38-S297 PolarHBondContact OE1-OG 2.94Å
39K89.8Confident92.4Very high78 Ų7821 Ų2134%0.33910%0.103SC..Hα-helixtrans-61.6-34.6178.8-67.3-175.2-176.5173.60113.8P37 I41 E42 N43 M300 E306P37-K39 PolarHBondContact O-N 3.18Å; K39-I41 VanDerWaalsContact C-N 3.31Å; K39-E42 PolarHBondContact O-N 3.38Å; K39-N43 VanDerWaalsContact O-CB 3.31Å; K39-N43 WeakPolarHBondContact O-CB 3.48Å; K39-N43 PolarHBondContact O-N 3.33Å; K39-N43 PolarHBondContact O-ND2 3.1Å; K39-M300 WeakPolarHBondContact CE-SD 3.4Å; K39-M300 PolarHBondContact NZ-SD 3.49Å; K39-E306 WeakPolarHBondContact CD-OE2 3.47Å; K39-E306 WeakPolarHBondContact CE-OE2 3.47Å; K39-E306 IonicContact NZ-OE2 3.61Å; K39-E306 PolarHBondContact NZ-OE2 2.68Å
40N91.9Very high92.1Very high16 Ų1625.4 Ų25.49%0.08612%0.122CC..Hα-helixtrans-69.6-34.8-179-49.698.4000110.8P37 E38 F44 N184 W187P37-N40 WeakPolarHBondContact CA-OD1 3.4Å; P37-N40 HydrophobicContact CB-CB 4.42Å; P37-N40 WeakPolarHBondContact O-CB 3.46Å; P37-N40 PolarHBondContact O-N 2.7Å; E38-N40 VanDerWaalsContact C-N 3.32Å; E38-N40 PolarHBondContact O-N 3.35Å; N40-F44 WeakPolarHBondContact O-CB 3.27Å; N40-F44 PolarHBondContact O-N 3.01Å; N40-N184 PolarHBondContact ND2-OD1 2.88Å; N40-W187 HydrophobicContact CB-CB 4.42Å; N40-W187 HydrophobicContact CB-CG 4.12Å
41I93.3Very high91.9Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-73.4-44.4174.4-66170.2000110.6I34 P37 E38 K39 F44 M45 Y66 L123 W187I34-I41 HydrophobicContact CG1-CD1 4.1Å; P37-I41 HydrophobicContact CB-CD1 4.3Å; P37-I41 HydrophobicContact CB-CG1 4.46Å; P37-I41 HydrophobicContact CG-CD1 3.93Å; P37-I41 PolarHBondContact O-N 2.9Å; E38-I41 PolarHBondContact O-N 2.84Å; K39-I41 VanDerWaalsContact C-N 3.31Å; I41-F44 PolarHBondContact O-N 2.99Å; I41-M45 HydrophobicContact CG2-CE 3.76Å; I41-M45 WeakPolarHBondContact O-CG 3.41Å; I41-M45 PolarHBondContact O-N 2.95Å; I41-Y66 HydrophobicContact CB-CE2 4.45Å; I41-Y66 HydrophobicContact CG2-CD2 4.05Å; I41-Y66 HydrophobicContact CG2-CE2 4.3Å; I41-L123 HydrophobicContact CG2-CD2 3.79Å; I41-W187 HydrophobicContact CD1-CE3 4.28Å; I41-W187 HydrophobicContact CG1-CD2 3.97Å; I41-W187 HydrophobicContact CG1-CE3 3.69Å; I41-W187 HydrophobicContact CG1-CZ3 4.02Å
42E92.3Very high91.8Very high23 Ų2335.3 Ų35.311%0.10717%0.168CC..Hα-helixtrans-60-45.9175.4-73.5-173.814700112.1E38 K39 F44 M45 K46 I62 Y66E38-E42 WeakPolarHBondContact O-CG 3.41Å; E38-E42 PolarHBondContact O-N 3.09Å; K39-E42 PolarHBondContact O-N 3.38Å; E42-F44 PolarHBondContact O-N 3.21Å; E42-M45 WeakPolarHBondContact O-CB 3.45Å; E42-M45 PolarHBondContact O-N 3.32Å; E42-M45 VanDerWaalsContact O-N 3.15Å; E42-K46 WeakPolarHBondContact O-CG 3.45Å; E42-K46 PolarHBondContact O-N 2.85Å; E42-I62 HydrophobicContact CB-CG2 3.71Å; E42-I62 HydrophobicContact CG-CG2 3.66Å; E42-Y66 HydrophobicContact CG-CD2 4.47Å; E42-Y66 HydrophobicContact CG-CG 4.29Å
43N92.1Very high91.7Very high68 Ų6841.6 Ų41.636%0.36419%0.192SC..Hα-helixtrans-62.6-42.5176.7-70.8-19.6000111.8K39 M45 K46 D47K39-N43 VanDerWaalsContact O-CB 3.31Å; K39-N43 WeakPolarHBondContact O-CB 3.48Å; K39-N43 PolarHBondContact O-N 3.33Å; K39-N43 PolarHBondContact O-ND2 3.1Å; N43-M45 VanDerWaalsContact C-N 3.29Å; N43-M45 PolarHBondContact O-N 3.04Å; N43-K46 WeakPolarHBondContact O-CB 3.41Å; N43-K46 PolarHBondContact O-N 3.14Å; N43-K46 VanDerWaalsContact O-N 3.09Å; N43-D47 VanDerWaalsContact O-CG 3.27Å; N43-D47 PolarHBondContact O-N 2.7Å
44F93.6Very high91.4Very high13 Ų1344.5 Ų44.56%0.05722%0.222CC..Hα-helixtrans-59.4-38172.9165.7-102.8000112.9N40 I41 E42 V48 T114 K115 W187N40-F44 WeakPolarHBondContact O-CB 3.27Å; N40-F44 PolarHBondContact O-N 3.01Å; I41-F44 PolarHBondContact O-N 2.99Å; E42-F44 PolarHBondContact O-N 3.21Å; F44-V48 HydrophobicContact CD2-CG2 3.9Å; F44-V48 HydrophobicContact CE1-CG2 4.37Å; F44-V48 HydrophobicContact CE2-CG2 3.43Å; F44-V48 VanDerWaalsContact CE2-CG2 3.43Å; F44-V48 HydrophobicContact CZ-CG2 3.71Å; F44-V48 WeakPolarHBondContact O-CB 3.45Å; F44-V48 WeakPolarHBondContact O-CG2 3.37Å; F44-V48 PolarHBondContact O-N 2.67Å; F44-T114 HydrophobicContact CD1-CG2 4.46Å; F44-T114 HydrophobicContact CE1-CG2 3.52Å; F44-T114 HydrophobicContact CZ-CG2 3.8Å; F44-T114 WeakPolarHBondContact CZ-O 3.07Å; F44-K115 HydrophobicContact CD2-CG 4.17Å; F44-K115 HydrophobicContact CE2-CB 4.2Å; F44-K115 HydrophobicContact CE2-CG 4.02Å; F44-W187 HydrophobicContact CB-CZ2 3.7Å; F44-W187 AromaticContact CD1-CH2 3.7Å; F44-W187 HydrophobicContact CD1-CH2 3.7Å; F44-W187 AromaticContact CD1-CZ2 3.63Å; F44-W187 HydrophobicContact CD1-CZ2 3.63Å; F44-W187 HydrophobicContact CD2-CZ2 4.02Å; F44-W187 HydrophobicContact CE1-CH2 4.01Å; F44-W187 HydrophobicContact CE1-CZ2 4.25Å; F44-W187 HydrophobicContact CG-CH2 4.06Å; F44-W187 AromaticContact CG-CZ2 3.49Å; F44-W187 HydrophobicContact CG-CZ2 3.49Å; F44-W187 VanDerWaalsContact CG-CZ2 3.49Å
45M93.2Very high91.2Very high0 Ų050.7 Ų50.70%025%0.251CS..Hα-helixtrans-65.7-38.9173.9-70.4177.7-177.300111.9I41 E42 N43 Y49 I62 L65 A69 Y120 L123 F124I41-M45 HydrophobicContact CG2-CE 3.76Å; I41-M45 WeakPolarHBondContact O-CG 3.41Å; I41-M45 PolarHBondContact O-N 2.95Å; E42-M45 WeakPolarHBondContact O-CB 3.45Å; E42-M45 PolarHBondContact O-N 3.32Å; E42-M45 VanDerWaalsContact O-N 3.15Å; N43-M45 VanDerWaalsContact C-N 3.29Å; N43-M45 PolarHBondContact O-N 3.04Å; M45-Y49 VanDerWaalsContact O-CB 3.32Å; M45-Y49 WeakPolarHBondContact O-CB 3.38Å; M45-Y49 PolarHBondContact O-N 3.11Å; M45-I62 HydrophobicContact CB-CD1 3.54Å; M45-L65 HydrophobicContact SD-CB 3.94Å; M45-A69 HydrophobicContact CE-CB 4.22Å; M45-Y120 HydrophobicContact CG-CG 4.4Å; M45-L123 HydrophobicContact CE-CD2 3.9Å; M45-F124 HydrophobicContact CE-CE1 3.82Å; M45-F124 HydrophobicContact CE-CZ 4.39Å
46K92Very high91Very high40 Ų4056.7 Ų56.717%0.17428%0.283CS..Hα-helixtrans-61.9-50.5173.8-65.8172.7-173.8-178.90111.4E42 N43 V48 Y49 K50 I57 E59 I62E42-K46 WeakPolarHBondContact O-CG 3.45Å; E42-K46 PolarHBondContact O-N 2.85Å; N43-K46 WeakPolarHBondContact O-CB 3.41Å; N43-K46 PolarHBondContact O-N 3.14Å; N43-K46 VanDerWaalsContact O-N 3.09Å; K46-V48 PolarHBondContact O-N 3.16Å; K46-Y49 PolarHBondContact O-N 3.29Å; K46-K50 WeakPolarHBondContact O-CB 3.44Å; K46-K50 PolarHBondContact O-N 2.87Å; K46-I57 HydrophobicContact CB-CG2 4.11Å; K46-I57 HydrophobicContact CG-CG2 3.68Å; K46-E59 WeakPolarHBondContact CE-OE2 3.48Å; K46-E59 IonicContact NZ-OE1 2.68Å; K46-E59 PolarHBondContact NZ-OE1 3.3Å; K46-E59 IonicContact NZ-OE2 2.7Å; K46-E59 PolarHBondContact NZ-OE2 2.84Å; K46-I62 HydrophobicContact CG-CD1 3.69Å; K46-I62 HydrophobicContact CG-CG1 3.76Å
47D91.4Very high90.9Very high106 Ų10657.4 Ų57.457%0.56729%0.286SS*.Hα-helixtrans-59-48.5-179.6-65.7-27.9000111.5N43 Y49 K50 D51N43-D47 VanDerWaalsContact O-CG 3.27Å; N43-D47 PolarHBondContact O-N 2.7Å; D47-Y49 PolarHBondContact O-N 2.7Å; D47-K50 PolarHBondContact O-N 3.34Å; D47-D51 WeakPolarHBondContact O-CB 3.26Å; D47-D51 PolarHBondContact O-N 3.38Å
48V91.6Very high90.8Very high4 Ų460.7 Ų60.72%0.02431%0.309CS..Hα-helixtrans-67.5-34.5179.2170.30000112.5F44 K46 R52 H118 Y120F44-V48 HydrophobicContact CD2-CG2 3.9Å; F44-V48 HydrophobicContact CE1-CG2 4.37Å; F44-V48 HydrophobicContact CE2-CG2 3.43Å; F44-V48 VanDerWaalsContact CE2-CG2 3.43Å; F44-V48 HydrophobicContact CZ-CG2 3.71Å; F44-V48 WeakPolarHBondContact O-CB 3.45Å; F44-V48 WeakPolarHBondContact O-CG2 3.37Å; F44-V48 PolarHBondContact O-N 2.67Å; K46-V48 PolarHBondContact O-N 3.16Å; V48-R52 WeakPolarHBondContact O-CD 3.49Å; V48-R52 WeakPolarHBondContact O-CG 3.28Å; V48-R52 PolarHBondContact O-N 3.46Å; V48-H118 VanDerWaalsContact CG1-O 3.27Å; V48-H118 WeakPolarHBondContact CG1-O 3.34Å; V48-H118 HydrophobicContact CG2-CB 4.46Å; V48-Y120 HydrophobicContact CB-CD1 4.22Å; V48-Y120 HydrophobicContact CG1-CD1 3.76Å; V48-Y120 HydrophobicContact CG1-CE1 3.88Å
49Y90.8Very high90.5Very high50 Ų5065 Ų6520%0.19633%0.329CS..Hα-helixtrans-67.1-45.8174.3-169.6-84.3000111M45 K46 D47 D51 R52 Y53 I57M45-Y49 VanDerWaalsContact O-CB 3.32Å; M45-Y49 WeakPolarHBondContact O-CB 3.38Å; M45-Y49 PolarHBondContact O-N 3.11Å; K46-Y49 PolarHBondContact O-N 3.29Å; D47-Y49 PolarHBondContact O-N 2.7Å; Y49-D51 PolarHBondContact O-N 2.98Å; Y49-R52 PolarHBondContact O-N 3.22Å; Y49-Y53 AromaticContact CD1-CD2 3.87Å; Y49-Y53 HydrophobicContact CD1-CD2 3.87Å; Y49-Y53 AromaticContact CD2-CD2 3.59Å; Y49-Y53 HydrophobicContact CD2-CD2 3.59Å; Y49-Y53 AromaticContact CD2-CE2 3.72Å; Y49-Y53 HydrophobicContact CD2-CE2 3.72Å; Y49-Y53 AromaticContact CE1-CD2 3.78Å; Y49-Y53 HydrophobicContact CE1-CD2 3.78Å; Y49-Y53 HydrophobicContact CE1-CG 4.21Å; Y49-Y53 AromaticContact CE2-CD2 3.49Å; Y49-Y53 HydrophobicContact CE2-CD2 3.49Å; Y49-Y53 VanDerWaalsContact CE2-CD2 3.49Å; Y49-Y53 AromaticContact CE2-CE2 3.59Å; Y49-Y53 HydrophobicContact CE2-CE2 3.59Å; Y49-Y53 HydrophobicContact CE2-CG 4.44Å; Y49-Y53 AromaticContact CG-CD2 3.79Å; Y49-Y53 HydrophobicContact CG-CD2 3.79Å; Y49-Y53 HydrophobicContact CG-CE2 4.33Å; Y49-Y53 AromaticContact CZ-CD2 3.58Å; Y49-Y53 WeakPolarHBondContact O-CD2 3.24Å; Y49-Y53 PolarHBondContact O-N 3.49Å; Y49-I57 HydrophobicContact CD1-CB 3.74Å; Y49-I57 HydrophobicContact CD1-CD1 4.06Å; Y49-I57 HydrophobicContact CD1-CG1 4.12Å; Y49-I57 HydrophobicContact CD2-CD1 3.5Å; Y49-I57 VanDerWaalsContact CD2-CD1 3.5Å; Y49-I57 HydrophobicContact CD2-CG1 4.32Å; Y49-I57 HydrophobicContact CE1-CB 4.16Å; Y49-I57 HydrophobicContact CE1-CD1 4.48Å; Y49-I57 HydrophobicContact CE1-CG1 4.29Å; Y49-I57 HydrophobicContact CE2-CD1 3.97Å; Y49-I57 HydrophobicContact CE2-CG1 4.48Å; Y49-I57 HydrophobicContact CG-CB 4.06Å; Y49-I57 HydrophobicContact CG-CD1 3.54Å; Y49-I57 HydrophobicContact CG-CG1 4.13Å
50K90.8Very high90.2Very high96 Ų9667.6 Ų67.642%0.41734%0.342SS..Hα-helixtrans-62.6-42.3-179.9-169.7170.9-163.7150.60112.6K46 D47 R52 G54 D56K46-K50 WeakPolarHBondContact O-CB 3.44Å; K46-K50 PolarHBondContact O-N 2.87Å; D47-K50 PolarHBondContact O-N 3.34Å; K50-R52 VanDerWaalsContact C-N 3.3Å; K50-R52 PolarHBondContact O-N 3.35Å; K50-G54 VanDerWaalsContact O-CA 3.28Å; K50-G54 WeakPolarHBondContact O-CA 3.32Å; K50-G54 PolarHBondContact O-N 2.77Å; K50-D56 WeakPolarHBondContact CD-OD1 3.28Å; K50-D56 WeakPolarHBondContact CE-OD1 3.33Å; K50-D56 IonicContact NZ-OD1 2.68Å; K50-D56 PolarHBondContact NZ-OD1 3.49Å; K50-D56 IonicContact NZ-OD2 2.71Å; K50-D56 PolarHBondContact NZ-OD2 3.42Å
51D90.8Very high90Very high125 Ų12570.9 Ų70.967%0.66836%0.356SS*.Hα-helixtrans-61.4-36.2176.2-173.455.3000112.5D47 Y49D47-D51 WeakPolarHBondContact O-CB 3.26Å; D47-D51 PolarHBondContact O-N 3.38Å; Y49-D51 PolarHBondContact O-N 2.98Å
52R91.4Very high89.9Confident96 Ų9670.9 Ų70.936%0.36236%0.356SS..Hα-helixtrans-83.2-37.4-178.5-69.8170.6179-167.43.2114.8V48 Y49 K50 H118 Y120 E121V48-R52 WeakPolarHBondContact O-CD 3.49Å; V48-R52 WeakPolarHBondContact O-CG 3.28Å; V48-R52 PolarHBondContact O-N 3.46Å; Y49-R52 PolarHBondContact O-N 3.22Å; K50-R52 VanDerWaalsContact C-N 3.3Å; K50-R52 PolarHBondContact O-N 3.35Å; R52-H118 PolarHBondContact NH2-O 3.35Å; R52-Y120 PolarHBondContact NH1-OH 3.47Å; R52-E121 IonicContact CZ-OE1 3.16Å; R52-E121 IonicContact CZ-OE2 2.74Å; R52-E121 IonicContact NH1-OE1 2.71Å; R52-E121 PolarHBondContact NH1-OE1 3.26Å; R52-E121 IonicContact NH1-OE2 3.93Å; R52-E121 PolarHBondContact NH1-OE2 3.4Å; R52-E121 IonicContact NH2-OE1 2.73Å; R52-E121 IonicContact NH2-OE2 3.22Å; R52-E121 PolarHBondContact NH2-OE2 2.77Å
53Y89.8Confident89.6Confident134 Ų13472.8 Ų72.853%0.52537%0.365SS..Hα-helixtrans-114.2-14.6-169.2-61.5-69.3000114Y49 E55Y49-Y53 AromaticContact CD1-CD2 3.87Å; Y49-Y53 HydrophobicContact CD1-CD2 3.87Å; Y49-Y53 AromaticContact CD2-CD2 3.59Å; Y49-Y53 HydrophobicContact CD2-CD2 3.59Å; Y49-Y53 AromaticContact CD2-CE2 3.72Å; Y49-Y53 HydrophobicContact CD2-CE2 3.72Å; Y49-Y53 AromaticContact CE1-CD2 3.78Å; Y49-Y53 HydrophobicContact CE1-CD2 3.78Å; Y49-Y53 HydrophobicContact CE1-CG 4.21Å; Y49-Y53 AromaticContact CE2-CD2 3.49Å; Y49-Y53 HydrophobicContact CE2-CD2 3.49Å; Y49-Y53 VanDerWaalsContact CE2-CD2 3.49Å; Y49-Y53 AromaticContact CE2-CE2 3.59Å; Y49-Y53 HydrophobicContact CE2-CE2 3.59Å; Y49-Y53 HydrophobicContact CE2-CG 4.44Å; Y49-Y53 AromaticContact CG-CD2 3.79Å; Y49-Y53 HydrophobicContact CG-CD2 3.79Å; Y49-Y53 HydrophobicContact CG-CE2 4.33Å; Y49-Y53 AromaticContact CZ-CD2 3.58Å; Y49-Y53 WeakPolarHBondContact O-CD2 3.24Å; Y49-Y53 PolarHBondContact O-N 3.49Å; Y53-E55 PolarHBondContact O-N 3.42Å
54G87.7Confident89.5Confident63 Ų6373.5 Ų73.565%0.64937%0.366SS*.SBendtrans74.6-4.7-176.800000115K50K50-G54 VanDerWaalsContact O-CA 3.28Å; K50-G54 WeakPolarHBondContact O-CA 3.32Å; K50-G54 PolarHBondContact O-N 2.77Å
55E89.6Confident89.4Confident132 Ų13274 Ų7462%0.61737%0.369SS*.SBendtrans-106.7147.3-177.4-64.4-174158.200111.9Y53Y53-E55 PolarHBondContact O-N 3.42Å
56D86.4Confident89.3Confident125 Ų12574.1 Ų74.167%0.66837%0.37SS*.PPolyproline II helixtrans-79.4128.9171.4-80.5-61.2000110.9K50K50-D56 WeakPolarHBondContact CD-OD1 3.28Å; K50-D56 WeakPolarHBondContact CE-OD1 3.33Å; K50-D56 IonicContact NZ-OD1 2.68Å; K50-D56 PolarHBondContact NZ-OD1 3.49Å; K50-D56 IonicContact NZ-OD2 2.71Å; K50-D56 PolarHBondContact NZ-OD2 3.42Å
57I88.3Confident89.2Confident23 Ų2372.5 Ų72.512%0.11836%0.363CS..PPolyproline II helixtrans-83.2147.1-175.3-164.2172.4000111.7K46 Y49 F61 I62 L65K46-I57 HydrophobicContact CB-CG2 4.11Å; K46-I57 HydrophobicContact CG-CG2 3.68Å; Y49-I57 HydrophobicContact CD1-CB 3.74Å; Y49-I57 HydrophobicContact CD1-CD1 4.06Å; Y49-I57 HydrophobicContact CD1-CG1 4.12Å; Y49-I57 HydrophobicContact CD2-CD1 3.5Å; Y49-I57 VanDerWaalsContact CD2-CD1 3.5Å; Y49-I57 HydrophobicContact CD2-CG1 4.32Å; Y49-I57 HydrophobicContact CE1-CB 4.16Å; Y49-I57 HydrophobicContact CE1-CD1 4.48Å; Y49-I57 HydrophobicContact CE1-CG1 4.29Å; Y49-I57 HydrophobicContact CE2-CD1 3.97Å; Y49-I57 HydrophobicContact CE2-CG1 4.48Å; Y49-I57 HydrophobicContact CG-CB 4.06Å; Y49-I57 HydrophobicContact CG-CD1 3.54Å; Y49-I57 HydrophobicContact CG-CG1 4.13Å; I57-F61 HydrophobicContact CD1-CD1 3.59Å; I57-F61 HydrophobicContact CD1-CE1 4.05Å; I57-F61 HydrophobicContact CG1-CD1 3.77Å; I57-I62 HydrophobicContact CB-CG1 4.46Å; I57-I62 HydrophobicContact CD1-CD1 3.73Å; I57-I62 HydrophobicContact CD1-CG1 3.94Å; I57-I62 HydrophobicContact CG1-CD1 4.45Å; I57-I62 HydrophobicContact CG1-CG1 4.15Å; I57-I62 HydrophobicContact CG2-CD1 3.81Å; I57-I62 HydrophobicContact CG2-CG1 3.53Å; I57-L65 HydrophobicContact CD1-CD1 4.01Å
58S88.8Confident89.3Confident69 Ų6970.2 Ų70.248%0.48335%0.353SS..PPolyproline II helixtrans-75.7143.9179.169.20000112.6E60 F61 I62S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.07Å; S58-F61 PolarHBondContact O-N 3.36Å; S58-F61 VanDerWaalsContact O-N 3.12Å; S58-F61 WeakPolarHBondContact OG-CB 3.38Å; S58-F61 PolarHBondContact OG-N 2.96Å; S58-I62 PolarHBondContact O-N 2.84Å
59E84.5Confident89.4Confident105 Ų10570 Ų7049%0.49135%0.352SS..Hα-helixtrans-56.9-39.8177.9-65.9-63.8160.600112.3K46 F61 I62 Q63K46-E59 WeakPolarHBondContact CE-OE2 3.48Å; K46-E59 IonicContact NZ-OE1 2.68Å; K46-E59 PolarHBondContact NZ-OE1 3.3Å; K46-E59 IonicContact NZ-OE2 2.7Å; K46-E59 PolarHBondContact NZ-OE2 2.84Å; E59-F61 PolarHBondContact O-N 3.41Å; E59-I62 PolarHBondContact O-N 3.19Å; E59-Q63 WeakPolarHBondContact O-CG 3.47Å; E59-Q63 PolarHBondContact O-N 3.02Å
60E85.2Confident89.5Confident132 Ų13267.9 Ų67.962%0.61734%0.344SS*.Hα-helixtrans-62.2-41.7177.1-167.1-169.4161.700111.9S58 Q63 Q64S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.07Å; E60-Q63 PolarHBondContact O-N 2.92Å; E60-Q64 VanDerWaalsContact O-CG 3.31Å; E60-Q64 WeakPolarHBondContact O-CG 3.44Å; E60-Q64 PolarHBondContact O-N 3.3Å; E60-Q64 PolarHBondContact OE1-NE2 3.12Å
61F87.4Confident89.6Confident85 Ų8563.4 Ų63.437%0.37333%0.325SS..Hα-helixtrans-73.7-32.6-180-172.1-111.8000112.1I57 S58 E59 Q64 L65I57-F61 HydrophobicContact CD1-CD1 3.59Å; I57-F61 HydrophobicContact CD1-CE1 4.05Å; I57-F61 HydrophobicContact CG1-CD1 3.77Å; S58-F61 PolarHBondContact O-N 3.36Å; S58-F61 VanDerWaalsContact O-N 3.12Å; S58-F61 WeakPolarHBondContact OG-CB 3.38Å; S58-F61 PolarHBondContact OG-N 2.96Å; E59-F61 PolarHBondContact O-N 3.41Å; F61-Q64 WeakPolarHBondContact O-CB 3.5Å; F61-Q64 PolarHBondContact O-N 3.38Å; F61-L65 HydrophobicContact CD1-CD1 4Å; F61-L65 HydrophobicContact CD1-CG 4.43Å; F61-L65 HydrophobicContact CE1-CD1 3.79Å; F61-L65 HydrophobicContact CE1-CD2 4.47Å; F61-L65 HydrophobicContact CE1-CG 4.18Å; F61-L65 HydrophobicContact CZ-CD1 4.46Å; F61-L65 HydrophobicContact CZ-CD2 4.36Å; F61-L65 HydrophobicContact CZ-CG 4.41Å; F61-L65 WeakPolarHBondContact O-CG 3.31Å; F61-L65 PolarHBondContact O-N 2.89Å
62I90.4Very high89.8Confident0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-62.8-45.8168.9-76.3-73.6000111.4E42 M45 K46 I57 S58 E59 Q64 L65 Y66E42-I62 HydrophobicContact CB-CG2 3.71Å; E42-I62 HydrophobicContact CG-CG2 3.66Å; M45-I62 HydrophobicContact CB-CD1 3.54Å; K46-I62 HydrophobicContact CG-CD1 3.69Å; K46-I62 HydrophobicContact CG-CG1 3.76Å; I57-I62 HydrophobicContact CB-CG1 4.46Å; I57-I62 HydrophobicContact CD1-CD1 3.73Å; I57-I62 HydrophobicContact CD1-CG1 3.94Å; I57-I62 HydrophobicContact CG1-CD1 4.45Å; I57-I62 HydrophobicContact CG1-CG1 4.15Å; I57-I62 HydrophobicContact CG2-CD1 3.81Å; I57-I62 HydrophobicContact CG2-CG1 3.53Å; S58-I62 PolarHBondContact O-N 2.84Å; E59-I62 PolarHBondContact O-N 3.19Å; I62-Q64 PolarHBondContact O-N 3.15Å; I62-L65 HydrophobicContact CD1-CD1 4.42Å; I62-L65 PolarHBondContact O-N 3.46Å; I62-L65 VanDerWaalsContact O-N 3.12Å; I62-Y66 PolarHBondContact O-N 3.37Å
63Q86.7Confident90Very high63 Ų6354.7 Ų54.729%0.29429%0.285SS..Hα-helixtrans-60.1-36.5175.5-72.2172.414.400111.5E59 E60 S67E59-Q63 WeakPolarHBondContact O-CG 3.47Å; E59-Q63 PolarHBondContact O-N 3.02Å; E60-Q63 PolarHBondContact O-N 2.92Å; Q63-S67 VanDerWaalsContact O-CB 3.31Å; Q63-S67 WeakPolarHBondContact O-CB 3.33Å; Q63-S67 PolarHBondContact O-N 3.34Å; Q63-S67 PolarHBondContact O-OG 3.43Å
64Q88.8Confident90.2Very high83 Ų8348.4 Ų48.439%0.38826%0.26SS..Hα-helixtrans-65.7-44.8172.6-69.4171.923.500112.4E60 F61 I62 S67 V68E60-Q64 VanDerWaalsContact O-CG 3.31Å; E60-Q64 WeakPolarHBondContact O-CG 3.44Å; E60-Q64 PolarHBondContact O-N 3.3Å; E60-Q64 PolarHBondContact OE1-NE2 3.12Å; F61-Q64 WeakPolarHBondContact O-CB 3.5Å; F61-Q64 PolarHBondContact O-N 3.38Å; I62-Q64 PolarHBondContact O-N 3.15Å; Q64-S67 WeakPolarHBondContact O-CB 3.29Å; Q64-S67 PolarHBondContact O-N 3.44Å; Q64-V68 WeakPolarHBondContact O-CG2 3.49Å; Q64-V68 PolarHBondContact O-N 3.11Å
65L91.9Very high90.5Very high22 Ų2248.4 Ų48.412%0.11525%0.245CC..Hα-helixtrans-62.7-41.4175.9-71171.4000112.4M45 I57 F61 I62 V68 A69 F124M45-L65 HydrophobicContact SD-CB 3.94Å; I57-L65 HydrophobicContact CD1-CD1 4.01Å; F61-L65 HydrophobicContact CD1-CD1 4Å; F61-L65 HydrophobicContact CD1-CG 4.43Å; F61-L65 HydrophobicContact CE1-CD1 3.79Å; F61-L65 HydrophobicContact CE1-CD2 4.47Å; F61-L65 HydrophobicContact CE1-CG 4.18Å; F61-L65 HydrophobicContact CZ-CD1 4.46Å; F61-L65 HydrophobicContact CZ-CD2 4.36Å; F61-L65 HydrophobicContact CZ-CG 4.41Å; F61-L65 WeakPolarHBondContact O-CG 3.31Å; F61-L65 PolarHBondContact O-N 2.89Å; I62-L65 HydrophobicContact CD1-CD1 4.42Å; I62-L65 PolarHBondContact O-N 3.46Å; I62-L65 VanDerWaalsContact O-N 3.12Å; L65-V68 WeakPolarHBondContact O-CB 3.26Å; L65-V68 PolarHBondContact O-N 3.07Å; L65-A69 PolarHBondContact O-N 3.32Å; L65-F124 HydrophobicContact CB-CZ 4.39Å; L65-F124 HydrophobicContact CD2-CE2 4.38Å; L65-F124 HydrophobicContact CD2-CZ 4.07Å
66Y91.8Very high90.8Very high4 Ų442.1 Ų42.12%0.01622%0.216CC..Hα-helixtrans-66.7-40.4174.2-178.7-109.9000111.8I34 E38 I41 E42 I62 V68 A69 V70 Y294I34-Y66 HydrophobicContact CD1-CE2 4.06Å; I34-Y66 HydrophobicContact CG1-CE2 3.75Å; I34-Y66 PolarHBondContact O-OH 3.35Å; E38-Y66 HydrophobicContact CB-CE1 4.33Å; E38-Y66 WeakPolarHBondContact CB-OH 3.32Å; E38-Y66 HydrophobicContact CG-CD1 4.34Å; E38-Y66 HydrophobicContact CG-CE1 3.6Å; E38-Y66 HydrophobicContact CG-CE2 4.38Å; E38-Y66 WeakPolarHBondContact OE2-CE1 3.34Å; E38-Y66 PolarHBondContact OE2-OH 2.92Å; I41-Y66 HydrophobicContact CB-CE2 4.45Å; I41-Y66 HydrophobicContact CG2-CD2 4.05Å; I41-Y66 HydrophobicContact CG2-CE2 4.3Å; E42-Y66 HydrophobicContact CG-CD2 4.47Å; E42-Y66 HydrophobicContact CG-CG 4.29Å; I62-Y66 PolarHBondContact O-N 3.37Å; Y66-V68 VanDerWaalsContact C-N 3.26Å; Y66-V68 PolarHBondContact O-N 3.38Å; Y66-A69 WeakPolarHBondContact O-CA 3.31Å; Y66-A69 WeakPolarHBondContact O-CB 3.35Å; Y66-A69 PolarHBondContact O-N 2.97Å; Y66-V70 HydrophobicContact CD1-CG2 4.36Å; Y66-V70 HydrophobicContact CE1-CG2 4.03Å; Y66-V70 HydrophobicContact CE2-CG2 4.47Å; Y66-V70 WeakPolarHBondContact O-CG2 3.39Å; Y66-V70 PolarHBondContact O-N 3.24Å; Y66-Y294 HydrophobicContact CD1-CE1 4.14Å; Y66-Y294 HydrophobicContact CE1-CD1 4.06Å; Y66-Y294 AromaticContact CE1-CE1 3.65Å; Y66-Y294 HydrophobicContact CE1-CE1 3.65Å
67S90.1Very high91.2Very high5 Ų536.2 Ų36.24%0.03518%0.184CC..Hα-helixtrans-57.4-38.9172.1-57.90000111.9Q63 Q64 S71 P426Q63-S67 VanDerWaalsContact O-CB 3.31Å; Q63-S67 WeakPolarHBondContact O-CB 3.33Å; Q63-S67 PolarHBondContact O-N 3.34Å; Q63-S67 PolarHBondContact O-OG 3.43Å; Q64-S67 WeakPolarHBondContact O-CB 3.29Å; Q64-S67 PolarHBondContact O-N 3.44Å; S67-S71 WeakPolarHBondContact O-CB 3.48Å; S67-S71 PolarHBondContact O-N 3.5Å; S67-S71 PolarHBondContact O-OG 3Å; S67-P426 VanDerWaalsContact OG-CG 3.3Å; S67-P426 WeakPolarHBondContact OG-CG 3.16Å
68V93.7Very high91.3Very high59 Ų5937 Ų3736%0.35819%0.187SC..Hα-helixtrans-66.3-42.2172.9170.70000111.4Q64 L65 Y66 V70 S71 I72Q64-V68 WeakPolarHBondContact O-CG2 3.49Å; Q64-V68 PolarHBondContact O-N 3.11Å; L65-V68 WeakPolarHBondContact O-CB 3.26Å; L65-V68 PolarHBondContact O-N 3.07Å; Y66-V68 VanDerWaalsContact C-N 3.26Å; Y66-V68 PolarHBondContact O-N 3.38Å; V68-V70 VanDerWaalsContact C-N 3.35Å; V68-V70 PolarHBondContact O-N 2.95Å; V68-S71 PolarHBondContact O-N 3.31Å; V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CG2 3.42Å; V68-I72 PolarHBondContact O-N 2.85Å
69A93.1Very high91.6Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-59.7-41.4176.200000113.2I34 M45 L65 Y66 F124 R127I34-A69 HydrophobicContact CD1-CB 4.28Å; M45-A69 HydrophobicContact CE-CB 4.22Å; L65-A69 PolarHBondContact O-N 3.32Å; Y66-A69 WeakPolarHBondContact O-CA 3.31Å; Y66-A69 WeakPolarHBondContact O-CB 3.35Å; Y66-A69 PolarHBondContact O-N 2.97Å; A69-F124 HydrophobicContact CB-CD1 3.94Å; A69-F124 HydrophobicContact CB-CE1 3.84Å; A69-R127 WeakPolarHBondContact O-CG 3.33Å
70V92Very high91.9Very high4 Ų433 Ų332%0.02416%0.164CC..Hα-helixtrans-65.6-48.2173.2176.80000110.4I34 Y66 V68 F73 Y293 Y294I34-V70 HydrophobicContact CD1-CB 4.45Å; I34-V70 HydrophobicContact CD1-CG2 3.72Å; I34-V70 HydrophobicContact CG1-CG2 4.4Å; I34-V70 HydrophobicContact CG2-CG2 4.11Å; Y66-V70 HydrophobicContact CD1-CG2 4.36Å; Y66-V70 HydrophobicContact CE1-CG2 4.03Å; Y66-V70 HydrophobicContact CE2-CG2 4.47Å; Y66-V70 WeakPolarHBondContact O-CG2 3.39Å; Y66-V70 PolarHBondContact O-N 3.24Å; V68-V70 VanDerWaalsContact C-N 3.35Å; V68-V70 PolarHBondContact O-N 2.95Å; V70-F73 WeakPolarHBondContact O-CB 3.37Å; V70-Y293 HydrophobicContact CG1-CD1 4.3Å; V70-Y293 HydrophobicContact CG1-CD2 3.5Å; V70-Y293 HydrophobicContact CG1-CE2 3.98Å; V70-Y293 HydrophobicContact CG1-CG 3.7Å; V70-Y294 HydrophobicContact CG2-CE1 4.17Å
71S92.9Very high92Very high2 Ų227 Ų271%0.01414%0.137CC..Hα-helixtrans-81.7-29.7-165.5-55.70000114.4S67 V68 F73 A74 I75 I423S67-S71 WeakPolarHBondContact O-CB 3.48Å; S67-S71 PolarHBondContact O-N 3.5Å; S67-S71 PolarHBondContact O-OG 3Å; V68-S71 PolarHBondContact O-N 3.31Å; S71-F73 PolarHBondContact O-N 2.93Å; S71-A74 WeakPolarHBondContact O-CB 3.33Å; S71-A74 PolarHBondContact O-N 3.27Å; S71-I75 PolarHBondContact O-N 3.38Å; S71-I423 VanDerWaalsContact OG-CA 3.28Å; S71-I423 WeakPolarHBondContact OG-CA 3.27Å; S71-I423 WeakPolarHBondContact OG-CB 3.33Å; S71-I423 PolarHBondContact OG-N 2.91Å
72I95.9Very high92Very high37 Ų3729.2 Ų29.219%0.1915%0.147CC..Hα-helixtrans-63.5-24.4179.9-158.7174.5000112.4V68 A74 I75 G76 F124 R127 F128V68-I72 WeakPolarHBondContact O-CB 3.41Å; V68-I72 WeakPolarHBondContact O-CG2 3.42Å; V68-I72 PolarHBondContact O-N 2.85Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.19Å; I72-I75 PolarHBondContact O-N 3.01Å; I72-G76 PolarHBondContact O-N 3.05Å; I72-F124 HydrophobicContact CD1-CB 4.32Å; I72-R127 HydrophobicContact CG2-CB 3.59Å; I72-F128 HydrophobicContact CD1-CB 4.03Å; I72-F128 HydrophobicContact CG1-CB 3.99Å; I72-F128 HydrophobicContact CG1-CD2 4.13Å; I72-F128 HydrophobicContact CG1-CG 4.47Å
73F95.4Very high91.9Very high2 Ų231 Ų311%0.00916%0.159CC..Hα-helixtrans-58-41.3168.6175.4-106000112.5F27 N30 V70 S71 G76 G77 R127 I130 G131 C134 W415F27-F73 HydrophobicContact CD2-CZ 4.18Å; F27-F73 HydrophobicContact CE2-CE1 4.43Å; F27-F73 HydrophobicContact CE2-CZ 4.45Å; N30-F73 HydrophobicContact CB-CE2 3.77Å; N30-F73 HydrophobicContact CB-CZ 4.02Å; V70-F73 WeakPolarHBondContact O-CB 3.37Å; S71-F73 PolarHBondContact O-N 2.93Å; F73-G76 PolarHBondContact O-N 3.03Å; F73-G77 PolarHBondContact O-N 3.03Å; F73-R127 WeakPolarHBondContact CA-O 3.36Å; F73-I130 HydrophobicContact CD2-CG2 3.93Å; F73-I130 HydrophobicContact CE2-CG2 4.15Å; F73-G131 VanDerWaalsContact CD2-CA 3.4Å; F73-G131 WeakPolarHBondContact O-CA 3.17Å; F73-C134 HydrophobicContact CE2-CB 3.92Å; F73-C134 HydrophobicContact CZ-CB 3.84Å; F73-W415 HydrophobicContact CD1-CZ3 4.44Å; F73-W415 HydrophobicContact CE1-CH2 4.33Å; F73-W415 HydrophobicContact CE1-CZ3 4.14Å
74A93.5Very high91.9Very high1 Ų128 Ų281%0.00815%0.145CC..Hα-helixtrans-72.4-30.8178.400000112.7S71 I72 G77 M78 W415 N418 F419S71-A74 WeakPolarHBondContact O-CB 3.33Å; S71-A74 PolarHBondContact O-N 3.27Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.19Å; A74-G77 PolarHBondContact O-N 3.44Å; A74-M78 WeakPolarHBondContact O-CB 3.41Å; A74-M78 PolarHBondContact O-N 2.59Å; A74-W415 HydrophobicContact CB-CE3 4.18Å; A74-N418 HydrophobicContact CB-CB 4.35Å; A74-F419 HydrophobicContact CB-CB 3.88Å
75I94.8Very high91.7Very high64 Ų6425.8 Ų25.833%0.32814%0.144SC..Hα-helixtrans-64.9-45.3170.5-53.6-179.3000110.1S71 I72 G77 M78 L79 F128 F419S71-I75 PolarHBondContact O-N 3.38Å; I72-I75 PolarHBondContact O-N 3.01Å; I75-G77 PolarHBondContact O-N 2.76Å; I75-M78 WeakPolarHBondContact O-CB 3.28Å; I75-M78 PolarHBondContact O-N 3.04Å; I75-L79 PolarHBondContact O-N 3.41Å; I75-F128 HydrophobicContact CG2-CE2 4.26Å; I75-F419 HydrophobicContact CD1-CD2 4.05Å; I75-F419 HydrophobicContact CD1-CE2 3.63Å; I75-F419 HydrophobicContact CD1-CZ 4.23Å; I75-F419 HydrophobicContact CG1-CD2 3.6Å; I75-F419 HydrophobicContact CG1-CE2 3.74Å; I75-F419 HydrophobicContact CG1-CG 4.32Å
76G95.6Very high91.6Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-57.6-48.5172.400000111.7I72 F73 M78 L79 G80 G131 V132I72-G76 PolarHBondContact O-N 3.05Å; F73-G76 PolarHBondContact O-N 3.03Å; G76-M78 VanDerWaalsContact C-N 3.29Å; G76-M78 PolarHBondContact O-N 3.45Å; G76-L79 PolarHBondContact O-N 3.37Å; G76-L79 VanDerWaalsContact O-N 3.14Å; G76-G80 PolarHBondContact O-N 2.91Å; G76-G131 CarbonylContact C-O 3.52Å; G76-V132 VanDerWaalsContact O-CA 3.29Å; G76-V132 WeakPolarHBondContact O-CA 3.46Å
77G93.6Very high91.5Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-56.9-38.9177.700000113.6F73 A74 I75 G80 G81 G131 G135 W415F73-G77 PolarHBondContact O-N 3.03Å; A74-G77 PolarHBondContact O-N 3.44Å; I75-G77 PolarHBondContact O-N 2.76Å; G77-G80 PolarHBondContact O-N 2.95Å; G77-G81 PolarHBondContact O-N 3.28Å; G77-G131 VanDerWaalsContact CA-O 3.25Å; G77-G131 WeakPolarHBondContact CA-O 3.47Å; G77-G131 VanDerWaalsContact N-C 3.33Å; G77-G131 PolarHBondContact N-O 3.33Å; G77-G135 WeakPolarHBondContact O-CA 3.44Å; G77-W415 PolarHBondContact O-NE1 3.49Å
78M92.1Very high91.4Very high39 Ų3933.2 Ų33.219%0.19217%0.172CC..Hα-helixtrans-60.1-48.7174.5-166.6-172.7-57.900112.2A74 I75 G76 F82 L412 W415 M416A74-M78 WeakPolarHBondContact O-CB 3.41Å; A74-M78 PolarHBondContact O-N 2.59Å; I75-M78 WeakPolarHBondContact O-CB 3.28Å; I75-M78 PolarHBondContact O-N 3.04Å; G76-M78 VanDerWaalsContact C-N 3.29Å; G76-M78 PolarHBondContact O-N 3.45Å; M78-F82 WeakPolarHBondContact O-CB 2.99Å; M78-F82 PolarHBondContact O-N 3.32Å; M78-L412 HydrophobicContact CG-CD1 3.52Å; M78-L412 HydrophobicContact SD-CD1 3.62Å; M78-W415 HydrophobicContact CB-CB 3.84Å; M78-W415 HydrophobicContact CG-CB 4.26Å; M78-M416 HydrophobicContact CE-CB 3.9Å; M78-M416 HydrophobicContact CE-CG 4.42Å
79L93.5Very high91.1Very high92 Ų9234.6 Ų34.648%0.48218%0.177SC..Hα-helixtrans-67.1-41.4178.6-65.2174.1000111.8I75 G76 S83 F128I75-L79 PolarHBondContact O-N 3.41Å; G76-L79 PolarHBondContact O-N 3.37Å; G76-L79 VanDerWaalsContact O-N 3.14Å; L79-S83 WeakPolarHBondContact O-CB 3.32Å; L79-S83 PolarHBondContact O-N 3.07Å; L79-S83 PolarHBondContact O-OG 3.07Å; L79-F128 HydrophobicContact CD1-CE2 3.78Å; L79-F128 HydrophobicContact CD1-CZ 3.63Å
80G92.2Very high90.9Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-65.1-47.3177.400000112.6G76 G77 S83 G84 G135 L136G76-G80 PolarHBondContact O-N 2.91Å; G77-G80 PolarHBondContact O-N 2.95Å; G80-S83 PolarHBondContact O-N 3.19Å; G80-S83 PolarHBondContact O-OG 3.48Å; G80-G84 PolarHBondContact O-N 2.97Å; G80-G135 VanDerWaalsContact C-C 3.45Å; G80-L136 WeakPolarHBondContact O-CD2 3.33Å
81G87.4Confident90.9Very high5 Ų545.6 Ų45.65%0.05222%0.22CC..Hα-helixtrans-65.1-40.4179.300000112.9G77 G84 G135 S139G77-G81 PolarHBondContact O-N 3.28Å; G81-G84 PolarHBondContact O-N 3.06Å; G81-G135 WeakPolarHBondContact CA-O 3.37Å; G81-S139 PolarHBondContact O-OG 3.48Å
82F85.8Confident90.8Very high132 Ų13245.5 Ų45.558%0.57922%0.22SC*.Hα-helixtrans-67.9-38.8176.1-172.5-98.2000112.6M78 G84M78-F82 WeakPolarHBondContact O-CB 2.99Å; M78-F82 PolarHBondContact O-N 3.32Å; F82-G84 VanDerWaalsContact C-N 3.35Å
83S89.5Confident90.7Very high38 Ų3844.6 Ų44.627%0.26621%0.214SC..Hα-helixtrans-79-12.8179.159.50000114.5L79 G80 G85 W86 M87L79-S83 WeakPolarHBondContact O-CB 3.32Å; L79-S83 PolarHBondContact O-N 3.07Å; L79-S83 PolarHBondContact O-OG 3.07Å; G80-S83 PolarHBondContact O-N 3.19Å; G80-S83 PolarHBondContact O-OG 3.48Å; S83-G85 VanDerWaalsContact C-N 3.34Å; S83-G85 PolarHBondContact O-N 3.22Å; S83-W86 PolarHBondContact O-N 3.25Å; S83-W86 VanDerWaalsContact O-N 3.11Å; S83-M87 PolarHBondContact O-N 3.01Å
84G86.5Confident90.6Very high0 Ų046.3 Ų46.30%022%0.221CC..Hα-helixtrans-55.3-40.3-178.100000114.8G80 G81 F82 M87 A88G80-G84 PolarHBondContact O-N 2.97Å; G81-G84 PolarHBondContact O-N 3.06Å; F82-G84 VanDerWaalsContact C-N 3.35Å; G84-M87 PolarHBondContact O-N 3.42Å; G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 2.85Å
85G85Confident90.6Very high35 Ų3547.1 Ų47.136%0.36123%0.23SC..Hα-helixtrans-66.5-38.6176.900000113.5S83 N89S83-G85 VanDerWaalsContact C-N 3.34Å; S83-G85 PolarHBondContact O-N 3.22Å; G85-N89 PolarHBondContact O-N 3.02Å; G85-N89 PolarHBondContact O-ND2 3.41Å
86W88.3Confident90.6Very high160 Ų16044 Ų4461%0.60621%0.214SC*.Hα-helixtrans-66.5-45.5174.3175.990.4000111S83 A88 N89 R90 F91S83-W86 PolarHBondContact O-N 3.25Å; S83-W86 VanDerWaalsContact O-N 3.11Å; W86-A88 PolarHBondContact O-N 2.86Å; W86-N89 PolarHBondContact O-N 3.25Å; W86-R90 HydrophobicContact CD2-CB 4.49Å; W86-R90 HydrophobicContact CH2-CG 4.36Å; W86-R90 HydrophobicContact CZ2-CB 4.47Å; W86-R90 HydrophobicContact CZ2-CG 4.11Å; W86-R90 VanDerWaalsContact O-CB 3.25Å; W86-R90 WeakPolarHBondContact O-CB 3.35Å; W86-R90 PolarHBondContact O-N 3.47Å; W86-F91 AromaticContact CH2-CE2 3.85Å; W86-F91 HydrophobicContact CH2-CE2 3.85Å; W86-F91 HydrophobicContact CH2-CZ 4.48Å; W86-F91 AromaticContact CZ3-CE2 3.84Å; W86-F91 HydrophobicContact CZ3-CE2 3.84Å
87M90.8Very high90.6Very high28 Ų2844 Ų4414%0.13821%0.214CC..Hα-helixtrans-57.9-50.6177.9-171.967.569.200111.4S83 G84 N89 R90 F91 L99 L136 L140S83-M87 PolarHBondContact O-N 3.01Å; G84-M87 PolarHBondContact O-N 3.42Å; M87-N89 VanDerWaalsContact C-N 3.27Å; M87-N89 PolarHBondContact O-N 3.12Å; M87-R90 PolarHBondContact O-N 3.48Å; M87-F91 PolarHBondContact O-N 3.36Å; M87-F91 HydrophobicContact SD-CD2 3.45Å; M87-F91 WeakPolarHBondContact SD-CD2 3.37Å; M87-F91 HydrophobicContact SD-CE2 3.85Å; M87-F91 HydrophobicContact SD-CG 4.35Å; M87-L99 HydrophobicContact SD-CD1 4.12Å; M87-L136 HydrophobicContact CB-CD2 4.15Å; M87-L136 HydrophobicContact CE-CD1 4.46Å; M87-L136 HydrophobicContact CE-CD2 4.47Å; M87-L136 HydrophobicContact CG-CD2 4.34Å; M87-L140 HydrophobicContact CG-CD1 4.28Å
88A87.9Confident90.7Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-59.5-34.7-178.900000113.5G84 W86 G92 R93 L140 M143 Y214G84-A88 WeakPolarHBondContact O-CB 3.35Å; G84-A88 PolarHBondContact O-N 2.85Å; W86-A88 PolarHBondContact O-N 2.86Å; A88-G92 CarbonylContact O-C 3.54Å; A88-G92 VanDerWaalsContact O-CA 3.23Å; A88-G92 WeakPolarHBondContact O-CA 3.3Å; A88-G92 PolarHBondContact O-N 2.98Å; A88-R93 VanDerWaalsContact C-NH1 3.3Å; A88-R93 HydrophobicContact CB-CG 4.44Å; A88-R93 PolarHBondContact O-NH1 3.05Å; A88-L140 HydrophobicContact CB-CD2 3.73Å; A88-M143 HydrophobicContact CB-CE 4.2Å; A88-M143 HydrophobicContact CB-SD 3.53Å; A88-M143 VanDerWaalsContact CB-SD 3.53Å; A88-Y214 WeakPolarHBondContact O-CE2 3.49Å
89N87.3Confident90.9Very high88 Ų8848 Ų4847%0.47124%0.236SC..Hα-helixtrans-84.1-40.3179.5-70.4-16.6000111.7G85 W86 M87 R93 Y214G85-N89 PolarHBondContact O-N 3.02Å; G85-N89 PolarHBondContact O-ND2 3.41Å; W86-N89 PolarHBondContact O-N 3.25Å; M87-N89 VanDerWaalsContact C-N 3.27Å; M87-N89 PolarHBondContact O-N 3.12Å; N89-R93 PolarHBondContact OD1-NH1 2.89Å; N89-Y214 WeakPolarHBondContact O-CE2 3.44Å; N89-Y214 PolarHBondContact O-OH 3.09Å
90R89.4Confident91Very high148 Ų14843.8 Ų43.856%0.55821%0.213SC*.Hα-helixtrans-72.6-34.2-175.8-177.160.4-173.186.7-6.7113.8W86 M87W86-R90 HydrophobicContact CD2-CB 4.49Å; W86-R90 HydrophobicContact CH2-CG 4.36Å; W86-R90 HydrophobicContact CZ2-CB 4.47Å; W86-R90 HydrophobicContact CZ2-CG 4.11Å; W86-R90 VanDerWaalsContact O-CB 3.25Å; W86-R90 WeakPolarHBondContact O-CB 3.35Å; W86-R90 PolarHBondContact O-N 3.47Å; M87-R90 PolarHBondContact O-N 3.48Å
91F92.1Very high91.2Very high86 Ų8643.8 Ų43.838%0.37721%0.213SC..Hα-helixtrans-122.4-7.2-173.4-61-81.1000114.6W86 M87 G95 L99W86-F91 AromaticContact CH2-CE2 3.85Å; W86-F91 HydrophobicContact CH2-CE2 3.85Å; W86-F91 HydrophobicContact CH2-CZ 4.48Å; W86-F91 AromaticContact CZ3-CE2 3.84Å; W86-F91 HydrophobicContact CZ3-CE2 3.84Å; M87-F91 PolarHBondContact O-N 3.36Å; M87-F91 HydrophobicContact SD-CD2 3.45Å; M87-F91 WeakPolarHBondContact SD-CD2 3.37Å; M87-F91 HydrophobicContact SD-CE2 3.85Å; M87-F91 HydrophobicContact SD-CG 4.35Å; F91-G95 WeakPolarHBondContact O-CA 3.47Å; F91-L99 HydrophobicContact CB-CD1 4.12Å; F91-L99 HydrophobicContact CD1-CD1 3.7Å; F91-L99 HydrophobicContact CD2-CD1 3.99Å; F91-L99 HydrophobicContact CE1-CD1 4.04Å; F91-L99 HydrophobicContact CE2-CD1 4.31Å; F91-L99 HydrophobicContact CG-CD1 3.66Å; F91-L99 HydrophobicContact CZ-CD1 4.33Å
92G91.1Very high91.5Very high0 Ų047.8 Ų47.80%024%0.237CC..  trans86.8172.9-168.600000112A88 G96 E210 Y214A88-G92 CarbonylContact O-C 3.54Å; A88-G92 VanDerWaalsContact O-CA 3.23Å; A88-G92 WeakPolarHBondContact O-CA 3.3Å; A88-G92 PolarHBondContact O-N 2.98Å; G92-G96 PolarHBondContact O-N 3.43Å; G92-E210 WeakPolarHBondContact CA-OE2 3.49Å; G92-Y214 VanDerWaalsContact CA-CZ 3.43Å; G92-Y214 PolarHBondContact N-OH 3.31Å
93R93.1Very high92Very high19 Ų1944.5 Ų44.57%0.07223%0.225CC..Hα-helixtrans-83.8-48.3-174.2-73.164.6159.5129.24.2110A88 N89 G96 L97 M143 Y144 E147 E210A88-R93 VanDerWaalsContact C-NH1 3.3Å; A88-R93 HydrophobicContact CB-CG 4.44Å; A88-R93 PolarHBondContact O-NH1 3.05Å; N89-R93 PolarHBondContact OD1-NH1 2.89Å; R93-G96 PolarHBondContact O-N 3.29Å; R93-L97 WeakPolarHBondContact O-CG 3.41Å; R93-L97 PolarHBondContact O-N 2.97Å; R93-M143 HydrophobicContact CG-CG 3.99Å; R93-M143 HydrophobicContact CG-SD 3.9Å; R93-M143 VanDerWaalsContact CZ-SD 3.5Å; R93-Y144 HydrophobicContact CB-CD2 3.76Å; R93-Y144 HydrophobicContact CB-CG 4.39Å; R93-E147 WeakPolarHBondContact CD-OE2 3.39Å; R93-E147 IonicContact CZ-OE1 2.68Å; R93-E147 IonicContact CZ-OE2 3.59Å; R93-E147 IonicContact NE-OE1 2.67Å; R93-E147 PolarHBondContact NE-OE1 2.89Å; R93-E147 IonicContact NE-OE2 2.7Å; R93-E147 PolarHBondContact NE-OE2 3.36Å; R93-E147 IonicContact NH2-OE1 2.7Å; R93-E147 PolarHBondContact NH2-OE1 2.89Å; R93-E147 IonicContact NH2-OE2 2.68Å; R93-E210 VanDerWaalsContact N-CD 3.34Å; R93-E210 PolarHBondContact N-OE1 3.05Å; R93-E210 PolarHBondContact N-OE2 3.14Å; R93-E210 VanDerWaalsContact N-OE2 3.16Å
94K94.1Very high92.3Very high37 Ų3742.7 Ų42.716%0.16121%0.212CC..Hα-helixtrans-60.7-45.5167.6169.9-176.8171.5177.40110.6G96 L97 L98 Y144 L205 P206 C208 E210K94-G96 PolarHBondContact O-N 3.32Å; K94-L97 PolarHBondContact O-N 3.01Å; K94-L98 HydrophobicContact CG-CD1 3.99Å; K94-L98 HydrophobicContact CG-CG 4.46Å; K94-L98 WeakPolarHBondContact O-CG 3.36Å; K94-L98 PolarHBondContact O-N 3.12Å; K94-Y144 HydrophobicContact CB-CE2 4.1Å; K94-L205 WeakPolarHBondContact CE-O 3.31Å; K94-L205 HydrophobicContact CG-CD1 4.31Å; K94-L205 HydrophobicContact CG-CG 4.1Å; K94-P206 PolarHBondContact NZ-O 3.08Å; K94-C208 PolarHBondContact NZ-O 2.91Å; K94-E210 HydrophobicContact CB-CB 4.42Å; K94-E210 WeakPolarHBondContact CB-OE2 3.42Å; K94-E210 PolarHBondContact N-OE1 3.37Å; K94-E210 PolarHBondContact N-OE2 3.25Å; K94-E210 VanDerWaalsContact N-OE2 3.09Å
95G93.1Very high92.9Very high18 Ų1844.7 Ų44.719%0.18622%0.222CC..Hα-helixtrans-59.5-45.7177.900000113.1F91 L98 L99 E210F91-G95 WeakPolarHBondContact O-CA 3.47Å; G95-L98 PolarHBondContact O-N 3.22Å; G95-L99 WeakPolarHBondContact O-CG 3.32Å; G95-L99 PolarHBondContact O-N 3.33Å; G95-L99 VanDerWaalsContact O-N 3.1Å; G95-E210 PolarHBondContact N-OE2 3.31Å
96G94.5Very high93.4Very high0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-60.8-43.8174.400000113.3G92 R93 K94 L99 N100G92-G96 PolarHBondContact O-N 3.43Å; R93-G96 PolarHBondContact O-N 3.29Å; K94-G96 PolarHBondContact O-N 3.32Å; G96-L99 PolarHBondContact O-N 2.87Å; G96-N100 WeakPolarHBondContact O-CB 3.43Å; G96-N100 PolarHBondContact O-N 3.01Å
97L95.3Very high93.8Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-64.5-41176.5-73.7171.7000112.3A20 R93 K94 L99 N100 N101 L140 V141 Y144 L205A20-L97 HydrophobicContact CB-CD1 4.35Å; R93-L97 WeakPolarHBondContact O-CG 3.41Å; R93-L97 PolarHBondContact O-N 2.97Å; K94-L97 PolarHBondContact O-N 3.01Å; L97-L99 PolarHBondContact O-N 3.27Å; L97-N100 WeakPolarHBondContact O-CB 3.46Å; L97-N100 PolarHBondContact O-N 3.01Å; L97-N100 VanDerWaalsContact O-N 3.17Å; L97-N101 PolarHBondContact O-N 2.63Å; L97-N101 VanDerWaalsContact O-N 3.15Å; L97-N101 PolarHBondContact O-ND2 3.35Å; L97-L140 HydrophobicContact CD2-CB 3.59Å; L97-L140 HydrophobicContact CD2-CD1 4.18Å; L97-L140 HydrophobicContact CG-CB 3.95Å; L97-L140 HydrophobicContact CG-CD1 4.43Å; L97-V141 HydrophobicContact CD2-CG2 3.64Å; L97-Y144 HydrophobicContact CD1-CD1 4.49Å; L97-Y144 HydrophobicContact CD1-CG 4.28Å; L97-L205 HydrophobicContact CB-CD2 3.49Å; L97-L205 VanDerWaalsContact CB-CD2 3.49Å; L97-L205 HydrophobicContact CD1-CD2 4.36Å
98L95.9Very high94.1Very high43 Ų4336 Ų3623%0.22519%0.186CC..Hα-helixtrans-61.2-44.7175.6-72.6169.5000111.9K94 G95 N100 N101 L202 L205 P206K94-L98 HydrophobicContact CG-CD1 3.99Å; K94-L98 HydrophobicContact CG-CG 4.46Å; K94-L98 WeakPolarHBondContact O-CG 3.36Å; K94-L98 PolarHBondContact O-N 3.12Å; G95-L98 PolarHBondContact O-N 3.22Å; L98-N100 VanDerWaalsContact C-N 3.31Å; L98-N100 PolarHBondContact O-N 2.95Å; L98-N101 PolarHBondContact O-N 3.28Å; L98-L202 HydrophobicContact CD2-CD1 3.98Å; L98-L205 HydrophobicContact CD2-CB 4.09Å; L98-L205 HydrophobicContact CD2-CD2 3.93Å; L98-L205 HydrophobicContact CD2-CG 4.13Å; L98-L205 HydrophobicContact CG-CD2 3.87Å; L98-L205 HydrophobicContact CG-CG 4.28Å; L98-P206 HydrophobicContact CD2-CG 4.05Å
99L95.3Very high94.5Very high80 Ų8038.1 Ų38.142%0.41920%0.2SC..Hα-helixtrans-62.6-38.5173.3-69.8170.9000111.9M87 F91 G95 G96 L97 N101 V102M87-L99 HydrophobicContact SD-CD1 4.12Å; F91-L99 HydrophobicContact CB-CD1 4.12Å; F91-L99 HydrophobicContact CD1-CD1 3.7Å; F91-L99 HydrophobicContact CD2-CD1 3.99Å; F91-L99 HydrophobicContact CE1-CD1 4.04Å; F91-L99 HydrophobicContact CE2-CD1 4.31Å; F91-L99 HydrophobicContact CG-CD1 3.66Å; F91-L99 HydrophobicContact CZ-CD1 4.33Å; G95-L99 WeakPolarHBondContact O-CG 3.32Å; G95-L99 PolarHBondContact O-N 3.33Å; G95-L99 VanDerWaalsContact O-N 3.1Å; G96-L99 PolarHBondContact O-N 2.87Å; L97-L99 PolarHBondContact O-N 3.27Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.47Å; L99-V102 WeakPolarHBondContact O-CB 3.45Å; L99-V102 PolarHBondContact O-N 2.85Å; L99-V102 VanDerWaalsContact O-N 3.12Å
100N96.4Very high95Very high2 Ų235.9 Ų35.91%0.01119%0.188CC..Hα-helixtrans-64.6-28.7-179.3-163.633.6000113.6G96 L97 L98 V102 L103 G104 N133 L136 N137G96-N100 WeakPolarHBondContact O-CB 3.43Å; G96-N100 PolarHBondContact O-N 3.01Å; L97-N100 WeakPolarHBondContact O-CB 3.46Å; L97-N100 PolarHBondContact O-N 3.01Å; L97-N100 VanDerWaalsContact O-N 3.17Å; L98-N100 VanDerWaalsContact C-N 3.31Å; L98-N100 PolarHBondContact O-N 2.95Å; N100-V102 VanDerWaalsContact C-N 3.26Å; N100-V102 PolarHBondContact O-N 2.88Å; N100-L103 WeakPolarHBondContact O-CB 3.49Å; N100-L103 PolarHBondContact O-N 3.41Å; N100-G104 PolarHBondContact O-N 3.17Å; N100-N133 PolarHBondContact ND2-ND2 3.17Å; N100-N133 PolarHBondContact ND2-O 3.1Å; N100-N133 PolarHBondContact O-ND2 3.04Å; N100-N133 VanDerWaalsContact OD1-CA 3.26Å; N100-N133 WeakPolarHBondContact OD1-CA 3.29Å; N100-L136 WeakPolarHBondContact OD1-CB 3.4Å; N100-L136 WeakPolarHBondContact OD1-CD1 3.4Å; N100-N137 PolarHBondContact ND2-OD1 2.88Å
101N95.6Very high95.2Very high0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-67.3-26.5175.5-77.6-72.6000112.9L97 L98 L99 L103 G104 I105 A198 Q201 L202L97-N101 PolarHBondContact O-N 2.63Å; L97-N101 VanDerWaalsContact O-N 3.15Å; L97-N101 PolarHBondContact O-ND2 3.35Å; L98-N101 PolarHBondContact O-N 3.28Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.47Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-G104 PolarHBondContact O-N 3Å; N101-I105 WeakPolarHBondContact O-CB 3.25Å; N101-I105 VanDerWaalsContact O-CG1 3.29Å; N101-I105 WeakPolarHBondContact O-CG1 3.39Å; N101-I105 PolarHBondContact O-N 3.03Å; N101-A198 HydrophobicContact CB-CB 4.46Å; N101-A198 WeakPolarHBondContact OD1-CA 3.43Å; N101-A198 WeakPolarHBondContact OD1-CB 3.35Å; N101-A198 PolarHBondContact OD1-O 2.7Å; N101-Q201 WeakPolarHBondContact ND2-CG 3.36Å; N101-Q201 PolarHBondContact ND2-OE1 3.33Å; N101-Q201 PolarHBondContact OD1-OE1 3.29Å; N101-L202 HydrophobicContact CB-CB 4.46Å
102V95.3Very high95.4Very high89 Ų8925.7 Ų25.754%0.53915%0.153SC..Hα-helixtrans-65-41.5173.3-173.80000110.6L99 N100 A106L99-V102 WeakPolarHBondContact O-CB 3.45Å; L99-V102 PolarHBondContact O-N 2.85Å; L99-V102 VanDerWaalsContact O-N 3.12Å; N100-V102 VanDerWaalsContact C-N 3.26Å; N100-V102 PolarHBondContact O-N 2.88Å; V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.89Å
103L96.3Very high95.5Very high63 Ų6331.7 Ų31.733%0.3318%0.179SC..Hα-helixtrans-65.5-41.6172.8-59.6178.1000111.4N100 N101 I105 A106 G107 I129 V132 N133 L136N100-L103 WeakPolarHBondContact O-CB 3.49Å; N100-L103 PolarHBondContact O-N 3.41Å; N101-L103 VanDerWaalsContact C-N 3.35Å; L103-I105 PolarHBondContact O-N 2.88Å; L103-A106 PolarHBondContact O-N 2.82Å; L103-G107 PolarHBondContact O-N 2.94Å; L103-I129 HydrophobicContact CB-CG2 4.32Å; L103-I129 VanDerWaalsContact O-CG2 3.31Å; L103-I129 WeakPolarHBondContact O-CG2 3.31Å; L103-V132 HydrophobicContact CD1-CG1 3.98Å; L103-N133 HydrophobicContact CB-CB 4.13Å; L103-L136 HydrophobicContact CD1-CD1 3.84Å
104G96.1Very high95.5Very high0 Ų030.8 Ų30.80%018%0.176CC..Hα-helixtrans-60-44.7177.100000113N100 N101 A108 N133N100-G104 PolarHBondContact O-N 3.17Å; N101-G104 PolarHBondContact O-N 3Å; G104-A108 VanDerWaalsContact O-CB 3.31Å; G104-A108 WeakPolarHBondContact O-CB 3.48Å; G104-A108 PolarHBondContact O-N 3.3Å; G104-A108 VanDerWaalsContact O-N 3.07Å; G104-N133 WeakPolarHBondContact CA-ND2 3.4Å; G104-N133 PolarHBondContact N-ND2 3.36Å
105I97.2Very high95.4Very high42 Ų4231.6 Ų31.622%0.21518%0.179CC..Hα-helixtrans-65.9-47.4175.7-70164.9000110.7N101 L103 G107 A108 C109 I195 A198 I199 L202N101-I105 WeakPolarHBondContact O-CB 3.25Å; N101-I105 VanDerWaalsContact O-CG1 3.29Å; N101-I105 WeakPolarHBondContact O-CG1 3.39Å; N101-I105 PolarHBondContact O-N 3.03Å; L103-I105 PolarHBondContact O-N 2.88Å; I105-G107 PolarHBondContact O-N 3.4Å; I105-A108 PolarHBondContact O-N 3.42Å; I105-C109 WeakPolarHBondContact O-CB 3.42Å; I105-C109 PolarHBondContact O-N 3.35Å; I105-C109 PolarHBondContact O-SG 3.32Å; I105-I195 HydrophobicContact CB-CG1 4.37Å; I105-I195 HydrophobicContact CG1-CG1 4.01Å; I105-I195 HydrophobicContact CG2-CD1 4.13Å; I105-I195 HydrophobicContact CG2-CG1 4.2Å; I105-A198 HydrophobicContact CG1-CB 3.97Å; I105-I199 HydrophobicContact CD1-CG1 4.06Å; I105-I199 HydrophobicContact CG1-CG1 4.29Å; I105-L202 HydrophobicContact CD1-CD2 4.07Å
106A97.1Very high95.2Very high41 Ų4136.1 Ų36.134%0.33920%0.203SC..Hα-helixtrans-60.1-46.8179.400000112.3V102 L103 C109 L110 I129V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.89Å; L103-A106 PolarHBondContact O-N 2.82Å; A106-C109 PolarHBondContact O-N 3.06Å; A106-L110 VanDerWaalsContact O-CG 3.28Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.94Å; A106-L110 VanDerWaalsContact O-N 3.07Å; A106-I129 HydrophobicContact CB-CG2 4.37Å
107G96.9Very high95Very high0 Ų038.8 Ų38.80%022%0.222CC..Hα-helixtrans-61.2-45.1176.600000112.6L103 I105 L110 M111L103-G107 PolarHBondContact O-N 2.94Å; I105-G107 PolarHBondContact O-N 3.4Å; G107-L110 PolarHBondContact O-N 2.83Å; G107-M111 WeakPolarHBondContact O-CG 3.48Å; G107-M111 PolarHBondContact O-N 3.24Å; G107-M111 VanDerWaalsContact O-N 3.11Å
108A96.6Very high94.7Very high1 Ų144 Ų441%0.00825%0.246CC..Hα-helixtrans-63.4-42.5177.400000112.8G104 I105 M111 G112 A194 I195G104-A108 VanDerWaalsContact O-CB 3.31Å; G104-A108 WeakPolarHBondContact O-CB 3.48Å; G104-A108 PolarHBondContact O-N 3.3Å; G104-A108 VanDerWaalsContact O-N 3.07Å; I105-A108 PolarHBondContact O-N 3.42Å; A108-M111 PolarHBondContact O-N 3.11Å; A108-G112 PolarHBondContact O-N 3.01Å; A108-A194 HydrophobicContact CB-CB 3.99Å; A108-I195 HydrophobicContact CB-CB 3.8Å; A108-I195 HydrophobicContact CB-CG1 4.41Å
109C96.5Very high94.5Very high43 Ų4343 Ų4329%0.29124%0.242SC..Hα-helixtrans-61.5-45.3175.6-72.30000112.2I105 A106 M111 G112 F113I105-C109 WeakPolarHBondContact O-CB 3.42Å; I105-C109 PolarHBondContact O-N 3.35Å; I105-C109 PolarHBondContact O-SG 3.32Å; A106-C109 PolarHBondContact O-N 3.06Å; C109-M111 PolarHBondContact O-N 2.67Å; C109-G112 PolarHBondContact O-N 2.97Å; C109-F113 HydrophobicContact CB-CD2 4.32Å; C109-F113 HydrophobicContact CB-CE2 4.32Å; C109-F113 WeakPolarHBondContact O-CD2 3.3Å; C109-F113 PolarHBondContact O-N 3.13Å
110L96.3Very high94.4Very high42 Ų4240.1 Ų40.122%0.2223%0.226CC..Hα-helixtrans-61.7-42.4178.9-68.9166.1000111.8A106 G107 T114 M122 L125 I129A106-L110 VanDerWaalsContact O-CG 3.28Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.94Å; A106-L110 VanDerWaalsContact O-N 3.07Å; G107-L110 PolarHBondContact O-N 2.83Å; L110-T114 PolarHBondContact O-N 3.44Å; L110-T114 PolarHBondContact O-OG1 2.86Å; L110-M122 HydrophobicContact CB-CG 3.97Å; L110-M122 HydrophobicContact CD2-CG 3.6Å; L110-M122 HydrophobicContact CD2-SD 3.67Å; L110-M122 HydrophobicContact CG-CG 4.38Å; L110-M122 WeakPolarHBondContact O-CE 3.49Å; L110-L125 HydrophobicContact CD1-CD2 4.25Å; L110-L125 HydrophobicContact CD1-CG 4.11Å; L110-I129 HydrophobicContact CD1-CD1 3.68Å
111M95.3Very high94.2Very high0 Ų043.6 Ų43.60%024%0.243CC..Hα-helixtrans-67.2-38.4174.1-62.4-172.5-64.100112.4G107 A108 C109 T114 L123 R127 I130 L191 A194G107-M111 WeakPolarHBondContact O-CG 3.48Å; G107-M111 PolarHBondContact O-N 3.24Å; G107-M111 VanDerWaalsContact O-N 3.11Å; A108-M111 PolarHBondContact O-N 3.11Å; C109-M111 PolarHBondContact O-N 2.67Å; M111-T114 VanDerWaalsContact O-CB 3.28Å; M111-T114 WeakPolarHBondContact O-CB 3.31Å; M111-T114 PolarHBondContact O-N 3.16Å; M111-T114 PolarHBondContact O-OG1 2.7Å; M111-L123 HydrophobicContact CB-CD1 4.4Å; M111-L123 HydrophobicContact CG-CD1 4.09Å; M111-R127 HydrophobicContact SD-CG 4.02Å; M111-I130 HydrophobicContact CE-CB 4.16Å; M111-I130 HydrophobicContact CE-CG1 4.2Å; M111-I130 HydrophobicContact CE-CG2 3.89Å; M111-I130 HydrophobicContact SD-CG2 4.14Å; M111-L191 HydrophobicContact CB-CB 3.71Å; M111-L191 HydrophobicContact CB-CD1 4.07Å; M111-L191 HydrophobicContact SD-CB 4.44Å; M111-L191 HydrophobicContact SD-CD1 4.49Å; M111-A194 HydrophobicContact CE-CB 4.49Å
112G94.5Very high94.2Very high19 Ų1945.5 Ų45.520%0.19625%0.252CS..Hα-helixtrans-66.5-41.417900000114.1A108 C109 P188A108-G112 PolarHBondContact O-N 3.01Å; C109-G112 PolarHBondContact O-N 2.97Å; G112-P188 WeakPolarHBondContact CA-O 3.34Å; G112-P188 WeakPolarHBondContact O-CB 3.49Å
113F94.3Very high94.2Very high126 Ų12641.3 Ų41.355%0.55323%0.226SC*.Hα-helixtrans-85.7-3.8179.6-65.8-62.3000114.2C109 K115 V116 S117 M122C109-F113 HydrophobicContact CB-CD2 4.32Å; C109-F113 HydrophobicContact CB-CE2 4.32Å; C109-F113 WeakPolarHBondContact O-CD2 3.3Å; C109-F113 PolarHBondContact O-N 3.13Å; F113-K115 VanDerWaalsContact C-N 3.28Å; F113-K115 PolarHBondContact O-N 3.33Å; F113-K115 VanDerWaalsContact O-N 3.16Å; F113-V116 HydrophobicContact CD1-CG2 4.46Å; F113-V116 WeakPolarHBondContact O-CB 3.02Å; F113-V116 PolarHBondContact O-N 3.34Å; F113-S117 PolarHBondContact O-N 2.97Å; F113-S117 PolarHBondContact O-OG 2.87Å; F113-M122 HydrophobicContact CB-CE 3.58Å; F113-M122 WeakPolarHBondContact O-CE 3.41Å
114T93.9Very high94.2Very high0 Ų039.8 Ų39.80%022%0.217CC..THydrogen-bonded Turntrans-46.1-45.7-179.4-75.80000113.5F44 L110 M111 S117 H118 S119 L123 W187F44-T114 HydrophobicContact CD1-CG2 4.46Å; F44-T114 HydrophobicContact CE1-CG2 3.52Å; F44-T114 HydrophobicContact CZ-CG2 3.8Å; F44-T114 WeakPolarHBondContact CZ-O 3.07Å; L110-T114 PolarHBondContact O-N 3.44Å; L110-T114 PolarHBondContact O-OG1 2.86Å; M111-T114 VanDerWaalsContact O-CB 3.28Å; M111-T114 WeakPolarHBondContact O-CB 3.31Å; M111-T114 PolarHBondContact O-N 3.16Å; M111-T114 PolarHBondContact O-OG1 2.7Å; T114-S117 PolarHBondContact O-OG 3.01Å; T114-H118 PolarHBondContact O-N 3.39Å; T114-S119 WeakPolarHBondContact CG2-O 3.12Å; T114-S119 PolarHBondContact O-N 3Å; T114-L123 HydrophobicContact CG2-CB 3.79Å; T114-L123 PolarHBondContact OG1-N 2.86Å; T114-W187 HydrophobicContact CG2-CH2 3.73Å; T114-W187 HydrophobicContact CG2-CZ3 4.29Å
115K90.3Very high94.2Very high54 Ų5444 Ų4424%0.23524%0.239CC..THydrogen-bonded Turntrans-71.3-40.8179.5-169.6179-179.3-174.60112.2F44 F113 S117 H118 N184 E185 W187 P188F44-K115 HydrophobicContact CD2-CG 4.17Å; F44-K115 HydrophobicContact CE2-CB 4.2Å; F44-K115 HydrophobicContact CE2-CG 4.02Å; F113-K115 VanDerWaalsContact C-N 3.28Å; F113-K115 PolarHBondContact O-N 3.33Å; F113-K115 VanDerWaalsContact O-N 3.16Å; K115-S117 VanDerWaalsContact C-N 3.25Å; K115-S117 PolarHBondContact O-N 3.02Å; K115-H118 PolarHBondContact O-N 3.19Å; K115-N184 PolarHBondContact NZ-O 3.45Å; K115-E185 IonicContact NZ-OE1 2.86Å; K115-E185 PolarHBondContact NZ-OE1 2.99Å; K115-E185 IonicContact NZ-OE2 3.88Å; K115-E185 PolarHBondContact NZ-OE2 3.45Å; K115-W187 HydrophobicContact CB-CZ2 4.35Å; K115-P188 HydrophobicContact CB-CB 4.3Å; K115-P188 HydrophobicContact CB-CG 3.65Å; K115-P188 HydrophobicContact CD-CG 3.93Å; K115-P188 HydrophobicContact CG-CG 4.41Å
116V90.3Very high94.2Very high114 Ų11442 Ų4269%0.69123%0.229SC*.THydrogen-bonded Turntrans-64.3-30.6179-175.70000111.8F113F113-V116 HydrophobicContact CD1-CG2 4.46Å; F113-V116 WeakPolarHBondContact O-CB 3.02Å; F113-V116 PolarHBondContact O-N 3.34Å
117S89.4Confident94.2Very high56 Ų5640.2 Ų40.239%0.39221%0.213SC..THydrogen-bonded Turntrans-92.23.7178.266.40000114.8F113 T114 K115 S119 M122F113-S117 PolarHBondContact O-N 2.97Å; F113-S117 PolarHBondContact O-OG 2.87Å; T114-S117 PolarHBondContact O-OG 3.01Å; K115-S117 VanDerWaalsContact C-N 3.25Å; K115-S117 PolarHBondContact O-N 3.02Å; S117-S119 PolarHBondContact O-N 3.01Å; S117-S119 VanDerWaalsContact O-N 3.16Å; S117-M122 WeakPolarHBondContact OG-CE 3.38Å
118H89.6Confident94.3Very high109 Ų10943 Ų4351%0.50523%0.226SC..THydrogen-bonded Turntrans46.945.3-177.3-66.9-116.5000112.9V48 R52 T114 K115V48-H118 VanDerWaalsContact CG1-O 3.27Å; V48-H118 WeakPolarHBondContact CG1-O 3.34Å; V48-H118 HydrophobicContact CG2-CB 4.46Å; R52-H118 PolarHBondContact NH2-O 3.35Å; T114-H118 PolarHBondContact O-N 3.39Å; K115-H118 PolarHBondContact O-N 3.19Å
119S92.2Very high94.3Very high21 Ų2144.6 Ų44.615%0.14723%0.234CC..  trans-144.4110.8-173.4171.30000113.3T114 S117 E121 M122T114-S119 WeakPolarHBondContact CG2-O 3.12Å; T114-S119 PolarHBondContact O-N 3Å; S117-S119 PolarHBondContact O-N 3.01Å; S117-S119 VanDerWaalsContact O-N 3.16Å; S119-E121 WeakPolarHBondContact CB-OE2 3.14Å; S119-E121 PolarHBondContact O-N 3.17Å; S119-E121 PolarHBondContact OG-N 2.9Å; S119-E121 PolarHBondContact OG-OE2 2.88Å; S119-M122 PolarHBondContact O-N 3.32Å; S119-M122 PolarHBondContact OG-N 3.4Å
120Y91.5Very high94.4Very high20 Ų2042.6 Ų42.68%0.07822%0.22CC..Hα-helixtrans-71.2-19168.555-105000112.5M45 V48 R52 M122 L123 F124M45-Y120 HydrophobicContact CG-CG 4.4Å; V48-Y120 HydrophobicContact CB-CD1 4.22Å; V48-Y120 HydrophobicContact CG1-CD1 3.76Å; V48-Y120 HydrophobicContact CG1-CE1 3.88Å; R52-Y120 PolarHBondContact NH1-OH 3.47Å; Y120-M122 VanDerWaalsContact C-N 3.27Å; Y120-M122 PolarHBondContact O-N 2.92Å; Y120-L123 WeakPolarHBondContact O-CB 3.45Å; Y120-L123 PolarHBondContact O-N 3.22Å; Y120-F124 AromaticContact CD2-CE2 3.84Å; Y120-F124 HydrophobicContact CD2-CE2 3.84Å; Y120-F124 AromaticContact CD2-CZ 3.91Å; Y120-F124 HydrophobicContact CD2-CZ 3.91Å; Y120-F124 HydrophobicContact CE2-CE2 4.38Å; Y120-F124 WeakPolarHBondContact O-CD1 3.29Å; Y120-F124 WeakPolarHBondContact O-CG 3.35Å; Y120-F124 PolarHBondContact O-N 3.4Å; Y120-F124 VanDerWaalsContact O-N 3.15Å
121E93.8Very high94.4Very high76 Ų7640.6 Ų40.636%0.35521%0.209SC..Hα-helixtrans-63.3-35.8172-56.883.6177.500111.6R52 S119 L123 F124 L125R52-E121 IonicContact CZ-OE1 3.16Å; R52-E121 IonicContact CZ-OE2 2.74Å; R52-E121 IonicContact NH1-OE1 2.71Å; R52-E121 PolarHBondContact NH1-OE1 3.26Å; R52-E121 IonicContact NH1-OE2 3.93Å; R52-E121 PolarHBondContact NH1-OE2 3.4Å; R52-E121 IonicContact NH2-OE1 2.73Å; R52-E121 IonicContact NH2-OE2 3.22Å; R52-E121 PolarHBondContact NH2-OE2 2.77Å; S119-E121 WeakPolarHBondContact CB-OE2 3.14Å; S119-E121 PolarHBondContact O-N 3.17Å; S119-E121 PolarHBondContact OG-N 2.9Å; S119-E121 PolarHBondContact OG-OE2 2.88Å; E121-L123 VanDerWaalsContact C-N 3.29Å; E121-L123 PolarHBondContact O-N 3.2Å; E121-F124 PolarHBondContact O-N 3.14Å; E121-L125 PolarHBondContact O-N 2.99Å
122M95Very high94.5Very high40 Ų4041.7 Ų41.720%0.19722%0.216CC..Hα-helixtrans-68.8-29.6176.4-159.3161.977.700112.3L110 F113 S117 S119 Y120 G126L110-M122 HydrophobicContact CB-CG 3.97Å; L110-M122 HydrophobicContact CD2-CG 3.6Å; L110-M122 HydrophobicContact CD2-SD 3.67Å; L110-M122 HydrophobicContact CG-CG 4.38Å; L110-M122 WeakPolarHBondContact O-CE 3.49Å; F113-M122 HydrophobicContact CB-CE 3.58Å; F113-M122 WeakPolarHBondContact O-CE 3.41Å; S117-M122 WeakPolarHBondContact OG-CE 3.38Å; S119-M122 PolarHBondContact O-N 3.32Å; S119-M122 PolarHBondContact OG-N 3.4Å; Y120-M122 VanDerWaalsContact C-N 3.27Å; Y120-M122 PolarHBondContact O-N 2.92Å; M122-G126 PolarHBondContact O-N 3.01Å
123L95.3Very high94.6Very high1 Ų140.8 Ų40.81%0.00521%0.207CC..Hα-helixtrans-64.4-45.5169.3-179.959.9000111.2I41 M45 M111 T114 Y120 E121 G126 R127 L191I41-L123 HydrophobicContact CG2-CD2 3.79Å; M45-L123 HydrophobicContact CE-CD2 3.9Å; M111-L123 HydrophobicContact CB-CD1 4.4Å; M111-L123 HydrophobicContact CG-CD1 4.09Å; T114-L123 HydrophobicContact CG2-CB 3.79Å; T114-L123 PolarHBondContact OG1-N 2.86Å; Y120-L123 WeakPolarHBondContact O-CB 3.45Å; Y120-L123 PolarHBondContact O-N 3.22Å; E121-L123 VanDerWaalsContact C-N 3.29Å; E121-L123 PolarHBondContact O-N 3.2Å; L123-G126 PolarHBondContact O-N 3.25Å; L123-R127 HydrophobicContact CD1-CG 4.18Å; L123-R127 HydrophobicContact CG-CG 4.46Å; L123-R127 VanDerWaalsContact O-CB 3.28Å; L123-R127 WeakPolarHBondContact O-CB 3.43Å; L123-R127 VanDerWaalsContact O-CG 3.26Å; L123-R127 WeakPolarHBondContact O-CG 3.43Å; L123-R127 PolarHBondContact O-N 3.01Å; L123-L191 HydrophobicContact CD1-CD1 3.48Å; L123-L191 VanDerWaalsContact CD1-CD1 3.48Å
124F96.3Very high94.6Very high30 Ų3034.8 Ų34.813%0.13218%0.18CC..Hα-helixtrans-62.4-44.3178-56.7-20.1000111.5M45 L65 A69 I72 Y120 E121 R127 F128M45-F124 HydrophobicContact CE-CE1 3.82Å; M45-F124 HydrophobicContact CE-CZ 4.39Å; L65-F124 HydrophobicContact CB-CZ 4.39Å; L65-F124 HydrophobicContact CD2-CE2 4.38Å; L65-F124 HydrophobicContact CD2-CZ 4.07Å; A69-F124 HydrophobicContact CB-CD1 3.94Å; A69-F124 HydrophobicContact CB-CE1 3.84Å; I72-F124 HydrophobicContact CD1-CB 4.32Å; Y120-F124 AromaticContact CD2-CE2 3.84Å; Y120-F124 HydrophobicContact CD2-CE2 3.84Å; Y120-F124 AromaticContact CD2-CZ 3.91Å; Y120-F124 HydrophobicContact CD2-CZ 3.91Å; Y120-F124 HydrophobicContact CE2-CE2 4.38Å; Y120-F124 WeakPolarHBondContact O-CD1 3.29Å; Y120-F124 WeakPolarHBondContact O-CG 3.35Å; Y120-F124 PolarHBondContact O-N 3.4Å; Y120-F124 VanDerWaalsContact O-N 3.15Å; E121-F124 PolarHBondContact O-N 3.14Å; F124-R127 PolarHBondContact O-N 3.22Å; F124-F128 WeakPolarHBondContact O-CB 3.4Å; F124-F128 PolarHBondContact O-N 2.93Å
125L97.1Very high94.6Very high88 Ų8834.8 Ų34.846%0.46118%0.18SC..Hα-helixtrans-65.9-41.7177.2-17661.7000112L110 E121 F128 I129L110-L125 HydrophobicContact CD1-CD2 4.25Å; L110-L125 HydrophobicContact CD1-CG 4.11Å; E121-L125 PolarHBondContact O-N 2.99Å; L125-F128 PolarHBondContact O-N 3.12Å; L125-I129 HydrophobicContact CD1-CD1 3.95Å; L125-I129 HydrophobicContact CD1-CG1 4.38Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 3.39Å
126G96.9Very high94.8Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-60.8-44.6173.400000112.4M122 L123 I129 I130M122-G126 PolarHBondContact O-N 3.01Å; L123-G126 PolarHBondContact O-N 3.25Å; G126-I129 PolarHBondContact O-N 3.14Å; G126-I130 WeakPolarHBondContact O-CB 3.37Å; G126-I130 WeakPolarHBondContact O-CG2 3.37Å; G126-I130 PolarHBondContact O-N 3.39Å
127R96.9Very high95Very high4 Ų426.9 Ų26.92%0.01514%0.137CC..Hα-helixtrans-62.3-39.8175.2-78.5-77.1171-178.8-0.5112.9N30 A69 I72 F73 M111 L123 F124 I130 G131N30-R127 PolarHBondContact O-NH1 2.85Å; A69-R127 WeakPolarHBondContact O-CG 3.33Å; I72-R127 HydrophobicContact CG2-CB 3.59Å; F73-R127 WeakPolarHBondContact CA-O 3.36Å; M111-R127 HydrophobicContact SD-CG 4.02Å; L123-R127 HydrophobicContact CD1-CG 4.18Å; L123-R127 HydrophobicContact CG-CG 4.46Å; L123-R127 VanDerWaalsContact O-CB 3.28Å; L123-R127 WeakPolarHBondContact O-CB 3.43Å; L123-R127 VanDerWaalsContact O-CG 3.26Å; L123-R127 WeakPolarHBondContact O-CG 3.43Å; L123-R127 PolarHBondContact O-N 3.01Å; F124-R127 PolarHBondContact O-N 3.22Å; R127-I130 WeakPolarHBondContact O-CG2 3.48Å; R127-G131 PolarHBondContact O-N 3.24Å
128F97.8Very high95Very high60 Ų6025.3 Ų25.326%0.26313%0.125SC..Hα-helixtrans-63.4-51.1173.6177.4-109.7000111.7I72 I75 L79 F124 L125 G131 V132I72-F128 HydrophobicContact CD1-CB 4.03Å; I72-F128 HydrophobicContact CG1-CB 3.99Å; I72-F128 HydrophobicContact CG1-CD2 4.13Å; I72-F128 HydrophobicContact CG1-CG 4.47Å; I75-F128 HydrophobicContact CG2-CE2 4.26Å; L79-F128 HydrophobicContact CD1-CE2 3.78Å; L79-F128 HydrophobicContact CD1-CZ 3.63Å; F124-F128 WeakPolarHBondContact O-CB 3.4Å; F124-F128 PolarHBondContact O-N 2.93Å; L125-F128 PolarHBondContact O-N 3.12Å; F128-G131 WeakPolarHBondContact O-CA 3.28Å; F128-G131 PolarHBondContact O-N 3.27Å; F128-G131 VanDerWaalsContact O-N 3.13Å; F128-V132 HydrophobicContact CE1-CG2 4.41Å; F128-V132 HydrophobicContact CZ-CG2 4.3Å; F128-V132 PolarHBondContact O-N 3.33Å
129I97.9Very high94.9Very high34 Ų3421.3 Ų21.317%0.17411%0.109CC..Hα-helixtrans-67.1-42.4-176.2-69.3170.3000111.6L103 A106 L110 L125 G126 G131 V132 N133L103-I129 HydrophobicContact CB-CG2 4.32Å; L103-I129 VanDerWaalsContact O-CG2 3.31Å; L103-I129 WeakPolarHBondContact O-CG2 3.31Å; A106-I129 HydrophobicContact CB-CG2 4.37Å; L110-I129 HydrophobicContact CD1-CD1 3.68Å; L125-I129 HydrophobicContact CD1-CD1 3.95Å; L125-I129 HydrophobicContact CD1-CG1 4.38Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 3.39Å; G126-I129 PolarHBondContact O-N 3.14Å; I129-G131 PolarHBondContact O-N 3.19Å; I129-V132 PolarHBondContact O-N 2.97Å; I129-N133 PolarHBondContact O-N 3.16Å
130I97.3Very high94.9Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-67.5-28.7174.2-157.959.7000111.3N30 F73 M111 G126 R127 N133 C134N30-I130 HydrophobicContact CB-CG1 4.36Å; N30-I130 VanDerWaalsContact CG-CG1 3.46Å; N30-I130 WeakPolarHBondContact ND2-CG1 3.19Å; N30-I130 WeakPolarHBondContact OD1-CG1 3.32Å; F73-I130 HydrophobicContact CD2-CG2 3.93Å; F73-I130 HydrophobicContact CE2-CG2 4.15Å; M111-I130 HydrophobicContact CE-CB 4.16Å; M111-I130 HydrophobicContact CE-CG1 4.2Å; M111-I130 HydrophobicContact CE-CG2 3.89Å; M111-I130 HydrophobicContact SD-CG2 4.14Å; G126-I130 WeakPolarHBondContact O-CB 3.37Å; G126-I130 WeakPolarHBondContact O-CG2 3.37Å; G126-I130 PolarHBondContact O-N 3.39Å; R127-I130 WeakPolarHBondContact O-CG2 3.48Å; I130-N133 HydrophobicContact CD1-CB 4.27Å; I130-N133 PolarHBondContact O-N 3.46Å; I130-C134 WeakPolarHBondContact O-CB 3.41Å; I130-C134 PolarHBondContact O-N 3.03Å; I130-C134 PolarHBondContact O-SG 3.18Å
131G96.9Very high95Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-59.2-50.6167.500000112.4F73 G76 G77 R127 F128 I129 N133 C134 G135F73-G131 VanDerWaalsContact CD2-CA 3.4Å; F73-G131 WeakPolarHBondContact O-CA 3.17Å; G76-G131 CarbonylContact C-O 3.52Å; G77-G131 VanDerWaalsContact CA-O 3.25Å; G77-G131 WeakPolarHBondContact CA-O 3.47Å; G77-G131 VanDerWaalsContact N-C 3.33Å; G77-G131 PolarHBondContact N-O 3.33Å; R127-G131 PolarHBondContact O-N 3.24Å; F128-G131 WeakPolarHBondContact O-CA 3.28Å; F128-G131 PolarHBondContact O-N 3.27Å; F128-G131 VanDerWaalsContact O-N 3.13Å; I129-G131 PolarHBondContact O-N 3.19Å; G131-N133 VanDerWaalsContact C-N 3.29Å; G131-N133 PolarHBondContact O-N 2.95Å; G131-C134 PolarHBondContact O-N 3.08Å; G131-C134 VanDerWaalsContact O-N 3.16Å; G131-G135 PolarHBondContact O-N 3.37Å
132V97.1Very high94.7Very high23 Ų2318 Ų1814%0.13910%0.096CC..Hα-helixtrans-58.5-42.2175.4-179.60000111.1G76 L103 F128 I129 G135 L136G76-V132 VanDerWaalsContact O-CA 3.29Å; G76-V132 WeakPolarHBondContact O-CA 3.46Å; L103-V132 HydrophobicContact CD1-CG1 3.98Å; F128-V132 HydrophobicContact CE1-CG2 4.41Å; F128-V132 HydrophobicContact CZ-CG2 4.3Å; F128-V132 PolarHBondContact O-N 3.33Å; I129-V132 PolarHBondContact O-N 2.97Å; V132-G135 PolarHBondContact O-N 3.25Å; V132-L136 HydrophobicContact CG1-CD1 4.14Å; V132-L136 WeakPolarHBondContact O-CB 3.16Å; V132-L136 PolarHBondContact O-N 3.49Å
133N97.1Very high94.4Very high0 Ų018.5 Ų18.50%010%0.099CC..Hα-helixtrans-59.4-47.1174.5159.9-82.8000112.6Q26 N100 L103 G104 I129 I130 G131 L136 N137Q26-N133 PolarHBondContact OE1-ND2 2.83Å; Q26-N133 PolarHBondContact OE1-OD1 3.45Å; Q26-N133 VanDerWaalsContact OE1-OD1 3.09Å; N100-N133 PolarHBondContact ND2-ND2 3.17Å; N100-N133 PolarHBondContact ND2-O 3.1Å; N100-N133 PolarHBondContact O-ND2 3.04Å; N100-N133 VanDerWaalsContact OD1-CA 3.26Å; N100-N133 WeakPolarHBondContact OD1-CA 3.29Å; L103-N133 HydrophobicContact CB-CB 4.13Å; G104-N133 WeakPolarHBondContact CA-ND2 3.4Å; G104-N133 PolarHBondContact N-ND2 3.36Å; I129-N133 PolarHBondContact O-N 3.16Å; I130-N133 HydrophobicContact CD1-CB 4.27Å; I130-N133 PolarHBondContact O-N 3.46Å; G131-N133 VanDerWaalsContact C-N 3.29Å; G131-N133 PolarHBondContact O-N 2.95Å; N133-L136 PolarHBondContact O-N 3.45Å; N133-N137 PolarHBondContact O-N 2.95Å; N133-N137 PolarHBondContact O-ND2 3.31Å; N133-N137 PolarHBondContact OD1-ND2 3.29Å
134C95.3Very high94.3Very high0 Ų018.4 Ų18.40%010%0.098CC..Hα-helixtrans-66.5-41.4179.6-67.60000111.6F27 F73 I130 G131 N137 T138F27-C134 HydrophobicContact CB-CB 4.14Å; F27-C134 HydrophobicContact CD2-CB 3.87Å; F27-C134 HydrophobicContact CG-CB 4.34Å; F73-C134 HydrophobicContact CE2-CB 3.92Å; F73-C134 HydrophobicContact CZ-CB 3.84Å; I130-C134 WeakPolarHBondContact O-CB 3.41Å; I130-C134 PolarHBondContact O-N 3.03Å; I130-C134 PolarHBondContact O-SG 3.18Å; G131-C134 PolarHBondContact O-N 3.08Å; G131-C134 VanDerWaalsContact O-N 3.16Å; C134-N137 WeakPolarHBondContact O-CB 3.28Å; C134-N137 PolarHBondContact O-N 3.31Å; C134-T138 WeakPolarHBondContact O-CG2 3.33Å; C134-T138 PolarHBondContact O-N 3.23Å
135G93.4Very high94Very high0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-56-51.6172.900000112.2G77 G80 G81 G131 V132 N137 T138G77-G135 WeakPolarHBondContact O-CA 3.44Å; G80-G135 VanDerWaalsContact C-C 3.45Å; G81-G135 WeakPolarHBondContact CA-O 3.37Å; G131-G135 PolarHBondContact O-N 3.37Å; V132-G135 PolarHBondContact O-N 3.25Å; G135-N137 VanDerWaalsContact C-N 3.3Å; G135-N137 PolarHBondContact O-N 3.19Å; G135-T138 PolarHBondContact O-N 3.1Å; G135-T138 VanDerWaalsContact O-N 3.17Å; G135-T138 PolarHBondContact O-OG1 3.42Å
136L93.9Very high93.5Very high3 Ų315.2 Ų15.22%0.0169%0.087CC..Hα-helixtrans-58.4-40.9175.5-79168000111.9G80 M87 N100 L103 V132 N133 T138 S139 L140G80-L136 WeakPolarHBondContact O-CD2 3.33Å; M87-L136 HydrophobicContact CB-CD2 4.15Å; M87-L136 HydrophobicContact CE-CD1 4.46Å; M87-L136 HydrophobicContact CE-CD2 4.47Å; M87-L136 HydrophobicContact CG-CD2 4.34Å; N100-L136 WeakPolarHBondContact OD1-CB 3.4Å; N100-L136 WeakPolarHBondContact OD1-CD1 3.4Å; L103-L136 HydrophobicContact CD1-CD1 3.84Å; V132-L136 HydrophobicContact CG1-CD1 4.14Å; V132-L136 WeakPolarHBondContact O-CB 3.16Å; V132-L136 PolarHBondContact O-N 3.49Å; N133-L136 PolarHBondContact O-N 3.45Å; L136-T138 PolarHBondContact O-N 2.91Å; L136-S139 PolarHBondContact O-N 3.17Å; L136-L140 HydrophobicContact CB-CD1 4.16Å; L136-L140 HydrophobicContact CD2-CD1 4.37Å; L136-L140 WeakPolarHBondContact O-CB 3.16Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.38Å; L136-L140 PolarHBondContact O-N 3.47Å
137N94.3Very high93.1Very high0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-62-40.3176.4-77.2-27.1000112.5G23 N100 N133 C134 G135 S139 L140 V141G23-N137 VanDerWaalsContact CA-ND2 3.31Å; G23-N137 WeakPolarHBondContact CA-ND2 3.48Å; G23-N137 PolarHBondContact O-ND2 3.41Å; G23-N137 VanDerWaalsContact O-ND2 3.09Å; N100-N137 PolarHBondContact ND2-OD1 2.88Å; N133-N137 PolarHBondContact O-N 2.95Å; N133-N137 PolarHBondContact O-ND2 3.31Å; N133-N137 PolarHBondContact OD1-ND2 3.29Å; C134-N137 WeakPolarHBondContact O-CB 3.28Å; C134-N137 PolarHBondContact O-N 3.31Å; G135-N137 VanDerWaalsContact C-N 3.3Å; G135-N137 PolarHBondContact O-N 3.19Å; N137-S139 PolarHBondContact O-N 2.96Å; N137-S139 VanDerWaalsContact O-N 3.13Å; N137-L140 PolarHBondContact O-N 3.13Å; N137-V141 HydrophobicContact CB-CG2 4.16Å; N137-V141 WeakPolarHBondContact O-CB 3.09Å; N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 3.02Å
138T89.3Confident92.8Very high23 Ų2315.8 Ų15.814%0.1419%0.09CC..Hα-helixtrans-61.4-20.7177.4630000114.1M24 F27 C134 G135 L136 P142 W415M24-T138 HydrophobicContact CE-CG2 4.4Å; M24-T138 HydrophobicContact SD-CG2 4.47Å; F27-T138 HydrophobicContact CD1-CG2 3.73Å; F27-T138 HydrophobicContact CE1-CG2 3.76Å; F27-T138 HydrophobicContact CG-CG2 4.25Å; F27-T138 HydrophobicContact CZ-CG2 4.29Å; C134-T138 WeakPolarHBondContact O-CG2 3.33Å; C134-T138 PolarHBondContact O-N 3.23Å; G135-T138 PolarHBondContact O-N 3.1Å; G135-T138 VanDerWaalsContact O-N 3.17Å; G135-T138 PolarHBondContact O-OG1 3.42Å; L136-T138 PolarHBondContact O-N 2.91Å; T138-P142 WeakPolarHBondContact O-CD 3.42Å; T138-P142 WeakPolarHBondContact O-CG 3.43Å; T138-W415 HydrophobicContact CG2-CZ2 4.09Å
139S87.9Confident92.3Very high24 Ų2413 Ų1317%0.1688%0.077CC..Hα-helixtrans-100.2-43.7174.9-53.80000113.3G81 L136 N137 M143G81-S139 PolarHBondContact O-OG 3.48Å; L136-S139 PolarHBondContact O-N 3.17Å; N137-S139 PolarHBondContact O-N 2.96Å; N137-S139 VanDerWaalsContact O-N 3.13Å; S139-M143 WeakPolarHBondContact O-CB 3.36Å
140L92Very high91.6Very high0 Ų012 Ų120%07%0.073CC..Hα-helixtrans-75.5-40.7-173.3-68.9171.4000113M87 A88 L97 L136 N137 M143 Y144M87-L140 HydrophobicContact CG-CD1 4.28Å; A88-L140 HydrophobicContact CB-CD2 3.73Å; L97-L140 HydrophobicContact CD2-CB 3.59Å; L97-L140 HydrophobicContact CD2-CD1 4.18Å; L97-L140 HydrophobicContact CG-CB 3.95Å; L97-L140 HydrophobicContact CG-CD1 4.43Å; L136-L140 HydrophobicContact CB-CD1 4.16Å; L136-L140 HydrophobicContact CD2-CD1 4.37Å; L136-L140 WeakPolarHBondContact O-CB 3.16Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.38Å; L136-L140 PolarHBondContact O-N 3.47Å; N137-L140 PolarHBondContact O-N 3.13Å; L140-M143 PolarHBondContact O-N 3.38Å; L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 3.48Å
141V93.4Very high90.6Very high0 Ų016.8 Ų16.80%010%0.098CC..Hα-helixtrans-68.7-47.2-174.9-178.70000111.8A20 M24 L97 N137 M143 Y144 I145 N161A20-V141 HydrophobicContact CB-CG1 4.21Å; A20-V141 VanDerWaalsContact O-CG1 3.31Å; A20-V141 WeakPolarHBondContact O-CG1 3.5Å; A20-V141 WeakPolarHBondContact O-CG2 3.36Å; M24-V141 HydrophobicContact CG-CB 3.85Å; M24-V141 HydrophobicContact CG-CG1 3.72Å; M24-V141 HydrophobicContact CG-CG2 4.26Å; M24-V141 HydrophobicContact SD-CB 4.3Å; L97-V141 HydrophobicContact CD2-CG2 3.64Å; N137-V141 HydrophobicContact CB-CG2 4.16Å; N137-V141 WeakPolarHBondContact O-CB 3.09Å; N137-V141 WeakPolarHBondContact O-CG2 3.39Å; N137-V141 PolarHBondContact O-N 3.02Å; V141-M143 VanDerWaalsContact C-N 3.31Å; V141-M143 PolarHBondContact O-N 2.94Å; V141-Y144 PolarHBondContact O-N 3.09Å; V141-I145 HydrophobicContact CG1-CD1 3.52Å; V141-I145 HydrophobicContact CG1-CG1 4.37Å; V141-I145 WeakPolarHBondContact O-CB 3.49Å; V141-I145 WeakPolarHBondContact O-CD1 3.48Å; V141-I145 VanDerWaalsContact O-CG1 3.28Å; V141-I145 WeakPolarHBondContact O-CG1 3.38Å; V141-I145 PolarHBondContact O-N 3.02Å; V141-I145 VanDerWaalsContact O-N 3.09Å; V141-N161 WeakPolarHBondContact CG1-OD1 3.25Å
142P88.7Confident89.5Confident48 Ų4821.9 Ų21.931%0.31213%0.125SC..Hα-helixtrans-62-37.4175.4-23.235.4000113.2T138 S146T138-P142 WeakPolarHBondContact O-CD 3.42Å; T138-P142 WeakPolarHBondContact O-CG 3.43Å; P142-S146 WeakPolarHBondContact O-CB 3.48Å; P142-S146 PolarHBondContact O-N 3.29Å; P142-S146 PolarHBondContact O-OG 3.47Å
143M88.2Confident88.5Confident50 Ų5021.2 Ų21.225%0.24612%0.121CC..Hα-helixtrans-66.4-49.2178-173.8-177.2-63.200111.8A88 R93 S139 L140 V141 I145 S146 E147A88-M143 HydrophobicContact CB-CE 4.2Å; A88-M143 HydrophobicContact CB-SD 3.53Å; A88-M143 VanDerWaalsContact CB-SD 3.53Å; R93-M143 HydrophobicContact CG-CG 3.99Å; R93-M143 HydrophobicContact CG-SD 3.9Å; R93-M143 VanDerWaalsContact CZ-SD 3.5Å; S139-M143 WeakPolarHBondContact O-CB 3.36Å; L140-M143 PolarHBondContact O-N 3.38Å; V141-M143 VanDerWaalsContact C-N 3.31Å; V141-M143 PolarHBondContact O-N 2.94Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 2.77Å; M143-S146 PolarHBondContact O-N 2.78Å; M143-S146 PolarHBondContact O-OG 3.15Å; M143-S146 VanDerWaalsContact O-OG 3.07Å; M143-E147 WeakPolarHBondContact O-CB 3.14Å; M143-E147 VanDerWaalsContact O-CG 3.24Å; M143-E147 WeakPolarHBondContact O-CG 3.38Å; M143-E147 PolarHBondContact O-N 2.93Å; M143-E147 VanDerWaalsContact O-N 3.13Å
144Y92.4Very high87.3Confident0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-58.6-46.3177.7-178.5-106.2000111.7A20 R93 K94 L97 L140 V141 E147 I148 C208 P209A20-Y144 HydrophobicContact CB-CD1 3.51Å; A20-Y144 HydrophobicContact CB-CE1 3.94Å; R93-Y144 HydrophobicContact CB-CD2 3.76Å; R93-Y144 HydrophobicContact CB-CG 4.39Å; K94-Y144 HydrophobicContact CB-CE2 4.1Å; L97-Y144 HydrophobicContact CD1-CD1 4.49Å; L97-Y144 HydrophobicContact CD1-CG 4.28Å; L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 3.48Å; V141-Y144 PolarHBondContact O-N 3.09Å; Y144-E147 PolarHBondContact O-N 3.49Å; Y144-I148 HydrophobicContact CD1-CD1 4.21Å; Y144-I148 HydrophobicContact CD2-CG2 4.29Å; Y144-I148 HydrophobicContact CE1-CD1 3.78Å; Y144-I148 HydrophobicContact CE1-CG2 4.24Å; Y144-I148 HydrophobicContact CE2-CG2 3.89Å; Y144-I148 WeakPolarHBondContact O-CG1 3.5Å; Y144-I148 WeakPolarHBondContact O-CG2 3.29Å; Y144-I148 PolarHBondContact O-N 3.3Å; Y144-I148 VanDerWaalsContact O-N 3.1Å; Y144-C208 WeakPolarHBondContact OH-CB 3.27Å; Y144-P209 WeakPolarHBondContact CE2-O 3.48Å; Y144-P209 PolarHBondContact OH-O 3.45Å
145I90.8Very high85.8Confident2 Ų227 Ų271%0.0117%0.167CC..Hα-helixtrans-66.7-40.5-177-68.5168.9000111.8I17 A20 V21 V141 M143 E147 A149 L157 N161I17-I145 HydrophobicContact CG1-CG2 4.43Å; A20-I145 HydrophobicContact CB-CD1 4.27Å; A20-I145 HydrophobicContact CB-CG1 4.06Å; V21-I145 HydrophobicContact CG2-CD1 3.52Å; V141-I145 HydrophobicContact CG1-CD1 3.52Å; V141-I145 HydrophobicContact CG1-CG1 4.37Å; V141-I145 WeakPolarHBondContact O-CB 3.49Å; V141-I145 WeakPolarHBondContact O-CD1 3.48Å; V141-I145 VanDerWaalsContact O-CG1 3.28Å; V141-I145 WeakPolarHBondContact O-CG1 3.38Å; V141-I145 PolarHBondContact O-N 3.02Å; V141-I145 VanDerWaalsContact O-N 3.09Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 2.77Å; I145-E147 VanDerWaalsContact C-N 3.33Å; I145-A149 VanDerWaalsContact O-CB 3.25Å; I145-A149 WeakPolarHBondContact O-CB 3.36Å; I145-A149 PolarHBondContact O-N 2.87Å; I145-L157 HydrophobicContact CG2-CB 3.65Å; I145-L157 HydrophobicContact CG2-CD1 3.91Å; I145-L157 HydrophobicContact CG2-CD2 4.18Å; I145-L157 HydrophobicContact CG2-CG 4.13Å; I145-N161 VanDerWaalsContact CD1-OD1 3.25Å; I145-N161 WeakPolarHBondContact CD1-OD1 3.35Å
146S86.6Confident84.5Confident49 Ų4927.6 Ų27.634%0.34317%0.172SC..Hα-helixtrans-68.7-32.5178.166.40000112.6P142 M143 R154P142-S146 WeakPolarHBondContact O-CB 3.48Å; P142-S146 PolarHBondContact O-N 3.29Å; P142-S146 PolarHBondContact O-OG 3.47Å; M143-S146 PolarHBondContact O-N 2.78Å; M143-S146 PolarHBondContact O-OG 3.15Å; M143-S146 VanDerWaalsContact O-OG 3.07Å; S146-R154 PolarHBondContact O-NE 2.97Å; S146-R154 VanDerWaalsContact O-NE 3.17Å
147E89Confident83.5Confident16 Ų1628.1 Ų28.18%0.07518%0.175CC..Hα-helixtrans-81.9-23.9-178.8-67.6177.3170.800114.5R93 M143 Y144 I145 S211 R213R93-E147 WeakPolarHBondContact CD-OE2 3.39Å; R93-E147 IonicContact CZ-OE1 2.68Å; R93-E147 IonicContact CZ-OE2 3.59Å; R93-E147 IonicContact NE-OE1 2.67Å; R93-E147 PolarHBondContact NE-OE1 2.89Å; R93-E147 IonicContact NE-OE2 2.7Å; R93-E147 PolarHBondContact NE-OE2 3.36Å; R93-E147 IonicContact NH2-OE1 2.7Å; R93-E147 PolarHBondContact NH2-OE1 2.89Å; R93-E147 IonicContact NH2-OE2 2.68Å; M143-E147 WeakPolarHBondContact O-CB 3.14Å; M143-E147 VanDerWaalsContact O-CG 3.24Å; M143-E147 WeakPolarHBondContact O-CG 3.38Å; M143-E147 PolarHBondContact O-N 2.93Å; M143-E147 VanDerWaalsContact O-N 3.13Å; Y144-E147 PolarHBondContact O-N 3.49Å; I145-E147 VanDerWaalsContact C-N 3.33Å; E147-S211 WeakPolarHBondContact CB-OG 3.45Å; E147-S211 WeakPolarHBondContact OE2-CB 3.48Å; E147-S211 PolarHBondContact OE2-OG 3.5Å; E147-R213 HydrophobicContact CB-CB 4.11Å; E147-R213 HydrophobicContact CG-CB 4.04Å
148I90.2Very high82.2Confident0 Ų030.4 Ų30.40%020%0.199CC..Hα-helixtrans-85.8-18.5172.767.3173.7000113.4L13 I17 Y144 L232 R233L13-I148 HydrophobicContact CD1-CB 4.43Å; L13-I148 HydrophobicContact CD1-CD1 3.94Å; L13-I148 HydrophobicContact CD1-CG1 3.9Å; I17-I148 HydrophobicContact CG1-CD1 4.11Å; Y144-I148 HydrophobicContact CD1-CD1 4.21Å; Y144-I148 HydrophobicContact CD2-CG2 4.29Å; Y144-I148 HydrophobicContact CE1-CD1 3.78Å; Y144-I148 HydrophobicContact CE1-CG2 4.24Å; Y144-I148 HydrophobicContact CE2-CG2 3.89Å; Y144-I148 WeakPolarHBondContact O-CG1 3.5Å; Y144-I148 WeakPolarHBondContact O-CG2 3.29Å; Y144-I148 PolarHBondContact O-N 3.3Å; Y144-I148 VanDerWaalsContact O-N 3.1Å; I148-L232 HydrophobicContact CB-CD1 3.87Å; I148-L232 HydrophobicContact CB-CD2 4.25Å; I148-L232 HydrophobicContact CG2-CD1 4.12Å; I148-R233 PolarHBondContact O-NH1 3.41Å
149A86.6Confident81.6Confident0 Ų031 Ų310%020%0.202CC..SBendtrans-86.6146.9-170.600000114I145 R154 L157 R233I145-A149 VanDerWaalsContact O-CB 3.25Å; I145-A149 WeakPolarHBondContact O-CB 3.36Å; I145-A149 PolarHBondContact O-N 2.87Å; A149-R154 HydrophobicContact CB-CG 4.08Å; A149-R154 PolarHBondContact O-NE 3.41Å; A149-R154 PolarHBondContact O-NH2 2.81Å; A149-L157 HydrophobicContact CB-CD1 3.2Å; A149-R233 PolarHBondContact O-NH2 2.89Å
150P84.2Confident81.5Confident13 Ų1332 Ų328%0.08421%0.207CC..  trans-70.7150170.132.3-34.8000110.4L13 N152 L153 R154L13-P150 HydrophobicContact CD2-CG 4.37Å; P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 WeakPolarHBondContact CB-OD1 3.5Å; P150-N152 WeakPolarHBondContact CG-OD1 3.45Å; P150-N152 PolarHBondContact O-N 3.16Å; P150-N152 VanDerWaalsContact O-N 3.14Å; P150-L153 HydrophobicContact CG-CB 4.23Å; P150-L153 HydrophobicContact CG-CD1 3.9Å; P150-L153 HydrophobicContact CG-CG 4.03Å; P150-L153 PolarHBondContact O-N 2.89Å; P150-R154 PolarHBondContact O-N 2.93Å
151L74.7Confident81.2Confident101 Ų10132.3 Ų32.353%0.52921%0.209SC..Hα-helixtrans-46-46.7-176.4-84.4169.8000113.9L153 R154 E244L151-L153 PolarHBondContact O-N 3.37Å; L151-L153 VanDerWaalsContact O-N 3.11Å; L151-R154 PolarHBondContact O-N 2.86Å; L151-E244 HydrophobicContact CD1-CG 3.8Å; L151-E244 VanDerWaalsContact CD1-OE2 3.26Å; L151-E244 WeakPolarHBondContact CD1-OE2 3.35Å; L151-E244 HydrophobicContact CG-CG 4.39Å; L151-E244 VanDerWaalsContact CG-OE2 3.28Å; L151-E244 WeakPolarHBondContact CG-OE2 3.49Å
152N75.1Confident80.8Confident107 Ų10734.5 Ų34.557%0.57222%0.219SC*.Hα-helixtrans-62.6-17.7-177.171.2-38.2000114.2P7 P150P7-N152 PolarHBondContact O-ND2 3.38Å; P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 WeakPolarHBondContact CB-OD1 3.5Å; P150-N152 WeakPolarHBondContact CG-OD1 3.45Å; P150-N152 PolarHBondContact O-N 3.16Å; P150-N152 VanDerWaalsContact O-N 3.14Å
153L75.1Confident80.9Confident10 Ų1034.5 Ų34.55%0.05222%0.216CC..Hα-helixtrans-108.1-19.8177.9-58.5-177.9000113.6A6 L9 P150 L151 G155 G156 L157A6-L153 HydrophobicContact CB-CD2 3.74Å; L9-L153 HydrophobicContact CB-CD1 4.11Å; L9-L153 HydrophobicContact CD1-CD1 4.11Å; P150-L153 HydrophobicContact CG-CB 4.23Å; P150-L153 HydrophobicContact CG-CD1 3.9Å; P150-L153 HydrophobicContact CG-CG 4.03Å; P150-L153 PolarHBondContact O-N 2.89Å; L151-L153 PolarHBondContact O-N 3.37Å; L151-L153 VanDerWaalsContact O-N 3.11Å; L153-G155 VanDerWaalsContact C-N 3.31Å; L153-G155 PolarHBondContact O-N 2.84Å; L153-G156 PolarHBondContact O-N 3.24Å; L153-L157 HydrophobicContact CB-CD1 4.28Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.13Å
154R72.4Confident81.1Confident47 Ų4732.5 Ų32.518%0.17721%0.208CC..Hα-helixtrans-49.7-46.5-174.8-74.5-172.7-173.1146.919.6113.1S146 A149 P150 L151 G156 L157 E244 E248S146-R154 PolarHBondContact O-NE 2.97Å; S146-R154 VanDerWaalsContact O-NE 3.17Å; A149-R154 HydrophobicContact CB-CG 4.08Å; A149-R154 PolarHBondContact O-NE 3.41Å; A149-R154 PolarHBondContact O-NH2 2.81Å; P150-R154 PolarHBondContact O-N 2.93Å; L151-R154 PolarHBondContact O-N 2.86Å; R154-G156 VanDerWaalsContact C-N 3.34Å; R154-G156 PolarHBondContact O-N 3.19Å; R154-L157 PolarHBondContact O-N 2.96Å; R154-E244 IonicContact CZ-OE1 3.79Å; R154-E244 IonicContact NH1-OE1 3.99Å; R154-E244 PolarHBondContact NH1-OE1 3.01Å; R154-E244 IonicContact NH2-OE1 3.23Å; R154-E244 PolarHBondContact NH2-OE1 3.47Å; R154-E244 IonicContact NH2-OE2 2.84Å; R154-E248 IonicContact NH1-OE1 2.87Å; R154-E248 PolarHBondContact NH1-OE1 3.13Å
155G63.1Low81.1Confident75 Ų7533.5 Ų33.577%0.77321%0.214SC*.Hα-helixtrans-63.2-34.7-179.400000114.2L153L153-G155 VanDerWaalsContact C-N 3.31Å; L153-G155 PolarHBondContact O-N 2.84Å
156G67.3Low81.2Confident12 Ų1233.4 Ų33.412%0.12421%0.213CC..Hα-helixtrans-75.6-20.7178.600000114.2L153 R154 G158 T159L153-G156 PolarHBondContact O-N 3.24Å; R154-G156 VanDerWaalsContact C-N 3.34Å; R154-G156 PolarHBondContact O-N 3.19Å; G156-G158 PolarHBondContact O-N 2.98Å; G156-T159 VanDerWaalsContact O-CB 3.31Å; G156-T159 WeakPolarHBondContact O-CB 3.34Å; G156-T159 VanDerWaalsContact O-CG2 3.26Å; G156-T159 WeakPolarHBondContact O-CG2 3.26Å; G156-T159 PolarHBondContact O-N 3.48Å; G156-T159 PolarHBondContact O-OG1 2.94Å
157L71.5Confident81.6Confident14 Ų1433.9 Ų33.97%0.07321%0.214CC..Hα-helixtrans-79.7-19.4-168.4-73166.4000114.8I17 I145 A149 L153 R154 T159 V160I17-L157 HydrophobicContact CD1-CD1 4.43Å; I17-L157 HydrophobicContact CD1-CD2 3.77Å; I17-L157 HydrophobicContact CG1-CD2 4.48Å; I17-L157 HydrophobicContact CG2-CD2 4.4Å; I145-L157 HydrophobicContact CG2-CB 3.65Å; I145-L157 HydrophobicContact CG2-CD1 3.91Å; I145-L157 HydrophobicContact CG2-CD2 4.18Å; I145-L157 HydrophobicContact CG2-CG 4.13Å; A149-L157 HydrophobicContact CB-CD1 3.2Å; L153-L157 HydrophobicContact CB-CD1 4.28Å; L153-L157 WeakPolarHBondContact O-CG 3.45Å; L153-L157 PolarHBondContact O-N 3.13Å; R154-L157 PolarHBondContact O-N 2.96Å; L157-T159 PolarHBondContact O-N 2.66Å; L157-V160 HydrophobicContact CD2-CG2 4.01Å; L157-V160 PolarHBondContact O-N 2.96Å; L157-V160 VanDerWaalsContact O-N 3.17Å
158G68.7Low82Confident48 Ų4833.1 Ų33.150%0.49521%0.21SC..Hα-helixtrans-57.4-28.2167.200000112.6G156 N161 Q162G156-G158 PolarHBondContact O-N 2.98Å; G158-N161 PolarHBondContact O-N 3.07Å; G158-Q162 PolarHBondContact O-N 3.26Å
159T76.3Confident82.2Confident35 Ų3533.3 Ų33.322%0.21521%0.212CC..Hα-helixtrans-71.1-31.7179.477.40000113G156 L157 N161 Q162 L163 I328G156-T159 VanDerWaalsContact O-CB 3.31Å; G156-T159 WeakPolarHBondContact O-CB 3.34Å; G156-T159 VanDerWaalsContact O-CG2 3.26Å; G156-T159 WeakPolarHBondContact O-CG2 3.26Å; G156-T159 PolarHBondContact O-N 3.48Å; G156-T159 PolarHBondContact O-OG1 2.94Å; L157-T159 PolarHBondContact O-N 2.66Å; T159-N161 VanDerWaalsContact C-N 3.33Å; T159-Q162 PolarHBondContact O-N 3.26Å; T159-L163 WeakPolarHBondContact O-CB 3.44Å; T159-L163 PolarHBondContact O-N 3.06Å; T159-I328 HydrophobicContact CG2-CB 4.36Å; T159-I328 HydrophobicContact CG2-CD1 4Å; T159-I328 HydrophobicContact CG2-CG1 3.63Å; T159-I328 HydrophobicContact CG2-CG2 3.91Å
160V84.4Confident82.7Confident44 Ų4435.3 Ų35.327%0.26722%0.222SC..Hα-helixtrans-68.1-37.3179.1-172.60000110.4I17 V21 L157 L163 A164I17-V160 HydrophobicContact CG2-CG1 4.25Å; V21-V160 HydrophobicContact CG1-CG1 4.21Å; V21-V160 HydrophobicContact CG2-CG1 3.75Å; L157-V160 HydrophobicContact CD2-CG2 4.01Å; L157-V160 PolarHBondContact O-N 2.96Å; L157-V160 VanDerWaalsContact O-N 3.17Å; V160-L163 PolarHBondContact O-N 3.2Å; V160-A164 WeakPolarHBondContact O-CB 3.45Å; V160-A164 PolarHBondContact O-N 2.98Å
161N86.3Confident83.2Confident8 Ų838.1 Ų38.14%0.04324%0.236CC..Hα-helixtrans-62.9-47172.8-68.2-32.7000111.6M24 V141 I145 G158 T159 L163 A164 V165M24-N161 HydrophobicContact CE-CB 4.21Å; M24-N161 HydrophobicContact CG-CB 4.11Å; V141-N161 WeakPolarHBondContact CG1-OD1 3.25Å; I145-N161 VanDerWaalsContact CD1-OD1 3.25Å; I145-N161 WeakPolarHBondContact CD1-OD1 3.35Å; G158-N161 PolarHBondContact O-N 3.07Å; T159-N161 VanDerWaalsContact C-N 3.33Å; N161-L163 PolarHBondContact O-N 2.73Å; N161-A164 PolarHBondContact O-N 2.77Å; N161-V165 WeakPolarHBondContact O-CG2 3.28Å; N161-V165 PolarHBondContact O-N 2.75Å; N161-V165 VanDerWaalsContact O-N 3.11Å
162Q86Confident84.2Confident45 Ų4533.3 Ų33.321%0.2121%0.211CC..Hα-helixtrans-64-39.6178.4-172.959.255.400112.3G158 T159 A164 V165 T166 T324G158-Q162 PolarHBondContact O-N 3.26Å; T159-Q162 PolarHBondContact O-N 3.26Å; Q162-A164 VanDerWaalsContact C-N 3.34Å; Q162-V165 PolarHBondContact O-N 3.09Å; Q162-T166 PolarHBondContact O-N 3.12Å; Q162-T166 VanDerWaalsContact O-N 3.13Å; Q162-T166 PolarHBondContact O-OG1 2.74Å; Q162-T324 HydrophobicContact CB-CG2 4.23Å; Q162-T324 HydrophobicContact CG-CG2 3.81Å
163L89.3Confident85.1Confident49 Ų4928.4 Ų28.426%0.25718%0.184SC..Hα-helixtrans-64-38.4175.8-178.362.7000111.9T159 V160 N161 T166 V167 V321 T324 L325T159-L163 WeakPolarHBondContact O-CB 3.44Å; T159-L163 PolarHBondContact O-N 3.06Å; V160-L163 PolarHBondContact O-N 3.2Å; N161-L163 PolarHBondContact O-N 2.73Å; L163-T166 PolarHBondContact O-N 3.43Å; L163-T166 PolarHBondContact O-OG1 3.15Å; L163-V167 HydrophobicContact CD1-CG2 4.26Å; L163-V167 HydrophobicContact CG-CG2 4.42Å; L163-V167 WeakPolarHBondContact O-CB 3.46Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.36Å; L163-V321 HydrophobicContact CD1-CG1 4.17Å; L163-T324 HydrophobicContact CB-CG2 4.24Å; L163-T324 HydrophobicContact CD1-CG2 4.42Å; L163-L325 HydrophobicContact CD1-CD2 3.84Å; L163-L325 HydrophobicContact CD1-CG 4.05Å; L163-L325 HydrophobicContact CD2-CD2 3.88Å; L163-L325 HydrophobicContact CG-CD2 4.5Å
164A93Very high86Confident8 Ų830.3 Ų30.37%0.06620%0.196CC..Hα-helixtrans-67.8-37.3176.500000112.8V21 M24 L25 V160 N161 Q162 G168V21-A164 HydrophobicContact CG1-CB 3.29Å; M24-A164 HydrophobicContact CB-CB 4.09Å; L25-A164 WeakPolarHBondContact CA-O 3.37Å; L25-A164 HydrophobicContact CB-CB 4.33Å; V160-A164 WeakPolarHBondContact O-CB 3.45Å; V160-A164 PolarHBondContact O-N 2.98Å; N161-A164 PolarHBondContact O-N 2.77Å; Q162-A164 VanDerWaalsContact C-N 3.34Å; A164-G168 PolarHBondContact O-N 3.19Å
165V92.8Very high87Confident20 Ų2030 Ų3012%0.12120%0.198CC..Hα-helixtrans-60.4-44.8171.9175.50000110.8M24 F27 G28 N161 Q162 G168 L169M24-V165 HydrophobicContact CB-CG2 4.19Å; M24-V165 HydrophobicContact CE-CG2 3.8Å; M24-V165 WeakPolarHBondContact O-CG2 3.4Å; F27-V165 HydrophobicContact CD1-CG1 4.39Å; F27-V165 HydrophobicContact CD1-CG2 3.69Å; F27-V165 HydrophobicContact CE1-CG1 4.39Å; F27-V165 HydrophobicContact CE1-CG2 4.17Å; G28-V165 VanDerWaalsContact CA-O 3.24Å; G28-V165 WeakPolarHBondContact CA-O 3.31Å; N161-V165 WeakPolarHBondContact O-CG2 3.28Å; N161-V165 PolarHBondContact O-N 2.75Å; N161-V165 VanDerWaalsContact O-N 3.11Å; Q162-V165 PolarHBondContact O-N 3.09Å; V165-G168 PolarHBondContact O-N 3.15Å; V165-L169 WeakPolarHBondContact O-CB 3.41Å; V165-L169 PolarHBondContact O-N 3.13Å
166T93.1Very high88.4Confident1 Ų126.4 Ų26.41%0.00616%0.161CC..Hα-helixtrans-75-32.3-178.555.30000113.4Q162 L163 L170 M320 V321 T324Q162-T166 PolarHBondContact O-N 3.12Å; Q162-T166 VanDerWaalsContact O-N 3.13Å; Q162-T166 PolarHBondContact O-OG1 2.74Å; L163-T166 PolarHBondContact O-N 3.43Å; L163-T166 PolarHBondContact O-OG1 3.15Å; T166-L170 WeakPolarHBondContact O-CB 3.17Å; T166-L170 PolarHBondContact O-N 2.77Å; T166-M320 HydrophobicContact CG2-CB 3.89Å; T166-M320 HydrophobicContact CG2-CE 3.58Å; T166-V321 VanDerWaalsContact C-CG2 3.47Å; T166-V321 WeakPolarHBondContact O-CG2 3.24Å; T166-T324 WeakPolarHBondContact CG2-OG1 3.36Å; T166-T324 PolarHBondContact OG1-OG1 3.46Å
167V95.4Very high89.4Confident58 Ų5826.7 Ų26.735%0.35216%0.159SC..Hα-helixtrans-67.2-40.91701690000111.5L25 L163 L170 L171 V321L25-V167 HydrophobicContact CD1-CG1 4.3Å; L163-V167 HydrophobicContact CD1-CG2 4.26Å; L163-V167 HydrophobicContact CG-CG2 4.42Å; L163-V167 WeakPolarHBondContact O-CB 3.46Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.36Å; V167-L170 PolarHBondContact O-N 3.4Å; V167-L171 WeakPolarHBondContact O-CB 3.31Å; V167-L171 PolarHBondContact O-N 3.16Å; V167-V321 HydrophobicContact CG2-CG1 4.3Å; V167-V321 HydrophobicContact CG2-CG2 4.01Å
168G96.4Very high90Very high0 Ų029.9 Ų29.90%017%0.174CC..Hα-helixtrans-63.3-43.7174.400000112.4Y29 A164 V165 L171 S172Y29-G168 WeakPolarHBondContact CA-O 3.05Å; A164-G168 PolarHBondContact O-N 3.19Å; V165-G168 PolarHBondContact O-N 3.15Å; G168-L171 PolarHBondContact O-N 3.03Å; G168-S172 PolarHBondContact O-N 3.39Å
169L94.9Very high90.8Very high5 Ų532.7 Ų32.73%0.02617%0.174CC..Hα-helixtrans-56.6-54.1173.7176.865000110.9G28 V165 L171 S172 Q173 F292 M320G28-L169 WeakPolarHBondContact O-CA 3.32Å; G28-L169 PolarHBondContact O-N 3.34Å; V165-L169 WeakPolarHBondContact O-CB 3.41Å; V165-L169 PolarHBondContact O-N 3.13Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 2.97Å; L169-S172 PolarHBondContact O-N 3.45Å; L169-S172 PolarHBondContact O-OG 3.39Å; L169-Q173 WeakPolarHBondContact O-CG 3.47Å; L169-Q173 PolarHBondContact O-N 2.7Å; L169-Q173 VanDerWaalsContact O-N 3.14Å; L169-F292 HydrophobicContact CD2-CD1 4.02Å; L169-F292 HydrophobicContact CD2-CE1 3.82Å; L169-F292 HydrophobicContact CD2-CZ 4.12Å; L169-M320 HydrophobicContact CD2-CB 4.46Å; L169-M320 HydrophobicContact CD2-CG 4.2Å
170L95.8Very high91.4Very high41 Ų4134.8 Ų34.822%0.21518%0.183CC..Hα-helixtrans-58.6-43.7177.5174.458.7000112.2T166 V167 S172 Q173 V174 I314 A318 V321T166-L170 WeakPolarHBondContact O-CB 3.17Å; T166-L170 PolarHBondContact O-N 2.77Å; V167-L170 PolarHBondContact O-N 3.4Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.09Å; L170-Q173 PolarHBondContact O-N 2.94Å; L170-V174 HydrophobicContact CD1-CG2 3.79Å; L170-V174 HydrophobicContact CG-CG2 4.33Å; L170-V174 WeakPolarHBondContact O-CG2 3.41Å; L170-V174 PolarHBondContact O-N 3.12Å; L170-I314 HydrophobicContact CD1-CG2 3.95Å; L170-A318 HydrophobicContact CD1-CB 4.44Å; L170-V321 HydrophobicContact CB-CG2 4.23Å; L170-V321 HydrophobicContact CD2-CG2 3.98Å
171L96.2Very high91.6Very high72 Ų7234.3 Ų34.338%0.37718%0.179SC..Hα-helixtrans-60.3-40.4177.9-178.863000111.8Y29 V167 G168 L169 L175Y29-L171 HydrophobicContact CD2-CB 4.41Å; Y29-L171 HydrophobicContact CD2-CD2 4.35Å; Y29-L171 HydrophobicContact CD2-CG 4.27Å; Y29-L171 HydrophobicContact CE2-CD2 4.49Å; Y29-L171 HydrophobicContact CE2-CG 4.2Å; V167-L171 WeakPolarHBondContact O-CB 3.31Å; V167-L171 PolarHBondContact O-N 3.16Å; G168-L171 PolarHBondContact O-N 3.03Å; L169-L171 VanDerWaalsContact C-N 3.35Å; L169-L171 PolarHBondContact O-N 2.97Å; L171-L175 HydrophobicContact CD1-CD1 4Å; L171-L175 HydrophobicContact CD1-CG 4.13Å; L171-L175 HydrophobicContact CG-CD1 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.29Å; L171-L175 PolarHBondContact O-N 3.13Å
172S95.1Very high91.6Very high1 Ų133.9 Ų33.91%0.00718%0.177CC..Hα-helixtrans-65.8-36.5176.773.70000113.2Y29 G32 V33 G168 L169 L170 G176Y29-S172 WeakPolarHBondContact O-CB 3.43Å; G32-S172 WeakPolarHBondContact CA-OG 3.41Å; V33-S172 PolarHBondContact N-OG 3.2Å; G168-S172 PolarHBondContact O-N 3.39Å; L169-S172 PolarHBondContact O-N 3.45Å; L169-S172 PolarHBondContact O-OG 3.39Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.09Å; S172-G176 PolarHBondContact O-N 3.36Å; S172-G176 VanDerWaalsContact O-N 3.07Å
173Q93.5Very high91.7Very high4 Ų434.3 Ų34.32%0.01918%0.182CC..Hα-helixtrans-73.2-39.8178-67.4172.3-32.200112L169 L170 G176 T313 I314 G317L169-Q173 WeakPolarHBondContact O-CG 3.47Å; L169-Q173 PolarHBondContact O-N 2.7Å; L169-Q173 VanDerWaalsContact O-N 3.14Å; L170-Q173 PolarHBondContact O-N 2.94Å; Q173-G176 PolarHBondContact O-N 3.16Å; Q173-T313 HydrophobicContact CB-CG2 4.48Å; Q173-T313 VanDerWaalsContact CD-O 3.27Å; Q173-T313 HydrophobicContact CG-CG2 3.94Å; Q173-T313 PolarHBondContact NE2-O 3.26Å; Q173-T313 PolarHBondContact OE1-O 3.48Å; Q173-I314 HydrophobicContact CB-CG1 4.13Å; Q173-G317 VanDerWaalsContact OE1-N 3.1Å
174V94.8Very high91.5Very high50 Ų5036.1 Ų36.130%0.30319%0.193SC..Hα-helixtrans-66.3-45.5176.7170.20000111.3L170 G176 I177 I314L170-V174 HydrophobicContact CD1-CG2 3.79Å; L170-V174 HydrophobicContact CG-CG2 4.33Å; L170-V174 WeakPolarHBondContact O-CG2 3.41Å; L170-V174 PolarHBondContact O-N 3.12Å; V174-G176 PolarHBondContact O-N 3.08Å; V174-I177 WeakPolarHBondContact O-CG1 3.28Å; V174-I314 HydrophobicContact CG2-CD1 4.34Å; V174-I314 HydrophobicContact CG2-CG1 4.2Å; V174-I314 HydrophobicContact CG2-CG2 3.96Å
175L94.1Very high91.3Very high39 Ų3942 Ų4220%0.20422%0.218CC..Hα-helixtrans-69.9-24.8177.1-64.7178.5000112.6Y29 L171 I177 I180 L181 L190 L193Y29-L175 HydrophobicContact CE2-CD1 4.18Å; L171-L175 HydrophobicContact CD1-CD1 4Å; L171-L175 HydrophobicContact CD1-CG 4.13Å; L171-L175 HydrophobicContact CG-CD1 4.13Å; L171-L175 WeakPolarHBondContact O-CB 3.27Å; L171-L175 WeakPolarHBondContact O-CG 3.29Å; L171-L175 PolarHBondContact O-N 3.13Å; L175-I177 VanDerWaalsContact C-N 3.26Å; L175-I177 PolarHBondContact O-N 3.12Å; L175-I180 HydrophobicContact CB-CG2 4.48Å; L175-I180 HydrophobicContact CD2-CG2 3.84Å; L175-L181 WeakPolarHBondContact O-CB 3.41Å; L175-L181 PolarHBondContact O-N 3Å; L175-L181 VanDerWaalsContact O-N 3.11Å; L175-L190 HydrophobicContact CB-CD1 3.45Å; L175-L190 VanDerWaalsContact CB-CD1 3.45Å; L175-L193 HydrophobicContact CD1-CD1 3.96Å
176G90.6Very high91.2Very high0 Ų041.2 Ų41.20%022%0.215CC..THydrogen-bonded Turntrans-75.43.1-179.300000116.5A36 S172 Q173 V174 G182A36-G176 VanDerWaalsContact CB-O 3.28Å; A36-G176 WeakPolarHBondContact CB-O 3.43Å; S172-G176 PolarHBondContact O-N 3.36Å; S172-G176 VanDerWaalsContact O-N 3.07Å; Q173-G176 PolarHBondContact O-N 3.16Å; V174-G176 PolarHBondContact O-N 3.08Å; G176-G182 VanDerWaalsContact O-CA 3.27Å; G176-G182 WeakPolarHBondContact O-CA 3.3Å
177I89.2Confident91.2Very high18 Ų1841.3 Ų41.39%0.09222%0.215CC..SBendtrans-79.1152.7175.171.1-175.8000112.1V174 L175 Q179 I180 L181 G182 K310 I314V174-I177 WeakPolarHBondContact O-CG1 3.28Å; L175-I177 VanDerWaalsContact C-N 3.26Å; L175-I177 PolarHBondContact O-N 3.12Å; I177-Q179 HydrophobicContact CD1-CB 4.29Å; I177-Q179 HydrophobicContact CG1-CB 4.31Å; I177-Q179 PolarHBondContact O-N 2.93Å; I177-I180 HydrophobicContact CD1-CD1 3.82Å; I177-I180 HydrophobicContact CD1-CG1 4.03Å; I177-I180 HydrophobicContact CG1-CB 4.01Å; I177-I180 HydrophobicContact CG1-CD1 3.98Å; I177-I180 HydrophobicContact CG1-CG1 3.84Å; I177-I180 PolarHBondContact O-N 2.9Å; I177-L181 PolarHBondContact O-N 2.89Å; I177-L181 VanDerWaalsContact O-N 3.16Å; I177-G182 WeakPolarHBondContact O-CA 3.46Å; I177-G182 PolarHBondContact O-N 3.3Å; I177-K310 HydrophobicContact CG2-CB 4.48Å; I177-I314 HydrophobicContact CG2-CD1 3.47Å; I177-I314 VanDerWaalsContact CG2-CD1 3.47Å; I177-I314 HydrophobicContact CG2-CG1 4.45Å
178E84.6Confident91.2Very high82 Ų8239 Ų3938%0.38320%0.201SC..THydrogen-bonded Turntrans-58.8-31.1-179.1-73.2165.3-13400113I180 G182 T183 K310E178-I180 PolarHBondContact O-N 3.35Å; E178-G182 WeakPolarHBondContact CG-O 3.48Å; E178-T183 WeakPolarHBondContact O-CG2 3.33Å; E178-K310 HydrophobicContact CG-CD 4.36Å; E178-K310 IonicContact OE1-NZ 2.84Å; E178-K310 PolarHBondContact OE1-NZ 3.48Å
179Q85.3Confident91.1Very high106 Ų10643.7 Ų43.750%0.49523%0.225SC..THydrogen-bonded Turntrans-73.8-3.9177.9-53.383.7-7.200113.4I177 E307I177-Q179 HydrophobicContact CD1-CB 4.29Å; I177-Q179 HydrophobicContact CG1-CB 4.31Å; I177-Q179 PolarHBondContact O-N 2.93Å; Q179-E307 PolarHBondContact NE2-OE1 3.28Å
180I89.4Confident91.1Very high80 Ų8043.4 Ų43.441%0.4122%0.224SC..THydrogen-bonded Turntrans-127.3-80.7-178.3-62.7178.8000111.3L175 I177 E178L175-I180 HydrophobicContact CB-CG2 4.48Å; L175-I180 HydrophobicContact CD2-CG2 3.84Å; I177-I180 HydrophobicContact CD1-CD1 3.82Å; I177-I180 HydrophobicContact CD1-CG1 4.03Å; I177-I180 HydrophobicContact CG1-CB 4.01Å; I177-I180 HydrophobicContact CG1-CD1 3.98Å; I177-I180 HydrophobicContact CG1-CG1 3.84Å; I177-I180 PolarHBondContact O-N 2.9Å; E178-I180 PolarHBondContact O-N 3.35Å
181L88.6Confident91Very high33 Ų3341.5 Ų41.517%0.17321%0.214CC..THydrogen-bonded Turntrans-136.92.1-178.2-68170.4000113.8L175 I177 T183 G186 W187 I189 L190 L193L175-L181 WeakPolarHBondContact O-CB 3.41Å; L175-L181 PolarHBondContact O-N 3Å; L175-L181 VanDerWaalsContact O-N 3.11Å; I177-L181 PolarHBondContact O-N 2.89Å; I177-L181 VanDerWaalsContact O-N 3.16Å; L181-T183 PolarHBondContact O-N 3.47Å; L181-G186 CarbonylContact O-C 3.58Å; L181-G186 WeakPolarHBondContact O-CA 3.37Å; L181-W187 PolarHBondContact O-N 2.62Å; L181-W187 VanDerWaalsContact O-N 3.1Å; L181-I189 HydrophobicContact CD1-CG2 4.33Å; L181-I189 HydrophobicContact CD2-CB 4.26Å; L181-I189 HydrophobicContact CD2-CG2 4.18Å; L181-L190 HydrophobicContact CB-CB 3.99Å; L181-L190 HydrophobicContact CB-CD1 4.19Å; L181-L190 HydrophobicContact CD1-CD1 4.46Å; L181-L193 HydrophobicContact CD1-CD1 3.49Å; L181-L193 VanDerWaalsContact CD1-CD1 3.49Å
182G84.7Confident91Very high0 Ų038.7 Ų38.70%020%0.203CC..  trans-7540.4173.200000114.4G176 I177 E178G176-G182 VanDerWaalsContact O-CA 3.27Å; G176-G182 WeakPolarHBondContact O-CA 3.3Å; I177-G182 WeakPolarHBondContact O-CA 3.46Å; I177-G182 PolarHBondContact O-N 3.3Å; E178-G182 WeakPolarHBondContact CG-O 3.48Å
183T88.5Confident91Very high53 Ų5341.2 Ų41.233%0.32522%0.216SC..SBendtrans-118.5165.6-176.768.50000111.3E178 L181 E185 G186 W187E178-T183 WeakPolarHBondContact O-CG2 3.33Å; L181-T183 PolarHBondContact O-N 3.47Å; T183-E185 PolarHBondContact O-N 3.31Å; T183-E185 VanDerWaalsContact O-N 3.12Å; T183-G186 PolarHBondContact O-N 3.41Å; T183-G186 VanDerWaalsContact O-N 3.1Å; T183-G186 PolarHBondContact OG1-N 3.07Å; T183-W187 PolarHBondContact O-N 3.12Å
184N86.1Confident90.9Very high88 Ų8841 Ų4147%0.47122%0.215SC..THydrogen-bonded Turntrans-57.2-26.2178-71.5-10.5000113.9N40 K115 W187N40-N184 PolarHBondContact ND2-OD1 2.88Å; K115-N184 PolarHBondContact NZ-O 3.45Å; N184-W187 PolarHBondContact O-NE1 2.85Å
185E87.8Confident91Very high130 Ų13040.6 Ų40.661%0.60721%0.211SC*.THydrogen-bonded Turntrans-97.3-28.6173.7-57.5-46.4126.800113.4K115 T183 P188K115-E185 IonicContact NZ-OE1 2.86Å; K115-E185 PolarHBondContact NZ-OE1 2.99Å; K115-E185 IonicContact NZ-OE2 3.88Å; K115-E185 PolarHBondContact NZ-OE2 3.45Å; T183-E185 PolarHBondContact O-N 3.31Å; T183-E185 VanDerWaalsContact O-N 3.12Å; E185-P188 WeakPolarHBondContact O-CD 3.42Å
186G91.1Very high91Very high5 Ų541.9 Ų41.95%0.05222%0.222CC..THydrogen-bonded Turntrans-80.2-29-176.300000114.8L181 T183 P188 I189 L190L181-G186 CarbonylContact O-C 3.58Å; L181-G186 WeakPolarHBondContact O-CA 3.37Å; T183-G186 PolarHBondContact O-N 3.41Å; T183-G186 VanDerWaalsContact O-N 3.1Å; T183-G186 PolarHBondContact OG1-N 3.07Å; G186-P188 VanDerWaalsContact C-CD 3.43Å; G186-I189 WeakPolarHBondContact O-CA 3.49Å; G186-I189 WeakPolarHBondContact O-CB 3.24Å; G186-I189 PolarHBondContact O-N 3.43Å; G186-L190 PolarHBondContact O-N 3.49Å
187W93.9Very high91.2Very high3 Ų342.6 Ų42.61%0.01123%0.227CC..Hα-helixtrans-61.2-34.1-171.177.2-98.4000115.2P37 N40 I41 F44 T114 K115 L181 T183 N184 I189 L190 L191P37-W187 HydrophobicContact CB-CB 3.79Å; N40-W187 HydrophobicContact CB-CB 4.42Å; N40-W187 HydrophobicContact CB-CG 4.12Å; I41-W187 HydrophobicContact CD1-CE3 4.28Å; I41-W187 HydrophobicContact CG1-CD2 3.97Å; I41-W187 HydrophobicContact CG1-CE3 3.69Å; I41-W187 HydrophobicContact CG1-CZ3 4.02Å; F44-W187 HydrophobicContact CB-CZ2 3.7Å; F44-W187 AromaticContact CD1-CH2 3.7Å; F44-W187 HydrophobicContact CD1-CH2 3.7Å; F44-W187 AromaticContact CD1-CZ2 3.63Å; F44-W187 HydrophobicContact CD1-CZ2 3.63Å; F44-W187 HydrophobicContact CD2-CZ2 4.02Å; F44-W187 HydrophobicContact CE1-CH2 4.01Å; F44-W187 HydrophobicContact CE1-CZ2 4.25Å; F44-W187 HydrophobicContact CG-CH2 4.06Å; F44-W187 AromaticContact CG-CZ2 3.49Å; F44-W187 HydrophobicContact CG-CZ2 3.49Å; F44-W187 VanDerWaalsContact CG-CZ2 3.49Å; T114-W187 HydrophobicContact CG2-CH2 3.73Å; T114-W187 HydrophobicContact CG2-CZ3 4.29Å; K115-W187 HydrophobicContact CB-CZ2 4.35Å; L181-W187 PolarHBondContact O-N 2.62Å; L181-W187 VanDerWaalsContact O-N 3.1Å; T183-W187 PolarHBondContact O-N 3.12Å; N184-W187 PolarHBondContact O-NE1 2.85Å; W187-I189 VanDerWaalsContact C-N 3.34Å; W187-L190 WeakPolarHBondContact O-CB 3.41Å; W187-L190 PolarHBondContact O-N 3.5Å; W187-L191 HydrophobicContact CE3-CD1 3.94Å; W187-L191 HydrophobicContact CE3-CG 4.37Å; W187-L191 HydrophobicContact CZ3-CD1 3.86Å; W187-L191 WeakPolarHBondContact O-CG 3.33Å; W187-L191 PolarHBondContact O-N 3.17Å; W187-L191 VanDerWaalsContact O-N 3.14Å
188P94.1Very high91.5Very high9 Ų941.8 Ų41.86%0.05822%0.222CC..Hα-helixtrans-67.7-38.2175-16.331.7000110.8G112 K115 E185 G186 L191 G192G112-P188 WeakPolarHBondContact CA-O 3.34Å; G112-P188 WeakPolarHBondContact O-CB 3.49Å; K115-P188 HydrophobicContact CB-CB 4.3Å; K115-P188 HydrophobicContact CB-CG 3.65Å; K115-P188 HydrophobicContact CD-CG 3.93Å; K115-P188 HydrophobicContact CG-CG 4.41Å; E185-P188 WeakPolarHBondContact O-CD 3.42Å; G186-P188 VanDerWaalsContact C-CD 3.43Å; P188-L191 PolarHBondContact O-N 3.22Å; P188-G192 PolarHBondContact O-N 2.92Å
189I94.9Very high92Very high98 Ų9841.3 Ų41.350%0.50322%0.222SC..Hα-helixtrans-63.9-42.9175.6-55.5174.1000109.8L181 G186 W187 L191 G192 L193L181-I189 HydrophobicContact CD1-CG2 4.33Å; L181-I189 HydrophobicContact CD2-CB 4.26Å; L181-I189 HydrophobicContact CD2-CG2 4.18Å; G186-I189 WeakPolarHBondContact O-CA 3.49Å; G186-I189 WeakPolarHBondContact O-CB 3.24Å; G186-I189 PolarHBondContact O-N 3.43Å; W187-I189 VanDerWaalsContact C-N 3.34Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.85Å; I189-G192 CarbonylContact O-C 2.98Å; I189-G192 WeakPolarHBondContact O-CA 3.45Å; I189-G192 PolarHBondContact O-N 2.88Å; I189-G192 VanDerWaalsContact O-N 3.09Å; I189-L193 WeakPolarHBondContact O-CG 3.47Å; I189-L193 PolarHBondContact O-N 3.25Å
190L94.9Very high92.5Very high0 Ų039.7 Ų39.70%022%0.216CC..Hα-helixtrans-55.7-44.1175.6-178.868000112.4Y29 V33 P37 L175 L181 G186 W187Y29-L190 PolarHBondContact OH-O 3Å; V33-L190 HydrophobicContact CG2-CD1 4.1Å; V33-L190 HydrophobicContact CG2-CD2 4.11Å; V33-L190 HydrophobicContact CG2-CG 3.62Å; P37-L190 HydrophobicContact CB-CD2 4.48Å; P37-L190 HydrophobicContact CG-CD2 4.03Å; L175-L190 HydrophobicContact CB-CD1 3.45Å; L175-L190 VanDerWaalsContact CB-CD1 3.45Å; L181-L190 HydrophobicContact CB-CB 3.99Å; L181-L190 HydrophobicContact CB-CD1 4.19Å; L181-L190 HydrophobicContact CD1-CD1 4.46Å; G186-L190 PolarHBondContact O-N 3.49Å; W187-L190 WeakPolarHBondContact O-CB 3.41Å; W187-L190 PolarHBondContact O-N 3.5Å
191L94.7Very high92.8Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-69.6-40.6173.7-58.1-172.1000111.9V33 M111 L123 W187 P188 I189 L193 A194V33-L191 HydrophobicContact CB-CD2 4.42Å; V33-L191 HydrophobicContact CG1-CD2 3.72Å; V33-L191 HydrophobicContact CG2-CD2 4.01Å; M111-L191 HydrophobicContact CB-CB 3.71Å; M111-L191 HydrophobicContact CB-CD1 4.07Å; M111-L191 HydrophobicContact SD-CB 4.44Å; M111-L191 HydrophobicContact SD-CD1 4.49Å; L123-L191 HydrophobicContact CD1-CD1 3.48Å; L123-L191 VanDerWaalsContact CD1-CD1 3.48Å; W187-L191 HydrophobicContact CE3-CD1 3.94Å; W187-L191 HydrophobicContact CE3-CG 4.37Å; W187-L191 HydrophobicContact CZ3-CD1 3.86Å; W187-L191 WeakPolarHBondContact O-CG 3.33Å; W187-L191 PolarHBondContact O-N 3.17Å; W187-L191 VanDerWaalsContact O-N 3.14Å; P188-L191 PolarHBondContact O-N 3.22Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.85Å; L191-L193 VanDerWaalsContact C-N 3.3Å; L191-L193 PolarHBondContact O-N 2.89Å; L191-A194 VanDerWaalsContact O-CB 3.31Å; L191-A194 WeakPolarHBondContact O-CB 3.38Å; L191-A194 PolarHBondContact O-N 3.45Å
192G94.6Very high93.1Very high14 Ų1437.7 Ų37.714%0.14421%0.206CC..Hα-helixtrans-62.4-30.417800000114P188 I189 A194 I195P188-G192 PolarHBondContact O-N 2.92Å; I189-G192 CarbonylContact O-C 2.98Å; I189-G192 WeakPolarHBondContact O-CA 3.45Å; I189-G192 PolarHBondContact O-N 2.88Å; I189-G192 VanDerWaalsContact O-N 3.09Å; G192-A194 PolarHBondContact O-N 3.25Å; G192-I195 VanDerWaalsContact O-CB 3.26Å; G192-I195 WeakPolarHBondContact O-CB 3.35Å; G192-I195 WeakPolarHBondContact O-CG2 3.39Å; G192-I195 PolarHBondContact O-N 3.05Å
193L95.1Very high93.7Very high53 Ų5343 Ų4328%0.27723%0.234SC..THydrogen-bonded Turntrans-60.8-13.7176.6-77.8178.7000114.1L175 L181 I189 L191 I195 C196 P197L175-L193 HydrophobicContact CD1-CD1 3.96Å; L181-L193 HydrophobicContact CD1-CD1 3.49Å; L181-L193 VanDerWaalsContact CD1-CD1 3.49Å; I189-L193 WeakPolarHBondContact O-CG 3.47Å; I189-L193 PolarHBondContact O-N 3.25Å; L191-L193 VanDerWaalsContact C-N 3.3Å; L191-L193 PolarHBondContact O-N 2.89Å; L193-I195 PolarHBondContact O-N 3.44Å; L193-C196 WeakPolarHBondContact O-CB 3.37Å; L193-C196 PolarHBondContact O-N 3.32Å; L193-P197 WeakPolarHBondContact O-CD 3.4Å
194A93Very high94Very high0 Ų041.9 Ų41.90%023%0.225CC..THydrogen-bonded Turntrans-57.2-15.1165.800000113.6Q26 Y29 A108 M111 L191 G192Q26-A194 PolarHBondContact NE2-O 3Å; Y29-A194 HydrophobicContact CD1-CB 4.15Å; Y29-A194 HydrophobicContact CE1-CB 4.22Å; A108-A194 HydrophobicContact CB-CB 3.99Å; M111-A194 HydrophobicContact CE-CB 4.49Å; L191-A194 VanDerWaalsContact O-CB 3.31Å; L191-A194 WeakPolarHBondContact O-CB 3.38Å; L191-A194 PolarHBondContact O-N 3.45Å; G192-A194 PolarHBondContact O-N 3.25Å
195I95.7Very high94.3Very high42 Ų4237.7 Ų37.722%0.21520%0.203CC..Hα-helixtrans-69.3-31.3172.5-155.9179.4000112.7I105 A108 G192 L193 A198 I199I105-I195 HydrophobicContact CB-CG1 4.37Å; I105-I195 HydrophobicContact CG1-CG1 4.01Å; I105-I195 HydrophobicContact CG2-CD1 4.13Å; I105-I195 HydrophobicContact CG2-CG1 4.2Å; A108-I195 HydrophobicContact CB-CB 3.8Å; A108-I195 HydrophobicContact CB-CG1 4.41Å; G192-I195 VanDerWaalsContact O-CB 3.26Å; G192-I195 WeakPolarHBondContact O-CB 3.35Å; G192-I195 WeakPolarHBondContact O-CG2 3.39Å; G192-I195 PolarHBondContact O-N 3.05Å; L193-I195 PolarHBondContact O-N 3.44Å; I195-A198 PolarHBondContact O-N 3.21Å; I195-I199 HydrophobicContact CD1-CD1 3.83Å; I195-I199 HydrophobicContact CG1-CD1 3.72Å; I195-I199 HydrophobicContact CG1-CG1 4.12Å; I195-I199 PolarHBondContact O-N 3.42Å
196C95.2Very high94.7Very high66 Ų6634.6 Ų34.645%0.44619%0.194SC..Hα-helixtrans-67.9-45.2-170.1-65.20000113.3L193 A198 L200L193-C196 WeakPolarHBondContact O-CB 3.37Å; L193-C196 PolarHBondContact O-N 3.32Å; C196-A198 VanDerWaalsContact C-N 3.26Å; C196-A198 PolarHBondContact O-N 3.01Å; C196-L200 WeakPolarHBondContact O-CB 3.36Å; C196-L200 PolarHBondContact O-N 3.25Å
197P94Very high94.8Very high15 Ų1537.9 Ų37.910%0.09721%0.213CC..Hα-helixtrans-59.4-35.4171.2-24.835.2000113L25 Q26 L193 Q201L25-P197 HydrophobicContact CD2-CB 4.17Å; L25-P197 HydrophobicContact CD2-CG 3.74Å; Q26-P197 HydrophobicContact CB-CB 4.32Å; L193-P197 WeakPolarHBondContact O-CD 3.4Å; P197-Q201 WeakPolarHBondContact O-CB 3.25Å; P197-Q201 PolarHBondContact O-N 3.13Å
198A94.6Very high94.8Very high0 Ų037.8 Ų37.80%021%0.213CC..Hα-helixtrans-74.1-42.4-178.400000113.1N101 I105 I195 C196 L200 Q201 L202N101-A198 HydrophobicContact CB-CB 4.46Å; N101-A198 WeakPolarHBondContact OD1-CA 3.43Å; N101-A198 WeakPolarHBondContact OD1-CB 3.35Å; N101-A198 PolarHBondContact OD1-O 2.7Å; I105-A198 HydrophobicContact CG1-CB 3.97Å; I195-A198 PolarHBondContact O-N 3.21Å; C196-A198 VanDerWaalsContact C-N 3.26Å; C196-A198 PolarHBondContact O-N 3.01Å; A198-L200 VanDerWaalsContact C-N 3.34Å; A198-Q201 PolarHBondContact O-N 3.43Å; A198-L202 VanDerWaalsContact O-CB 3.25Å; A198-L202 WeakPolarHBondContact O-CB 3.5Å; A198-L202 PolarHBondContact O-N 3.29Å
199I95.7Very high94.8Very high73 Ų7337.9 Ų37.937%0.37421%0.213SC..Hα-helixtrans-62.9-43.3172.2-70.5172.8000110.1I105 I195 Q201 L202 I203I105-I199 HydrophobicContact CD1-CG1 4.06Å; I105-I199 HydrophobicContact CG1-CG1 4.29Å; I195-I199 HydrophobicContact CD1-CD1 3.83Å; I195-I199 HydrophobicContact CG1-CD1 3.72Å; I195-I199 HydrophobicContact CG1-CG1 4.12Å; I195-I199 PolarHBondContact O-N 3.42Å; I199-Q201 PolarHBondContact O-N 3.1Å; I199-L202 PolarHBondContact O-N 3.47Å; I199-I203 HydrophobicContact CG2-CD1 3.8Å; I199-I203 VanDerWaalsContact O-CG1 3.32Å; I199-I203 WeakPolarHBondContact O-CG1 3.32Å; I199-I203 PolarHBondContact O-N 3.16Å
200L95.9Very high94.8Very high72 Ų7234.7 Ų34.738%0.37720%0.196SC..Hα-helixtrans-62.8-43.6177.3-175.862.2000111.7L22 C196 A198 I203 L204L22-L200 HydrophobicContact CD1-CB 4.12Å; L22-L200 HydrophobicContact CD1-CD2 3.89Å; L22-L200 HydrophobicContact CD1-CG 3.74Å; L22-L200 HydrophobicContact CD2-CD2 4.04Å; C196-L200 WeakPolarHBondContact O-CB 3.36Å; C196-L200 PolarHBondContact O-N 3.25Å; A198-L200 VanDerWaalsContact C-N 3.34Å; L200-I203 PolarHBondContact O-N 3.39Å; L200-L204 HydrophobicContact CD1-CD1 3.88Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CG-CD1 3.87Å; L200-L204 HydrophobicContact CG-CG 4.45Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.45Å; L200-L204 PolarHBondContact O-N 2.82Å
201Q95.9Very high94.7Very high0 Ų034.7 Ų34.70%020%0.196CC..Hα-helixtrans-62.9-42174.1-177.1166.690.300111.4S19 A20 L22 N101 P197 A198 I199 I203 L204 L205S19-Q201 WeakPolarHBondContact O-CG 3.49Å; S19-Q201 PolarHBondContact O-NE2 3.03Å; A20-Q201 PolarHBondContact O-NE2 3.05Å; L22-Q201 HydrophobicContact CB-CB 4.11Å; L22-Q201 HydrophobicContact CD1-CB 4Å; N101-Q201 WeakPolarHBondContact ND2-CG 3.36Å; N101-Q201 PolarHBondContact ND2-OE1 3.33Å; N101-Q201 PolarHBondContact OD1-OE1 3.29Å; P197-Q201 WeakPolarHBondContact O-CB 3.25Å; P197-Q201 PolarHBondContact O-N 3.13Å; A198-Q201 PolarHBondContact O-N 3.43Å; I199-Q201 PolarHBondContact O-N 3.1Å; Q201-I203 VanDerWaalsContact C-N 3.26Å; Q201-I203 PolarHBondContact O-N 2.93Å; Q201-L204 PolarHBondContact O-N 3.47Å; Q201-L205 HydrophobicContact CG-CB 4.23Å; Q201-L205 HydrophobicContact CG-CD2 4.14Å; Q201-L205 WeakPolarHBondContact O-CB 3.42Å; Q201-L205 PolarHBondContact O-N 3.35Å
202L95.3Very high94.6Very high71 Ų7134.7 Ų34.737%0.37220%0.196SC..Hα-helixtrans-63.6-28.2177.4-173.163.6000113.2L98 N101 I105 A198 I199 P206L98-L202 HydrophobicContact CD2-CD1 3.98Å; N101-L202 HydrophobicContact CB-CB 4.46Å; I105-L202 HydrophobicContact CD1-CD2 4.07Å; A198-L202 VanDerWaalsContact O-CB 3.25Å; A198-L202 WeakPolarHBondContact O-CB 3.5Å; A198-L202 PolarHBondContact O-N 3.29Å; I199-L202 PolarHBondContact O-N 3.47Å; L202-P206 WeakPolarHBondContact O-CD 3.41Å; L202-P206 WeakPolarHBondContact O-CG 3.42Å
203I95.8Very high94.3Very high112 Ų11235.7 Ų35.757%0.57420%0.196SC*.Hα-helixtrans-79.9-43.2175-69.4165.3000111.9I199 L200 Q201I199-I203 HydrophobicContact CG2-CD1 3.8Å; I199-I203 VanDerWaalsContact O-CG1 3.32Å; I199-I203 WeakPolarHBondContact O-CG1 3.32Å; I199-I203 PolarHBondContact O-N 3.16Å; L200-I203 PolarHBondContact O-N 3.39Å; Q201-I203 VanDerWaalsContact C-N 3.26Å; Q201-I203 PolarHBondContact O-N 2.93Å
204L95.3Very high93.9Very high29 Ų2933.5 Ų33.515%0.15218%0.184CC..Hα-helixtrans-81.9-44.7-173.8-60.9173.8000113Y15 F18 S19 L22 L200 Q201 V207Y15-L204 HydrophobicContact CE2-CD2 3.86Å; Y15-L204 WeakPolarHBondContact OH-CA 3.44Å; Y15-L204 WeakPolarHBondContact OH-CD2 3.41Å; Y15-L204 PolarHBondContact OH-O 2.94Å; F18-L204 HydrophobicContact CD1-CD1 4.11Å; F18-L204 HydrophobicContact CE1-CD1 3.9Å; S19-L204 WeakPolarHBondContact OG-CB 3.37Å; L22-L204 HydrophobicContact CD1-CD1 4.12Å; L200-L204 HydrophobicContact CD1-CD1 3.88Å; L200-L204 HydrophobicContact CD1-CG 4.12Å; L200-L204 HydrophobicContact CG-CD1 3.87Å; L200-L204 HydrophobicContact CG-CG 4.45Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.45Å; L200-L204 PolarHBondContact O-N 2.82Å; Q201-L204 PolarHBondContact O-N 3.47Å; L204-V207 WeakPolarHBondContact O-CB 3.43Å; L204-V207 PolarHBondContact O-N 3.38Å
205L93.9Very high93.9Very high0 Ų034.4 Ų34.40%019%0.189CC..THydrogen-bonded Turntrans-60.9-30.2-172.1-172.164.1000115K94 L97 L98 Q201 V207 C208K94-L205 WeakPolarHBondContact CE-O 3.31Å; K94-L205 HydrophobicContact CG-CD1 4.31Å; K94-L205 HydrophobicContact CG-CG 4.1Å; L97-L205 HydrophobicContact CB-CD2 3.49Å; L97-L205 VanDerWaalsContact CB-CD2 3.49Å; L97-L205 HydrophobicContact CD1-CD2 4.36Å; L98-L205 HydrophobicContact CD2-CB 4.09Å; L98-L205 HydrophobicContact CD2-CD2 3.93Å; L98-L205 HydrophobicContact CD2-CG 4.13Å; L98-L205 HydrophobicContact CG-CD2 3.87Å; L98-L205 HydrophobicContact CG-CG 4.28Å; Q201-L205 HydrophobicContact CG-CB 4.23Å; Q201-L205 HydrophobicContact CG-CD2 4.14Å; Q201-L205 WeakPolarHBondContact O-CB 3.42Å; Q201-L205 PolarHBondContact O-N 3.35Å; L205-V207 PolarHBondContact O-N 3.2Å; L205-C208 HydrophobicContact CD1-CB 4.19Å; L205-C208 WeakPolarHBondContact O-CB 3.42Å; L205-C208 PolarHBondContact O-N 2.9Å
206P94.4Very high93.6Very high65 Ų6532.7 Ų32.742%0.42218%0.18SC..THydrogen-bonded Turntrans-57.4-30171.7-28.637.4000114.6K94 L98 L202K94-P206 PolarHBondContact NZ-O 3.08Å; L98-P206 HydrophobicContact CD2-CG 4.05Å; L202-P206 WeakPolarHBondContact O-CD 3.41Å; L202-P206 WeakPolarHBondContact O-CG 3.42Å
207V94.4Very high93.2Very high73 Ų7331.2 Ų31.244%0.44217%0.167SC..THydrogen-bonded Turntrans-77.1-30.4-179.4-175.90000112F12 Y15 L204 L205 R231F12-V207 HydrophobicContact CE2-CG1 4.41Å; Y15-V207 HydrophobicContact CE1-CB 4.04Å; Y15-V207 HydrophobicContact CE1-CG1 4.23Å; L204-V207 WeakPolarHBondContact O-CB 3.43Å; L204-V207 PolarHBondContact O-N 3.38Å; L205-V207 PolarHBondContact O-N 3.2Å; V207-R231 PolarHBondContact O-NH2 2.72Å
208C94Very high92.8Very high2 Ų233.6 Ų33.61%0.01418%0.181CC..SBendtrans-62.7156.2175.6-55.50000111.9Y15 K94 Y144 L205Y15-C208 VanDerWaalsContact CE1-SG 3.57Å; K94-C208 PolarHBondContact NZ-O 2.91Å; Y144-C208 WeakPolarHBondContact OH-CB 3.27Å; L205-C208 HydrophobicContact CD1-CB 4.19Å; L205-C208 WeakPolarHBondContact O-CB 3.42Å; L205-C208 PolarHBondContact O-N 2.9Å
209P93.5Very high92.5Very high10 Ų1037.4 Ų37.47%0.06520%0.198CC..PPolyproline II helixtrans-76.7162.4172.434.2-31.5000110.7F12 Y144 A228 L232F12-P209 HydrophobicContact CE1-CG 4.17Å; Y144-P209 WeakPolarHBondContact CE2-O 3.48Å; Y144-P209 PolarHBondContact OH-O 3.45Å; P209-A228 HydrophobicContact CB-CB 3.83Å; P209-L232 HydrophobicContact CG-CD1 3.85Å; P209-L232 HydrophobicContact CG-CD2 3.86Å; P209-L232 HydrophobicContact CG-CG 3.85Å
210E94.9Very high92.1Very high32 Ų3240.1 Ų40.115%0.1521%0.209CC..PPolyproline II helixtrans-73158.3158.1-177.555.7-87.500109G92 R93 K94 G95 P212 Y214 L215G92-E210 WeakPolarHBondContact CA-OE2 3.49Å; R93-E210 VanDerWaalsContact N-CD 3.34Å; R93-E210 PolarHBondContact N-OE1 3.05Å; R93-E210 PolarHBondContact N-OE2 3.14Å; R93-E210 VanDerWaalsContact N-OE2 3.16Å; K94-E210 HydrophobicContact CB-CB 4.42Å; K94-E210 WeakPolarHBondContact CB-OE2 3.42Å; K94-E210 PolarHBondContact N-OE1 3.37Å; K94-E210 PolarHBondContact N-OE2 3.25Å; K94-E210 VanDerWaalsContact N-OE2 3.09Å; G95-E210 PolarHBondContact N-OE2 3.31Å; E210-P212 WeakPolarHBondContact O-CD 3.48Å; E210-Y214 HydrophobicContact CG-CD1 3.81Å; E210-L215 HydrophobicContact CB-CD1 4.29Å; E210-L215 HydrophobicContact CB-CD2 4.46Å; E210-L215 HydrophobicContact CB-CG 4.36Å; E210-L215 HydrophobicContact CG-CD2 4.39Å; E210-L215 HydrophobicContact CG-CG 4.34Å
211S93.6Very high92Very high0 Ų043.8 Ų43.80%022%0.218CC..PPolyproline II helixtrans-50123178.1160.50000111.9E147 R213 Y214 L215E147-S211 WeakPolarHBondContact CB-OG 3.45Å; E147-S211 WeakPolarHBondContact OE2-CB 3.48Å; E147-S211 PolarHBondContact OE2-OG 3.5Å; S211-R213 PolarHBondContact O-N 3.32Å; S211-R213 PolarHBondContact OG-N 3.4Å; S211-Y214 PolarHBondContact O-N 2.94Å; S211-Y214 VanDerWaalsContact O-N 3.15Å; S211-Y214 PolarHBondContact OG-N 3.03Å; S211-L215 WeakPolarHBondContact O-CG 3.21Å; S211-L215 PolarHBondContact O-N 3.35Å
212P91.2Very high91.8Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-58.1-37.2174.5-24.834000112.6E210 L215 L216 A228 L229 L232 M245E210-P212 WeakPolarHBondContact O-CD 3.48Å; P212-L215 PolarHBondContact O-N 3.03Å; P212-L216 WeakPolarHBondContact O-CB 3.33Å; P212-L216 PolarHBondContact O-N 3.49Å; P212-A228 HydrophobicContact CG-CB 4.06Å; P212-L229 HydrophobicContact CB-CD1 4.46Å; P212-L229 HydrophobicContact CB-CD2 3.97Å; P212-L229 HydrophobicContact CB-CG 3.86Å; P212-L229 HydrophobicContact CG-CD2 3.92Å; P212-L229 HydrophobicContact CG-CG 4.07Å; P212-L232 HydrophobicContact CG-CD1 3.73Å; P212-M245 HydrophobicContact CB-CE 4.09Å; P212-M245 HydrophobicContact CB-SD 4.36Å
213R88Confident91.7Very high35 Ų3548.5 Ų48.513%0.13224%0.238CC..Hα-helixtrans-62.9-42.8176-167.1-174.4-168.3119.2-0.4111.8E147 S211 I217 M245 E248E147-R213 HydrophobicContact CB-CB 4.11Å; E147-R213 HydrophobicContact CG-CB 4.04Å; S211-R213 PolarHBondContact O-N 3.32Å; S211-R213 PolarHBondContact OG-N 3.4Å; R213-I217 HydrophobicContact CG-CD1 3.68Å; R213-I217 HydrophobicContact CG-CG1 4.31Å; R213-I217 WeakPolarHBondContact O-CB 3.33Å; R213-I217 PolarHBondContact O-N 2.74Å; R213-M245 HydrophobicContact CB-SD 3.84Å; R213-M245 HydrophobicContact CG-SD 4.31Å; R213-E248 IonicContact CZ-OE2 2.67Å; R213-E248 IonicContact NH1-OE1 3.82Å; R213-E248 IonicContact NH1-OE2 2.88Å; R213-E248 PolarHBondContact NH1-OE2 2.64Å; R213-E248 IonicContact NH2-OE2 3.97Å; R213-E248 PolarHBondContact NH2-OE2 3.16Å
214Y88.5Confident91.5Very high7 Ų747.3 Ų47.33%0.02723%0.23CC..Iπ-helixtrans-65.8-41.8176.2-177.9-105000112.1A88 N89 G92 E210 S211 T218 K219A88-Y214 WeakPolarHBondContact O-CE2 3.49Å; N89-Y214 WeakPolarHBondContact O-CE2 3.44Å; N89-Y214 PolarHBondContact O-OH 3.09Å; G92-Y214 VanDerWaalsContact CA-CZ 3.43Å; G92-Y214 PolarHBondContact N-OH 3.31Å; E210-Y214 HydrophobicContact CG-CD1 3.81Å; S211-Y214 PolarHBondContact O-N 2.94Å; S211-Y214 VanDerWaalsContact O-N 3.15Å; S211-Y214 PolarHBondContact OG-N 3.03Å; Y214-T218 HydrophobicContact CD2-CG2 3.94Å; Y214-T218 HydrophobicContact CE2-CG2 3.53Å; Y214-T218 CarbonylContact O-C 3.57Å; Y214-T218 WeakPolarHBondContact O-CA 3.4Å; Y214-T218 WeakPolarHBondContact O-CB 3.39Å; Y214-T218 PolarHBondContact O-N 3.49Å; Y214-K219 HydrophobicContact CD1-CG 4.31Å; Y214-K219 HydrophobicContact CE1-CD 4.38Å; Y214-K219 HydrophobicContact CE1-CG 3.93Å; Y214-K219 PolarHBondContact O-N 2.91Å; Y214-K219 VanDerWaalsContact OH-CE 3.23Å; Y214-K219 WeakPolarHBondContact OH-CE 3.31Å; Y214-K219 PolarHBondContact OH-NZ 2.87Å
215L91.4Very high91.3Very high19 Ų1946 Ų4610%0.09922%0.223CC..Iπ-helixtrans-65.3-43.8177.4-68.5171000111.8E210 S211 P212 K219 Q220 W221 E224 A225 A228E210-L215 HydrophobicContact CB-CD1 4.29Å; E210-L215 HydrophobicContact CB-CD2 4.46Å; E210-L215 HydrophobicContact CB-CG 4.36Å; E210-L215 HydrophobicContact CG-CD2 4.39Å; E210-L215 HydrophobicContact CG-CG 4.34Å; S211-L215 WeakPolarHBondContact O-CG 3.21Å; S211-L215 PolarHBondContact O-N 3.35Å; P212-L215 PolarHBondContact O-N 3.03Å; L215-K219 CarbonylContact O-C 3.55Å; L215-K219 WeakPolarHBondContact O-CB 3.35Å; L215-Q220 PolarHBondContact O-N 3.37Å; L215-Q220 VanDerWaalsContact O-N 3.16Å; L215-W221 HydrophobicContact CD2-CE3 4.06Å; L215-W221 PolarHBondContact O-N 2.87Å; L215-E224 HydrophobicContact CD1-CB 4.38Å; L215-A225 HydrophobicContact CB-CB 3.87Å; L215-A228 HydrophobicContact CD1-CB 4.2Å
216L90.5Very high91.3Very high5 Ų547 Ų473%0.02623%0.227CC..Iπ-helixtrans-71.3-61.6179.1-172.964.7000111.4P212 Q220 E222 A225 I242 M245 R246P212-L216 WeakPolarHBondContact O-CB 3.33Å; P212-L216 PolarHBondContact O-N 3.49Å; L216-Q220 WeakPolarHBondContact O-CA 3.33Å; L216-Q220 PolarHBondContact O-N 3.19Å; L216-Q220 PolarHBondContact O-NE2 3.21Å; L216-E222 HydrophobicContact CD1-CB 4.1Å; L216-E222 HydrophobicContact CD1-CG 3.91Å; L216-A225 HydrophobicContact CB-CB 3.99Å; L216-I242 HydrophobicContact CD1-CD1 4.44Å; L216-I242 HydrophobicContact CD2-CD1 4.12Å; L216-I242 HydrophobicContact CD2-CG2 4.44Å; L216-M245 HydrophobicContact CD2-CB 3.86Å; L216-M245 HydrophobicContact CD2-CE 4.02Å; L216-R246 HydrophobicContact CD2-CG 4.43Å
217I86.1Confident91.2Very high35 Ų3549 Ų4918%0.17923%0.229CC..Iπ-helixtrans-76.8-51.6-170.6-58.8-177.8000111.4R213 Q220 E249R213-I217 HydrophobicContact CG-CD1 3.68Å; R213-I217 HydrophobicContact CG-CG1 4.31Å; R213-I217 WeakPolarHBondContact O-CB 3.33Å; R213-I217 PolarHBondContact O-N 2.74Å; I217-Q220 PolarHBondContact O-NE2 3.47Å; I217-E249 HydrophobicContact CD1-CB 3.88Å; I217-E249 HydrophobicContact CD1-CG 4.17Å; I217-E249 HydrophobicContact CG1-CB 4.31Å; I217-E249 HydrophobicContact CG1-CG 4.31Å; I217-E249 HydrophobicContact CG2-CG 4.19Å
218T85.1Confident91.1Very high66 Ų6645.8 Ų45.841%0.40521%0.21SC..Iπ-helixtrans-88.1-20-169.9-40.90000113.9Y214Y214-T218 HydrophobicContact CD2-CG2 3.94Å; Y214-T218 HydrophobicContact CE2-CG2 3.53Å; Y214-T218 CarbonylContact O-C 3.57Å; Y214-T218 WeakPolarHBondContact O-CA 3.4Å; Y214-T218 WeakPolarHBondContact O-CB 3.39Å; Y214-T218 PolarHBondContact O-N 3.49Å
219K88.1Confident91Very high79 Ų7945.8 Ų45.834%0.34321%0.21SC..THydrogen-bonded Turntrans-111.1-16.8175-64.3-61.9-174-166.70114.7Y214 L215 W221Y214-K219 HydrophobicContact CD1-CG 4.31Å; Y214-K219 HydrophobicContact CE1-CD 4.38Å; Y214-K219 HydrophobicContact CE1-CG 3.93Å; Y214-K219 PolarHBondContact O-N 2.91Å; Y214-K219 VanDerWaalsContact OH-CE 3.23Å; Y214-K219 WeakPolarHBondContact OH-CE 3.31Å; Y214-K219 PolarHBondContact OH-NZ 2.87Å; L215-K219 CarbonylContact O-C 3.55Å; L215-K219 WeakPolarHBondContact O-CB 3.35Å; K219-W221 HydrophobicContact CB-CB 4.17Å; K219-W221 HydrophobicContact CB-CD2 3.76Å; K219-W221 HydrophobicContact CB-CE3 4.1Å; K219-W221 HydrophobicContact CB-CG 3.78Å; K219-W221 HydrophobicContact CG-CD2 4.39Å; K219-W221 HydrophobicContact CG-CE3 4.31Å; K219-W221 PolarHBondContact O-N 2.97Å; K219-W221 PolarHBondContact O-NE1 2.7Å
220Q89.1Confident90.9Very high131 Ų13150.2 Ų50.261%0.61223%0.225SC*.  trans56.434.8-173.7-57.3-70-43.600111.9L215 L216 I217L215-Q220 PolarHBondContact O-N 3.37Å; L215-Q220 VanDerWaalsContact O-N 3.16Å; L216-Q220 WeakPolarHBondContact O-CA 3.33Å; L216-Q220 PolarHBondContact O-N 3.19Å; L216-Q220 PolarHBondContact O-NE2 3.21Å; I217-Q220 PolarHBondContact O-NE2 3.47Å
221W93.2Very high90.7Very high148 Ų14854.3 Ų54.356%0.56124%0.24SC*.  trans-105.868.9-179-69.1-4.7000110.5L215 K219 E223 E224 A225L215-W221 HydrophobicContact CD2-CE3 4.06Å; L215-W221 PolarHBondContact O-N 2.87Å; K219-W221 HydrophobicContact CB-CB 4.17Å; K219-W221 HydrophobicContact CB-CD2 3.76Å; K219-W221 HydrophobicContact CB-CE3 4.1Å; K219-W221 HydrophobicContact CB-CG 3.78Å; K219-W221 HydrophobicContact CG-CD2 4.39Å; K219-W221 HydrophobicContact CG-CE3 4.31Å; K219-W221 PolarHBondContact O-N 2.97Å; K219-W221 PolarHBondContact O-NE1 2.7Å; W221-E223 PolarHBondContact O-N 2.99Å; W221-E224 PolarHBondContact O-N 3.4Å; W221-A225 PolarHBondContact O-N 3.17Å; W221-A225 VanDerWaalsContact O-N 3.07Å
222E91.9Very high90.5Very high54 Ų5454.3 Ų54.325%0.25224%0.24SC..Hα-helixtrans-56.9-44.6-171.6-170.6177.2157.600113.4L216 E224 A225 R226 R246L216-E222 HydrophobicContact CD1-CB 4.1Å; L216-E222 HydrophobicContact CD1-CG 3.91Å; E222-E224 PolarHBondContact O-N 3.33Å; E222-A225 WeakPolarHBondContact O-CB 3.49Å; E222-A225 PolarHBondContact O-N 2.95Å; E222-R226 HydrophobicContact CG-CG 4.35Å; E222-R226 WeakPolarHBondContact O-CB 3.29Å; E222-R226 VanDerWaalsContact O-CG 3.26Å; E222-R226 WeakPolarHBondContact O-CG 3.47Å; E222-R226 PolarHBondContact O-N 3.15Å; E222-R226 IonicContact OE1-CZ 3.39Å; E222-R226 VanDerWaalsContact OE1-CZ 3.22Å; E222-R226 IonicContact OE1-NE 3.79Å; E222-R226 PolarHBondContact OE1-NE 3.34Å; E222-R226 IonicContact OE1-NH2 2.76Å; E222-R226 PolarHBondContact OE1-NH2 3.31Å; E222-R246 IonicContact OE1-NH1 2.71Å; E222-R246 IonicContact OE1-NH2 2.8Å; E222-R246 IonicContact OE2-CZ 2.91Å; E222-R246 IonicContact OE2-NH1 3.64Å; E222-R246 IonicContact OE2-NH2 3.2Å; E222-R246 PolarHBondContact OE2-NH2 3.42Å
223E91.9Very high90.4Very high117 Ų11756 Ų5655%0.54725%0.246SC..Hα-helixtrans-65.3-36.9-179.5-76.9-54.6131.900113.7W221 R226 K227W221-E223 PolarHBondContact O-N 2.99Å; E223-R226 PolarHBondContact O-N 3.35Å; E223-R226 VanDerWaalsContact OE1-CD 3.25Å; E223-R226 WeakPolarHBondContact OE1-CD 3.49Å; E223-R226 IonicContact OE1-NE 3.74Å; E223-K227 WeakPolarHBondContact O-CB 3.39Å; E223-K227 PolarHBondContact O-N 3.07Å
224E92.4Very high90.3Very high87 Ų8758.2 Ų58.241%0.40727%0.271SS..Hα-helixtrans-72.7-31.2174.7-68.6-63123.800111.4L215 W221 E222 K227 A228L215-E224 HydrophobicContact CD1-CB 4.38Å; W221-E224 PolarHBondContact O-N 3.4Å; E222-E224 PolarHBondContact O-N 3.33Å; E224-K227 VanDerWaalsContact OE1-CD 3.26Å; E224-K227 WeakPolarHBondContact OE1-CD 3.48Å; E224-K227 IonicContact OE1-NZ 3.59Å; E224-K227 PolarHBondContact OE1-NZ 3.42Å; E224-K227 WeakPolarHBondContact OE2-CD 3.49Å; E224-K227 IonicContact OE2-NZ 3.45Å; E224-K227 PolarHBondContact OE2-NZ 3.09Å; E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.41Å; E224-A228 PolarHBondContact O-N 2.97Å
225A91.9Very high90.1Very high0 Ų060.2 Ų60.20%029%0.286CS..Hα-helixtrans-65.3-45.4170.400000111.8L215 L216 W221 E222 K227 A228 L229 I242L215-A225 HydrophobicContact CB-CB 3.87Å; L216-A225 HydrophobicContact CB-CB 3.99Å; W221-A225 PolarHBondContact O-N 3.17Å; W221-A225 VanDerWaalsContact O-N 3.07Å; E222-A225 WeakPolarHBondContact O-CB 3.49Å; E222-A225 PolarHBondContact O-N 2.95Å; A225-K227 PolarHBondContact O-N 2.99Å; A225-A228 WeakPolarHBondContact O-CB 3.36Å; A225-A228 PolarHBondContact O-N 2.7Å; A225-L229 WeakPolarHBondContact O-CG 3.36Å; A225-L229 PolarHBondContact O-N 2.86Å; A225-I242 HydrophobicContact CB-CD1 4.4Å
226R93.3Very high89.4Confident23 Ų2362 Ų629%0.08731%0.309CS..Hα-helixtrans-58.6-45.4174-72.1166.8169.3-771.3111.6E222 E223 L229 R230 V238 E239 I242E222-R226 HydrophobicContact CG-CG 4.35Å; E222-R226 WeakPolarHBondContact O-CB 3.29Å; E222-R226 VanDerWaalsContact O-CG 3.26Å; E222-R226 WeakPolarHBondContact O-CG 3.47Å; E222-R226 PolarHBondContact O-N 3.15Å; E222-R226 IonicContact OE1-CZ 3.39Å; E222-R226 VanDerWaalsContact OE1-CZ 3.22Å; E222-R226 IonicContact OE1-NE 3.79Å; E222-R226 PolarHBondContact OE1-NE 3.34Å; E222-R226 IonicContact OE1-NH2 2.76Å; E222-R226 PolarHBondContact OE1-NH2 3.31Å; E223-R226 PolarHBondContact O-N 3.35Å; E223-R226 VanDerWaalsContact OE1-CD 3.25Å; E223-R226 WeakPolarHBondContact OE1-CD 3.49Å; E223-R226 IonicContact OE1-NE 3.74Å; R226-L229 PolarHBondContact O-N 3.13Å; R226-R230 WeakPolarHBondContact O-CB 3.08Å; R226-R230 VanDerWaalsContact O-CG 3.24Å; R226-R230 WeakPolarHBondContact O-CG 3.4Å; R226-R230 PolarHBondContact O-N 2.8Å; R226-V238 HydrophobicContact CB-CG2 4.47Å; R226-E239 IonicContact CZ-OE1 2.73Å; R226-E239 IonicContact CZ-OE2 3.77Å; R226-E239 IonicContact NH1-OE1 3.69Å; R226-E239 PolarHBondContact NH1-OE1 3Å; R226-E239 IonicContact NH1-OE2 2.64Å; R226-E239 PolarHBondContact NH1-OE2 3.49Å; R226-E239 IonicContact NH2-OE1 3.18Å; R226-E239 PolarHBondContact NH2-OE1 3.46Å; R226-I242 HydrophobicContact CG-CD1 3.97Å; R226-I242 HydrophobicContact CG-CG1 4.11Å
227K92.3Very high88.9Confident105 Ų10565.8 Ų65.846%0.45734%0.336SS..Hα-helixtrans-65-38176.3-178.1-171.9179.4-167.40112.6E223 E224 A225 R231E223-K227 WeakPolarHBondContact O-CB 3.39Å; E223-K227 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact OE1-CD 3.26Å; E224-K227 WeakPolarHBondContact OE1-CD 3.48Å; E224-K227 IonicContact OE1-NZ 3.59Å; E224-K227 PolarHBondContact OE1-NZ 3.42Å; E224-K227 WeakPolarHBondContact OE2-CD 3.49Å; E224-K227 IonicContact OE2-NZ 3.45Å; E224-K227 PolarHBondContact OE2-NZ 3.09Å; A225-K227 PolarHBondContact O-N 2.99Å; K227-R231 PolarHBondContact O-N 2.8Å
228A92.2Very high89Confident6 Ų664.1 Ų64.15%0.0533%0.328CS..Hα-helixtrans-64.5-47.6172.100000111.6P209 P212 L215 E224 A225 R231 L232P209-A228 HydrophobicContact CB-CB 3.83Å; P212-A228 HydrophobicContact CG-CB 4.06Å; L215-A228 HydrophobicContact CD1-CB 4.2Å; E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.41Å; E224-A228 PolarHBondContact O-N 2.97Å; A225-A228 WeakPolarHBondContact O-CB 3.36Å; A225-A228 PolarHBondContact O-N 2.7Å; A228-R231 PolarHBondContact O-N 3.04Å; A228-L232 WeakPolarHBondContact O-CG 3.3Å; A228-L232 PolarHBondContact O-N 2.75Å
229L91.4Very high89.2Confident2 Ų265.7 Ų65.71%0.0133%0.331CS..Hα-helixtrans-60.8-46.5175.6-73.2167.5000112.2P212 A225 R226 R231 L232 R233 V238 D241 I242 M245P212-L229 HydrophobicContact CB-CD1 4.46Å; P212-L229 HydrophobicContact CB-CD2 3.97Å; P212-L229 HydrophobicContact CB-CG 3.86Å; P212-L229 HydrophobicContact CG-CD2 3.92Å; P212-L229 HydrophobicContact CG-CG 4.07Å; A225-L229 WeakPolarHBondContact O-CG 3.36Å; A225-L229 PolarHBondContact O-N 2.86Å; R226-L229 PolarHBondContact O-N 3.13Å; L229-R231 PolarHBondContact O-N 2.95Å; L229-L232 PolarHBondContact O-N 3.12Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 WeakPolarHBondContact O-CG 3.4Å; L229-R233 PolarHBondContact O-N 3.04Å; L229-V238 HydrophobicContact CB-CB 3.84Å; L229-V238 HydrophobicContact CB-CG1 3.7Å; L229-V238 HydrophobicContact CB-CG2 4.44Å; L229-V238 HydrophobicContact CD1-CB 4.22Å; L229-D241 HydrophobicContact CD1-CB 3.71Å; L229-D241 HydrophobicContact CD2-CB 3.87Å; L229-D241 HydrophobicContact CG-CB 4.38Å; L229-I242 HydrophobicContact CD1-CD1 3.6Å; L229-I242 HydrophobicContact CD1-CG1 3.8Å; L229-M245 HydrophobicContact CD1-CE 3.79Å
230R91.9Very high89.1Confident103 Ų10369.8 Ų69.839%0.38935%0.351SS..Hα-helixtrans-56.3-37.6178.8-74.2168.9-176.3149.22.5111.5R226 A234 V238R226-R230 WeakPolarHBondContact O-CB 3.08Å; R226-R230 VanDerWaalsContact O-CG 3.24Å; R226-R230 WeakPolarHBondContact O-CG 3.4Å; R226-R230 PolarHBondContact O-N 2.8Å; R230-A234 WeakPolarHBondContact O-CA 3.14Å; R230-A234 PolarHBondContact O-N 2.86Å; R230-A234 VanDerWaalsContact O-N 3.08Å; R230-V238 HydrophobicContact CB-CG1 4.47Å; R230-V238 HydrophobicContact CG-CG1 3.79Å; R230-V238 HydrophobicContact CG-CG2 4.01Å
231R90.4Very high88.9Confident119 Ų11964.5 Ų64.545%0.44933%0.327SS..Hα-helixtrans-70.8-41.4172.7-69.3-179.969.1-162.8-0.9113.1F12 V207 K227 A228 L229F12-R231 HydrophobicContact CD1-CB 3.88Å; F12-R231 VanDerWaalsContact CD1-O 3.3Å; F12-R231 WeakPolarHBondContact CD1-O 3.39Å; F12-R231 HydrophobicContact CE1-CB 3.74Å; F12-R231 VanDerWaalsContact CZ-CZ 3.49Å; V207-R231 PolarHBondContact O-NH2 2.72Å; K227-R231 PolarHBondContact O-N 2.8Å; A228-R231 PolarHBondContact O-N 3.04Å; L229-R231 PolarHBondContact O-N 2.95Å
232L90.2Very high88.7Confident0 Ų057.6 Ų57.60%030%0.301CS..Hα-helixtrans-73.4-36.5-178.4-71.7165.9000113.6T10 F12 L13 I148 P209 P212 A228 L229T10-L232 VanDerWaalsContact CG2-O 3.22Å; T10-L232 WeakPolarHBondContact CG2-O 3.33Å; T10-L232 PolarHBondContact OG1-O 3.02Å; F12-L232 HydrophobicContact CD1-CD2 4.22Å; F12-L232 HydrophobicContact CE1-CD2 4.38Å; L13-L232 HydrophobicContact CD1-CD2 4.18Å; I148-L232 HydrophobicContact CB-CD1 3.87Å; I148-L232 HydrophobicContact CB-CD2 4.25Å; I148-L232 HydrophobicContact CG2-CD1 4.12Å; P209-L232 HydrophobicContact CG-CD1 3.85Å; P209-L232 HydrophobicContact CG-CD2 3.86Å; P209-L232 HydrophobicContact CG-CG 3.85Å; P212-L232 HydrophobicContact CG-CD1 3.73Å; A228-L232 WeakPolarHBondContact O-CG 3.3Å; A228-L232 PolarHBondContact O-N 2.75Å; L229-L232 PolarHBondContact O-N 3.12Å
233R88.3Confident88.6Confident36 Ų3659 Ų5914%0.13631%0.307CS..Hα-helixtrans-91.3-15.9-178.6-58.3-67.5-179.8-96.5-2.3113.3T10 I148 A149 L229 S235 D241T10-R233 WeakPolarHBondContact CG2-O 3.38Å; I148-R233 PolarHBondContact O-NH1 3.41Å; A149-R233 PolarHBondContact O-NH2 2.89Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 WeakPolarHBondContact O-CG 3.4Å; L229-R233 PolarHBondContact O-N 3.04Å; R233-S235 PolarHBondContact O-N 3.31Å; R233-S235 VanDerWaalsContact O-N 3.16Å; R233-D241 WeakPolarHBondContact CD-OD2 3.25Å; R233-D241 WeakPolarHBondContact CG-OD2 3.45Å; R233-D241 IonicContact CZ-OD1 2.77Å; R233-D241 IonicContact CZ-OD2 2.75Å; R233-D241 VanDerWaalsContact NE-CG 3.28Å; R233-D241 IonicContact NE-OD1 3.18Å; R233-D241 PolarHBondContact NE-OD1 3.41Å; R233-D241 IonicContact NE-OD2 3.18Å; R233-D241 PolarHBondContact NE-OD2 2.89Å; R233-D241 IonicContact NH2-OD1 2.7Å; R233-D241 PolarHBondContact NH2-OD1 3.44Å; R233-D241 IonicContact NH2-OD2 2.74Å
234A87.1Confident88.3Confident80 Ų8055.2 Ų55.266%0.66129%0.29SS*.SBendtrans53.327.1-173.400000113.9T10 R230T10-A234 HydrophobicContact CG2-CB 3.91Å; R230-A234 WeakPolarHBondContact O-CA 3.14Å; R230-A234 PolarHBondContact O-N 2.86Å; R230-A234 VanDerWaalsContact O-N 3.08Å
235S83.6Confident88Confident49 Ų4951.3 Ų51.334%0.34327%0.271SS..SBendtrans-131.9155.9178.7-176.10000110.6R233 S237R233-S235 PolarHBondContact O-N 3.31Å; R233-S235 VanDerWaalsContact O-N 3.16Å; S235-S237 PolarHBondContact OG-N 3.16Å; S235-S237 VanDerWaalsContact OG-N 3.14Å; S235-S237 PolarHBondContact OG-OG 3.4Å
236G75.8Confident87.8Confident56 Ų5655 Ų5558%0.57729%0.286SS*.SBendtrans-76.1-25.6167.700000113.5V238G236-V238 VanDerWaalsContact C-N 3.34Å; G236-V238 PolarHBondContact O-N 3.14Å
237S80.8Confident87.5Confident85 Ų8556.1 Ų56.159%0.59430%0.299SS*.  trans-7973.6-176.763.20000111.9S235S235-S237 PolarHBondContact OG-N 3.16Å; S235-S237 VanDerWaalsContact OG-N 3.14Å; S235-S237 PolarHBondContact OG-OG 3.4Å
238V87.5Confident86.9Confident0 Ų053.1 Ų53.10%029%0.287CS..  trans-104.84.6179.3-59.30000113.4R226 L229 R230 G236 E240 D241 I242R226-V238 HydrophobicContact CB-CG2 4.47Å; L229-V238 HydrophobicContact CB-CB 3.84Å; L229-V238 HydrophobicContact CB-CG1 3.7Å; L229-V238 HydrophobicContact CB-CG2 4.44Å; L229-V238 HydrophobicContact CD1-CB 4.22Å; R230-V238 HydrophobicContact CB-CG1 4.47Å; R230-V238 HydrophobicContact CG-CG1 3.79Å; R230-V238 HydrophobicContact CG-CG2 4.01Å; G236-V238 VanDerWaalsContact C-N 3.34Å; G236-V238 PolarHBondContact O-N 3.14Å; V238-E240 VanDerWaalsContact C-N 3.31Å; V238-E240 PolarHBondContact O-N 3.28Å; V238-D241 PolarHBondContact O-N 3.01Å; V238-I242 WeakPolarHBondContact O-CG1 3.31Å; V238-I242 PolarHBondContact O-N 2.9Å
239E89Confident86.4Confident100 Ų10054.3 Ų54.347%0.46729%0.291SS..Hα-helixtrans-61.7-38.4-178.9-122.655.1-153.100112.2R226 I242 E243R226-E239 IonicContact CZ-OE1 2.73Å; R226-E239 IonicContact CZ-OE2 3.77Å; R226-E239 IonicContact NH1-OE1 3.69Å; R226-E239 PolarHBondContact NH1-OE1 3Å; R226-E239 IonicContact NH1-OE2 2.64Å; R226-E239 PolarHBondContact NH1-OE2 3.49Å; R226-E239 IonicContact NH2-OE1 3.18Å; R226-E239 PolarHBondContact NH2-OE1 3.46Å; E239-I242 PolarHBondContact O-N 3.4Å; E239-E243 PolarHBondContact O-N 2.86Å
240E85.9Confident86.1Confident165 Ų16560.4 Ų60.477%0.77131%0.314SS*.Hα-helixtrans-65.8-46176.9-65.2175.1-170.600111.3V238 I242 E243 E244V238-E240 VanDerWaalsContact C-N 3.31Å; V238-E240 PolarHBondContact O-N 3.28Å; E240-I242 VanDerWaalsContact C-N 3.3Å; E240-I242 PolarHBondContact O-N 2.92Å; E240-E243 PolarHBondContact O-N 3.01Å; E240-E244 WeakPolarHBondContact O-CB 3.36Å; E240-E244 PolarHBondContact O-N 3.27Å
241D85.9Confident85.5Confident20 Ų2057.7 Ų57.711%0.10731%0.314CS..Hα-helixtrans-59.4-38.1173.4-77.9-73.4000112.3L229 R233 V238 M245L229-D241 HydrophobicContact CD1-CB 3.71Å; L229-D241 HydrophobicContact CD2-CB 3.87Å; L229-D241 HydrophobicContact CG-CB 4.38Å; R233-D241 WeakPolarHBondContact CD-OD2 3.25Å; R233-D241 WeakPolarHBondContact CG-OD2 3.45Å; R233-D241 IonicContact CZ-OD1 2.77Å; R233-D241 IonicContact CZ-OD2 2.75Å; R233-D241 VanDerWaalsContact NE-CG 3.28Å; R233-D241 IonicContact NE-OD1 3.18Å; R233-D241 PolarHBondContact NE-OD1 3.41Å; R233-D241 IonicContact NE-OD2 3.18Å; R233-D241 PolarHBondContact NE-OD2 2.89Å; R233-D241 IonicContact NH2-OD1 2.7Å; R233-D241 PolarHBondContact NH2-OD1 3.44Å; R233-D241 IonicContact NH2-OD2 2.74Å; V238-D241 PolarHBondContact O-N 3.01Å; D241-M245 WeakPolarHBondContact O-CE 3.41Å; D241-M245 WeakPolarHBondContact O-CG 3.25Å; D241-M245 PolarHBondContact O-N 3.48Å; D241-M245 VanDerWaalsContact O-N 3.14Å
242I88.9Confident84.7Confident3 Ų355.1 Ų55.12%0.01531%0.307CS..Hα-helixtrans-70-47.8179.4-70.3-70.3000111L216 A225 R226 L229 V238 E239 E240 M245 R246L216-I242 HydrophobicContact CD1-CD1 4.44Å; L216-I242 HydrophobicContact CD2-CD1 4.12Å; L216-I242 HydrophobicContact CD2-CG2 4.44Å; A225-I242 HydrophobicContact CB-CD1 4.4Å; R226-I242 HydrophobicContact CG-CD1 3.97Å; R226-I242 HydrophobicContact CG-CG1 4.11Å; L229-I242 HydrophobicContact CD1-CD1 3.6Å; L229-I242 HydrophobicContact CD1-CG1 3.8Å; V238-I242 WeakPolarHBondContact O-CG1 3.31Å; V238-I242 PolarHBondContact O-N 2.9Å; E239-I242 PolarHBondContact O-N 3.4Å; E240-I242 VanDerWaalsContact C-N 3.3Å; E240-I242 PolarHBondContact O-N 2.92Å; I242-M245 HydrophobicContact CD1-CE 4.14Å; I242-M245 PolarHBondContact O-N 3.21Å; I242-R246 PolarHBondContact O-N 2.9Å
243E89.1Confident84.1Confident83 Ų8361.6 Ų61.639%0.38834%0.337SS..Hα-helixtrans-74.7-28.3-177.9-168.652.7-147.100112.2E239 E240 R246 A247 R250E239-E243 PolarHBondContact O-N 2.86Å; E240-E243 PolarHBondContact O-N 3.01Å; E243-R246 PolarHBondContact O-N 3.11Å; E243-R246 VanDerWaalsContact OE2-CD 3.32Å; E243-R246 WeakPolarHBondContact OE2-CD 3.36Å; E243-A247 WeakPolarHBondContact O-CB 3.47Å; E243-A247 PolarHBondContact O-N 2.88Å; E243-R250 IonicContact OE1-CZ 3.28Å; E243-R250 IonicContact OE1-NH1 2.67Å; E243-R250 PolarHBondContact OE1-NH1 3.38Å; E243-R250 IonicContact OE1-NH2 3.64Å; E243-R250 PolarHBondContact OE1-NH2 3.37Å; E243-R250 IonicContact OE2-NH1 2.94Å
244E86.5Confident83.4Confident37 Ų3764.6 Ų64.617%0.17336%0.364CS..Hα-helixtrans-57.8-52.7165.2-178.6-139.9118.100111.1L151 R154 E240 R246 A247 E248L151-E244 HydrophobicContact CD1-CG 3.8Å; L151-E244 VanDerWaalsContact CD1-OE2 3.26Å; L151-E244 WeakPolarHBondContact CD1-OE2 3.35Å; L151-E244 HydrophobicContact CG-CG 4.39Å; L151-E244 VanDerWaalsContact CG-OE2 3.28Å; L151-E244 WeakPolarHBondContact CG-OE2 3.49Å; R154-E244 IonicContact CZ-OE1 3.79Å; R154-E244 IonicContact NH1-OE1 3.99Å; R154-E244 PolarHBondContact NH1-OE1 3.01Å; R154-E244 IonicContact NH2-OE1 3.23Å; R154-E244 PolarHBondContact NH2-OE1 3.47Å; R154-E244 IonicContact NH2-OE2 2.84Å; E240-E244 WeakPolarHBondContact O-CB 3.36Å; E240-E244 PolarHBondContact O-N 3.27Å; E244-R246 VanDerWaalsContact C-N 3.28Å; E244-R246 PolarHBondContact O-N 3.16Å; E244-A247 WeakPolarHBondContact O-CB 3.46Å; E244-A247 PolarHBondContact O-N 3.36Å; E244-A247 VanDerWaalsContact O-N 3.08Å; E244-E248 PolarHBondContact O-N 3.46Å
245M86.6Confident82.9Confident5 Ų563.6 Ų63.63%0.02535%0.346CS..Hα-helixtrans-63.4-33.6178.7-74.9-172.5-69.400112.5P212 R213 L216 L229 D241 I242 E249P212-M245 HydrophobicContact CB-CE 4.09Å; P212-M245 HydrophobicContact CB-SD 4.36Å; R213-M245 HydrophobicContact CB-SD 3.84Å; R213-M245 HydrophobicContact CG-SD 4.31Å; L216-M245 HydrophobicContact CD2-CB 3.86Å; L216-M245 HydrophobicContact CD2-CE 4.02Å; L229-M245 HydrophobicContact CD1-CE 3.79Å; D241-M245 WeakPolarHBondContact O-CE 3.41Å; D241-M245 WeakPolarHBondContact O-CG 3.25Å; D241-M245 PolarHBondContact O-N 3.48Å; D241-M245 VanDerWaalsContact O-N 3.14Å; I242-M245 HydrophobicContact CD1-CE 4.14Å; I242-M245 PolarHBondContact O-N 3.21Å; M245-E249 WeakPolarHBondContact O-CB 3.46Å; M245-E249 PolarHBondContact O-N 3.35Å
246R87.8Confident82.3Confident79 Ų7965.8 Ų65.830%0.29836%0.361SS..Hα-helixtrans-68.5-37.1171-75.8-179.8159.2148.84.2112.8L216 E222 I242 E243 E244 E249 R250L216-R246 HydrophobicContact CD2-CG 4.43Å; E222-R246 IonicContact OE1-NH1 2.71Å; E222-R246 IonicContact OE1-NH2 2.8Å; E222-R246 IonicContact OE2-CZ 2.91Å; E222-R246 IonicContact OE2-NH1 3.64Å; E222-R246 IonicContact OE2-NH2 3.2Å; E222-R246 PolarHBondContact OE2-NH2 3.42Å; I242-R246 PolarHBondContact O-N 2.9Å; E243-R246 PolarHBondContact O-N 3.11Å; E243-R246 VanDerWaalsContact OE2-CD 3.32Å; E243-R246 WeakPolarHBondContact OE2-CD 3.36Å; E244-R246 VanDerWaalsContact C-N 3.28Å; E244-R246 PolarHBondContact O-N 3.16Å; R246-E249 PolarHBondContact O-N 2.78Å; R246-R250 WeakPolarHBondContact O-CB 3.41Å; R246-R250 VanDerWaalsContact O-CG 3.3Å; R246-R250 WeakPolarHBondContact O-CG 3.47Å; R246-R250 PolarHBondContact O-N 3.44Å
247A85.8Confident82Confident45 Ų4569.4 Ų69.437%0.37236%0.362SS..Hα-helixtrans-66.6-43.3174.600000111.4E243 E244 E249 R250 A251E243-A247 WeakPolarHBondContact O-CB 3.47Å; E243-A247 PolarHBondContact O-N 2.88Å; E244-A247 WeakPolarHBondContact O-CB 3.46Å; E244-A247 PolarHBondContact O-N 3.36Å; E244-A247 VanDerWaalsContact O-N 3.08Å; A247-E249 VanDerWaalsContact C-N 3.35Å; A247-R250 PolarHBondContact O-N 2.99Å; A247-A251 WeakPolarHBondContact O-CB 3.3Å; A247-A251 PolarHBondContact O-N 2.79Å
248E80.1Confident81.8Confident42 Ų4266.9 Ų66.920%0.19634%0.342CS..Hα-helixtrans-60.3-41.6170.4-78.3-155.1-145.900112.2R154 R213 E244 A251 Q252R154-E248 IonicContact NH1-OE1 2.87Å; R154-E248 PolarHBondContact NH1-OE1 3.13Å; R213-E248 IonicContact CZ-OE2 2.67Å; R213-E248 IonicContact NH1-OE1 3.82Å; R213-E248 IonicContact NH1-OE2 2.88Å; R213-E248 PolarHBondContact NH1-OE2 2.64Å; R213-E248 IonicContact NH2-OE2 3.97Å; R213-E248 PolarHBondContact NH2-OE2 3.16Å; E244-E248 PolarHBondContact O-N 3.46Å; E248-A251 PolarHBondContact O-N 3.34Å; E248-Q252 VanDerWaalsContact O-CB 3.27Å; E248-Q252 WeakPolarHBondContact O-CB 3.35Å; E248-Q252 PolarHBondContact O-N 3.18Å
249E82.6Confident81.5Confident31 Ų3168.8 Ų68.815%0.14536%0.355CS..Hα-helixtrans-63.3-49.9176.8-172.8-179.6-174.200111.7I217 M245 R246 A247 A251 Q252 Q253I217-E249 HydrophobicContact CD1-CB 3.88Å; I217-E249 HydrophobicContact CD1-CG 4.17Å; I217-E249 HydrophobicContact CG1-CB 4.31Å; I217-E249 HydrophobicContact CG1-CG 4.31Å; I217-E249 HydrophobicContact CG2-CG 4.19Å; M245-E249 WeakPolarHBondContact O-CB 3.46Å; M245-E249 PolarHBondContact O-N 3.35Å; R246-E249 PolarHBondContact O-N 2.78Å; A247-E249 VanDerWaalsContact C-N 3.35Å; E249-A251 VanDerWaalsContact C-N 3.3Å; E249-A251 PolarHBondContact O-N 3.13Å; E249-Q252 CarbonylContact O-C 3.51Å; E249-Q252 PolarHBondContact O-N 2.64Å; E249-Q252 VanDerWaalsContact O-N 3.1Å; E249-Q253 HydrophobicContact CG-CG 4.32Å; E249-Q253 WeakPolarHBondContact O-CG 3.34Å; E249-Q253 PolarHBondContact O-N 3.33Å; E249-Q253 PolarHBondContact OE1-NE2 3.1Å
250R84.9Confident81.2Confident130 Ų13067 Ų6749%0.49135%0.351SS..Hα-helixtrans-60.7-39.7178.3-70.3179.4-56.1-118.41.8111.7E243 R246 A247 Q253 S254E243-R250 IonicContact OE1-CZ 3.28Å; E243-R250 IonicContact OE1-NH1 2.67Å; E243-R250 PolarHBondContact OE1-NH1 3.38Å; E243-R250 IonicContact OE1-NH2 3.64Å; E243-R250 PolarHBondContact OE1-NH2 3.37Å; E243-R250 IonicContact OE2-NH1 2.94Å; R246-R250 WeakPolarHBondContact O-CB 3.41Å; R246-R250 VanDerWaalsContact O-CG 3.3Å; R246-R250 WeakPolarHBondContact O-CG 3.47Å; R246-R250 PolarHBondContact O-N 3.44Å; A247-R250 PolarHBondContact O-N 2.99Å; R250-Q253 PolarHBondContact O-N 3.2Å; R250-S254 WeakPolarHBondContact O-CB 3.28Å; R250-S254 PolarHBondContact O-N 3.49Å
251A78.2Confident81.1Confident47 Ų4765.2 Ų65.239%0.38834%0.344SS..Hα-helixtrans-62.8-46.1172.600000111.4A247 E248 E249 Q253 S254 E255A247-A251 WeakPolarHBondContact O-CB 3.3Å; A247-A251 PolarHBondContact O-N 2.79Å; E248-A251 PolarHBondContact O-N 3.34Å; E249-A251 VanDerWaalsContact C-N 3.3Å; E249-A251 PolarHBondContact O-N 3.13Å; A251-Q253 VanDerWaalsContact C-N 3.34Å; A251-Q253 PolarHBondContact O-N 2.95Å; A251-S254 PolarHBondContact O-N 3.38Å; A251-S254 VanDerWaalsContact O-N 3.12Å; A251-S254 PolarHBondContact O-OG 3.31Å; A251-E255 PolarHBondContact O-N 3.46Å
252Q74.7Confident81.1Confident64 Ų6469 Ų6930%0.29936%0.361SS..Hα-helixtrans-67.5-30179.2-172.7171.18.500113.4E248 E249 E255 Q400E248-Q252 VanDerWaalsContact O-CB 3.27Å; E248-Q252 WeakPolarHBondContact O-CB 3.35Å; E248-Q252 PolarHBondContact O-N 3.18Å; E249-Q252 CarbonylContact O-C 3.51Å; E249-Q252 PolarHBondContact O-N 2.64Å; E249-Q252 VanDerWaalsContact O-N 3.1Å; Q252-E255 VanDerWaalsContact O-O 3.14Å; Q252-Q400 HydrophobicContact CB-CB 4.39Å; Q252-Q400 HydrophobicContact CG-CB 4.22Å
253Q76.4Confident81Confident136 Ų13668.8 Ų68.864%0.63636%0.36SS*.Hα-helixtrans-75.9-23.6171.7-69.8-179.210.400112.8E249 R250 A251E249-Q253 HydrophobicContact CG-CG 4.32Å; E249-Q253 WeakPolarHBondContact O-CG 3.34Å; E249-Q253 PolarHBondContact O-N 3.33Å; E249-Q253 PolarHBondContact OE1-NE2 3.1Å; R250-Q253 PolarHBondContact O-N 3.2Å; A251-Q253 VanDerWaalsContact C-N 3.34Å; A251-Q253 PolarHBondContact O-N 2.95Å
254S74.8Confident80.9Confident99 Ų9969 Ų6969%0.69236%0.363SS*.Hα-helixtrans-78.7-22.9176.477.60000113.4R250 A251R250-S254 WeakPolarHBondContact O-CB 3.28Å; R250-S254 PolarHBondContact O-N 3.49Å; A251-S254 PolarHBondContact O-N 3.38Å; A251-S254 VanDerWaalsContact O-N 3.12Å; A251-S254 PolarHBondContact O-OG 3.31Å
255E75.3Confident81Confident60 Ų6070.9 Ų70.928%0.2838%0.38SS..SBendtrans-83.8136.3165-71.9-174-13200110A251 Q252 S399 Q400 G401A251-E255 PolarHBondContact O-N 3.46Å; Q252-E255 VanDerWaalsContact O-O 3.14Å; E255-S399 WeakPolarHBondContact OE1-CB 3.49Å; E255-S399 WeakPolarHBondContact OE2-CB 3.26Å; E255-S399 PolarHBondContact OE2-OG 3.29Å; E255-Q400 PolarHBondContact OE1-N 2.91Å; E255-Q400 PolarHBondContact OE2-N 3.03Å; E255-G401 PolarHBondContact OE2-N 3.44Å
256S71.2Confident80.9Confident95 Ų9572.2 Ų72.266%0.66439%0.389SS*.  trans-67.9137.1170.451.80000110.7I258S256-I258 WeakPolarHBondContact O-CG1 3.4Å; S256-I258 PolarHBondContact O-N 3.42Å
257H70.1Confident80.7Confident131 Ų13173.6 Ų73.661%0.60641%0.409SS*.  trans-75.297.2177.8-177.2-67.4000110.8S259H257-S259 PolarHBondContact O-N 3.35Å
258I76.6Confident80.7Confident33 Ų3375 Ų7517%0.16941%0.413CS..  trans-73.5120.9-174.8-55.1-173.3000111S256 E262 L263 L269 P402 S405S256-I258 WeakPolarHBondContact O-CG1 3.4Å; S256-I258 PolarHBondContact O-N 3.42Å; I258-E262 HydrophobicContact CG2-CB 3.63Å; I258-L263 HydrophobicContact CG2-CB 4.09Å; I258-L269 HydrophobicContact CD1-CD1 3.46Å; I258-L269 VanDerWaalsContact CD1-CD1 3.46Å; I258-L269 HydrophobicContact CG2-CD1 4.42Å; I258-P402 HydrophobicContact CB-CB 4.37Å; I258-P402 HydrophobicContact CD1-CB 4.25Å; I258-P402 HydrophobicContact CD1-CG 4.43Å; I258-S405 PolarHBondContact O-OG 3.23Å
259S81.7Confident80.9Confident39 Ų3973.8 Ų73.827%0.27341%0.407SS..  trans-67.6157.8177.683.30000112H257 M261 E262 L263H257-S259 PolarHBondContact O-N 3.35Å; S259-M261 PolarHBondContact O-N 3.45Å; S259-M261 VanDerWaalsContact O-N 3.12Å; S259-M261 PolarHBondContact OG-N 2.9Å; S259-E262 WeakPolarHBondContact CB-OE1 3.29Å; S259-E262 PolarHBondContact N-OE2 2.88Å; S259-E262 PolarHBondContact O-N 3.49Å; S259-E262 PolarHBondContact OG-N 3.26Å; S259-E262 PolarHBondContact OG-OE1 3.31Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 PolarHBondContact O-N 3.47Å
260T82.3Confident81.2Confident62 Ų6279.2 Ų79.238%0.3843%0.427SS..Hα-helixtrans-57-29.7178.4-39.90000112.6I264 I409T260-I264 WeakPolarHBondContact O-CD1 3.48Å; T260-I264 VanDerWaalsContact O-CG1 3.28Å; T260-I264 WeakPolarHBondContact O-CG1 3.25Å; T260-I264 PolarHBondContact O-N 3.14Å; T260-I409 HydrophobicContact CG2-CD1 3.75Å; T260-I409 HydrophobicContact CG2-CG1 3.77Å
261M84.5Confident81.5Confident128 Ų12874.8 Ų74.863%0.63142%0.415SS*.Hα-helixtrans-76.1-49.4177.3-171.4-80.2-178.300111.3S259 L263 I264 C265S259-M261 PolarHBondContact O-N 3.45Å; S259-M261 VanDerWaalsContact O-N 3.12Å; S259-M261 PolarHBondContact OG-N 2.9Å; M261-L263 PolarHBondContact O-N 2.88Å; M261-I264 PolarHBondContact O-N 3.17Å; M261-I264 VanDerWaalsContact O-N 3.14Å; M261-C265 PolarHBondContact O-N 2.92Å
262E85.2Confident82.1Confident99 Ų9972.6 Ų72.646%0.46340%0.397SS..Hα-helixtrans-57-39.5174.4-71.4140-127.300111.9I258 S259 I264 C265 S266I258-E262 HydrophobicContact CG2-CB 3.63Å; S259-E262 WeakPolarHBondContact CB-OE1 3.29Å; S259-E262 PolarHBondContact N-OE2 2.88Å; S259-E262 PolarHBondContact O-N 3.49Å; S259-E262 PolarHBondContact OG-N 3.26Å; S259-E262 PolarHBondContact OG-OE1 3.31Å; E262-I264 VanDerWaalsContact C-N 3.33Å; E262-I264 PolarHBondContact O-N 3.47Å; E262-C265 PolarHBondContact O-N 3.21Å; E262-S266 WeakPolarHBondContact O-CB 3.43Å; E262-S266 PolarHBondContact O-N 3.44Å
263L85.8Confident83Confident0 Ų070 Ų700%039%0.385CS..Hα-helixtrans-61.3-39.8178.3-179.862000112.5I258 S259 M261 L269 L273 F398 P402 A406 I409I258-L263 HydrophobicContact CG2-CB 4.09Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 PolarHBondContact O-N 3.47Å; M261-L263 PolarHBondContact O-N 2.88Å; L263-L269 HydrophobicContact CD1-CB 3.73Å; L263-L269 HydrophobicContact CD1-CD1 3.79Å; L263-L269 HydrophobicContact CD1-CG 4.36Å; L263-L273 HydrophobicContact CD2-CD1 4.38Å; L263-L273 HydrophobicContact CG-CD2 4.33Å; L263-F398 HydrophobicContact CD1-CD1 4.48Å; L263-F398 HydrophobicContact CD1-CE1 3.85Å; L263-P402 HydrophobicContact CD1-CB 3.89Å; L263-A406 HydrophobicContact CD2-CB 3.9Å; L263-A406 VanDerWaalsContact CD2-N 3.33Å; L263-I409 HydrophobicContact CD2-CD1 4Å
264I88.4Confident83.9Confident86 Ų8667.1 Ų67.144%0.44137%0.373SS..Hα-helixtrans-74-37.4178-68.8166.2000111T260 M261 E262 L273 I409T260-I264 WeakPolarHBondContact O-CD1 3.48Å; T260-I264 VanDerWaalsContact O-CG1 3.28Å; T260-I264 WeakPolarHBondContact O-CG1 3.25Å; T260-I264 PolarHBondContact O-N 3.14Å; M261-I264 PolarHBondContact O-N 3.17Å; M261-I264 VanDerWaalsContact O-N 3.14Å; E262-I264 VanDerWaalsContact C-N 3.33Å; E262-I264 PolarHBondContact O-N 3.47Å; I264-L273 HydrophobicContact CG1-CD2 3.93Å; I264-I409 HydrophobicContact CD1-CD1 4.07Å; I264-I409 HydrophobicContact CG1-CD1 3.94Å
265C87.8Confident84.8Confident78 Ų7862.7 Ų62.753%0.52734%0.341SS..Hα-helixtrans-79.6-27.1-179.6-72.30000114.1M261 E262 P267M261-C265 PolarHBondContact O-N 2.92Å; E262-C265 PolarHBondContact O-N 3.21Å; C265-P267 VanDerWaalsContact O-CD 3.27Å; C265-P267 WeakPolarHBondContact O-CD 3.43Å
266S84.8Confident85.7Confident32 Ų3259.9 Ų59.922%0.22433%0.329CS..  trans-64.3114.9-175.6175.50000112.6E262 T268 L269 R270E262-S266 WeakPolarHBondContact O-CB 3.43Å; E262-S266 PolarHBondContact O-N 3.44Å; S266-T268 PolarHBondContact O-N 2.88Å; S266-T268 VanDerWaalsContact O-N 3.13Å; S266-L269 PolarHBondContact O-N 2.96Å; S266-R270 VanDerWaalsContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CB 3.19Å; S266-R270 PolarHBondContact O-N 2.9Å
267P84.6Confident86.9Confident108 Ų10857.6 Ų57.670%0.70131%0.308SS*.THydrogen-bonded Turntrans-61-25.9-179.5-24.735.6000113.9C265 P271C265-P267 VanDerWaalsContact O-CD 3.27Å; C265-P267 WeakPolarHBondContact O-CD 3.43Å; P267-P271 VanDerWaalsContact O-CD 3.23Å; P267-P271 WeakPolarHBondContact O-CD 3.5Å
268T84.3Confident88.1Confident76 Ų7652.6 Ų52.647%0.46629%0.287SS..THydrogen-bonded Turntrans-81.4-32.5-179-52.50000112.7S266 L467S266-T268 PolarHBondContact O-N 2.88Å; S266-T268 VanDerWaalsContact O-N 3.13Å; T268-L467 HydrophobicContact CG2-CD1 4.22Å
269L86Confident89Confident15 Ų1551 Ų518%0.07928%0.279CS..THydrogen-bonded Turntrans-98.4-17.5-177.2-58.5174.8000113.1I258 L263 S266 P272 L273 F398 P402I258-L269 HydrophobicContact CD1-CD1 3.46Å; I258-L269 VanDerWaalsContact CD1-CD1 3.46Å; I258-L269 HydrophobicContact CG2-CD1 4.42Å; L263-L269 HydrophobicContact CD1-CB 3.73Å; L263-L269 HydrophobicContact CD1-CD1 3.79Å; L263-L269 HydrophobicContact CD1-CG 4.36Å; S266-L269 PolarHBondContact O-N 2.96Å; L269-P272 VanDerWaalsContact O-CD 3.23Å; L269-P272 WeakPolarHBondContact O-CD 3.45Å; L269-P272 VanDerWaalsContact O-CG 3.28Å; L269-P272 WeakPolarHBondContact O-CG 3.35Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 PolarHBondContact O-N 3.08Å; L269-F398 HydrophobicContact CB-CE1 4.44Å; L269-P402 HydrophobicContact CD1-CB 4.16Å; L269-P402 HydrophobicContact CD1-CG 4.44Å
270R88.9Confident89.6Confident146 Ų14649.2 Ų49.255%0.55127%0.266SS*.Hα-helixtrans-59.6-37.2175.5-172.8172179.6-172.51.6114.1S266 L273 I274S266-R270 VanDerWaalsContact O-CB 3.26Å; S266-R270 WeakPolarHBondContact O-CB 3.19Å; S266-R270 PolarHBondContact O-N 2.9Å; R270-L273 PolarHBondContact O-N 2.9Å; R270-I274 HydrophobicContact CG-CD1 3.84Å; R270-I274 HydrophobicContact CG-CG1 4.31Å; R270-I274 WeakPolarHBondContact O-CB 3.45Å; R270-I274 VanDerWaalsContact O-CG1 3.26Å; R270-I274 WeakPolarHBondContact O-CG1 3.25Å; R270-I274 PolarHBondContact O-N 3.03Å
271P90.8Very high90.4Very high36 Ų3648.4 Ų48.423%0.23426%0.26CS..Hα-helixtrans-61.9-52.6174.5-23.633.9000115P267 L273 I274 I275 F470P267-P271 VanDerWaalsContact O-CD 3.23Å; P267-P271 WeakPolarHBondContact O-CD 3.5Å; P271-L273 VanDerWaalsContact C-N 3.27Å; P271-L273 PolarHBondContact O-N 3.4Å; P271-I274 PolarHBondContact O-N 3.32Å; P271-I275 PolarHBondContact O-N 2.89Å; P271-I275 VanDerWaalsContact O-N 3.15Å; P271-F470 HydrophobicContact CB-CD1 4.11Å; P271-F470 HydrophobicContact CB-CE1 4.4Å
272P91.1Very high90.9Very high2 Ų242.4 Ų42.41%0.01323%0.23CC..Hα-helixtrans-64.3-30.6173.321.9-30.3000112.6L269 I275 G276 L397 F398 F470L269-P272 VanDerWaalsContact O-CD 3.23Å; L269-P272 WeakPolarHBondContact O-CD 3.45Å; L269-P272 VanDerWaalsContact O-CG 3.28Å; L269-P272 WeakPolarHBondContact O-CG 3.35Å; P272-I275 PolarHBondContact O-N 3.1Å; P272-G276 PolarHBondContact O-N 3.27Å; P272-L397 HydrophobicContact CB-CB 4.07Å; P272-L397 HydrophobicContact CB-CD1 4.43Å; P272-L397 HydrophobicContact CB-CD2 4.22Å; P272-L397 HydrophobicContact CB-CG 4.49Å; P272-F398 HydrophobicContact CB-CE1 4.29Å; P272-F398 HydrophobicContact CB-CE2 4.22Å; P272-F398 HydrophobicContact CB-CZ 3.93Å; P272-F398 HydrophobicContact CG-CE1 4.08Å; P272-F398 HydrophobicContact CG-CZ 4.14Å; P272-F470 HydrophobicContact CB-CE2 4.2Å; P272-F470 HydrophobicContact CB-CZ 4.34Å
273L92.3Very high91.4Very high10 Ų1038.3 Ų38.35%0.05221%0.211CC..Hα-helixtrans-65-45.9175-176.465.7000112.2L263 I264 L269 R270 P271 I275 G276 I277 F398 I409L263-L273 HydrophobicContact CD2-CD1 4.38Å; L263-L273 HydrophobicContact CG-CD2 4.33Å; I264-L273 HydrophobicContact CG1-CD2 3.93Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 PolarHBondContact O-N 3.08Å; R270-L273 PolarHBondContact O-N 2.9Å; P271-L273 VanDerWaalsContact C-N 3.27Å; P271-L273 PolarHBondContact O-N 3.4Å; L273-I275 PolarHBondContact O-N 3.32Å; L273-G276 PolarHBondContact O-N 2.8Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CG-CD1 3.94Å; L273-I277 WeakPolarHBondContact O-CB 3.35Å; L273-I277 VanDerWaalsContact O-CG1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.46Å; L273-I277 PolarHBondContact O-N 3.24Å; L273-F398 HydrophobicContact CB-CZ 4.01Å; L273-F398 HydrophobicContact CD1-CZ 4.4Å; L273-I409 HydrophobicContact CD1-CB 4.35Å; L273-I409 HydrophobicContact CD1-CD1 3.84Å; L273-I409 HydrophobicContact CD1-CG2 4.21Å; L273-I409 HydrophobicContact CD2-CD1 4.18Å
274I94.7Very high91.9Very high74 Ų7438.8 Ų38.838%0.37921%0.213SC..Hα-helixtrans-59.4-38174.8-72.4166.1000110.4R270 P271 V278 F450R270-I274 HydrophobicContact CG-CD1 3.84Å; R270-I274 HydrophobicContact CG-CG1 4.31Å; R270-I274 WeakPolarHBondContact O-CB 3.45Å; R270-I274 VanDerWaalsContact O-CG1 3.26Å; R270-I274 WeakPolarHBondContact O-CG1 3.25Å; R270-I274 PolarHBondContact O-N 3.03Å; P271-I274 PolarHBondContact O-N 3.32Å; I274-V278 HydrophobicContact CG2-CG2 4.38Å; I274-V278 WeakPolarHBondContact O-CB 3.33Å; I274-V278 VanDerWaalsContact O-CG2 3.26Å; I274-V278 WeakPolarHBondContact O-CG2 3.49Å; I274-V278 PolarHBondContact O-N 2.87Å; I274-F450 HydrophobicContact CG2-CE2 4.46Å; I274-F450 HydrophobicContact CG2-CZ 4.29Å
275I94.8Very high92.2Very high6 Ų636.6 Ų36.63%0.03120%0.201CC..Hα-helixtrans-65.7-50174.9-69.1163000111.2P271 P272 L273 I277 V278 M279 L397 F450 K454 V455 F470P271-I275 PolarHBondContact O-N 2.89Å; P271-I275 VanDerWaalsContact O-N 3.15Å; P272-I275 PolarHBondContact O-N 3.1Å; L273-I275 PolarHBondContact O-N 3.32Å; I275-I277 VanDerWaalsContact C-N 3.31Å; I275-I277 PolarHBondContact O-N 3.33Å; I275-V278 PolarHBondContact O-N 3.5Å; I275-M279 HydrophobicContact CG2-CG 4Å; I275-M279 WeakPolarHBondContact O-CB 3.23Å; I275-M279 WeakPolarHBondContact O-CG 3.23Å; I275-M279 PolarHBondContact O-N 2.96Å; I275-L397 HydrophobicContact CB-CD1 4.03Å; I275-L397 HydrophobicContact CG2-CD1 3.61Å; I275-F450 HydrophobicContact CG1-CE1 4.08Å; I275-F450 HydrophobicContact CG1-CZ 3.95Å; I275-K454 VanDerWaalsContact CD1-O 3.29Å; I275-K454 WeakPolarHBondContact CD1-O 3.38Å; I275-V455 HydrophobicContact CG2-CG2 3.9Å; I275-F470 HydrophobicContact CD1-CE1 3.5Å; I275-F470 VanDerWaalsContact CD1-CE1 3.5Å; I275-F470 HydrophobicContact CD1-CZ 3.57Å
276G93.7Very high92.6Very high2 Ų232.9 Ų32.92%0.02118%0.175CC..Hα-helixtrans-55.1-46176.900000112.4P272 L273 M279 Q280P272-G276 PolarHBondContact O-N 3.27Å; L273-G276 PolarHBondContact O-N 2.8Å; G276-M279 PolarHBondContact O-N 3.31Å; G276-Q280 WeakPolarHBondContact O-CG 3.26Å; G276-Q280 PolarHBondContact O-N 3.28Å; G276-Q280 VanDerWaalsContact O-N 3.08Å
277I95.7Very high93Very high46 Ų4631.4 Ų31.424%0.23617%0.165CC..Hα-helixtrans-57.8-53.6174.4-69.8171.1000111L273 I275 M279 Q280 L281 I409 V413L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CG-CD1 3.94Å; L273-I277 WeakPolarHBondContact O-CB 3.35Å; L273-I277 VanDerWaalsContact O-CG1 3.28Å; L273-I277 WeakPolarHBondContact O-CG1 3.46Å; L273-I277 PolarHBondContact O-N 3.24Å; I275-I277 VanDerWaalsContact C-N 3.31Å; I275-I277 PolarHBondContact O-N 3.33Å; I277-M279 VanDerWaalsContact C-N 3.32Å; I277-M279 PolarHBondContact O-N 3.11Å; I277-Q280 PolarHBondContact O-N 3.5Å; I277-L281 HydrophobicContact CG2-CD1 4.14Å; I277-L281 HydrophobicContact CG2-CG 4.46Å; I277-L281 WeakPolarHBondContact O-CG 3.4Å; I277-L281 PolarHBondContact O-N 3.06Å; I277-I409 HydrophobicContact CD1-CG2 4.01Å; I277-I409 HydrophobicContact CG1-CG2 4.04Å; I277-V413 HydrophobicContact CG1-CG2 4.32Å; I277-V413 HydrophobicContact CG2-CG1 4.19Å; I277-V413 HydrophobicContact CG2-CG2 4.35Å
278V96.8Very high93.5Very high26 Ų2626.2 Ų26.216%0.15813%0.131CC..Hα-helixtrans-67-32-177.5174.90000112.2I274 I275 L281 S282 F447 F450I274-V278 HydrophobicContact CG2-CG2 4.38Å; I274-V278 WeakPolarHBondContact O-CB 3.33Å; I274-V278 VanDerWaalsContact O-CG2 3.26Å; I274-V278 WeakPolarHBondContact O-CG2 3.49Å; I274-V278 PolarHBondContact O-N 2.87Å; I275-V278 PolarHBondContact O-N 3.5Å; V278-L281 PolarHBondContact O-N 2.83Å; V278-S282 WeakPolarHBondContact O-CB 3.35Å; V278-S282 PolarHBondContact O-N 2.94Å; V278-S282 PolarHBondContact O-OG 3.41Å; V278-F447 HydrophobicContact CG1-CD1 3.8Å; V278-F447 HydrophobicContact CG1-CE1 4.07Å; V278-F450 HydrophobicContact CB-CD1 4.11Å; V278-F450 HydrophobicContact CB-CE1 3.72Å; V278-F450 HydrophobicContact CB-CE2 4.44Å; V278-F450 HydrophobicContact CB-CZ 3.9Å; V278-F450 HydrophobicContact CG1-CB 4.42Å; V278-F450 HydrophobicContact CG1-CD1 3.42Å; V278-F450 VanDerWaalsContact CG1-CD1 3.42Å; V278-F450 HydrophobicContact CG1-CD2 4.2Å; V278-F450 HydrophobicContact CG1-CE1 3.59Å; V278-F450 HydrophobicContact CG1-CE2 4.33Å; V278-F450 HydrophobicContact CG1-CG 3.76Å; V278-F450 HydrophobicContact CG1-CZ 4.04Å; V278-F450 HydrophobicContact CG2-CE1 4.32Å; V278-F450 HydrophobicContact CG2-CE2 4.18Å; V278-F450 HydrophobicContact CG2-CZ 4Å
279M95.1Very high93.8Very high1 Ų123 Ų231%0.00511%0.111CC..Hα-helixtrans-61.9-45172.1-71.7-66.6-60.400111.1I275 G276 I277 S282 Q283 H340 I389 P390 I393 V455I275-M279 HydrophobicContact CG2-CG 4Å; I275-M279 WeakPolarHBondContact O-CB 3.23Å; I275-M279 WeakPolarHBondContact O-CG 3.23Å; I275-M279 PolarHBondContact O-N 2.96Å; G276-M279 PolarHBondContact O-N 3.31Å; I277-M279 VanDerWaalsContact C-N 3.32Å; I277-M279 PolarHBondContact O-N 3.11Å; M279-S282 PolarHBondContact O-N 2.99Å; M279-S282 PolarHBondContact O-OG 3.15Å; M279-Q283 PolarHBondContact O-N 3.45Å; M279-H340 HydrophobicContact CE-CB 4.44Å; M279-H340 WeakPolarHBondContact CE-NE2 3.23Å; M279-I389 HydrophobicContact CE-CG2 4.04Å; M279-P390 HydrophobicContact CB-CB 4Å; M279-P390 HydrophobicContact CE-CB 4.41Å; M279-P390 HydrophobicContact CE-CG 4.07Å; M279-P390 WeakPolarHBondContact O-CG 3.46Å; M279-I393 HydrophobicContact CE-CD1 3.91Å; M279-I393 HydrophobicContact CG-CG2 4.33Å; M279-V455 HydrophobicContact SD-CG1 4.48Å; M279-V455 HydrophobicContact SD-CG2 3.89Å
280Q95.3Very high94Very high0 Ų022.3 Ų22.30%011%0.108CC..Hα-helixtrans-67.3-39.4176.3-64.4-65.6-7.100112.6G276 I277 S282 Q283 Q284 A410 V413 N414G276-Q280 WeakPolarHBondContact O-CG 3.26Å; G276-Q280 PolarHBondContact O-N 3.28Å; G276-Q280 VanDerWaalsContact O-N 3.08Å; I277-Q280 PolarHBondContact O-N 3.5Å; Q280-S282 VanDerWaalsContact C-N 3.29Å; Q280-S282 PolarHBondContact O-N 3.01Å; Q280-Q283 WeakPolarHBondContact O-CB 3.37Å; Q280-Q283 PolarHBondContact O-N 3.38Å; Q280-Q284 PolarHBondContact O-N 3.24Å; Q280-A410 HydrophobicContact CG-CB 3.86Å; Q280-V413 HydrophobicContact CB-CG1 4.16Å; Q280-N414 HydrophobicContact CB-CB 4.32Å; Q280-N414 PolarHBondContact OE1-ND2 3.13Å
281L97.1Very high94.2Very high46 Ų4615.4 Ų15.424%0.2418%0.082CC..Hα-helixtrans-60.6-39.8171.6-66.3179.7000111.5I277 V278 Q283 Q284 F285 V413 A417 F447I277-L281 HydrophobicContact CG2-CD1 4.14Å; I277-L281 HydrophobicContact CG2-CG 4.46Å; I277-L281 WeakPolarHBondContact O-CG 3.4Å; I277-L281 PolarHBondContact O-N 3.06Å; V278-L281 PolarHBondContact O-N 2.83Å; L281-Q283 PolarHBondContact O-N 3.27Å; L281-Q284 PolarHBondContact O-N 3.43Å; L281-F285 HydrophobicContact CB-CD2 4.34Å; L281-F285 HydrophobicContact CD2-CD2 4.08Å; L281-F285 HydrophobicContact CD2-CE2 3.89Å; L281-F285 WeakPolarHBondContact O-CB 3.38Å; L281-F285 PolarHBondContact O-N 3.47Å; L281-V413 HydrophobicContact CD2-CG1 3.55Å; L281-V413 HydrophobicContact CG-CG1 3.83Å; L281-A417 HydrophobicContact CD2-CB 3.88Å; L281-F447 HydrophobicContact CB-CE1 3.92Å; L281-F447 HydrophobicContact CB-CZ 3.88Å
282S96.8Very high94.3Very high1 Ų114.4 Ų14.41%0.0077%0.074CC..Hα-helixtrans-68.7-18.9177.878.30000114.3V278 M279 Q280 S286 H340 F447V278-S282 WeakPolarHBondContact O-CB 3.35Å; V278-S282 PolarHBondContact O-N 2.94Å; V278-S282 PolarHBondContact O-OG 3.41Å; M279-S282 PolarHBondContact O-N 2.99Å; M279-S282 PolarHBondContact O-OG 3.15Å; Q280-S282 VanDerWaalsContact C-N 3.29Å; Q280-S282 PolarHBondContact O-N 3.01Å; S282-S286 WeakPolarHBondContact O-CB 3.38Å; S282-H340 PolarHBondContact OG-CE1 3.32Å; S282-H340 PolarHBondContact OG-NE2 2.94Å; S282-F447 VanDerWaalsContact CB-CG 3.42Å
283Q95.3Very high94.2Very high14 Ų1414.6 Ų14.67%0.0657%0.074CC..Hα-helixtrans-71.5-53.3169.6-179.1164104.300110.6M279 Q280 L281 S286 F382 P386 G387 P390 W391 N414M279-Q283 PolarHBondContact O-N 3.45Å; Q280-Q283 WeakPolarHBondContact O-CB 3.37Å; Q280-Q283 PolarHBondContact O-N 3.38Å; L281-Q283 PolarHBondContact O-N 3.27Å; Q283-S286 WeakPolarHBondContact O-CB 3.41Å; Q283-S286 PolarHBondContact O-OG 3Å; Q283-F382 HydrophobicContact CG-CE2 4.15Å; Q283-F382 HydrophobicContact CG-CZ 4.27Å; Q283-P386 PolarHBondContact NE2-O 2.96Å; Q283-G387 PolarHBondContact NE2-O 3.39Å; Q283-P390 HydrophobicContact CB-CG 4.22Å; Q283-W391 VanDerWaalsContact OE1-NE1 3.16Å; Q283-N414 PolarHBondContact OE1-ND2 3.42Å
284Q94.9Very high94Very high10 Ų1014.3 Ų14.35%0.0477%0.072CC..Hα-helixtrans-84.8-46.4-168.6-54.5-62.418.800112.9Q280 L281 S286 G287 N289 N414 A417 N418Q280-Q284 PolarHBondContact O-N 3.24Å; L281-Q284 PolarHBondContact O-N 3.43Å; Q284-S286 PolarHBondContact O-N 3.47Å; Q284-G287 PolarHBondContact O-N 2.94Å; Q284-N289 PolarHBondContact OE1-ND2 3.45Å; Q284-N289 PolarHBondContact OE1-OD1 3.27Å; Q284-N414 VanDerWaalsContact NE2-CG 3.34Å; Q284-N414 PolarHBondContact NE2-ND2 3.42Å; Q284-N414 PolarHBondContact NE2-OD1 2.57Å; Q284-A417 HydrophobicContact CB-CB 3.71Å; Q284-A417 HydrophobicContact CG-CB 4.09Å; Q284-N418 HydrophobicContact CG-CB 4.45Å
285F96.1Very high93.8Very high40 Ų4010.8 Ų10.818%0.1755%0.054CC..THydrogen-bonded Turntrans-75.111.2174.2-67.4-52.3000113.6L281 A417 V420 V421 F443 F447L281-F285 HydrophobicContact CB-CD2 4.34Å; L281-F285 HydrophobicContact CD2-CD2 4.08Å; L281-F285 HydrophobicContact CD2-CE2 3.89Å; L281-F285 WeakPolarHBondContact O-CB 3.38Å; L281-F285 PolarHBondContact O-N 3.47Å; F285-A417 HydrophobicContact CD2-CB 4.25Å; F285-A417 HydrophobicContact CE2-CB 3.86Å; F285-A417 HydrophobicContact CZ-CB 4.1Å; F285-V420 HydrophobicContact CE1-CB 4.18Å; F285-V420 HydrophobicContact CE1-CG1 3.82Å; F285-V420 HydrophobicContact CZ-CB 4.14Å; F285-V420 HydrophobicContact CZ-CG1 3.95Å; F285-V421 HydrophobicContact CD1-CG2 3.56Å; F285-V421 HydrophobicContact CE1-CG2 3.77Å; F285-F443 HydrophobicContact CB-CB 4.46Å; F285-F443 HydrophobicContact CB-CD1 4.43Å; F285-F443 HydrophobicContact CB-CD2 4.48Å; F285-F443 HydrophobicContact CB-CG 4.22Å; F285-F443 WeakPolarHBondContact O-CB 3.43Å; F285-F447 HydrophobicContact CB-CE2 3.78Å; F285-F447 HydrophobicContact CB-CZ 4.1Å
286S96.3Very high93.6Very high0 Ų010.6 Ų10.60%05%0.053CC..THydrogen-bonded Turntrans-66.6-23.9162.869.90000113S282 Q283 Q284 I288 F378S282-S286 WeakPolarHBondContact O-CB 3.38Å; Q283-S286 WeakPolarHBondContact O-CB 3.41Å; Q283-S286 PolarHBondContact O-OG 3Å; Q284-S286 PolarHBondContact O-N 3.47Å; S286-I288 WeakPolarHBondContact OG-CB 3.17Å; S286-I288 WeakPolarHBondContact OG-CG2 3.49Å; S286-I288 PolarHBondContact OG-N 3.44Å; S286-I288 VanDerWaalsContact OG-N 3.16Å; S286-F378 VanDerWaalsContact O-CZ 3.31Å; S286-F378 WeakPolarHBondContact O-CZ 3.43Å
287G93.2Very high93.3Very high0 Ų011.1 Ų11.10%06%0.057CC..SBendtrans95.20.1-171.100000114.7Q284 N289 A290 V291 F440Q284-G287 PolarHBondContact O-N 2.94Å; G287-N289 VanDerWaalsContact C-N 3.34Å; G287-N289 PolarHBondContact O-N 3.47Å; G287-A290 WeakPolarHBondContact O-CB 3.19Å; G287-A290 PolarHBondContact O-N 2.88Å; G287-A290 VanDerWaalsContact O-N 3.14Å; G287-V291 PolarHBondContact O-N 3.26Å; G287-F440 VanDerWaalsContact CA-CD1 3.46Å
288I94.2Very high92.9Very high0 Ų09.1 Ų9.10%05%0.046CC..Hα-helixtrans-60.3-37.3-176.6-165.566.3000114.1S286 A290 V291 F292 F378 V379 F382S286-I288 WeakPolarHBondContact OG-CB 3.17Å; S286-I288 WeakPolarHBondContact OG-CG2 3.49Å; S286-I288 PolarHBondContact OG-N 3.44Å; S286-I288 VanDerWaalsContact OG-N 3.16Å; I288-A290 VanDerWaalsContact C-N 3.29Å; I288-A290 PolarHBondContact O-N 2.92Å; I288-V291 CarbonylContact O-C 3.57Å; I288-V291 WeakPolarHBondContact O-CA 3.31Å; I288-V291 WeakPolarHBondContact O-CB 3.49Å; I288-V291 PolarHBondContact O-N 2.9Å; I288-V291 VanDerWaalsContact O-N 3.07Å; I288-F292 HydrophobicContact CD1-CE1 3.89Å; I288-F292 HydrophobicContact CD1-CE2 4.37Å; I288-F292 HydrophobicContact CD1-CZ 3.8Å; I288-F292 HydrophobicContact CG1-CD1 4.43Å; I288-F292 HydrophobicContact CG1-CD2 4.05Å; I288-F292 HydrophobicContact CG1-CE1 3.92Å; I288-F292 HydrophobicContact CG1-CE2 3.51Å; I288-F292 HydrophobicContact CG1-CG 4.49Å; I288-F292 HydrophobicContact CG1-CZ 3.43Å; I288-F292 VanDerWaalsContact CG1-CZ 3.43Å; I288-F292 PolarHBondContact O-N 3.44Å; I288-F378 HydrophobicContact CD1-CD1 4.33Å; I288-F378 HydrophobicContact CD1-CE1 3.99Å; I288-V379 HydrophobicContact CD1-CG2 4.16Å; I288-F382 HydrophobicContact CB-CD2 3.85Å; I288-F382 HydrophobicContact CB-CE2 3.86Å; I288-F382 HydrophobicContact CB-CG 4.24Å; I288-F382 HydrophobicContact CB-CZ 4.23Å; I288-F382 HydrophobicContact CD1-CB 3.87Å; I288-F382 HydrophobicContact CD1-CD1 3.79Å; I288-F382 HydrophobicContact CD1-CD2 4.14Å; I288-F382 HydrophobicContact CD1-CE1 4.39Å; I288-F382 HydrophobicContact CD1-CG 3.64Å; I288-F382 HydrophobicContact CG1-CB 4.45Å; I288-F382 HydrophobicContact CG1-CD1 3.69Å; I288-F382 HydrophobicContact CG1-CD2 3.8Å; I288-F382 HydrophobicContact CG1-CE1 3.78Å; I288-F382 HydrophobicContact CG1-CE2 3.92Å; I288-F382 HydrophobicContact CG1-CG 3.69Å; I288-F382 HydrophobicContact CG1-CZ 3.88Å; I288-F382 HydrophobicContact CG2-CD2 4.08Å; I288-F382 HydrophobicContact CG2-CE2 3.56Å; I288-F382 HydrophobicContact CG2-CZ 3.79Å
289N91.1Very high92.6Very high9 Ų97.9 Ų7.95%0.0484%0.039CC..Hα-helixtrans-71.5-26.7179.8-65.4-4.3000112.2Q284 G287 V291 F292 Y293 N418 V421Q284-N289 PolarHBondContact OE1-ND2 3.45Å; Q284-N289 PolarHBondContact OE1-OD1 3.27Å; G287-N289 VanDerWaalsContact C-N 3.34Å; G287-N289 PolarHBondContact O-N 3.47Å; N289-V291 VanDerWaalsContact C-N 3.26Å; N289-V291 PolarHBondContact O-N 3.48Å; N289-F292 PolarHBondContact O-N 3.1Å; N289-Y293 HydrophobicContact CB-CD2 4.05Å; N289-Y293 HydrophobicContact CB-CE2 3.76Å; N289-Y293 VanDerWaalsContact O-CB 3.3Å; N289-Y293 WeakPolarHBondContact O-CB 3.47Å; N289-Y293 VanDerWaalsContact O-CD2 3.27Å; N289-Y293 WeakPolarHBondContact O-CD2 3.41Å; N289-Y293 VanDerWaalsContact O-CG 3.26Å; N289-Y293 PolarHBondContact O-N 3.36Å; N289-N418 PolarHBondContact ND2-OD1 3.04Å; N289-V421 HydrophobicContact CB-CG1 4.1Å
290A91.1Very high92.2Very high0 Ų09.7 Ų9.70%05%0.048CC..Hα-helixtrans-62.8-37.917000000111.2G287 I288 Y294 F425 F440G287-A290 WeakPolarHBondContact O-CB 3.19Å; G287-A290 PolarHBondContact O-N 2.88Å; G287-A290 VanDerWaalsContact O-N 3.14Å; I288-A290 VanDerWaalsContact C-N 3.29Å; I288-A290 PolarHBondContact O-N 2.92Å; A290-Y294 WeakPolarHBondContact O-CA 3.28Å; A290-Y294 WeakPolarHBondContact O-CB 3.44Å; A290-Y294 PolarHBondContact O-N 3.46Å; A290-F425 HydrophobicContact CB-CB 4.4Å; A290-F425 HydrophobicContact CB-CD1 4.09Å; A290-F425 HydrophobicContact CB-CD2 3.32Å; A290-F425 HydrophobicContact CB-CE1 4.2Å; A290-F425 HydrophobicContact CB-CE2 3.45Å; A290-F425 VanDerWaalsContact CB-CE2 3.45Å; A290-F425 HydrophobicContact CB-CG 3.65Å; A290-F425 HydrophobicContact CB-CZ 3.89Å; A290-F440 HydrophobicContact CB-CE2 4.01Å; A290-F440 HydrophobicContact CB-CZ 4.14Å
291V93.2Very high91.6Very high0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-68.5-47.1172.1179.80000110.9N35 G287 I288 N289 Y293 S295 I316 T375 F378 V379 F437N35-V291 PolarHBondContact ND2-O 3.31Å; G287-V291 PolarHBondContact O-N 3.26Å; I288-V291 CarbonylContact O-C 3.57Å; I288-V291 WeakPolarHBondContact O-CA 3.31Å; I288-V291 WeakPolarHBondContact O-CB 3.49Å; I288-V291 PolarHBondContact O-N 2.9Å; I288-V291 VanDerWaalsContact O-N 3.07Å; N289-V291 VanDerWaalsContact C-N 3.26Å; N289-V291 PolarHBondContact O-N 3.48Å; V291-Y293 PolarHBondContact O-N 3.45Å; V291-S295 WeakPolarHBondContact O-CA 3.39Å; V291-S295 WeakPolarHBondContact O-CB 3.37Å; V291-S295 PolarHBondContact O-N 2.89Å; V291-S295 PolarHBondContact O-OG 2.9Å; V291-I316 HydrophobicContact CG1-CD1 3.66Å; V291-I316 HydrophobicContact CG1-CG2 4.44Å; V291-T375 HydrophobicContact CG1-CG2 3.76Å; V291-T375 HydrophobicContact CG2-CG2 4.33Å; V291-F378 HydrophobicContact CG2-CD1 4.19Å; V291-F378 HydrophobicContact CG2-CE1 3.87Å; V291-V379 HydrophobicContact CG1-CG2 4.02Å; V291-F437 HydrophobicContact CG2-CE1 4.2Å; V291-F437 HydrophobicContact CG2-CZ 4.02Å
292F91.2Very high90.9Very high15 Ų1510.2 Ų10.27%0.0666%0.055CC..Hα-helixtrans-67.4-33.2-178.5-65.5-23.3000114.4N35 L169 I288 N289 I316 M320 F382N35-F292 PolarHBondContact ND2-O 2.88Å; L169-F292 HydrophobicContact CD2-CD1 4.02Å; L169-F292 HydrophobicContact CD2-CE1 3.82Å; L169-F292 HydrophobicContact CD2-CZ 4.12Å; I288-F292 HydrophobicContact CD1-CE1 3.89Å; I288-F292 HydrophobicContact CD1-CE2 4.37Å; I288-F292 HydrophobicContact CD1-CZ 3.8Å; I288-F292 HydrophobicContact CG1-CD1 4.43Å; I288-F292 HydrophobicContact CG1-CD2 4.05Å; I288-F292 HydrophobicContact CG1-CE1 3.92Å; I288-F292 HydrophobicContact CG1-CE2 3.51Å; I288-F292 HydrophobicContact CG1-CG 4.49Å; I288-F292 HydrophobicContact CG1-CZ 3.43Å; I288-F292 VanDerWaalsContact CG1-CZ 3.43Å; I288-F292 PolarHBondContact O-N 3.44Å; N289-F292 PolarHBondContact O-N 3.1Å; F292-I316 HydrophobicContact CD1-CG2 4.22Å; F292-I316 HydrophobicContact CE1-CG2 4.11Å; F292-M320 HydrophobicContact CE1-CG 4.05Å; F292-M320 HydrophobicContact CE1-SD 4.21Å; F292-M320 HydrophobicContact CZ-CE 3.89Å; F292-M320 HydrophobicContact CZ-CG 4.22Å; F292-M320 HydrophobicContact CZ-SD 3.92Å; F292-F382 HydrophobicContact CE2-CE1 4.3Å; F292-F382 HydrophobicContact CZ-CD1 4.37Å; F292-F382 HydrophobicContact CZ-CE1 4.13Å
293Y88.9Confident90.2Very high6 Ų612.9 Ų12.92%0.0248%0.083CC..Hα-helixtrans-89.5-30.5-180-59.4-30.8000113.6T31 N35 V70 N289 V291 N418T31-Y293 HydrophobicContact CG2-CE1 3.77Å; T31-Y293 VanDerWaalsContact O-CD1 3.29Å; T31-Y293 WeakPolarHBondContact O-CD1 3.45Å; T31-Y293 VanDerWaalsContact O-CE1 3.28Å; T31-Y293 WeakPolarHBondContact O-CE1 3.39Å; N35-Y293 WeakPolarHBondContact CA-O 3.28Å; N35-Y293 WeakPolarHBondContact CB-O 3.45Å; V70-Y293 HydrophobicContact CG1-CD1 4.3Å; V70-Y293 HydrophobicContact CG1-CD2 3.5Å; V70-Y293 HydrophobicContact CG1-CE2 3.98Å; V70-Y293 HydrophobicContact CG1-CG 3.7Å; N289-Y293 HydrophobicContact CB-CD2 4.05Å; N289-Y293 HydrophobicContact CB-CE2 3.76Å; N289-Y293 VanDerWaalsContact O-CB 3.3Å; N289-Y293 WeakPolarHBondContact O-CB 3.47Å; N289-Y293 VanDerWaalsContact O-CD2 3.27Å; N289-Y293 WeakPolarHBondContact O-CD2 3.41Å; N289-Y293 VanDerWaalsContact O-CG 3.26Å; N289-Y293 PolarHBondContact O-N 3.36Å; V291-Y293 PolarHBondContact O-N 3.45Å; Y293-N418 WeakPolarHBondContact CE2-OD1 3.48Å; Y293-N418 PolarHBondContact OH-ND2 2.92Å; Y293-N418 VanDerWaalsContact OH-ND2 3.13Å; Y293-N418 PolarHBondContact OH-OD1 3.39Å
294Y88.4Confident89.8Confident4 Ų413.4 Ų13.42%0.0169%0.086CC..Hα-helixtrans-132.818.8-169-48.8-81.8000114.5E38 Y66 V70 A290 T296 S297 L298 G422 F425 P426E38-Y294 WeakPolarHBondContact OE2-CD1 3.45Å; Y66-Y294 HydrophobicContact CD1-CE1 4.14Å; Y66-Y294 HydrophobicContact CE1-CD1 4.06Å; Y66-Y294 AromaticContact CE1-CE1 3.65Å; Y66-Y294 HydrophobicContact CE1-CE1 3.65Å; V70-Y294 HydrophobicContact CG2-CE1 4.17Å; A290-Y294 WeakPolarHBondContact O-CA 3.28Å; A290-Y294 WeakPolarHBondContact O-CB 3.44Å; A290-Y294 PolarHBondContact O-N 3.46Å; Y294-T296 VanDerWaalsContact C-N 3.32Å; Y294-T296 PolarHBondContact O-N 3.09Å; Y294-S297 CarbonylContact O-C 3.53Å; Y294-S297 WeakPolarHBondContact O-CA 3.5Å; Y294-S297 WeakPolarHBondContact O-CB 3.42Å; Y294-S297 PolarHBondContact O-N 2.78Å; Y294-S297 VanDerWaalsContact O-N 3.16Å; Y294-L298 WeakPolarHBondContact O-CG 3.43Å; Y294-L298 PolarHBondContact O-N 2.79Å; Y294-G422 PolarHBondContact OH-O 2.89Å; Y294-F425 AromaticContact CD2-CD1 3.24Å; Y294-F425 HydrophobicContact CD2-CD1 3.24Å; Y294-F425 AromaticContact CD2-CE1 3.63Å; Y294-F425 HydrophobicContact CD2-CE1 3.63Å; Y294-F425 HydrophobicContact CD2-CG 4.18Å; Y294-F425 HydrophobicContact CE2-CB 4.27Å; Y294-F425 AromaticContact CE2-CD1 3.59Å; Y294-F425 HydrophobicContact CE2-CD1 3.59Å; Y294-F425 HydrophobicContact CE2-CE1 4.41Å; Y294-F425 HydrophobicContact CE2-CG 4.3Å; Y294-F425 AromaticContact CG-CD1 3.85Å; Y294-F425 HydrophobicContact CG-CD1 3.85Å; Y294-F425 AromaticContact CG-CE1 3.85Å; Y294-F425 HydrophobicContact CG-CE1 3.85Å; Y294-P426 HydrophobicContact CE1-CG 3.74Å; Y294-P426 HydrophobicContact CE2-CG 4.15Å; Y294-P426 WeakPolarHBondContact OH-CG 3.37Å
295S91.4Very high89.5Confident0 Ų017.2 Ų17.20%011%0.11CC..Hα-helixtrans-59-37.8179.757.10000113.8N35 V291 S297 L298 F299 T313 I316N35-S295 PolarHBondContact ND2-N 3.15Å; N35-S295 PolarHBondContact ND2-OG 2.99Å; V291-S295 WeakPolarHBondContact O-CA 3.39Å; V291-S295 WeakPolarHBondContact O-CB 3.37Å; V291-S295 PolarHBondContact O-N 2.89Å; V291-S295 PolarHBondContact O-OG 2.9Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-L298 PolarHBondContact O-N 3.37Å; S295-F299 WeakPolarHBondContact O-CD2 3.42Å; S295-F299 WeakPolarHBondContact O-CG 3.25Å; S295-F299 PolarHBondContact O-N 3.31Å; S295-T313 WeakPolarHBondContact OG-CB 3.38Å; S295-T313 WeakPolarHBondContact OG-CG2 3.39Å; S295-T313 PolarHBondContact OG-OG1 3.01Å; S295-I316 VanDerWaalsContact CB-CD1 3.5Å
296T90.7Very high89Confident2 Ų217.7 Ų17.71%0.01211%0.113CC..Hα-helixtrans-62.2-46.4176.4-48.20000109.6N35 Y294 L298 F299 M300 A309 K310 T313N35-T296 VanDerWaalsContact OD1-CB 3.29Å; N35-T296 WeakPolarHBondContact OD1-CB 3.38Å; N35-T296 PolarHBondContact OD1-N 3.49Å; N35-T296 PolarHBondContact OD1-OG1 3.34Å; Y294-T296 VanDerWaalsContact C-N 3.32Å; Y294-T296 PolarHBondContact O-N 3.09Å; T296-L298 VanDerWaalsContact C-N 3.32Å; T296-L298 PolarHBondContact O-N 2.86Å; T296-F299 PolarHBondContact O-N 2.77Å; T296-M300 HydrophobicContact CG2-CE 4.11Å; T296-M300 WeakPolarHBondContact O-CG 3.35Å; T296-M300 PolarHBondContact O-N 3.37Å; T296-A309 HydrophobicContact CG2-CB 3.98Å; T296-K310 HydrophobicContact CG2-CG 3.7Å; T296-T313 PolarHBondContact N-OG1 3.2Å; T296-T313 PolarHBondContact OG1-OG1 3.28Å
297S86.6Confident88.6Confident13 Ų1322.3 Ų22.39%0.09113%0.134CC..Hα-helixtrans-55.4-42.5172.5-151.50000113.2E38 Y294 S295 S301 K429E38-S297 WeakPolarHBondContact OE1-CB 3.45Å; E38-S297 PolarHBondContact OE1-OG 2.94Å; Y294-S297 CarbonylContact O-C 3.53Å; Y294-S297 WeakPolarHBondContact O-CA 3.5Å; Y294-S297 WeakPolarHBondContact O-CB 3.42Å; Y294-S297 PolarHBondContact O-N 2.78Å; Y294-S297 VanDerWaalsContact O-N 3.16Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S297-S301 WeakPolarHBondContact O-CB 3.48Å; S297-S301 PolarHBondContact O-N 3.2Å; S297-S301 PolarHBondContact O-OG 3.3Å; S297-K429 PolarHBondContact O-NZ 3.31Å; S297-K429 PolarHBondContact OG-NZ 3.35Å
298L87.7Confident88.4Confident4 Ų424.8 Ų24.82%0.02115%0.152CC..Hα-helixtrans-69.8-44.1-179.6-79.4171.9000112.6Y294 S295 T296 S301 S302 F358 F425 F437Y294-L298 WeakPolarHBondContact O-CG 3.43Å; Y294-L298 PolarHBondContact O-N 2.79Å; S295-L298 PolarHBondContact O-N 3.37Å; T296-L298 VanDerWaalsContact C-N 3.32Å; T296-L298 PolarHBondContact O-N 2.86Å; L298-S301 CarbonylContact O-C 3.6Å; L298-S301 PolarHBondContact O-N 2.99Å; L298-S302 PolarHBondContact O-N 3Å; L298-F358 HydrophobicContact CD2-CE2 4.15Å; L298-F358 HydrophobicContact CD2-CZ 3.96Å; L298-F425 HydrophobicContact CD1-CZ 4.17Å; L298-F425 HydrophobicContact CD2-CZ 4Å; L298-F425 HydrophobicContact CG-CZ 4.26Å; L298-F437 HydrophobicContact CD1-CE2 3.8Å; L298-F437 HydrophobicContact CD1-CZ 3.82Å; L298-F437 HydrophobicContact CD2-CE2 3.98Å
299F89.8Confident88.2Confident1 Ų124.8 Ų24.80%0.00415%0.152CC..Hα-helixtrans-69.7-34.9178.1-64.5-42.2000112.2S295 T296 S302 G303 L304 A309 A312 I316 V372 T375S295-F299 WeakPolarHBondContact O-CD2 3.42Å; S295-F299 WeakPolarHBondContact O-CG 3.25Å; S295-F299 PolarHBondContact O-N 3.31Å; T296-F299 PolarHBondContact O-N 2.77Å; F299-S302 PolarHBondContact O-N 2.8Å; F299-S302 PolarHBondContact O-OG 3.38Å; F299-G303 PolarHBondContact O-N 2.84Å; F299-L304 HydrophobicContact CB-CB 4.4Å; F299-L304 HydrophobicContact CB-CD1 4.39Å; F299-L304 HydrophobicContact CB-CD2 4.32Å; F299-L304 WeakPolarHBondContact O-CB 3.31Å; F299-L304 PolarHBondContact O-N 3.28Å; F299-A309 HydrophobicContact CB-CB 3.7Å; F299-A312 HydrophobicContact CD2-CB 3.6Å; F299-A312 HydrophobicContact CE2-CB 3.59Å; F299-A312 HydrophobicContact CG-CB 4.24Å; F299-A312 HydrophobicContact CZ-CB 4.23Å; F299-I316 HydrophobicContact CE2-CD1 3.82Å; F299-I316 HydrophobicContact CZ-CD1 3.94Å; F299-V372 HydrophobicContact CD1-CG2 3.82Å; F299-V372 HydrophobicContact CE1-CB 4.3Å; F299-V372 HydrophobicContact CE1-CG2 3.89Å; F299-V372 HydrophobicContact CG-CG2 4.43Å; F299-T375 HydrophobicContact CE1-CG2 4.05Å; F299-T375 HydrophobicContact CZ-CG2 3.73Å
300M87.6Confident88.2Confident39 Ų3924.6 Ų24.619%0.19215%0.151CC..Hα-helixtrans-63.2-43.9168.7-69.7-175.2-62.800111.4K39 T296 S302 G303 E306 A309K39-M300 WeakPolarHBondContact CE-SD 3.4Å; K39-M300 PolarHBondContact NZ-SD 3.49Å; T296-M300 HydrophobicContact CG2-CE 4.11Å; T296-M300 WeakPolarHBondContact O-CG 3.35Å; T296-M300 PolarHBondContact O-N 3.37Å; M300-S302 PolarHBondContact O-N 3.17Å; M300-G303 PolarHBondContact O-N 3.04Å; M300-E306 HydrophobicContact SD-CB 3.92Å; M300-E306 HydrophobicContact SD-CG 3.84Å; M300-A309 HydrophobicContact CG-CB 3.79Å
301S82.6Confident88.2Confident53 Ų5329.4 Ų29.437%0.37117%0.172SC..Hα-helixtrans-66.5-12.3174.5-63.90000114.9S297 L298 K361 K429S297-S301 WeakPolarHBondContact O-CB 3.48Å; S297-S301 PolarHBondContact O-N 3.2Å; S297-S301 PolarHBondContact O-OG 3.3Å; L298-S301 CarbonylContact O-C 3.6Å; L298-S301 PolarHBondContact O-N 2.99Å; S301-K361 PolarHBondContact O-NZ 2.83Å; S301-K429 VanDerWaalsContact OG-CE 3.28Å; S301-K429 WeakPolarHBondContact OG-CE 3.19Å; S301-K429 PolarHBondContact OG-NZ 2.89Å
302S81.7Confident88.2Confident3 Ų330.1 Ų30.12%0.02118%0.177CC..THydrogen-bonded Turntrans-97.91.817281.60000114.3L298 F299 M300 L304 S368L298-S302 PolarHBondContact O-N 3Å; F299-S302 PolarHBondContact O-N 2.8Å; F299-S302 PolarHBondContact O-OG 3.38Å; M300-S302 PolarHBondContact O-N 3.17Å; S302-L304 WeakPolarHBondContact OG-CD1 3.47Å; S302-S368 PolarHBondContact O-OG 2.62Å
303G82.8Confident88.2Confident57 Ų5729.4 Ų29.459%0.58817%0.174SC*.THydrogen-bonded Turntrans1053.3174.900000116.6F299 M300F299-G303 PolarHBondContact O-N 2.84Å; M300-G303 PolarHBondContact O-N 3.04Å
304L87.1Confident88.5Confident26 Ų2630.6 Ų30.614%0.13618%0.181CC..  trans-76.6147.6175.8-79.479.5000111.6F299 S302 A309 A312 V372F299-L304 HydrophobicContact CB-CB 4.4Å; F299-L304 HydrophobicContact CB-CD1 4.39Å; F299-L304 HydrophobicContact CB-CD2 4.32Å; F299-L304 WeakPolarHBondContact O-CB 3.31Å; F299-L304 PolarHBondContact O-N 3.28Å; S302-L304 WeakPolarHBondContact OG-CD1 3.47Å; L304-A309 HydrophobicContact CB-CB 4.34Å; L304-A312 HydrophobicContact CD2-CB 4.32Å; L304-V372 HydrophobicContact CD1-CG2 3.94Å; L304-V372 HydrophobicContact CD2-CG2 3.68Å; L304-V372 HydrophobicContact CG-CG2 4.48Å
305T88.6Confident88.7Confident89 Ų8931.5 Ų31.555%0.54619%0.191SC..  trans-63.3154.5164.864.60000110.3E307 S308 A309T305-E307 VanDerWaalsContact C-N 3.34Å; T305-E307 PolarHBondContact O-N 3.05Å; T305-S308 WeakPolarHBondContact O-CB 3.35Å; T305-S308 PolarHBondContact O-N 2.89Å; T305-S308 WeakPolarHBondContact OG1-CB 3.4Å; T305-S308 PolarHBondContact OG1-N 3.06Å; T305-S308 PolarHBondContact OG1-OG 3.46Å; T305-A309 WeakPolarHBondContact O-CB 3.22Å; T305-A309 PolarHBondContact O-N 3.08Å
306E85.4Confident88.8Confident51 Ų5131.5 Ų31.524%0.23819%0.191CC..Hα-helixtrans-59.1-42.5-175.7-176164.8169.900112.9K39 M300 S308 A309 K310K39-E306 WeakPolarHBondContact CD-OE2 3.47Å; K39-E306 WeakPolarHBondContact CE-OE2 3.47Å; K39-E306 IonicContact NZ-OE2 3.61Å; K39-E306 PolarHBondContact NZ-OE2 2.68Å; M300-E306 HydrophobicContact SD-CB 3.92Å; M300-E306 HydrophobicContact SD-CG 3.84Å; E306-S308 PolarHBondContact O-N 3.14Å; E306-A309 PolarHBondContact O-N 3.02Å; E306-K310 HydrophobicContact CG-CD 4.23Å; E306-K310 WeakPolarHBondContact O-CG 3.3Å; E306-K310 PolarHBondContact O-N 3.44Å; E306-K310 WeakPolarHBondContact OE1-CE 3.31Å; E306-K310 IonicContact OE1-NZ 2.88Å; E306-K310 PolarHBondContact OE1-NZ 3.37Å
307E87.4Confident88.9Confident96 Ų9631.4 Ų31.445%0.44919%0.191SC..Hα-helixtrans-57.3-47.7172-179.4175.6-146.200111.7Q179 T305 A309 K310 F311Q179-E307 PolarHBondContact NE2-OE1 3.28Å; T305-E307 VanDerWaalsContact C-N 3.34Å; T305-E307 PolarHBondContact O-N 3.05Å; E307-A309 VanDerWaalsContact C-N 3.33Å; E307-A309 PolarHBondContact O-N 2.7Å; E307-K310 PolarHBondContact O-N 3.19Å; E307-F311 HydrophobicContact CG-CD2 3.8Å; E307-F311 HydrophobicContact CG-CE2 3.55Å; E307-F311 VanDerWaalsContact O-CD2 3.24Å; E307-F311 WeakPolarHBondContact O-CD2 3.41Å; E307-F311 PolarHBondContact O-N 3.21Å
308S89.1Confident89.3Confident52 Ų5232.8 Ų32.836%0.36420%0.203SC..Hα-helixtrans-65.5-36179.3-54.10000112.2T305 E306 F311 A312T305-S308 WeakPolarHBondContact O-CB 3.35Å; T305-S308 PolarHBondContact O-N 2.89Å; T305-S308 WeakPolarHBondContact OG1-CB 3.4Å; T305-S308 PolarHBondContact OG1-N 3.06Å; T305-S308 PolarHBondContact OG1-OG 3.46Å; E306-S308 PolarHBondContact O-N 3.14Å; S308-F311 PolarHBondContact O-N 2.99Å; S308-A312 VanDerWaalsContact O-CB 3.3Å; S308-A312 WeakPolarHBondContact O-CB 3.47Å; S308-A312 PolarHBondContact O-N 3.16Å
309A90.6Very high89.6Confident0 Ų034.7 Ų34.70%021%0.213CC..Hα-helixtrans-67.9-36.4175.700000112.4T296 F299 M300 L304 T305 E306 E307 T313T296-A309 HydrophobicContact CG2-CB 3.98Å; F299-A309 HydrophobicContact CB-CB 3.7Å; M300-A309 HydrophobicContact CG-CB 3.79Å; L304-A309 HydrophobicContact CB-CB 4.34Å; T305-A309 WeakPolarHBondContact O-CB 3.22Å; T305-A309 PolarHBondContact O-N 3.08Å; E306-A309 PolarHBondContact O-N 3.02Å; E307-A309 VanDerWaalsContact C-N 3.33Å; E307-A309 PolarHBondContact O-N 2.7Å; A309-T313 WeakPolarHBondContact O-CB 3.44Å; A309-T313 PolarHBondContact O-N 3.17Å; A309-T313 PolarHBondContact O-OG1 2.73Å
310K89.9Confident89.7Confident6 Ų634.9 Ų34.93%0.02621%0.213CC..Hα-helixtrans-68.3-43.3173.1-71.2171.2-174.9169.90111.1A36 I177 E178 T296 E306 E307 T313 I314A36-K310 VanDerWaalsContact O-CE 3.32Å; A36-K310 WeakPolarHBondContact O-CE 3.42Å; I177-K310 HydrophobicContact CG2-CB 4.48Å; E178-K310 HydrophobicContact CG-CD 4.36Å; E178-K310 IonicContact OE1-NZ 2.84Å; E178-K310 PolarHBondContact OE1-NZ 3.48Å; T296-K310 HydrophobicContact CG2-CG 3.7Å; E306-K310 HydrophobicContact CG-CD 4.23Å; E306-K310 WeakPolarHBondContact O-CG 3.3Å; E306-K310 PolarHBondContact O-N 3.44Å; E306-K310 WeakPolarHBondContact OE1-CE 3.31Å; E306-K310 IonicContact OE1-NZ 2.88Å; E306-K310 PolarHBondContact OE1-NZ 3.37Å; E307-K310 PolarHBondContact O-N 3.19Å; K310-T313 WeakPolarHBondContact O-CB 3.44Å; K310-T313 PolarHBondContact O-N 3.3Å; K310-I314 PolarHBondContact O-N 3.34Å
311F91.7Very high90Very high101 Ų10134.1 Ų34.144%0.44321%0.211SC..Hα-helixtrans-65.2-42173.2-76.6-60.1000113.5E307 S308 T313 I314 G315E307-F311 HydrophobicContact CG-CD2 3.8Å; E307-F311 HydrophobicContact CG-CE2 3.55Å; E307-F311 VanDerWaalsContact O-CD2 3.24Å; E307-F311 WeakPolarHBondContact O-CD2 3.41Å; E307-F311 PolarHBondContact O-N 3.21Å; S308-F311 PolarHBondContact O-N 2.99Å; F311-T313 PolarHBondContact O-N 3Å; F311-I314 HydrophobicContact CD1-CD1 4.13Å; F311-I314 WeakPolarHBondContact O-CB 3.4Å; F311-I314 PolarHBondContact O-N 3.11Å; F311-I314 VanDerWaalsContact O-N 3.16Å; F311-G315 PolarHBondContact O-N 3.39Å; F311-G315 VanDerWaalsContact O-N 3.14Å
312A92.3Very high90.5Very high14 Ų1435.7 Ų35.712%0.11622%0.218CC..Hα-helixtrans-61-33.8173.300000111.9F299 L304 S308 G315 I316 V372F299-A312 HydrophobicContact CD2-CB 3.6Å; F299-A312 HydrophobicContact CE2-CB 3.59Å; F299-A312 HydrophobicContact CG-CB 4.24Å; F299-A312 HydrophobicContact CZ-CB 4.23Å; L304-A312 HydrophobicContact CD2-CB 4.32Å; S308-A312 VanDerWaalsContact O-CB 3.3Å; S308-A312 WeakPolarHBondContact O-CB 3.47Å; S308-A312 PolarHBondContact O-N 3.16Å; A312-G315 WeakPolarHBondContact O-CA 3.39Å; A312-G315 PolarHBondContact O-N 3.18Å; A312-I316 PolarHBondContact O-N 3.26Å; A312-V372 HydrophobicContact CB-CG1 4.09Å; A312-V372 HydrophobicContact CB-CG2 4.22Å
313T92.5Very high91Very high1 Ų136.9 Ų36.91%0.00622%0.224CC..Hα-helixtrans-67.9-37.4173.9-67.60000112.8Q173 S295 T296 A309 K310 F311 G315 I316Q173-T313 HydrophobicContact CB-CG2 4.48Å; Q173-T313 VanDerWaalsContact CD-O 3.27Å; Q173-T313 HydrophobicContact CG-CG2 3.94Å; Q173-T313 PolarHBondContact NE2-O 3.26Å; Q173-T313 PolarHBondContact OE1-O 3.48Å; S295-T313 WeakPolarHBondContact OG-CB 3.38Å; S295-T313 WeakPolarHBondContact OG-CG2 3.39Å; S295-T313 PolarHBondContact OG-OG1 3.01Å; T296-T313 PolarHBondContact N-OG1 3.2Å; T296-T313 PolarHBondContact OG1-OG1 3.28Å; A309-T313 WeakPolarHBondContact O-CB 3.44Å; A309-T313 PolarHBondContact O-N 3.17Å; A309-T313 PolarHBondContact O-OG1 2.73Å; K310-T313 WeakPolarHBondContact O-CB 3.44Å; K310-T313 PolarHBondContact O-N 3.3Å; F311-T313 PolarHBondContact O-N 3Å; T313-G315 VanDerWaalsContact C-N 3.25Å; T313-G315 PolarHBondContact O-N 3.23Å; T313-I316 WeakPolarHBondContact O-CB 3.24Å; T313-I316 PolarHBondContact O-N 3.31Å
314I93.8Very high91.3Very high31 Ų3134.4 Ų34.416%0.15920%0.197CC..Hα-helixtrans-61-36.7169-68.6163.7000111.2L170 Q173 V174 I177 K310 F311 I316 G317 A318L170-I314 HydrophobicContact CD1-CG2 3.95Å; Q173-I314 HydrophobicContact CB-CG1 4.13Å; V174-I314 HydrophobicContact CG2-CD1 4.34Å; V174-I314 HydrophobicContact CG2-CG1 4.2Å; V174-I314 HydrophobicContact CG2-CG2 3.96Å; I177-I314 HydrophobicContact CG2-CD1 3.47Å; I177-I314 VanDerWaalsContact CG2-CD1 3.47Å; I177-I314 HydrophobicContact CG2-CG1 4.45Å; K310-I314 PolarHBondContact O-N 3.34Å; F311-I314 HydrophobicContact CD1-CD1 4.13Å; F311-I314 WeakPolarHBondContact O-CB 3.4Å; F311-I314 PolarHBondContact O-N 3.11Å; F311-I314 VanDerWaalsContact O-N 3.16Å; I314-I316 PolarHBondContact O-N 3.29Å; I314-G317 PolarHBondContact O-N 3.2Å; I314-G317 VanDerWaalsContact O-N 3.12Å; I314-A318 PolarHBondContact O-N 2.64Å
315G93.4Very high91.3Very high23 Ų2337.4 Ų37.424%0.23721%0.213CC..Hα-helixtrans-55.2-37174.700000113.3F311 A312 T313 A318 I319F311-G315 PolarHBondContact O-N 3.39Å; F311-G315 VanDerWaalsContact O-N 3.14Å; A312-G315 WeakPolarHBondContact O-CA 3.39Å; A312-G315 PolarHBondContact O-N 3.18Å; T313-G315 VanDerWaalsContact C-N 3.25Å; T313-G315 PolarHBondContact O-N 3.23Å; G315-A318 PolarHBondContact O-N 3.01Å; G315-I319 WeakPolarHBondContact O-CB 3.46Å; G315-I319 WeakPolarHBondContact O-CG1 3.26Å; G315-I319 PolarHBondContact O-N 3.19Å
316I93.1Very high91.4Very high0 Ų036.4 Ų36.40%021%0.207CC..Hα-helixtrans-62.4-49.9174.8-67.5165.9000110.7V291 F292 S295 F299 A312 T313 I314 A318 I319 M320 T375 L376 V379V291-I316 HydrophobicContact CG1-CD1 3.66Å; V291-I316 HydrophobicContact CG1-CG2 4.44Å; F292-I316 HydrophobicContact CD1-CG2 4.22Å; F292-I316 HydrophobicContact CE1-CG2 4.11Å; S295-I316 VanDerWaalsContact CB-CD1 3.5Å; F299-I316 HydrophobicContact CE2-CD1 3.82Å; F299-I316 HydrophobicContact CZ-CD1 3.94Å; A312-I316 PolarHBondContact O-N 3.26Å; T313-I316 WeakPolarHBondContact O-CB 3.24Å; T313-I316 PolarHBondContact O-N 3.31Å; I314-I316 PolarHBondContact O-N 3.29Å; I316-A318 PolarHBondContact O-N 3.36Å; I316-I319 PolarHBondContact O-N 2.85Å; I316-M320 WeakPolarHBondContact O-CB 3.31Å; I316-M320 VanDerWaalsContact O-CG 3.32Å; I316-M320 WeakPolarHBondContact O-CG 3.33Å; I316-M320 PolarHBondContact O-N 3.32Å; I316-T375 HydrophobicContact CD1-CG2 4.01Å; I316-L376 HydrophobicContact CG1-CD2 3.85Å; I316-V379 HydrophobicContact CG1-CG2 4.34Å; I316-V379 HydrophobicContact CG2-CG1 4.08Å; I316-V379 HydrophobicContact CG2-CG2 3.93Å
317G92.8Very high91.3Very high0 Ų034.2 Ų34.20%020%0.197CC..Hα-helixtrans-63-40.917800000113.1Q173 I314 M320 V321Q173-G317 VanDerWaalsContact OE1-N 3.1Å; I314-G317 PolarHBondContact O-N 3.2Å; I314-G317 VanDerWaalsContact O-N 3.12Å; G317-M320 WeakPolarHBondContact O-CB 3.29Å; G317-M320 PolarHBondContact O-N 3.29Å; G317-V321 WeakPolarHBondContact O-CG2 3.16Å; G317-V321 PolarHBondContact O-N 3.49Å
318A95.6Very high91Very high41 Ų4131 Ų3134%0.33918%0.182SC..Hα-helixtrans-63.6-45.8178.700000111.4L170 I314 G315 I316 V321 V322L170-A318 HydrophobicContact CD1-CB 4.44Å; I314-A318 PolarHBondContact O-N 2.64Å; G315-A318 PolarHBondContact O-N 3.01Å; I316-A318 PolarHBondContact O-N 3.36Å; A318-V321 PolarHBondContact O-N 2.93Å; A318-V322 WeakPolarHBondContact O-CG2 3.38Å; A318-V322 PolarHBondContact O-N 3.1Å
319I94.4Very high90.7Very high45 Ų4531.8 Ų31.823%0.23119%0.186CC..Hα-helixtrans-62.7-42.4173.2-72.6-176.2000111.2G315 I316 V321 V322 M323 L376 V379 V380G315-I319 WeakPolarHBondContact O-CB 3.46Å; G315-I319 WeakPolarHBondContact O-CG1 3.26Å; G315-I319 PolarHBondContact O-N 3.19Å; I316-I319 PolarHBondContact O-N 2.85Å; I319-V321 VanDerWaalsContact C-N 3.32Å; I319-V321 PolarHBondContact O-N 3.46Å; I319-V322 PolarHBondContact O-N 3.2Å; I319-M323 HydrophobicContact CG2-CG 3.91Å; I319-M323 VanDerWaalsContact O-CB 3.29Å; I319-M323 WeakPolarHBondContact O-CB 3.24Å; I319-M323 WeakPolarHBondContact O-CG 3.39Å; I319-M323 PolarHBondContact O-N 3.35Å; I319-L376 HydrophobicContact CD1-CB 3.78Å; I319-L376 HydrophobicContact CD1-CD1 4.41Å; I319-L376 HydrophobicContact CD1-CD2 3.81Å; I319-L376 HydrophobicContact CD1-CG 4.18Å; I319-V379 HydrophobicContact CG2-CG1 4.01Å; I319-V380 HydrophobicContact CD1-CG2 4.35Å; I319-V380 HydrophobicContact CG2-CB 4.47Å; I319-V380 HydrophobicContact CG2-CG2 3.5Å; I319-V380 VanDerWaalsContact CG2-CG2 3.5Å
320M92.1Very high90.4Very high4 Ų434.3 Ų34.32%0.0220%0.199CC..Hα-helixtrans-58.3-42.1177.1-79.9-61.9-6000112.2T166 L169 F292 I316 G317 T324 V379 F382 A383T166-M320 HydrophobicContact CG2-CB 3.89Å; T166-M320 HydrophobicContact CG2-CE 3.58Å; L169-M320 HydrophobicContact CD2-CB 4.46Å; L169-M320 HydrophobicContact CD2-CG 4.2Å; F292-M320 HydrophobicContact CE1-CG 4.05Å; F292-M320 HydrophobicContact CE1-SD 4.21Å; F292-M320 HydrophobicContact CZ-CE 3.89Å; F292-M320 HydrophobicContact CZ-CG 4.22Å; F292-M320 HydrophobicContact CZ-SD 3.92Å; I316-M320 WeakPolarHBondContact O-CB 3.31Å; I316-M320 VanDerWaalsContact O-CG 3.32Å; I316-M320 WeakPolarHBondContact O-CG 3.33Å; I316-M320 PolarHBondContact O-N 3.32Å; G317-M320 WeakPolarHBondContact O-CB 3.29Å; G317-M320 PolarHBondContact O-N 3.29Å; M320-T324 VanDerWaalsContact O-CB 3.26Å; M320-T324 WeakPolarHBondContact O-CB 3.42Å; M320-T324 PolarHBondContact O-N 3.26Å; M320-T324 PolarHBondContact O-OG1 3.43Å; M320-V379 HydrophobicContact CG-CG1 3.65Å; M320-V379 HydrophobicContact SD-CG1 3.64Å; M320-F382 HydrophobicContact CE-CD1 3.97Å; M320-F382 HydrophobicContact CE-CE1 3.96Å; M320-F382 HydrophobicContact SD-CD1 3.98Å; M320-A383 HydrophobicContact CE-CB 4.38Å; M320-A383 HydrophobicContact SD-CB 3.96Å
321V93.4Very high90Very high24 Ų2435 Ų3515%0.14520%0.203CC..Hα-helixtrans-65.8-50.6175.6173.30000111.2L163 T166 V167 L170 G317 A318 I319 M323 T324 L325L163-V321 HydrophobicContact CD1-CG1 4.17Å; T166-V321 VanDerWaalsContact C-CG2 3.47Å; T166-V321 WeakPolarHBondContact O-CG2 3.24Å; V167-V321 HydrophobicContact CG2-CG1 4.3Å; V167-V321 HydrophobicContact CG2-CG2 4.01Å; L170-V321 HydrophobicContact CB-CG2 4.23Å; L170-V321 HydrophobicContact CD2-CG2 3.98Å; G317-V321 WeakPolarHBondContact O-CG2 3.16Å; G317-V321 PolarHBondContact O-N 3.49Å; A318-V321 PolarHBondContact O-N 2.93Å; I319-V321 VanDerWaalsContact C-N 3.32Å; I319-V321 PolarHBondContact O-N 3.46Å; V321-M323 PolarHBondContact O-N 2.83Å; V321-T324 PolarHBondContact O-N 3.44Å; V321-L325 PolarHBondContact O-N 3.46Å
322V93.9Very high89.4Confident85 Ų8534.8 Ų34.852%0.51521%0.206SC..Hα-helixtrans-60.7-48.2-179.6171.90000111.3A318 I319 T324 L325 V326A318-V322 WeakPolarHBondContact O-CG2 3.38Å; A318-V322 PolarHBondContact O-N 3.1Å; I319-V322 PolarHBondContact O-N 3.2Å; V322-T324 VanDerWaalsContact C-N 3.33Å; V322-T324 PolarHBondContact O-N 3.23Å; V322-L325 WeakPolarHBondContact O-CB 3.32Å; V322-L325 PolarHBondContact O-N 3.32Å; V322-L325 VanDerWaalsContact O-N 3.1Å; V322-V326 WeakPolarHBondContact O-CG2 3.36Å; V322-V326 PolarHBondContact O-N 3.4Å; V322-V326 VanDerWaalsContact O-N 3.08Å
323M92Very high89.1Confident29 Ų2943.5 Ų43.514%0.14324%0.236CC..Hα-helixtrans-72.3-25.3-178.5-66.7-53.1-53.700113.2I319 V321 L325 V326 S327 V380 A383 V384I319-M323 HydrophobicContact CG2-CG 3.91Å; I319-M323 VanDerWaalsContact O-CB 3.29Å; I319-M323 WeakPolarHBondContact O-CB 3.24Å; I319-M323 WeakPolarHBondContact O-CG 3.39Å; I319-M323 PolarHBondContact O-N 3.35Å; V321-M323 PolarHBondContact O-N 2.83Å; M323-L325 VanDerWaalsContact C-N 3.32Å; M323-V326 HydrophobicContact CE-CB 4.06Å; M323-V326 HydrophobicContact CE-CG1 3.91Å; M323-V326 PolarHBondContact O-N 3.14Å; M323-V326 HydrophobicContact SD-CB 4.37Å; M323-V326 HydrophobicContact SD-CG2 4.47Å; M323-S327 WeakPolarHBondContact O-CB 3.36Å; M323-S327 PolarHBondContact O-N 3.39Å; M323-S327 PolarHBondContact O-OG 3.16Å; M323-V380 HydrophobicContact CE-CG1 4.01Å; M323-V380 HydrophobicContact CG-CB 4.46Å; M323-V380 HydrophobicContact CG-CG1 4.26Å; M323-V380 HydrophobicContact CG-CG2 4.21Å; M323-V380 HydrophobicContact SD-CG1 4.2Å; M323-A383 HydrophobicContact CB-CB 3.48Å; M323-A383 VanDerWaalsContact CB-CB 3.48Å; M323-V384 HydrophobicContact CE-CG2 3.53Å
324T87.8Confident88.8Confident4 Ų446 Ų463%0.02525%0.252CS..Hα-helixtrans-63.5-39167.2-61.70000111.2Q162 L163 T166 M320 V321 V322 V326 S327 I328Q162-T324 HydrophobicContact CB-CG2 4.23Å; Q162-T324 HydrophobicContact CG-CG2 3.81Å; L163-T324 HydrophobicContact CB-CG2 4.24Å; L163-T324 HydrophobicContact CD1-CG2 4.42Å; T166-T324 WeakPolarHBondContact CG2-OG1 3.36Å; T166-T324 PolarHBondContact OG1-OG1 3.46Å; M320-T324 VanDerWaalsContact O-CB 3.26Å; M320-T324 WeakPolarHBondContact O-CB 3.42Å; M320-T324 PolarHBondContact O-N 3.26Å; M320-T324 PolarHBondContact O-OG1 3.43Å; V321-T324 PolarHBondContact O-N 3.44Å; V322-T324 VanDerWaalsContact C-N 3.33Å; V322-T324 PolarHBondContact O-N 3.23Å; T324-V326 VanDerWaalsContact C-N 3.34Å; T324-S327 PolarHBondContact O-OG 3.02Å; T324-I328 WeakPolarHBondContact O-CD1 3.34Å; T324-I328 VanDerWaalsContact O-CG1 3.29Å; T324-I328 WeakPolarHBondContact O-CG1 3.41Å
325L88.4Confident88.4Confident90 Ų9044.6 Ų44.647%0.47124%0.244SC..Hα-helixtrans-70.8-29.9175.9-65.1172.3000112.6L163 V321 V322 M323 P329L163-L325 HydrophobicContact CD1-CD2 3.84Å; L163-L325 HydrophobicContact CD1-CG 4.05Å; L163-L325 HydrophobicContact CD2-CD2 3.88Å; L163-L325 HydrophobicContact CG-CD2 4.5Å; V321-L325 PolarHBondContact O-N 3.46Å; V322-L325 WeakPolarHBondContact O-CB 3.32Å; V322-L325 PolarHBondContact O-N 3.32Å; V322-L325 VanDerWaalsContact O-N 3.1Å; M323-L325 VanDerWaalsContact C-N 3.32Å; L325-P329 WeakPolarHBondContact O-CD 3.42Å
326V89.4Confident88.2Confident68 Ų6844.7 Ų44.741%0.41224%0.238SC..Hα-helixtrans-80-36.3178173.50000112.7V322 M323 T324 I328 P329 L330V322-V326 WeakPolarHBondContact O-CG2 3.36Å; V322-V326 PolarHBondContact O-N 3.4Å; V322-V326 VanDerWaalsContact O-N 3.08Å; M323-V326 HydrophobicContact CE-CB 4.06Å; M323-V326 HydrophobicContact CE-CG1 3.91Å; M323-V326 PolarHBondContact O-N 3.14Å; M323-V326 HydrophobicContact SD-CB 4.37Å; M323-V326 HydrophobicContact SD-CG2 4.47Å; T324-V326 VanDerWaalsContact C-N 3.34Å; V326-I328 VanDerWaalsContact C-N 3.28Å; V326-I328 PolarHBondContact O-N 3.44Å; V326-P329 VanDerWaalsContact O-CD 3.31Å; V326-P329 WeakPolarHBondContact O-CD 3.29Å; V326-P329 WeakPolarHBondContact O-CG 3.33Å; V326-L330 WeakPolarHBondContact O-CB 3.25Å
327S84.3Confident88.2Confident4 Ų448.4 Ų48.43%0.02825%0.252CS..Hα-helixtrans-69.1-26.2-176.364.10000113.1M323 T324 L330 M331 A383M323-S327 WeakPolarHBondContact O-CB 3.36Å; M323-S327 PolarHBondContact O-N 3.39Å; M323-S327 PolarHBondContact O-OG 3.16Å; T324-S327 PolarHBondContact O-OG 3.02Å; S327-L330 PolarHBondContact O-N 2.88Å; S327-M331 WeakPolarHBondContact O-CB 3.49Å; S327-M331 PolarHBondContact O-N 3.06Å; S327-A383 VanDerWaalsContact CB-O 3.24Å; S327-A383 WeakPolarHBondContact CB-O 3.32Å; S327-A383 PolarHBondContact OG-O 2.84Å
328I79.8Confident88.2Confident29 Ų2950.9 Ų50.915%0.14927%0.267CS..Hα-helixtrans-56.3-67.1176.3-60.2160.4000112.4T159 T324 V326 L330 M331T159-I328 HydrophobicContact CG2-CB 4.36Å; T159-I328 HydrophobicContact CG2-CD1 4Å; T159-I328 HydrophobicContact CG2-CG1 3.63Å; T159-I328 HydrophobicContact CG2-CG2 3.91Å; T324-I328 WeakPolarHBondContact O-CD1 3.34Å; T324-I328 VanDerWaalsContact O-CG1 3.29Å; T324-I328 WeakPolarHBondContact O-CG1 3.41Å; V326-I328 VanDerWaalsContact C-N 3.28Å; V326-I328 PolarHBondContact O-N 3.44Å; I328-L330 PolarHBondContact O-N 3.35Å; I328-L330 VanDerWaalsContact O-N 3.16Å; I328-M331 WeakPolarHBondContact O-CB 3.25Å; I328-M331 PolarHBondContact O-N 3.07Å; I328-M331 VanDerWaalsContact O-N 3.14Å
329P82.8Confident88.1Confident68 Ų6849 Ų4944%0.44225%0.251SS..Hα-helixtrans-66.3-18.7-179.929.1-38000113.1L325 V326 R333L325-P329 WeakPolarHBondContact O-CD 3.42Å; V326-P329 VanDerWaalsContact O-CD 3.31Å; V326-P329 WeakPolarHBondContact O-CD 3.29Å; V326-P329 WeakPolarHBondContact O-CG 3.33Å; P329-R333 WeakPolarHBondContact O-CD 3.43Å; P329-R333 VanDerWaalsContact O-CG 3.28Å; P329-R333 WeakPolarHBondContact O-CG 3.4Å
330L85.8Confident88.2Confident54 Ų5446.9 Ų46.928%0.28324%0.24SC..Hα-helixtrans-74.7-37.1175.5-170.863.2000111.5V326 S327 I328 D332 R333 T334 L339 V384V326-L330 WeakPolarHBondContact O-CB 3.25Å; S327-L330 PolarHBondContact O-N 2.88Å; I328-L330 PolarHBondContact O-N 3.35Å; I328-L330 VanDerWaalsContact O-N 3.16Å; L330-D332 VanDerWaalsContact C-N 3.34Å; L330-D332 PolarHBondContact O-N 3.35Å; L330-R333 PolarHBondContact O-N 2.73Å; L330-R333 VanDerWaalsContact O-N 3.13Å; L330-T334 WeakPolarHBondContact CD1-OG1 3.36Å; L330-T334 PolarHBondContact O-N 2.76Å; L330-L339 HydrophobicContact CB-CD1 4.48Å; L330-L339 HydrophobicContact CD1-CD2 4.44Å; L330-L339 HydrophobicContact CD2-CD1 4.47Å; L330-L339 HydrophobicContact CD2-CD2 3.66Å; L330-L339 HydrophobicContact CG-CD1 4Å; L330-L339 HydrophobicContact CG-CD2 3.72Å; L330-V384 HydrophobicContact CD2-CG1 4.12Å
331M80.4Confident88.4Confident19 Ų1947.8 Ų47.89%0.09425%0.245CC..Hα-helixtrans-63.2-36.6-179.3-160.9178.8-60.600113.4S327 I328 G335 R336 L339 S388 I389 M392S327-M331 WeakPolarHBondContact O-CB 3.49Å; S327-M331 PolarHBondContact O-N 3.06Å; I328-M331 WeakPolarHBondContact O-CB 3.25Å; I328-M331 PolarHBondContact O-N 3.07Å; I328-M331 VanDerWaalsContact O-N 3.14Å; M331-G335 PolarHBondContact O-N 2.87Å; M331-R336 PolarHBondContact O-NH1 3.04Å; M331-L339 HydrophobicContact CB-CD1 4.31Å; M331-S388 VanDerWaalsContact CE-OG 3.26Å; M331-S388 WeakPolarHBondContact CE-OG 3.26Å; M331-I389 HydrophobicContact CE-CG1 4.09Å; M331-M392 HydrophobicContact CG-CE 4.03Å; M331-M392 HydrophobicContact SD-CE 3.29Å; M331-M392 WeakPolarHBondContact SD-CE 3.42Å; M331-M392 HydrophobicContact SD-SD 3.82Å
332D78.7Confident88.5Confident97 Ų9753.5 Ų53.552%0.51927%0.265SS..Hα-helixtrans-82.3-16.6176.5-63.5-31.2000113L330 R336 K459L330-D332 VanDerWaalsContact C-N 3.34Å; L330-D332 PolarHBondContact O-N 3.35Å; D332-R336 IonicContact OD1-NH1 3.38Å; D332-R336 PolarHBondContact OD1-NH1 2.88Å; D332-K459 WeakPolarHBondContact O-CE 3.26Å; D332-K459 PolarHBondContact O-NZ 3.07Å
333R85.8Confident88.6Confident198 Ų19849.4 Ų49.475%0.74724%0.24SC*.Hα-helixtrans-86.1-60.3172.4-72.1175.2-179.9-163.3-1.1111.5P329 L330 K459P329-R333 WeakPolarHBondContact O-CD 3.43Å; P329-R333 VanDerWaalsContact O-CG 3.28Å; P329-R333 WeakPolarHBondContact O-CG 3.4Å; L330-R333 PolarHBondContact O-N 2.73Å; L330-R333 VanDerWaalsContact O-N 3.13Å; R333-K459 PolarHBondContact O-NZ 3.39Å
334T86.4Confident88.9Confident53 Ų5348 Ų4833%0.32523%0.234SC..Hα-helixtrans-89.5-20.3-163.4-54.60000115L330 T338 L339L330-T334 WeakPolarHBondContact CD1-OG1 3.36Å; L330-T334 PolarHBondContact O-N 2.76Å; T334-T338 HydrophobicContact CG2-CG2 3.63Å; T334-T338 PolarHBondContact O-OG1 2.99Å; T334-L339 HydrophobicContact CG2-CD2 3.8Å; T334-L339 HydrophobicContact CG2-CG 4Å
335G85.9Confident89.3Confident1 Ų148.6 Ų48.61%0.0124%0.24CC..  trans90.8157.3-176.700000113.8M331 L339M331-G335 PolarHBondContact O-N 2.87Å; G335-L339 WeakPolarHBondContact O-CG 3.32Å; G335-L339 PolarHBondContact O-N 3.24Å
336R89.2Confident89.8Confident25 Ų2544.6 Ų44.69%0.09422%0.221CC..Hα-helixtrans-76.1-47.2-165.7-69.972.9161.3114.55.7112M331 D332 T338 L339 H340 I389 M392 I393 E396 E457M331-R336 PolarHBondContact O-NH1 3.04Å; D332-R336 IonicContact OD1-NH1 3.38Å; D332-R336 PolarHBondContact OD1-NH1 2.88Å; R336-T338 VanDerWaalsContact C-N 3.34Å; R336-T338 PolarHBondContact O-N 3.18Å; R336-L339 PolarHBondContact O-N 2.93Å; R336-H340 PolarHBondContact O-N 2.88Å; R336-H340 VanDerWaalsContact O-N 3.12Å; R336-I389 HydrophobicContact CB-CG2 4.06Å; R336-I389 WeakPolarHBondContact O-CD1 3.28Å; R336-M392 HydrophobicContact CG-CE 3.31Å; R336-M392 VanDerWaalsContact NE-CE 3.26Å; R336-I393 HydrophobicContact CB-CD1 3.94Å; R336-I393 HydrophobicContact CB-CG1 4.08Å; R336-E396 IonicContact CZ-OE1 3.17Å; R336-E396 IonicContact NE-OE1 2.69Å; R336-E396 PolarHBondContact NE-OE1 3.36Å; R336-E396 IonicContact NE-OE2 2.72Å; R336-E396 IonicContact NH2-OE1 3.69Å; R336-E396 PolarHBondContact NH2-OE1 3.31Å; R336-E457 VanDerWaalsContact N-CD 3.31Å; R336-E457 PolarHBondContact N-OE1 2.89Å; R336-E457 PolarHBondContact N-OE2 2.7Å
337R92.9Very high90.2Very high79 Ų7941.4 Ų41.430%0.29820%0.201SC..Hα-helixtrans-64-42.9179.9179.2-167.6177.9-141.42.5110.6H340 L341 T451 Y452 V455 E457R337-H340 PolarHBondContact O-N 3.5Å; R337-L341 HydrophobicContact CG-CD1 4.23Å; R337-L341 WeakPolarHBondContact O-CG 3.24Å; R337-L341 PolarHBondContact O-N 2.84Å; R337-T451 HydrophobicContact CG-CG2 4.44Å; R337-Y452 PolarHBondContact NH2-O 3.48Å; R337-V455 HydrophobicContact CB-CG1 4.37Å; R337-V455 WeakPolarHBondContact CD-O 3.43Å; R337-V455 HydrophobicContact CG-CB 4.46Å; R337-V455 HydrophobicContact CG-CG1 4.24Å; R337-V455 PolarHBondContact NE-O 3.43Å; R337-E457 HydrophobicContact CB-CB 4.27Å; R337-E457 VanDerWaalsContact CB-OE2 3.31Å; R337-E457 WeakPolarHBondContact CB-OE2 3.49Å; R337-E457 PolarHBondContact N-OE2 3.21Å
338T93.8Very high90.8Very high51 Ų5144.9 Ų44.931%0.31322%0.216SC..Hα-helixtrans-62.3-44.3-178.6-49.10000112T334 R336 L341 Y342T334-T338 HydrophobicContact CG2-CG2 3.63Å; T334-T338 PolarHBondContact O-OG1 2.99Å; R336-T338 VanDerWaalsContact C-N 3.34Å; R336-T338 PolarHBondContact O-N 3.18Å; T338-L341 PolarHBondContact O-N 3.17Å; T338-Y342 HydrophobicContact CG2-CD2 4Å; T338-Y342 HydrophobicContact CG2-CE2 3.58Å; T338-Y342 VanDerWaalsContact O-CD2 3.27Å; T338-Y342 WeakPolarHBondContact O-CD2 3.45Å; T338-Y342 PolarHBondContact O-N 3.36Å
339L93.3Very high91.7Very high3 Ų347.8 Ų47.82%0.01623%0.231CC..Hα-helixtrans-73.5-33.8178.8-68.5173.7000113.4L330 M331 T334 G335 R336 L341 Y342 G343 V384 I389L330-L339 HydrophobicContact CB-CD1 4.48Å; L330-L339 HydrophobicContact CD1-CD2 4.44Å; L330-L339 HydrophobicContact CD2-CD1 4.47Å; L330-L339 HydrophobicContact CD2-CD2 3.66Å; L330-L339 HydrophobicContact CG-CD1 4Å; L330-L339 HydrophobicContact CG-CD2 3.72Å; M331-L339 HydrophobicContact CB-CD1 4.31Å; T334-L339 HydrophobicContact CG2-CD2 3.8Å; T334-L339 HydrophobicContact CG2-CG 4Å; G335-L339 WeakPolarHBondContact O-CG 3.32Å; G335-L339 PolarHBondContact O-N 3.24Å; R336-L339 PolarHBondContact O-N 2.93Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.9Å; L339-Y342 PolarHBondContact O-N 2.54Å; L339-G343 PolarHBondContact O-N 3.13Å; L339-V384 HydrophobicContact CD2-CG1 4.04Å; L339-I389 HydrophobicContact CB-CD1 3.59Å
340H95.3Very high92.3Very high0 Ų046.7 Ų46.70%022%0.219CC..Hα-helixtrans-63.6-38.5172-15867000111.3M279 S282 R336 R337 G343 L344 I389 T451M279-H340 HydrophobicContact CE-CB 4.44Å; M279-H340 WeakPolarHBondContact CE-NE2 3.23Å; S282-H340 PolarHBondContact OG-CE1 3.32Å; S282-H340 PolarHBondContact OG-NE2 2.94Å; R336-H340 PolarHBondContact O-N 2.88Å; R336-H340 VanDerWaalsContact O-N 3.12Å; R337-H340 PolarHBondContact O-N 3.5Å; H340-G343 PolarHBondContact O-N 2.93Å; H340-L344 WeakPolarHBondContact O-CB 3.35Å; H340-L344 VanDerWaalsContact O-CG 3.32Å; H340-L344 WeakPolarHBondContact O-CG 3.38Å; H340-L344 PolarHBondContact O-N 3.31Å; H340-I389 HydrophobicContact CB-CD1 4.46Å; H340-I389 HydrophobicContact CB-CG2 4.29Å; H340-T451 HydrophobicContact CB-CG2 4.33Å
341L96.8Very high92.8Very high22 Ų2244.1 Ų44.112%0.11521%0.206CC..Hα-helixtrans-65.6-43173.5-74.8168.5000113.3R337 T338 L339 G345 W448 T451 Y452R337-L341 HydrophobicContact CG-CD1 4.23Å; R337-L341 WeakPolarHBondContact O-CG 3.24Å; R337-L341 PolarHBondContact O-N 2.84Å; T338-L341 PolarHBondContact O-N 3.17Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.9Å; L341-G345 PolarHBondContact O-N 3.41Å; L341-W448 HydrophobicContact CD2-CD2 3.94Å; L341-W448 HydrophobicContact CD2-CG 4.04Å; L341-W448 HydrophobicContact CD2-CZ2 4.22Å; L341-W448 WeakPolarHBondContact CD2-O 3.23Å; L341-W448 VanDerWaalsContact O-CD1 3.23Å; L341-W448 PolarHBondContact O-NE1 3.13Å; L341-T451 HydrophobicContact CD2-CG2 3.78Å; L341-T451 HydrophobicContact CG-CG2 3.73Å; L341-Y452 HydrophobicContact CD1-CD2 4.23Å
342Y96Very high93.5Very high144 Ų14445.8 Ų45.857%0.56521%0.214SC*.Hα-helixtrans-65.4-41.8174.8-74.8-52.1000111.8T338 L339 G345 G346 F381T338-Y342 HydrophobicContact CG2-CD2 4Å; T338-Y342 HydrophobicContact CG2-CE2 3.58Å; T338-Y342 VanDerWaalsContact O-CD2 3.27Å; T338-Y342 WeakPolarHBondContact O-CD2 3.45Å; T338-Y342 PolarHBondContact O-N 3.36Å; L339-Y342 PolarHBondContact O-N 2.54Å; Y342-G345 PolarHBondContact O-N 3.07Å; Y342-G346 PolarHBondContact O-N 2.93Å; Y342-F381 VanDerWaalsContact O-CD1 3.29Å; Y342-F381 WeakPolarHBondContact O-CD1 3.44Å
343G96.5Very high94.2Very high0 Ų045.3 Ų45.30%021%0.208CC..Hα-helixtrans-61.1-56.4176.300000112.5L339 H340 G345 G346 M347 F381L339-G343 PolarHBondContact O-N 3.13Å; H340-G343 PolarHBondContact O-N 2.93Å; G343-G345 VanDerWaalsContact C-N 3.29Å; G343-G345 PolarHBondContact O-N 3.42Å; G343-G346 PolarHBondContact O-N 3.2Å; G343-M347 WeakPolarHBondContact O-CB 3.24Å; G343-M347 VanDerWaalsContact O-CG 3.24Å; G343-M347 WeakPolarHBondContact O-CG 3.3Å; G343-M347 PolarHBondContact O-N 3.08Å; G343-F381 WeakPolarHBondContact CA-O 3.44Å
344L97.6Very high94.5Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-58.5-39.2177.2-69.4176000112.5H340 F348 P386 L444 F447 W448H340-L344 WeakPolarHBondContact O-CB 3.35Å; H340-L344 VanDerWaalsContact O-CG 3.32Å; H340-L344 WeakPolarHBondContact O-CG 3.38Å; H340-L344 PolarHBondContact O-N 3.31Å; L344-F348 WeakPolarHBondContact O-CB 3.37Å; L344-F348 PolarHBondContact O-N 3.43Å; L344-P386 HydrophobicContact CD2-CG 3.88Å; L344-P386 HydrophobicContact CG-CG 4.05Å; L344-L444 HydrophobicContact CD2-CD2 3.66Å; L344-F447 HydrophobicContact CD1-CB 3.92Å; L344-F447 HydrophobicContact CD2-CB 4.38Å; L344-W448 HydrophobicContact CB-CB 4.34Å
345G97.4Very high94.8Very high16 Ų1633.9 Ų33.917%0.16516%0.16CC..Hα-helixtrans-69.8-41.6179.900000113.3L341 Y342 G343 F348 I349L341-G345 PolarHBondContact O-N 3.41Å; Y342-G345 PolarHBondContact O-N 3.07Å; G343-G345 VanDerWaalsContact C-N 3.29Å; G343-G345 PolarHBondContact O-N 3.42Å; G345-F348 PolarHBondContact O-N 3.33Å; G345-I349 WeakPolarHBondContact O-CG1 3.45Å; G345-I349 PolarHBondContact O-N 3.46Å; G345-I349 VanDerWaalsContact O-N 3.13Å
346G97.3Very high95Very high6 Ų637 Ų376%0.06218%0.176CC..Hα-helixtrans-68.5-42.5174.200000112.2Y342 G343 F348 I349 F350Y342-G346 PolarHBondContact O-N 2.93Å; G343-G346 PolarHBondContact O-N 3.2Å; G346-F348 VanDerWaalsContact C-N 3.28Å; G346-F348 PolarHBondContact O-N 3.43Å; G346-I349 PolarHBondContact O-N 3.4Å; G346-F350 WeakPolarHBondContact O-CD2 3.23Å; G346-F350 PolarHBondContact O-N 3.17Å
347M97.8Very high95Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-57.2-41.2172.8-71.2-178.881.600111.7G343 F350 S351 F378 F381 F382 P386 L444G343-M347 WeakPolarHBondContact O-CB 3.24Å; G343-M347 VanDerWaalsContact O-CG 3.24Å; G343-M347 WeakPolarHBondContact O-CG 3.3Å; G343-M347 PolarHBondContact O-N 3.08Å; M347-F350 PolarHBondContact O-N 3.18Å; M347-S351 WeakPolarHBondContact O-CB 3.5Å; M347-S351 PolarHBondContact O-N 2.69Å; M347-S351 PolarHBondContact O-OG 3.25Å; M347-F378 HydrophobicContact CB-CD2 3.97Å; M347-F378 HydrophobicContact CB-CE2 4.04Å; M347-F378 HydrophobicContact CE-CD1 4.07Å; M347-F378 HydrophobicContact CE-CD2 4.15Å; M347-F378 HydrophobicContact CE-CE1 3.54Å; M347-F378 HydrophobicContact CE-CE2 3.62Å; M347-F378 HydrophobicContact CE-CG 4.36Å; M347-F378 HydrophobicContact CE-CZ 3.29Å; M347-F378 HydrophobicContact CG-CD2 4.23Å; M347-F378 HydrophobicContact CG-CE2 4.4Å; M347-F378 WeakPolarHBondContact O-CD2 3.18Å; M347-F381 HydrophobicContact CG-CB 3.93Å; M347-F382 HydrophobicContact CE-CB 3.82Å; M347-F382 HydrophobicContact CE-CD2 3.89Å; M347-F382 HydrophobicContact CE-CG 4.29Å; M347-F382 HydrophobicContact CG-CB 4.5Å; M347-F382 VanDerWaalsContact SD-CA 3.58Å; M347-F382 HydrophobicContact SD-CB 3.71Å; M347-F382 HydrophobicContact SD-CD2 3.97Å; M347-F382 HydrophobicContact SD-CG 4.37Å; M347-P386 HydrophobicContact SD-CB 4.42Å; M347-P386 HydrophobicContact SD-CG 4.04Å; M347-L444 HydrophobicContact CB-CD1 3.91Å; M347-L444 HydrophobicContact CB-CD2 3.89Å; M347-L444 HydrophobicContact SD-CD2 4.37Å
348F97.9Very high94.7Very high78 Ų7832.5 Ų32.534%0.34216%0.159SC..Hα-helixtrans-61.5-46.6175.3173.2-98.7000112.6L344 G345 G346 F350 S351 I352 S441 L444 A445L344-F348 WeakPolarHBondContact O-CB 3.37Å; L344-F348 PolarHBondContact O-N 3.43Å; G345-F348 PolarHBondContact O-N 3.33Å; G346-F348 VanDerWaalsContact C-N 3.28Å; G346-F348 PolarHBondContact O-N 3.43Å; F348-F350 VanDerWaalsContact C-N 3.33Å; F348-F350 PolarHBondContact O-N 3.17Å; F348-S351 PolarHBondContact O-N 2.93Å; F348-S351 PolarHBondContact O-OG 2.82Å; F348-I352 HydrophobicContact CZ-CG1 4.43Å; F348-I352 WeakPolarHBondContact O-CG1 3.35Å; F348-I352 PolarHBondContact O-N 3.29Å; F348-S441 WeakPolarHBondContact CD2-O 3.42Å; F348-S441 WeakPolarHBondContact CE2-O 3.16Å; F348-L444 HydrophobicContact CB-CB 4.15Å; F348-L444 HydrophobicContact CD2-CB 4.45Å; F348-A445 HydrophobicContact CD2-CB 4.19Å; F348-A445 HydrophobicContact CE2-CB 4.04Å
349I97.4Very high94.4Very high90 Ų9033.4 Ų33.446%0.46216%0.162SC..Hα-helixtrans-61.7-44.6177.7-67.9164.9000110.3G345 G346 I352 F353G345-I349 WeakPolarHBondContact O-CG1 3.45Å; G345-I349 PolarHBondContact O-N 3.46Å; G345-I349 VanDerWaalsContact O-N 3.13Å; G346-I349 PolarHBondContact O-N 3.4Å; I349-I352 PolarHBondContact O-N 2.67Å; I349-F353 HydrophobicContact CG2-CD2 4.05Å; I349-F353 HydrophobicContact CG2-CE2 3.51Å; I349-F353 HydrophobicContact CG2-CZ 4.02Å; I349-F353 PolarHBondContact O-N 3.39Å; I349-F353 VanDerWaalsContact O-N 3.14Å
350F96.7Very high94Very high45 Ų4535.8 Ų35.820%0.19717%0.174CC..Hα-helixtrans-73.2-31.2-178.9-81.5-71.2000113.9G346 M347 F348 I352 F353 I354 A374 F378 F381G346-F350 WeakPolarHBondContact O-CD2 3.23Å; G346-F350 PolarHBondContact O-N 3.17Å; M347-F350 PolarHBondContact O-N 3.18Å; F348-F350 VanDerWaalsContact C-N 3.33Å; F348-F350 PolarHBondContact O-N 3.17Å; F350-I352 VanDerWaalsContact C-N 3.3Å; F350-I352 PolarHBondContact O-N 3.43Å; F350-F353 AromaticContact CD1-CD2 3.82Å; F350-F353 HydrophobicContact CD1-CD2 3.82Å; F350-F353 HydrophobicContact CE1-CD2 4.02Å; F350-F353 HydrophobicContact CG-CD2 4.47Å; F350-F353 PolarHBondContact O-N 3.3Å; F350-F353 VanDerWaalsContact O-N 3.14Å; F350-I354 WeakPolarHBondContact O-CG1 3.34Å; F350-I354 PolarHBondContact O-N 3.18Å; F350-A374 HydrophobicContact CD1-CB 4.1Å; F350-A374 WeakPolarHBondContact CD1-O 3.45Å; F350-F378 HydrophobicContact CB-CB 3.85Å; F350-F381 AromaticContact CD2-CD2 3.92Å; F350-F381 HydrophobicContact CD2-CD2 3.92Å; F350-F381 HydrophobicContact CD2-CE2 4.19Å; F350-F381 AromaticContact CE2-CD2 3.9Å; F350-F381 HydrophobicContact CE2-CD2 3.9Å; F350-F381 AromaticContact CE2-CE2 3.72Å; F350-F381 HydrophobicContact CE2-CE2 3.72Å
351S95.4Very high93.3Very high0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-67.2-30.8173.163.60000112.5M347 F348 T355 S441M347-S351 WeakPolarHBondContact O-CB 3.5Å; M347-S351 PolarHBondContact O-N 2.69Å; M347-S351 PolarHBondContact O-OG 3.25Å; F348-S351 PolarHBondContact O-N 2.93Å; F348-S351 PolarHBondContact O-OG 2.82Å; S351-T355 PolarHBondContact O-N 3.41Å; S351-T355 VanDerWaalsContact O-N 3.11Å; S351-T355 PolarHBondContact O-OG1 3.06Å; S351-S441 WeakPolarHBondContact CB-OG 3Å; S351-S441 PolarHBondContact OG-OG 3.14Å
352I95.2Very high92.4Very high53 Ų5344.9 Ų44.927%0.27222%0.215SC..Hα-helixtrans-67.5-42.8168.1-62.6-61000110.9F348 I349 F350 I354 T355 I356 L438F348-I352 HydrophobicContact CZ-CG1 4.43Å; F348-I352 WeakPolarHBondContact O-CG1 3.35Å; F348-I352 PolarHBondContact O-N 3.29Å; I349-I352 PolarHBondContact O-N 2.67Å; F350-I352 VanDerWaalsContact C-N 3.3Å; F350-I352 PolarHBondContact O-N 3.43Å; I352-I354 PolarHBondContact O-N 2.87Å; I352-T355 WeakPolarHBondContact O-CB 3.21Å; I352-T355 PolarHBondContact O-N 2.99Å; I352-I356 HydrophobicContact CG2-CD1 3.78Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 WeakPolarHBondContact O-CG1 3.38Å; I352-I356 PolarHBondContact O-N 3.37Å; I352-L438 HydrophobicContact CD1-CD1 4.34Å
353F93.8Very high91.5Very high88 Ų8845.5 Ų45.539%0.38623%0.225SC..Hα-helixtrans-64.7-35.8175.6-67.1-37.1000113.7I349 F350 I356 S357 A374I349-F353 HydrophobicContact CG2-CD2 4.05Å; I349-F353 HydrophobicContact CG2-CE2 3.51Å; I349-F353 HydrophobicContact CG2-CZ 4.02Å; I349-F353 PolarHBondContact O-N 3.39Å; I349-F353 VanDerWaalsContact O-N 3.14Å; F350-F353 AromaticContact CD1-CD2 3.82Å; F350-F353 HydrophobicContact CD1-CD2 3.82Å; F350-F353 HydrophobicContact CE1-CD2 4.02Å; F350-F353 HydrophobicContact CG-CD2 4.47Å; F350-F353 PolarHBondContact O-N 3.3Å; F350-F353 VanDerWaalsContact O-N 3.14Å; F353-I356 HydrophobicContact CD1-CD1 4.46Å; F353-I356 PolarHBondContact O-N 3.38Å; F353-S357 WeakPolarHBondContact O-CB 3.47Å; F353-S357 PolarHBondContact O-N 3.41Å; F353-S357 PolarHBondContact O-OG 3.14Å; F353-A374 HydrophobicContact CB-CB 3.87Å
354I92.4Very high90.7Very high0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-60.6-48.1170.9-65.1165.4000109.9F350 I352 I356 S357 F358 A374 F378 F437F350-I354 WeakPolarHBondContact O-CG1 3.34Å; F350-I354 PolarHBondContact O-N 3.18Å; I352-I354 PolarHBondContact O-N 2.87Å; I354-I356 PolarHBondContact O-N 3.25Å; I354-S357 WeakPolarHBondContact O-CB 3.42Å; I354-S357 PolarHBondContact O-N 3.19Å; I354-S357 VanDerWaalsContact O-N 3.17Å; I354-F358 HydrophobicContact CG2-CD2 4.38Å; I354-F358 HydrophobicContact CG2-CE1 4.1Å; I354-F358 HydrophobicContact CG2-CE2 3.83Å; I354-F358 HydrophobicContact CG2-CZ 3.67Å; I354-F358 PolarHBondContact O-N 2.88Å; I354-A374 HydrophobicContact CG1-CB 3.74Å; I354-F378 HydrophobicContact CD1-CB 4.32Å; I354-F378 HydrophobicContact CD1-CG 4.46Å; I354-F437 HydrophobicContact CB-CG 4.39Å; I354-F437 HydrophobicContact CD1-CD1 4.09Å; I354-F437 HydrophobicContact CD1-CE1 3.95Å; I354-F437 HydrophobicContact CD1-CZ 4.31Å; I354-F437 HydrophobicContact CG2-CB 4.44Å; I354-F437 HydrophobicContact CG2-CD1 4.47Å; I354-F437 HydrophobicContact CG2-CD2 3.57Å; I354-F437 HydrophobicContact CG2-CE2 3.87Å; I354-F437 HydrophobicContact CG2-CG 3.91Å; I354-F437 HydrophobicContact CG2-CZ 4.44Å
355T92Very high89.6Confident10 Ų1055.3 Ų55.36%0.06128%0.277CS..Hα-helixtrans-59.8-44.7178.5-530000111.8S351 I352 S357 F358 L359 Y435S351-T355 PolarHBondContact O-N 3.41Å; S351-T355 VanDerWaalsContact O-N 3.11Å; S351-T355 PolarHBondContact O-OG1 3.06Å; I352-T355 WeakPolarHBondContact O-CB 3.21Å; I352-T355 PolarHBondContact O-N 2.99Å; T355-S357 VanDerWaalsContact C-N 3.35Å; T355-S357 PolarHBondContact O-N 2.99Å; T355-F358 PolarHBondContact O-N 3.19Å; T355-L359 HydrophobicContact CG2-CD1 4.22Å; T355-L359 WeakPolarHBondContact O-CG 3.26Å; T355-L359 PolarHBondContact O-N 3.35Å; T355-L359 VanDerWaalsContact O-N 3.13Å; T355-Y435 HydrophobicContact CG2-CD1 4.37Å
356I90.8Very high88.7Confident67 Ų6761.9 Ų61.934%0.34430%0.297SS..Hα-helixtrans-63.3-40.7175.8-69.1168.4000111.2I352 F353 I354 F358 L359 I360I352-I356 HydrophobicContact CG2-CD1 3.78Å; I352-I356 HydrophobicContact CG2-CG1 4.37Å; I352-I356 WeakPolarHBondContact O-CG1 3.38Å; I352-I356 PolarHBondContact O-N 3.37Å; F353-I356 HydrophobicContact CD1-CD1 4.46Å; F353-I356 PolarHBondContact O-N 3.38Å; I354-I356 PolarHBondContact O-N 3.25Å; I356-F358 VanDerWaalsContact C-N 3.33Å; I356-F358 PolarHBondContact O-N 3.24Å; I356-L359 PolarHBondContact O-N 3.01Å; I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 WeakPolarHBondContact O-CG1 3.36Å; I356-I360 PolarHBondContact O-N 3.18Å; I356-I360 VanDerWaalsContact O-N 3.16Å
357S88.8Confident88Confident1 Ų162.5 Ų62.51%0.00730%0.298CS..Hα-helixtrans-60.6-42.7177.6-55.30000111.4F353 I354 T355 I360 K361 L370 S371F353-S357 WeakPolarHBondContact O-CB 3.47Å; F353-S357 PolarHBondContact O-N 3.41Å; F353-S357 PolarHBondContact O-OG 3.14Å; I354-S357 WeakPolarHBondContact O-CB 3.42Å; I354-S357 PolarHBondContact O-N 3.19Å; I354-S357 VanDerWaalsContact O-N 3.17Å; T355-S357 VanDerWaalsContact C-N 3.35Å; T355-S357 PolarHBondContact O-N 2.99Å; S357-I360 PolarHBondContact O-N 3.14Å; S357-K361 PolarHBondContact O-N 2.96Å; S357-K361 VanDerWaalsContact O-N 3.1Å; S357-L370 WeakPolarHBondContact OG-CG 3.4Å; S357-S371 PolarHBondContact OG-N 2.79Å
358F86.5Confident87.2Confident9 Ų963.3 Ų63.34%0.03930%0.304CS..Hα-helixtrans-67.2-35177.4-67-8.5000113.2L298 I354 T355 I356 K361 S371 N434 F437L298-F358 HydrophobicContact CD2-CE2 4.15Å; L298-F358 HydrophobicContact CD2-CZ 3.96Å; I354-F358 HydrophobicContact CG2-CD2 4.38Å; I354-F358 HydrophobicContact CG2-CE1 4.1Å; I354-F358 HydrophobicContact CG2-CE2 3.83Å; I354-F358 HydrophobicContact CG2-CZ 3.67Å; I354-F358 PolarHBondContact O-N 2.88Å; T355-F358 PolarHBondContact O-N 3.19Å; I356-F358 VanDerWaalsContact C-N 3.33Å; I356-F358 PolarHBondContact O-N 3.24Å; F358-K361 WeakPolarHBondContact O-CD 3.37Å; F358-K361 WeakPolarHBondContact O-CG 3.35Å; F358-S371 VanDerWaalsContact CE1-OG 3.25Å; F358-S371 WeakPolarHBondContact CE1-OG 3.42Å; F358-N434 HydrophobicContact CB-CB 3.82Å; F358-N434 VanDerWaalsContact O-CG 3.31Å; F358-N434 PolarHBondContact O-OD1 3.45Å; F358-F437 HydrophobicContact CE2-CD2 4.08Å; F358-F437 HydrophobicContact CE2-CE2 4.32Å
359L87.4Confident86.6Confident69 Ų6967.6 Ų67.636%0.36132%0.319SS..Hα-helixtrans-73-25.5179-69.7168.1000113.8T355 I356 N434 Y435T355-L359 HydrophobicContact CG2-CD1 4.22Å; T355-L359 WeakPolarHBondContact O-CG 3.26Å; T355-L359 PolarHBondContact O-N 3.35Å; T355-L359 VanDerWaalsContact O-N 3.13Å; I356-L359 PolarHBondContact O-N 3.01Å; L359-N434 HydrophobicContact CD2-CB 3.72Å; L359-N434 HydrophobicContact CG-CB 4.18Å; L359-Y435 HydrophobicContact CD1-CD1 4.41Å; L359-Y435 HydrophobicContact CD1-CE1 3.87Å; L359-Y435 HydrophobicContact CD2-CD1 4.41Å; L359-Y435 HydrophobicContact CD2-CE1 3.79Å; L359-Y435 HydrophobicContact CD2-CE2 4.01Å; L359-Y435 HydrophobicContact CG-CE1 4.41Å
360I85.8Confident86.2Confident53 Ų5365.8 Ų65.827%0.27231%0.31SS..Hα-helixtrans-107.1-7.4-174.1-54.9177.5000112.2I356 S357 E362 M363 I364 M367I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 WeakPolarHBondContact O-CG1 3.36Å; I356-I360 PolarHBondContact O-N 3.18Å; I356-I360 VanDerWaalsContact O-N 3.16Å; S357-I360 PolarHBondContact O-N 3.14Å; I360-E362 PolarHBondContact O-N 3.4Å; I360-E362 VanDerWaalsContact O-N 3.1Å; I360-M363 HydrophobicContact CG2-CB 4.34Å; I360-M363 PolarHBondContact O-N 3.08Å; I360-I364 HydrophobicContact CG2-CB 4.38Å; I360-I364 HydrophobicContact CG2-CD1 3.9Å; I360-I364 HydrophobicContact CG2-CG1 4.13Å; I360-I364 PolarHBondContact O-N 3.23Å; I360-M367 HydrophobicContact CB-CG 4.26Å; I360-M367 HydrophobicContact CG2-CE 4.19Å; I360-M367 HydrophobicContact CG2-CG 4.05Å
361K80.7Confident85.8Confident50 Ų5063.7 Ų63.722%0.21730%0.301CS..THydrogen-bonded Turntrans-51.1-37.4-177.877.5-167.6-177.6-1670114.5S301 S357 F358 M363 N434S301-K361 PolarHBondContact O-NZ 2.83Å; S357-K361 PolarHBondContact O-N 2.96Å; S357-K361 VanDerWaalsContact O-N 3.1Å; F358-K361 WeakPolarHBondContact O-CD 3.37Å; F358-K361 WeakPolarHBondContact O-CG 3.35Å; K361-M363 VanDerWaalsContact C-N 3.3Å; K361-M363 PolarHBondContact O-N 3.48Å; K361-N434 PolarHBondContact NZ-OD1 3.27Å
362E77.7Confident85.6Confident163 Ų16364.7 Ų64.776%0.76231%0.307SS*.THydrogen-bonded Turntrans-80.5-10.5-177.2-64.8174.6-158.400113.3I360I360-E362 PolarHBondContact O-N 3.4Å; I360-E362 VanDerWaalsContact O-N 3.1Å
363M77.5Confident85.5Confident158 Ų15866.4 Ų66.478%0.77832%0.32SS*.THydrogen-bonded Turntrans-100.2-23.4176.1-58.9-175.772.400112.7I360 K361I360-M363 HydrophobicContact CG2-CB 4.34Å; I360-M363 PolarHBondContact O-N 3.08Å; K361-M363 VanDerWaalsContact C-N 3.3Å; K361-M363 PolarHBondContact O-N 3.48Å
364I79.8Confident85.5Confident60 Ų6062.2 Ų62.231%0.30830%0.302SS..  trans-150.1104.1-167.5-57.9-178000110.4I360 W366 M367I360-I364 HydrophobicContact CG2-CB 4.38Å; I360-I364 HydrophobicContact CG2-CD1 3.9Å; I360-I364 HydrophobicContact CG2-CG1 4.13Å; I360-I364 PolarHBondContact O-N 3.23Å; I364-W366 HydrophobicContact CG2-CD2 4.25Å; I364-W366 HydrophobicContact CG2-CG 3.86Å; I364-W366 PolarHBondContact O-N 2.99Å; I364-W366 VanDerWaalsContact O-N 3.08Å; I364-M367 HydrophobicContact CB-CE 4.4Å; I364-M367 HydrophobicContact CB-CG 3.84Å; I364-M367 HydrophobicContact CD1-CE 3.92Å; I364-M367 HydrophobicContact CG2-CE 4.13Å; I364-M367 HydrophobicContact CG2-CG 3.98Å; I364-M367 WeakPolarHBondContact O-CB 3.4Å; I364-M367 WeakPolarHBondContact O-CG 3.32Å; I364-M367 PolarHBondContact O-N 3.06Å
365D73.8Confident85.6Confident145 Ų14562.3 Ų62.378%0.77530%0.302SS*.THydrogen-bonded Turntrans-53.9-34.8-174.4-51.8-52.2000114.2M367 S368D365-M367 PolarHBondContact O-N 2.99Å; D365-S368 WeakPolarHBondContact O-CB 3.41Å; D365-S368 PolarHBondContact O-N 3.38Å; D365-S368 PolarHBondContact O-OG 3.36Å
366W79.1Confident85.7Confident155 Ų15563.6 Ų63.659%0.58731%0.308SS*.THydrogen-bonded Turntrans-73.2-11.1-177.375-100.2000114.2I364 S368 Y369 L370I364-W366 HydrophobicContact CG2-CD2 4.25Å; I364-W366 HydrophobicContact CG2-CG 3.86Å; I364-W366 PolarHBondContact O-N 2.99Å; I364-W366 VanDerWaalsContact O-N 3.08Å; W366-S368 PolarHBondContact O-N 3.36Å; W366-S368 VanDerWaalsContact O-N 3.17Å; W366-Y369 HydrophobicContact CB-CD2 4.42Å; W366-Y369 WeakPolarHBondContact O-CB 3.41Å; W366-Y369 PolarHBondContact O-N 2.87Å; W366-L370 HydrophobicContact CZ3-CB 4.33Å
367M81.2Confident86Confident18 Ų1860.9 Ų60.99%0.08930%0.297CS..Hα-helixtrans-62.5-21.4175.1-68.2-65.4166.600112.9I360 I364 D365 Y369 L370 S371I360-M367 HydrophobicContact CB-CG 4.26Å; I360-M367 HydrophobicContact CG2-CE 4.19Å; I360-M367 HydrophobicContact CG2-CG 4.05Å; I364-M367 HydrophobicContact CB-CE 4.4Å; I364-M367 HydrophobicContact CB-CG 3.84Å; I364-M367 HydrophobicContact CD1-CE 3.92Å; I364-M367 HydrophobicContact CG2-CE 4.13Å; I364-M367 HydrophobicContact CG2-CG 3.98Å; I364-M367 WeakPolarHBondContact O-CB 3.4Å; I364-M367 WeakPolarHBondContact O-CG 3.32Å; I364-M367 PolarHBondContact O-N 3.06Å; D365-M367 PolarHBondContact O-N 2.99Å; M367-Y369 PolarHBondContact O-N 2.89Å; M367-L370 WeakPolarHBondContact O-CB 3.21Å; M367-L370 PolarHBondContact O-N 2.89Å; M367-L370 VanDerWaalsContact O-N 3.08Å; M367-L370 HydrophobicContact SD-CB 4.18Å; M367-L370 HydrophobicContact SD-CD2 3.58Å; M367-L370 VanDerWaalsContact SD-CD2 3.58Å; M367-S371 PolarHBondContact O-N 3.47Å
368S80.9Confident86.3Confident18 Ų1860.9 Ų60.913%0.12630%0.297CS..Hα-helixtrans-46.7-47.5164.9-530000112.1S302 D365 W366 S371 V372S302-S368 PolarHBondContact O-OG 2.62Å; D365-S368 WeakPolarHBondContact O-CB 3.41Å; D365-S368 PolarHBondContact O-N 3.38Å; D365-S368 PolarHBondContact O-OG 3.36Å; W366-S368 PolarHBondContact O-N 3.36Å; W366-S368 VanDerWaalsContact O-N 3.17Å; S368-S371 PolarHBondContact O-N 2.9Å; S368-V372 PolarHBondContact O-N 3.13Å
369Y85.4Confident86.8Confident167 Ų16760.4 Ų60.466%0.65530%0.295SS*.Hα-helixtrans-74.2-32.9178.7-61.4-80.1000112.5W366 M367 S371 V372 V373W366-Y369 HydrophobicContact CB-CD2 4.42Å; W366-Y369 WeakPolarHBondContact O-CB 3.41Å; W366-Y369 PolarHBondContact O-N 2.87Å; M367-Y369 PolarHBondContact O-N 2.89Å; Y369-S371 VanDerWaalsContact C-N 3.3Å; Y369-S371 PolarHBondContact O-N 3.34Å; Y369-V372 PolarHBondContact O-N 3.43Å; Y369-V373 WeakPolarHBondContact O-CG2 3.42Å; Y369-V373 PolarHBondContact O-N 2.8Å
370L88.8Confident87.2Confident53 Ų5359.1 Ų59.128%0.27729%0.29SS..Hα-helixtrans-62.8-39.6174-173.864.1000110.8S357 W366 M367 V372 V373 A374S357-L370 WeakPolarHBondContact OG-CG 3.4Å; W366-L370 HydrophobicContact CZ3-CB 4.33Å; M367-L370 WeakPolarHBondContact O-CB 3.21Å; M367-L370 PolarHBondContact O-N 2.89Å; M367-L370 VanDerWaalsContact O-N 3.08Å; M367-L370 HydrophobicContact SD-CB 4.18Å; M367-L370 HydrophobicContact SD-CD2 3.58Å; M367-L370 VanDerWaalsContact SD-CD2 3.58Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.14Å; L370-V373 PolarHBondContact O-N 3.28Å; L370-A374 WeakPolarHBondContact O-CB 3.35Å; L370-A374 PolarHBondContact O-N 3.31Å
371S88.5Confident87.7Confident1 Ų159.7 Ų59.71%0.00729%0.29CS..Hα-helixtrans-62.3-38.8174-169.40000112.6S357 F358 M367 S368 Y369 T375S357-S371 PolarHBondContact OG-N 2.79Å; F358-S371 VanDerWaalsContact CE1-OG 3.25Å; F358-S371 WeakPolarHBondContact CE1-OG 3.42Å; M367-S371 PolarHBondContact O-N 3.47Å; S368-S371 PolarHBondContact O-N 2.9Å; Y369-S371 VanDerWaalsContact C-N 3.3Å; Y369-S371 PolarHBondContact O-N 3.34Å; S371-T375 WeakPolarHBondContact O-CB 3.29Å; S371-T375 PolarHBondContact O-N 2.98Å; S371-T375 PolarHBondContact O-OG1 3.03Å; S371-T375 VanDerWaalsContact O-OG1 3.05Å
372V91.3Very high88.4Confident20 Ų2057.8 Ų57.812%0.12128%0.282CS..Hα-helixtrans-65.2-52.6175.2175.40000110.5F299 L304 A312 S368 Y369 L370 A374 T375 L376F299-V372 HydrophobicContact CD1-CG2 3.82Å; F299-V372 HydrophobicContact CE1-CB 4.3Å; F299-V372 HydrophobicContact CE1-CG2 3.89Å; F299-V372 HydrophobicContact CG-CG2 4.43Å; L304-V372 HydrophobicContact CD1-CG2 3.94Å; L304-V372 HydrophobicContact CD2-CG2 3.68Å; L304-V372 HydrophobicContact CG-CG2 4.48Å; A312-V372 HydrophobicContact CB-CG1 4.09Å; A312-V372 HydrophobicContact CB-CG2 4.22Å; S368-V372 PolarHBondContact O-N 3.13Å; Y369-V372 PolarHBondContact O-N 3.43Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.14Å; V372-A374 VanDerWaalsContact C-N 3.25Å; V372-A374 PolarHBondContact O-N 3.16Å; V372-T375 PolarHBondContact O-N 2.9Å; V372-L376 HydrophobicContact CG1-CD1 3.81Å; V372-L376 HydrophobicContact CG1-CG 4.29Å; V372-L376 WeakPolarHBondContact O-CB 3.4Å; V372-L376 VanDerWaalsContact O-CG 3.27Å; V372-L376 WeakPolarHBondContact O-CG 3.31Å; V372-L376 PolarHBondContact O-N 3.21Å
373V93.3Very high89Confident89 Ų8950.2 Ų50.254%0.53925%0.248SC..Hα-helixtrans-58.7-38.6178.81730000111.3Y369 L370 G377Y369-V373 WeakPolarHBondContact O-CG2 3.42Å; Y369-V373 PolarHBondContact O-N 2.8Å; L370-V373 PolarHBondContact O-N 3.28Å; V373-G377 PolarHBondContact O-N 3.48Å
374A94.5Very high89.6Confident1 Ų143.4 Ų43.41%0.00822%0.215CC..Hα-helixtrans-69.4-42.9178.900000112.8F350 F353 I354 L370 V372 G377 F378F350-A374 HydrophobicContact CD1-CB 4.1Å; F350-A374 WeakPolarHBondContact CD1-O 3.45Å; F353-A374 HydrophobicContact CB-CB 3.87Å; I354-A374 HydrophobicContact CG1-CB 3.74Å; L370-A374 WeakPolarHBondContact O-CB 3.35Å; L370-A374 PolarHBondContact O-N 3.31Å; V372-A374 VanDerWaalsContact C-N 3.25Å; V372-A374 PolarHBondContact O-N 3.16Å; A374-G377 PolarHBondContact O-N 3.38Å; A374-F378 WeakPolarHBondContact O-CB 3.28Å; A374-F378 PolarHBondContact O-N 2.67Å
375T94.2Very high90.1Very high2 Ų240.5 Ų40.51%0.01220%0.2CC..Hα-helixtrans-65-39.5174-62.10000111.9V291 F299 I316 S371 V372 F378 V379V291-T375 HydrophobicContact CG1-CG2 3.76Å; V291-T375 HydrophobicContact CG2-CG2 4.33Å; F299-T375 HydrophobicContact CE1-CG2 4.05Å; F299-T375 HydrophobicContact CZ-CG2 3.73Å; I316-T375 HydrophobicContact CD1-CG2 4.01Å; S371-T375 WeakPolarHBondContact O-CB 3.29Å; S371-T375 PolarHBondContact O-N 2.98Å; S371-T375 PolarHBondContact O-OG1 3.03Å; S371-T375 VanDerWaalsContact O-OG1 3.05Å; V372-T375 PolarHBondContact O-N 2.9Å; T375-F378 WeakPolarHBondContact O-CB 3.49Å; T375-F378 PolarHBondContact O-N 3.49Å; T375-V379 VanDerWaalsContact O-CG2 3.25Å; T375-V379 WeakPolarHBondContact O-CG2 3.42Å; T375-V379 PolarHBondContact O-N 3.23Å
376L94.4Very high90.9Very high36 Ų3633.6 Ų33.619%0.18816%0.163CC..Hα-helixtrans-64.2-41.6174-66.6174.8000111.3I316 I319 V372 V379 V380I316-L376 HydrophobicContact CG1-CD2 3.85Å; I319-L376 HydrophobicContact CD1-CB 3.78Å; I319-L376 HydrophobicContact CD1-CD1 4.41Å; I319-L376 HydrophobicContact CD1-CD2 3.81Å; I319-L376 HydrophobicContact CD1-CG 4.18Å; V372-L376 HydrophobicContact CG1-CD1 3.81Å; V372-L376 HydrophobicContact CG1-CG 4.29Å; V372-L376 WeakPolarHBondContact O-CB 3.4Å; V372-L376 VanDerWaalsContact O-CG 3.27Å; V372-L376 WeakPolarHBondContact O-CG 3.31Å; V372-L376 PolarHBondContact O-N 3.21Å; L376-V379 PolarHBondContact O-N 3.4Å; L376-V380 WeakPolarHBondContact O-CG2 3.42Å; L376-V380 PolarHBondContact O-N 2.96Å
377G96.1Very high91.3Very high11 Ų1126.6 Ų26.611%0.11314%0.139CC..Hα-helixtrans-61.7-45.4173.500000113.3V373 A374 V379 V380 F381V373-G377 PolarHBondContact O-N 3.48Å; A374-G377 PolarHBondContact O-N 3.38Å; G377-V379 VanDerWaalsContact C-N 3.29Å; G377-V379 PolarHBondContact O-N 3.48Å; G377-V380 WeakPolarHBondContact O-CB 3.46Å; G377-V380 PolarHBondContact O-N 2.93Å; G377-F381 WeakPolarHBondContact O-CD2 3.42Å; G377-F381 PolarHBondContact O-N 2.86Å; G377-F381 VanDerWaalsContact O-N 3.1Å
378F96.5Very high91.4Very high0 Ų026.8 Ų26.80%014%0.142CC..Hα-helixtrans-54.6-44.1172.9177-90.1000111.9S286 I288 V291 M347 F350 I354 A374 T375 F381 F382 F437 L444S286-F378 VanDerWaalsContact O-CZ 3.31Å; S286-F378 WeakPolarHBondContact O-CZ 3.43Å; I288-F378 HydrophobicContact CD1-CD1 4.33Å; I288-F378 HydrophobicContact CD1-CE1 3.99Å; V291-F378 HydrophobicContact CG2-CD1 4.19Å; V291-F378 HydrophobicContact CG2-CE1 3.87Å; M347-F378 HydrophobicContact CB-CD2 3.97Å; M347-F378 HydrophobicContact CB-CE2 4.04Å; M347-F378 HydrophobicContact CE-CD1 4.07Å; M347-F378 HydrophobicContact CE-CD2 4.15Å; M347-F378 HydrophobicContact CE-CE1 3.54Å; M347-F378 HydrophobicContact CE-CE2 3.62Å; M347-F378 HydrophobicContact CE-CG 4.36Å; M347-F378 HydrophobicContact CE-CZ 3.29Å; M347-F378 HydrophobicContact CG-CD2 4.23Å; M347-F378 HydrophobicContact CG-CE2 4.4Å; M347-F378 WeakPolarHBondContact O-CD2 3.18Å; F350-F378 HydrophobicContact CB-CB 3.85Å; I354-F378 HydrophobicContact CD1-CB 4.32Å; I354-F378 HydrophobicContact CD1-CG 4.46Å; A374-F378 WeakPolarHBondContact O-CB 3.28Å; A374-F378 PolarHBondContact O-N 2.67Å; T375-F378 WeakPolarHBondContact O-CB 3.49Å; T375-F378 PolarHBondContact O-N 3.49Å; F378-F381 PolarHBondContact O-N 2.74Å; F378-F382 PolarHBondContact O-N 2.73Å; F378-F437 HydrophobicContact CZ-CE1 4.42Å; F378-L444 HydrophobicContact CE2-CD1 4.18Å
379V95.5Very high91.8Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-66.8-39.1177169.20000112.5I288 V291 I316 I319 M320 T375 L376 G377 F381 F382 A383I288-V379 HydrophobicContact CD1-CG2 4.16Å; V291-V379 HydrophobicContact CG1-CG2 4.02Å; I316-V379 HydrophobicContact CG1-CG2 4.34Å; I316-V379 HydrophobicContact CG2-CG1 4.08Å; I316-V379 HydrophobicContact CG2-CG2 3.93Å; I319-V379 HydrophobicContact CG2-CG1 4.01Å; M320-V379 HydrophobicContact CG-CG1 3.65Å; M320-V379 HydrophobicContact SD-CG1 3.64Å; T375-V379 VanDerWaalsContact O-CG2 3.25Å; T375-V379 WeakPolarHBondContact O-CG2 3.42Å; T375-V379 PolarHBondContact O-N 3.23Å; L376-V379 PolarHBondContact O-N 3.4Å; G377-V379 VanDerWaalsContact C-N 3.29Å; G377-V379 PolarHBondContact O-N 3.48Å; V379-F381 VanDerWaalsContact C-N 3.35Å; V379-F381 PolarHBondContact O-N 2.89Å; V379-F382 PolarHBondContact O-N 3.31Å; V379-A383 PolarHBondContact O-N 3.32Å; V379-A383 VanDerWaalsContact O-N 3.1Å
380V96Very high92.1Very high41 Ų4118 Ų1825%0.24811%0.105CC..Hα-helixtrans-55.4-50.4172169.10000110.5I319 M323 L376 G377 F382 A383 V384I319-V380 HydrophobicContact CD1-CG2 4.35Å; I319-V380 HydrophobicContact CG2-CB 4.47Å; I319-V380 HydrophobicContact CG2-CG2 3.5Å; I319-V380 VanDerWaalsContact CG2-CG2 3.5Å; M323-V380 HydrophobicContact CE-CG1 4.01Å; M323-V380 HydrophobicContact CG-CB 4.46Å; M323-V380 HydrophobicContact CG-CG1 4.26Å; M323-V380 HydrophobicContact CG-CG2 4.21Å; M323-V380 HydrophobicContact SD-CG1 4.2Å; L376-V380 WeakPolarHBondContact O-CG2 3.42Å; L376-V380 PolarHBondContact O-N 2.96Å; G377-V380 WeakPolarHBondContact O-CB 3.46Å; G377-V380 PolarHBondContact O-N 2.93Å; V380-F382 PolarHBondContact O-N 2.71Å; V380-A383 PolarHBondContact O-N 2.69Å; V380-V384 WeakPolarHBondContact O-CG2 3.32Å; V380-V384 PolarHBondContact O-N 2.67Å
381F96Very high92Very high65 Ų6518.5 Ų18.529%0.28510%0.103SC..Hα-helixtrans-70.8-30.3-176.9-82.2-81.2000113.4Y342 G343 M347 F350 G377 F378 V379Y342-F381 VanDerWaalsContact O-CD1 3.29Å; Y342-F381 WeakPolarHBondContact O-CD1 3.44Å; G343-F381 WeakPolarHBondContact CA-O 3.44Å; M347-F381 HydrophobicContact CG-CB 3.93Å; F350-F381 AromaticContact CD2-CD2 3.92Å; F350-F381 HydrophobicContact CD2-CD2 3.92Å; F350-F381 HydrophobicContact CD2-CE2 4.19Å; F350-F381 AromaticContact CE2-CD2 3.9Å; F350-F381 HydrophobicContact CE2-CD2 3.9Å; F350-F381 AromaticContact CE2-CE2 3.72Å; F350-F381 HydrophobicContact CE2-CE2 3.72Å; G377-F381 WeakPolarHBondContact O-CD2 3.42Å; G377-F381 PolarHBondContact O-N 2.86Å; G377-F381 VanDerWaalsContact O-N 3.1Å; F378-F381 PolarHBondContact O-N 2.74Å; V379-F381 VanDerWaalsContact C-N 3.35Å; V379-F381 PolarHBondContact O-N 2.89Å
382F95.1Very high91.8Very high10 Ų1021 Ų214%0.04412%0.115CC..Hα-helixtrans-59.6-49.8168.5177.3-101000112.3Q283 I288 F292 M320 M347 F378 V379 V380 V384 G385 P386 G387Q283-F382 HydrophobicContact CG-CE2 4.15Å; Q283-F382 HydrophobicContact CG-CZ 4.27Å; I288-F382 HydrophobicContact CB-CD2 3.85Å; I288-F382 HydrophobicContact CB-CE2 3.86Å; I288-F382 HydrophobicContact CB-CG 4.24Å; I288-F382 HydrophobicContact CB-CZ 4.23Å; I288-F382 HydrophobicContact CD1-CB 3.87Å; I288-F382 HydrophobicContact CD1-CD1 3.79Å; I288-F382 HydrophobicContact CD1-CD2 4.14Å; I288-F382 HydrophobicContact CD1-CE1 4.39Å; I288-F382 HydrophobicContact CD1-CG 3.64Å; I288-F382 HydrophobicContact CG1-CB 4.45Å; I288-F382 HydrophobicContact CG1-CD1 3.69Å; I288-F382 HydrophobicContact CG1-CD2 3.8Å; I288-F382 HydrophobicContact CG1-CE1 3.78Å; I288-F382 HydrophobicContact CG1-CE2 3.92Å; I288-F382 HydrophobicContact CG1-CG 3.69Å; I288-F382 HydrophobicContact CG1-CZ 3.88Å; I288-F382 HydrophobicContact CG2-CD2 4.08Å; I288-F382 HydrophobicContact CG2-CE2 3.56Å; I288-F382 HydrophobicContact CG2-CZ 3.79Å; F292-F382 HydrophobicContact CE2-CE1 4.3Å; F292-F382 HydrophobicContact CZ-CD1 4.37Å; F292-F382 HydrophobicContact CZ-CE1 4.13Å; M320-F382 HydrophobicContact CE-CD1 3.97Å; M320-F382 HydrophobicContact CE-CE1 3.96Å; M320-F382 HydrophobicContact SD-CD1 3.98Å; M347-F382 HydrophobicContact CE-CB 3.82Å; M347-F382 HydrophobicContact CE-CD2 3.89Å; M347-F382 HydrophobicContact CE-CG 4.29Å; M347-F382 HydrophobicContact CG-CB 4.5Å; M347-F382 VanDerWaalsContact SD-CA 3.58Å; M347-F382 HydrophobicContact SD-CB 3.71Å; M347-F382 HydrophobicContact SD-CD2 3.97Å; M347-F382 HydrophobicContact SD-CG 4.37Å; F378-F382 PolarHBondContact O-N 2.73Å; V379-F382 PolarHBondContact O-N 3.31Å; V380-F382 PolarHBondContact O-N 2.71Å; F382-V384 VanDerWaalsContact C-N 3.26Å; F382-V384 PolarHBondContact O-N 2.88Å; F382-G385 CarbonylContact O-C 3.59Å; F382-G385 PolarHBondContact O-N 2.75Å; F382-P386 HydrophobicContact CD2-CB 3.84Å; F382-P386 HydrophobicContact CE2-CB 4.02Å; F382-P386 WeakPolarHBondContact O-CD 3.46Å; F382-G387 PolarHBondContact O-N 3.35Å
383A91.6Very high91.6Very high5 Ų520 Ų204%0.04111%0.109CC..Hα-helixtrans-68-22.4-176.700000113.9M320 M323 S327 V379 V380M320-A383 HydrophobicContact CE-CB 4.38Å; M320-A383 HydrophobicContact SD-CB 3.96Å; M323-A383 HydrophobicContact CB-CB 3.48Å; M323-A383 VanDerWaalsContact CB-CB 3.48Å; S327-A383 VanDerWaalsContact CB-O 3.24Å; S327-A383 WeakPolarHBondContact CB-O 3.32Å; S327-A383 PolarHBondContact OG-O 2.84Å; V379-A383 PolarHBondContact O-N 3.32Å; V379-A383 VanDerWaalsContact O-N 3.1Å; V380-A383 PolarHBondContact O-N 2.69Å
384V90.3Very high91.3Very high14 Ų1415.9 Ų15.99%0.0858%0.084CC..Hα-helixtrans-73-29.4175.6166.10000113.1M323 L330 L339 V380 F382M323-V384 HydrophobicContact CE-CG2 3.53Å; L330-V384 HydrophobicContact CD2-CG1 4.12Å; L339-V384 HydrophobicContact CD2-CG1 4.04Å; V380-V384 WeakPolarHBondContact O-CG2 3.32Å; V380-V384 PolarHBondContact O-N 2.67Å; F382-V384 VanDerWaalsContact C-N 3.26Å; F382-V384 PolarHBondContact O-N 2.88Å
385G88.8Confident90.8Very high0 Ų017.4 Ų17.40%010%0.097CC..THydrogen-bonded Turntrans-144.5-74.4-175.500000114.7F382 G387 S388 I389F382-G385 CarbonylContact O-C 3.59Å; F382-G385 PolarHBondContact O-N 2.75Å; G385-G387 PolarHBondContact O-N 3.4Å; G385-S388 PolarHBondContact O-N 2.81Å; G385-I389 WeakPolarHBondContact O-CB 3.35Å; G385-I389 WeakPolarHBondContact O-CG1 3.45Å; G385-I389 PolarHBondContact O-N 3.49Å; G385-I389 VanDerWaalsContact O-N 3.08Å
386P91.9Very high90.5Very high0 Ų019.4 Ų19.40%011%0.106CC..THydrogen-bonded Turntrans-56.4-20.1-172.1-3036.3000117Q283 L344 M347 F382 P390Q283-P386 PolarHBondContact NE2-O 2.96Å; L344-P386 HydrophobicContact CD2-CG 3.88Å; L344-P386 HydrophobicContact CG-CG 4.05Å; M347-P386 HydrophobicContact SD-CB 4.42Å; M347-P386 HydrophobicContact SD-CG 4.04Å; F382-P386 HydrophobicContact CD2-CB 3.84Å; F382-P386 HydrophobicContact CE2-CB 4.02Å; F382-P386 WeakPolarHBondContact O-CD 3.46Å; P386-P390 VanDerWaalsContact O-CD 3.3Å; P386-P390 WeakPolarHBondContact O-CD 3.36Å; P386-P390 WeakPolarHBondContact O-CG 3.38Å
387G87.4Confident90.1Very high7 Ų717.7 Ų17.77%0.07210%0.097CC..THydrogen-bonded Turntrans-67.1-47.6174.600000114.9Q283 F382 G385Q283-G387 PolarHBondContact NE2-O 3.39Å; F382-G387 PolarHBondContact O-N 3.35Å; G385-G387 PolarHBondContact O-N 3.4Å
388S83.8Confident89.6Confident23 Ų2317.2 Ų17.216%0.1619%0.092CC..THydrogen-bonded Turntrans-111.6-31-170.252.80000114M331 G385 W391 M392M331-S388 VanDerWaalsContact CE-OG 3.26Å; M331-S388 WeakPolarHBondContact CE-OG 3.26Å; G385-S388 PolarHBondContact O-N 2.81Å; S388-W391 PolarHBondContact O-N 2.86Å; S388-M392 PolarHBondContact O-N 2.93Å
389I89Confident88.9Confident0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-66.7-38-172.1-60.9-178.1000113.8M279 M331 R336 L339 H340 G385 W391 M392 I393M279-I389 HydrophobicContact CE-CG2 4.04Å; M331-I389 HydrophobicContact CE-CG1 4.09Å; R336-I389 HydrophobicContact CB-CG2 4.06Å; R336-I389 WeakPolarHBondContact O-CD1 3.28Å; L339-I389 HydrophobicContact CB-CD1 3.59Å; H340-I389 HydrophobicContact CB-CD1 4.46Å; H340-I389 HydrophobicContact CB-CG2 4.29Å; G385-I389 WeakPolarHBondContact O-CB 3.35Å; G385-I389 WeakPolarHBondContact O-CG1 3.45Å; G385-I389 PolarHBondContact O-N 3.49Å; G385-I389 VanDerWaalsContact O-N 3.08Å; I389-W391 VanDerWaalsContact C-N 3.3Å; I389-W391 PolarHBondContact O-N 3.19Å; I389-M392 PolarHBondContact O-N 3.43Å; I389-I393 HydrophobicContact CG2-CD1 3.55Å; I389-I393 HydrophobicContact CG2-CG1 3.79Å; I389-I393 WeakPolarHBondContact O-CB 3.26Å; I389-I393 PolarHBondContact O-N 3.34Å
390P91.5Very high87.9Confident0 Ų020.8 Ų20.80%011%0.111CC..Hα-helixtrans-54.6-42.1176.1-30.738000114.3M279 Q283 P386 T394M279-P390 HydrophobicContact CB-CB 4Å; M279-P390 HydrophobicContact CE-CB 4.41Å; M279-P390 HydrophobicContact CE-CG 4.07Å; M279-P390 WeakPolarHBondContact O-CG 3.46Å; Q283-P390 HydrophobicContact CB-CG 4.22Å; P386-P390 VanDerWaalsContact O-CD 3.3Å; P386-P390 WeakPolarHBondContact O-CD 3.36Å; P386-P390 WeakPolarHBondContact O-CG 3.38Å; P390-T394 WeakPolarHBondContact O-CB 3.35Å; P390-T394 PolarHBondContact O-N 3.38Å; P390-T394 VanDerWaalsContact O-N 3.15Å; P390-T394 PolarHBondContact O-OG1 2.91Å
391W86.1Confident87.1Confident64 Ų6419 Ų1924%0.24210%0.1CC..Hα-helixtrans-66.1-44.1178.6-67.2105.5000112Q283 S388 I389 A395 M407 V411 N414Q283-W391 VanDerWaalsContact OE1-NE1 3.16Å; S388-W391 PolarHBondContact O-N 2.86Å; I389-W391 VanDerWaalsContact C-N 3.3Å; I389-W391 PolarHBondContact O-N 3.19Å; W391-A395 PolarHBondContact O-N 2.71Å; W391-M407 HydrophobicContact CE3-CE 4.22Å; W391-V411 HydrophobicContact CH2-CG2 3.93Å; W391-V411 HydrophobicContact CZ3-CG2 3.65Å; W391-N414 HydrophobicContact CH2-CB 4.1Å; W391-N414 HydrophobicContact CZ2-CB 4.08Å; W391-N414 WeakPolarHBondContact CZ2-ND2 3.38Å
392M84.6Confident86.5Confident52 Ų5216 Ų1626%0.2569%0.087SC..Hα-helixtrans-73.9-44.2-177.9-163.8178.166.900112.6M331 R336 S388 I389 T394 A395 E396M331-M392 HydrophobicContact CG-CE 4.03Å; M331-M392 HydrophobicContact SD-CE 3.29Å; M331-M392 WeakPolarHBondContact SD-CE 3.42Å; M331-M392 HydrophobicContact SD-SD 3.82Å; R336-M392 HydrophobicContact CG-CE 3.31Å; R336-M392 VanDerWaalsContact NE-CE 3.26Å; S388-M392 PolarHBondContact O-N 2.93Å; I389-M392 PolarHBondContact O-N 3.43Å; M392-T394 PolarHBondContact O-N 3.34Å; M392-A395 PolarHBondContact O-N 2.77Å; M392-E396 HydrophobicContact CG-CG 4.34Å; M392-E396 WeakPolarHBondContact O-CG 3.44Å; M392-E396 PolarHBondContact O-N 3.07Å
393I87.3Confident85.9Confident0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-59.6-37.4174.8-76.5-172.9000110.8M279 R336 I389 A395 E396 L397 V455M279-I393 HydrophobicContact CE-CD1 3.91Å; M279-I393 HydrophobicContact CG-CG2 4.33Å; R336-I393 HydrophobicContact CB-CD1 3.94Å; R336-I393 HydrophobicContact CB-CG1 4.08Å; I389-I393 HydrophobicContact CG2-CD1 3.55Å; I389-I393 HydrophobicContact CG2-CG1 3.79Å; I389-I393 WeakPolarHBondContact O-CB 3.26Å; I389-I393 PolarHBondContact O-N 3.34Å; I393-A395 VanDerWaalsContact C-N 3.28Å; I393-A395 PolarHBondContact O-N 2.84Å; I393-E396 PolarHBondContact O-N 3.37Å; I393-L397 HydrophobicContact CG2-CD1 3.5Å; I393-L397 VanDerWaalsContact CG2-CD1 3.5Å; I393-L397 HydrophobicContact CG2-CG 3.9Å; I393-L397 VanDerWaalsContact O-CB 3.31Å; I393-L397 WeakPolarHBondContact O-CB 3.2Å; I393-L397 WeakPolarHBondContact O-CG 3.4Å; I393-L397 PolarHBondContact O-N 3.15Å; I393-V455 HydrophobicContact CD1-CG1 3.99Å
394T87.4Confident85.5Confident2 Ų221.5 Ų21.51%0.01212%0.115CC..Hα-helixtrans-62.1-35.4176-54.70000112P390 M392 F398 M407 A410P390-T394 WeakPolarHBondContact O-CB 3.35Å; P390-T394 PolarHBondContact O-N 3.38Å; P390-T394 VanDerWaalsContact O-N 3.15Å; P390-T394 PolarHBondContact O-OG1 2.91Å; M392-T394 PolarHBondContact O-N 3.34Å; T394-F398 WeakPolarHBondContact O-CD2 3.42Å; T394-M407 HydrophobicContact CG2-SD 3.52Å; T394-M407 VanDerWaalsContact CG2-SD 3.52Å; T394-A410 HydrophobicContact CG2-CB 3.65Å
395A84.3Confident85.2Confident33 Ų3321.3 Ų21.327%0.27311%0.114SC..Hα-helixtrans-76.3-39.7174.800000113W391 M392 I393 L397 R403 M407W391-A395 PolarHBondContact O-N 2.71Å; M392-A395 PolarHBondContact O-N 2.77Å; I393-A395 VanDerWaalsContact C-N 3.28Å; I393-A395 PolarHBondContact O-N 2.84Å; A395-L397 VanDerWaalsContact C-N 3.33Å; A395-L397 PolarHBondContact O-N 3.04Å; A395-R403 PolarHBondContact O-NE 3.44Å; A395-R403 PolarHBondContact O-NH2 2.92Å; A395-M407 HydrophobicContact CB-SD 4.32Å
396E86.9Confident85.2Confident44 Ų4421.3 Ų21.321%0.20611%0.114CC..Hα-helixtrans-67.3-27.8179.2-69.9173.7157.200112.8R336 M392 I393 F398 T458R336-E396 IonicContact CZ-OE1 3.17Å; R336-E396 IonicContact NE-OE1 2.69Å; R336-E396 PolarHBondContact NE-OE1 3.36Å; R336-E396 IonicContact NE-OE2 2.72Å; R336-E396 IonicContact NH2-OE1 3.69Å; R336-E396 PolarHBondContact NH2-OE1 3.31Å; M392-E396 HydrophobicContact CG-CG 4.34Å; M392-E396 WeakPolarHBondContact O-CG 3.44Å; M392-E396 PolarHBondContact O-N 3.07Å; I393-E396 PolarHBondContact O-N 3.37Å; E396-F398 PolarHBondContact O-N 2.87Å; E396-T458 HydrophobicContact CB-CG2 4.18Å; E396-T458 WeakPolarHBondContact OE2-CB 3.19Å; E396-T458 PolarHBondContact OE2-OG1 2.72Å
397L86.9Confident85Confident1 Ų123.8 Ų23.81%0.00513%0.126CC..THydrogen-bonded Turntrans-77.9-8-176.8-80.1173.4000116.2P272 I275 I393 A395 P456 F463 I466 F470P272-L397 HydrophobicContact CB-CB 4.07Å; P272-L397 HydrophobicContact CB-CD1 4.43Å; P272-L397 HydrophobicContact CB-CD2 4.22Å; P272-L397 HydrophobicContact CB-CG 4.49Å; I275-L397 HydrophobicContact CB-CD1 4.03Å; I275-L397 HydrophobicContact CG2-CD1 3.61Å; I393-L397 HydrophobicContact CG2-CD1 3.5Å; I393-L397 VanDerWaalsContact CG2-CD1 3.5Å; I393-L397 HydrophobicContact CG2-CG 3.9Å; I393-L397 VanDerWaalsContact O-CB 3.31Å; I393-L397 WeakPolarHBondContact O-CB 3.2Å; I393-L397 WeakPolarHBondContact O-CG 3.4Å; I393-L397 PolarHBondContact O-N 3.15Å; A395-L397 VanDerWaalsContact C-N 3.33Å; A395-L397 PolarHBondContact O-N 3.04Å; L397-P456 HydrophobicContact CD2-CG 4.05Å; L397-F463 WeakPolarHBondContact O-CE2 3.47Å; L397-I466 HydrophobicContact CD2-CG2 3.91Å; L397-F470 HydrophobicContact CD2-CE2 3.93Å; L397-F470 HydrophobicContact CD2-CZ 3.97Å
398F84.8Confident84.9Confident1 Ų125 Ų250%0.00414%0.135CC..SBendtrans-132.6145.8-172.9-71.1-83.6000112.9L263 L269 P272 L273 T394 E396 P402 R403 A406L263-F398 HydrophobicContact CD1-CD1 4.48Å; L263-F398 HydrophobicContact CD1-CE1 3.85Å; L269-F398 HydrophobicContact CB-CE1 4.44Å; P272-F398 HydrophobicContact CB-CE1 4.29Å; P272-F398 HydrophobicContact CB-CE2 4.22Å; P272-F398 HydrophobicContact CB-CZ 3.93Å; P272-F398 HydrophobicContact CG-CE1 4.08Å; P272-F398 HydrophobicContact CG-CZ 4.14Å; L273-F398 HydrophobicContact CB-CZ 4.01Å; L273-F398 HydrophobicContact CD1-CZ 4.4Å; T394-F398 WeakPolarHBondContact O-CD2 3.42Å; E396-F398 PolarHBondContact O-N 2.87Å; F398-P402 HydrophobicContact CB-CG 4.41Å; F398-P402 HydrophobicContact CD1-CB 4Å; F398-P402 HydrophobicContact CD1-CG 4.02Å; F398-R403 HydrophobicContact CB-CB 3.85Å; F398-R403 HydrophobicContact CB-CG 4.47Å; F398-R403 VanDerWaalsContact O-CZ 3.27Å; F398-R403 PolarHBondContact O-NE 3.37Å; F398-R403 VanDerWaalsContact O-NE 3.12Å; F398-R403 PolarHBondContact O-NH2 3.5Å; F398-A406 HydrophobicContact CD1-CB 4.13Å; F398-A406 HydrophobicContact CD2-CB 3.55Å; F398-A406 HydrophobicContact CE1-CB 4.06Å; F398-A406 HydrophobicContact CE2-CB 3.47Å; F398-A406 VanDerWaalsContact CE2-CB 3.47Å; F398-A406 HydrophobicContact CG-CB 3.87Å; F398-A406 HydrophobicContact CZ-CB 3.71Å
399S81Confident85.2Confident17 Ų1724.7 Ų24.712%0.11913%0.132CC..  trans-76.2176.3169.966.50000112.1E255 G401 P402 R403E255-S399 WeakPolarHBondContact OE1-CB 3.49Å; E255-S399 WeakPolarHBondContact OE2-CB 3.26Å; E255-S399 PolarHBondContact OE2-OG 3.29Å; S399-G401 VanDerWaalsContact C-N 3.35Å; S399-G401 PolarHBondContact O-N 3.22Å; S399-P402 WeakPolarHBondContact O-CD 3.26Å; S399-P402 VanDerWaalsContact OG-CD 3.28Å; S399-P402 WeakPolarHBondContact OG-CD 3.28Å; S399-R403 WeakPolarHBondContact O-CB 3.4Å; S399-R403 PolarHBondContact O-N 2.84Å; S399-R403 VanDerWaalsContact O-N 3.11Å
400Q75.9Confident85.3Confident58 Ų5824.8 Ų24.827%0.27113%0.133SC..THydrogen-bonded Turntrans-67-32.5-165.8-62.9-71.717.700113.5Q252 E255 R403 P404Q252-Q400 HydrophobicContact CB-CB 4.39Å; Q252-Q400 HydrophobicContact CG-CB 4.22Å; E255-Q400 PolarHBondContact OE1-N 2.91Å; E255-Q400 PolarHBondContact OE2-N 3.03Å; Q400-R403 VanDerWaalsContact CD-NH1 3.29Å; Q400-P404 WeakPolarHBondContact O-CD 3.46Å
401G78.6Confident85.1Confident3 Ų325.3 Ų25.33%0.03114%0.136CC..THydrogen-bonded Turntrans-65.5-59.2177.700000114E255 S399 P404E255-G401 PolarHBondContact OE2-N 3.44Å; S399-G401 VanDerWaalsContact C-N 3.35Å; S399-G401 PolarHBondContact O-N 3.22Å; G401-P404 WeakPolarHBondContact O-CD 3.3Å
402P82.7Confident85.2Confident1 Ų124.9 Ų24.91%0.00614%0.138CC..THydrogen-bonded Turntrans-79.6-19.4-178.228.1-34.3000115.2I258 L263 L269 F398 S399 S405 A406I258-P402 HydrophobicContact CB-CB 4.37Å; I258-P402 HydrophobicContact CD1-CB 4.25Å; I258-P402 HydrophobicContact CD1-CG 4.43Å; L263-P402 HydrophobicContact CD1-CB 3.89Å; L269-P402 HydrophobicContact CD1-CB 4.16Å; L269-P402 HydrophobicContact CD1-CG 4.44Å; F398-P402 HydrophobicContact CB-CG 4.41Å; F398-P402 HydrophobicContact CD1-CB 4Å; F398-P402 HydrophobicContact CD1-CG 4.02Å; S399-P402 WeakPolarHBondContact O-CD 3.26Å; S399-P402 VanDerWaalsContact OG-CD 3.28Å; S399-P402 WeakPolarHBondContact OG-CD 3.28Å; P402-S405 PolarHBondContact O-N 2.92Å; P402-A406 PolarHBondContact O-N 3.22Å
403R83.8Confident85.6Confident69 Ų6923.6 Ų23.626%0.2613%0.133SC..Hα-helixtrans-55.2-43.7-174.8179.1-173.2-64.2155.4-3.5114.2A395 F398 S399 Q400 S405 A406 M407A395-R403 PolarHBondContact O-NE 3.44Å; A395-R403 PolarHBondContact O-NH2 2.92Å; F398-R403 HydrophobicContact CB-CB 3.85Å; F398-R403 HydrophobicContact CB-CG 4.47Å; F398-R403 VanDerWaalsContact O-CZ 3.27Å; F398-R403 PolarHBondContact O-NE 3.37Å; F398-R403 VanDerWaalsContact O-NE 3.12Å; F398-R403 PolarHBondContact O-NH2 3.5Å; S399-R403 WeakPolarHBondContact O-CB 3.4Å; S399-R403 PolarHBondContact O-N 2.84Å; S399-R403 VanDerWaalsContact O-N 3.11Å; Q400-R403 VanDerWaalsContact CD-NH1 3.29Å; R403-S405 PolarHBondContact O-N 3.38Å; R403-A406 PolarHBondContact O-N 3.46Å; R403-M407 HydrophobicContact CG-CG 4.21Å; R403-M407 WeakPolarHBondContact O-CB 3.29Å; R403-M407 VanDerWaalsContact O-CG 3.26Å; R403-M407 WeakPolarHBondContact O-CG 3.47Å; R403-M407 PolarHBondContact O-N 2.71Å
404P82.8Confident85.9Confident63 Ų6323.9 Ų23.941%0.40914%0.135SC..Hα-helixtrans-60.4-46.2177.2-23.935.1000112.6Q400 G401 A406 M407 A408Q400-P404 WeakPolarHBondContact O-CD 3.46Å; G401-P404 WeakPolarHBondContact O-CD 3.3Å; P404-A406 PolarHBondContact O-N 3.11Å; P404-M407 PolarHBondContact O-N 3.47Å; P404-A408 PolarHBondContact O-N 3.31Å
405S85Confident86.1Confident9 Ų924 Ų246%0.06314%0.135CC..Hα-helixtrans-62.1-40.8176.5-61.90000111.8I258 P402 R403 A408 I409I258-S405 PolarHBondContact O-OG 3.23Å; P402-S405 PolarHBondContact O-N 2.92Å; R403-S405 PolarHBondContact O-N 3.38Å; S405-A408 PolarHBondContact O-N 2.85Å; S405-I409 WeakPolarHBondContact O-CG1 3.49Å; S405-I409 PolarHBondContact O-N 3Å
406A88.1Confident86.5Confident1 Ų127 Ų271%0.00814%0.144CC..Hα-helixtrans-67.2-43.8177.100000112.6L263 F398 P402 R403 P404 A408 I409 A410L263-A406 HydrophobicContact CD2-CB 3.9Å; L263-A406 VanDerWaalsContact CD2-N 3.33Å; F398-A406 HydrophobicContact CD1-CB 4.13Å; F398-A406 HydrophobicContact CD2-CB 3.55Å; F398-A406 HydrophobicContact CE1-CB 4.06Å; F398-A406 HydrophobicContact CE2-CB 3.47Å; F398-A406 VanDerWaalsContact CE2-CB 3.47Å; F398-A406 HydrophobicContact CG-CB 3.87Å; F398-A406 HydrophobicContact CZ-CB 3.71Å; P402-A406 PolarHBondContact O-N 3.22Å; R403-A406 PolarHBondContact O-N 3.46Å; P404-A406 PolarHBondContact O-N 3.11Å; A406-A408 VanDerWaalsContact C-N 3.34Å; A406-A408 PolarHBondContact O-N 3.48Å; A406-I409 PolarHBondContact O-N 3.37Å; A406-A410 WeakPolarHBondContact O-CB 3.29Å; A406-A410 PolarHBondContact O-N 3.44Å
407M86.8Confident86.8Confident51 Ų5125 Ų2525%0.25114%0.136SC..Hα-helixtrans-63.4-38.7176.4-70.7-65.9-64.500111.5W391 T394 A395 R403 P404 A410 V411W391-M407 HydrophobicContact CE3-CE 4.22Å; T394-M407 HydrophobicContact CG2-SD 3.52Å; T394-M407 VanDerWaalsContact CG2-SD 3.52Å; A395-M407 HydrophobicContact CB-SD 4.32Å; R403-M407 HydrophobicContact CG-CG 4.21Å; R403-M407 WeakPolarHBondContact O-CB 3.29Å; R403-M407 VanDerWaalsContact O-CG 3.26Å; R403-M407 WeakPolarHBondContact O-CG 3.47Å; R403-M407 PolarHBondContact O-N 2.71Å; P404-M407 PolarHBondContact O-N 3.47Å; M407-A410 PolarHBondContact O-N 3.5Å; M407-V411 VanDerWaalsContact O-CG2 3.29Å; M407-V411 WeakPolarHBondContact O-CG2 3.27Å; M407-V411 PolarHBondContact O-N 3.02Å
408A86.4Confident87.1Confident32 Ų3225.3 Ų25.326%0.26414%0.137SC..Hα-helixtrans-62.7-41.9175.700000112.6P404 S405 A406 L412P404-A408 PolarHBondContact O-N 3.31Å; S405-A408 PolarHBondContact O-N 2.85Å; A406-A408 VanDerWaalsContact C-N 3.34Å; A406-A408 PolarHBondContact O-N 3.48Å; A408-L412 WeakPolarHBondContact O-CB 3.03Å; A408-L412 PolarHBondContact O-N 3.12Å
409I89.5Confident87.5Confident18 Ų1827.8 Ų27.89%0.09215%0.148CC..Hα-helixtrans-63.6-43173.3-64.3166.7000110.6T260 L263 I264 L273 I277 S405 A406 L412 V413T260-I409 HydrophobicContact CG2-CD1 3.75Å; T260-I409 HydrophobicContact CG2-CG1 3.77Å; L263-I409 HydrophobicContact CD2-CD1 4Å; I264-I409 HydrophobicContact CD1-CD1 4.07Å; I264-I409 HydrophobicContact CG1-CD1 3.94Å; L273-I409 HydrophobicContact CD1-CB 4.35Å; L273-I409 HydrophobicContact CD1-CD1 3.84Å; L273-I409 HydrophobicContact CD1-CG2 4.21Å; L273-I409 HydrophobicContact CD2-CD1 4.18Å; I277-I409 HydrophobicContact CD1-CG2 4.01Å; I277-I409 HydrophobicContact CG1-CG2 4.04Å; S405-I409 WeakPolarHBondContact O-CG1 3.49Å; S405-I409 PolarHBondContact O-N 3Å; A406-I409 PolarHBondContact O-N 3.37Å; I409-L412 PolarHBondContact O-N 3.05Å; I409-V413 HydrophobicContact CG2-CG2 4.34Å; I409-V413 WeakPolarHBondContact O-CB 3.28Å; I409-V413 WeakPolarHBondContact O-CG2 3.41Å; I409-V413 PolarHBondContact O-N 3.01Å
410A90.6Very high88.1Confident2 Ų230.2 Ų30.22%0.01716%0.162CC..Hα-helixtrans-63.1-42.1179.100000112.8Q280 T394 A406 M407 V413 N414Q280-A410 HydrophobicContact CG-CB 3.86Å; T394-A410 HydrophobicContact CG2-CB 3.65Å; A406-A410 WeakPolarHBondContact O-CB 3.29Å; A406-A410 PolarHBondContact O-N 3.44Å; M407-A410 PolarHBondContact O-N 3.5Å; A410-V413 PolarHBondContact O-N 2.76Å; A410-N414 VanDerWaalsContact O-CB 3.25Å; A410-N414 WeakPolarHBondContact O-CB 3.36Å; A410-N414 PolarHBondContact O-N 2.83Å
411V87.3Confident88.9Confident10 Ų1027.8 Ų27.86%0.06115%0.151CC..Hα-helixtrans-60.2-48.6172.6169.90000110.9W391 M407 V413 N414 W415W391-V411 HydrophobicContact CH2-CG2 3.93Å; W391-V411 HydrophobicContact CZ3-CG2 3.65Å; M407-V411 VanDerWaalsContact O-CG2 3.29Å; M407-V411 WeakPolarHBondContact O-CG2 3.27Å; M407-V411 PolarHBondContact O-N 3.02Å; V411-V413 PolarHBondContact O-N 3.48Å; V411-N414 PolarHBondContact O-N 3.4Å; V411-W415 VanDerWaalsContact O-CD1 3.24Å; V411-W415 PolarHBondContact O-N 3.28Å
412L89.6Confident89.3Confident55 Ų5527.7 Ų27.729%0.28815%0.15SC..Hα-helixtrans-58.3-47.5178.3173.859.7000112M78 A408 I409 M416M78-L412 HydrophobicContact CG-CD1 3.52Å; M78-L412 HydrophobicContact SD-CD1 3.62Å; A408-L412 WeakPolarHBondContact O-CB 3.03Å; A408-L412 PolarHBondContact O-N 3.12Å; I409-L412 PolarHBondContact O-N 3.05Å; L412-M416 HydrophobicContact CD1-CE 4.39Å; L412-M416 VanDerWaalsContact O-CB 3.23Å; L412-M416 WeakPolarHBondContact O-CB 3.37Å; L412-M416 PolarHBondContact O-N 3.43Å
413V92.6Very high89.6Confident25 Ų2530.8 Ų30.815%0.15217%0.166CC..Hα-helixtrans-64-40.9177.4167.70000111.7I277 Q280 L281 I409 A410 V411 M416 A417I277-V413 HydrophobicContact CG1-CG2 4.32Å; I277-V413 HydrophobicContact CG2-CG1 4.19Å; I277-V413 HydrophobicContact CG2-CG2 4.35Å; Q280-V413 HydrophobicContact CB-CG1 4.16Å; L281-V413 HydrophobicContact CD2-CG1 3.55Å; L281-V413 HydrophobicContact CG-CG1 3.83Å; I409-V413 HydrophobicContact CG2-CG2 4.34Å; I409-V413 WeakPolarHBondContact O-CB 3.28Å; I409-V413 WeakPolarHBondContact O-CG2 3.41Å; I409-V413 PolarHBondContact O-N 3.01Å; A410-V413 PolarHBondContact O-N 2.76Å; V411-V413 PolarHBondContact O-N 3.48Å; V413-M416 PolarHBondContact O-N 3.49Å; V413-A417 WeakPolarHBondContact O-CB 3.33Å; V413-A417 PolarHBondContact O-N 3.2Å
414N92.3Very high89.9Confident7 Ų729 Ų294%0.03717%0.17CC..Hα-helixtrans-62.2-50.4178.3-175.4-72.9000111.5Q280 Q283 Q284 W391 A410 V411 M416 A417 N418Q280-N414 HydrophobicContact CB-CB 4.32Å; Q280-N414 PolarHBondContact OE1-ND2 3.13Å; Q283-N414 PolarHBondContact OE1-ND2 3.42Å; Q284-N414 VanDerWaalsContact NE2-CG 3.34Å; Q284-N414 PolarHBondContact NE2-ND2 3.42Å; Q284-N414 PolarHBondContact NE2-OD1 2.57Å; W391-N414 HydrophobicContact CH2-CB 4.1Å; W391-N414 HydrophobicContact CZ2-CB 4.08Å; W391-N414 WeakPolarHBondContact CZ2-ND2 3.38Å; A410-N414 VanDerWaalsContact O-CB 3.25Å; A410-N414 WeakPolarHBondContact O-CB 3.36Å; A410-N414 PolarHBondContact O-N 2.83Å; V411-N414 PolarHBondContact O-N 3.4Å; N414-M416 PolarHBondContact O-N 2.92Å; N414-A417 PolarHBondContact O-N 3.3Å; N414-N418 WeakPolarHBondContact O-CB 3.13Å; N414-N418 PolarHBondContact O-N 3.01Å
415W91.5Very high90.2Very high3 Ų326.1 Ų26.11%0.01115%0.151CC..Hα-helixtrans-67.1-34.2177.7-73.8110.8000113.1F27 F73 A74 G77 M78 T138 V411 N418 F419F27-W415 HydrophobicContact CD2-CH2 4.17Å; F27-W415 AromaticContact CE2-CH2 3.56Å; F27-W415 HydrophobicContact CE2-CH2 3.56Å; F27-W415 HydrophobicContact CE2-CZ2 4.18Å; F27-W415 HydrophobicContact CE2-CZ3 4.39Å; F27-W415 HydrophobicContact CZ-CH2 4.18Å; F27-W415 HydrophobicContact CZ-CZ2 4.45Å; F73-W415 HydrophobicContact CD1-CZ3 4.44Å; F73-W415 HydrophobicContact CE1-CH2 4.33Å; F73-W415 HydrophobicContact CE1-CZ3 4.14Å; A74-W415 HydrophobicContact CB-CE3 4.18Å; G77-W415 PolarHBondContact O-NE1 3.49Å; M78-W415 HydrophobicContact CB-CB 3.84Å; M78-W415 HydrophobicContact CG-CB 4.26Å; T138-W415 HydrophobicContact CG2-CZ2 4.09Å; V411-W415 VanDerWaalsContact O-CD1 3.24Å; V411-W415 PolarHBondContact O-N 3.28Å; W415-N418 PolarHBondContact O-N 3.14Å; W415-F419 PolarHBondContact O-N 2.89Å
416M93.1Very high90.3Very high96 Ų9626.4 Ų26.447%0.47315%0.152SC..Hα-helixtrans-66.1-45.7175.1-175.4-177.1-68.400112.2M78 L412 V413 N414 N418 F419 V420M78-M416 HydrophobicContact CE-CB 3.9Å; M78-M416 HydrophobicContact CE-CG 4.42Å; L412-M416 HydrophobicContact CD1-CE 4.39Å; L412-M416 VanDerWaalsContact O-CB 3.23Å; L412-M416 WeakPolarHBondContact O-CB 3.37Å; L412-M416 PolarHBondContact O-N 3.43Å; V413-M416 PolarHBondContact O-N 3.49Å; N414-M416 PolarHBondContact O-N 2.92Å; M416-N418 VanDerWaalsContact C-N 3.33Å; M416-F419 PolarHBondContact O-N 3.41Å; M416-V420 WeakPolarHBondContact O-CG2 3.36Å; M416-V420 PolarHBondContact O-N 3.43Å; M416-V420 VanDerWaalsContact O-N 3.09Å
417A94.2Very high90.3Very high4 Ų429.8 Ų29.83%0.03318%0.175CC..Hα-helixtrans-67.8-34.7176.300000111.9L281 Q284 F285 V413 N414 V420 V421L281-A417 HydrophobicContact CD2-CB 3.88Å; Q284-A417 HydrophobicContact CB-CB 3.71Å; Q284-A417 HydrophobicContact CG-CB 4.09Å; F285-A417 HydrophobicContact CD2-CB 4.25Å; F285-A417 HydrophobicContact CE2-CB 3.86Å; F285-A417 HydrophobicContact CZ-CB 4.1Å; V413-A417 WeakPolarHBondContact O-CB 3.33Å; V413-A417 PolarHBondContact O-N 3.2Å; N414-A417 PolarHBondContact O-N 3.3Å; A417-V420 PolarHBondContact O-N 3.38Å; A417-V421 WeakPolarHBondContact O-CG2 3.28Å; A417-V421 PolarHBondContact O-N 3.1Å; A417-V421 VanDerWaalsContact O-N 3.07Å
418N92.6Very high90.5Very high6 Ų629.2 Ų29.23%0.03217%0.173CC..Hα-helixtrans-58.4-51.5170.4-174.53.8000111.3A74 Q284 N289 Y293 N414 W415 M416 V420 V421 G422A74-N418 HydrophobicContact CB-CB 4.35Å; Q284-N418 HydrophobicContact CG-CB 4.45Å; N289-N418 PolarHBondContact ND2-OD1 3.04Å; Y293-N418 WeakPolarHBondContact CE2-OD1 3.48Å; Y293-N418 PolarHBondContact OH-ND2 2.92Å; Y293-N418 VanDerWaalsContact OH-ND2 3.13Å; Y293-N418 PolarHBondContact OH-OD1 3.39Å; N414-N418 WeakPolarHBondContact O-CB 3.13Å; N414-N418 PolarHBondContact O-N 3.01Å; W415-N418 PolarHBondContact O-N 3.14Å; M416-N418 VanDerWaalsContact C-N 3.33Å; N418-V420 VanDerWaalsContact C-N 3.33Å; N418-V420 PolarHBondContact O-N 3.12Å; N418-V421 PolarHBondContact O-N 2.97Å; N418-V421 VanDerWaalsContact O-N 3.15Å; N418-G422 PolarHBondContact O-N 2.93Å
419F93.1Very high90.5Very high54 Ų5429.7 Ų29.724%0.23717%0.169CC..Hα-helixtrans-54.3-46176.8171.5-103.5000112.6A74 I75 W415 M416 V421 G422 I423A74-F419 HydrophobicContact CB-CB 3.88Å; I75-F419 HydrophobicContact CD1-CD2 4.05Å; I75-F419 HydrophobicContact CD1-CE2 3.63Å; I75-F419 HydrophobicContact CD1-CZ 4.23Å; I75-F419 HydrophobicContact CG1-CD2 3.6Å; I75-F419 HydrophobicContact CG1-CE2 3.74Å; I75-F419 HydrophobicContact CG1-CG 4.32Å; W415-F419 PolarHBondContact O-N 2.89Å; M416-F419 PolarHBondContact O-N 3.41Å; F419-V421 PolarHBondContact O-N 2.84Å; F419-G422 PolarHBondContact O-N 3.11Å; F419-I423 HydrophobicContact CE1-CG2 4.3Å; F419-I423 HydrophobicContact CE2-CB 4.49Å; F419-I423 HydrophobicContact CE2-CD1 4.22Å; F419-I423 HydrophobicContact CZ-CD1 3.91Å; F419-I423 HydrophobicContact CZ-CG2 4.22Å; F419-I423 WeakPolarHBondContact O-CG2 3.26Å; F419-I423 PolarHBondContact O-N 3.38Å
420V94Very high90.4Very high68 Ų6832.9 Ų32.941%0.41219%0.189SC..Hα-helixtrans-62.9-40.1178.81750000112F285 M416 A417 N418 G424F285-V420 HydrophobicContact CE1-CB 4.18Å; F285-V420 HydrophobicContact CE1-CG1 3.82Å; F285-V420 HydrophobicContact CZ-CB 4.14Å; F285-V420 HydrophobicContact CZ-CG1 3.95Å; M416-V420 WeakPolarHBondContact O-CG2 3.36Å; M416-V420 PolarHBondContact O-N 3.43Å; M416-V420 VanDerWaalsContact O-N 3.09Å; A417-V420 PolarHBondContact O-N 3.38Å; N418-V420 VanDerWaalsContact C-N 3.33Å; N418-V420 PolarHBondContact O-N 3.12Å; V420-G424 PolarHBondContact O-N 2.8Å
421V92.4Very high90.3Very high7 Ų736.7 Ų36.74%0.04222%0.221CC..Hα-helixtrans-68.8-43.2175.51740000111.3F285 N289 A417 N418 F419 I423 F425 F440F285-V421 HydrophobicContact CD1-CG2 3.56Å; F285-V421 HydrophobicContact CE1-CG2 3.77Å; N289-V421 HydrophobicContact CB-CG1 4.1Å; A417-V421 WeakPolarHBondContact O-CG2 3.28Å; A417-V421 PolarHBondContact O-N 3.1Å; A417-V421 VanDerWaalsContact O-N 3.07Å; N418-V421 PolarHBondContact O-N 2.97Å; N418-V421 VanDerWaalsContact O-N 3.15Å; F419-V421 PolarHBondContact O-N 2.84Å; V421-I423 PolarHBondContact O-N 3.23Å; V421-F425 WeakPolarHBondContact O-CB 3.38Å; V421-F425 PolarHBondContact O-N 3.33Å; V421-F440 HydrophobicContact CG1-CZ 4.34Å
422G87.3Confident90.5Very high0 Ų039.2 Ų39.20%023%0.234CC..Hα-helixtrans-58.6-47.6178.300000112.7Y294 N418 F419Y294-G422 PolarHBondContact OH-O 2.89Å; N418-G422 PolarHBondContact O-N 2.93Å; F419-G422 PolarHBondContact O-N 3.11Å
423I89.1Confident90.5Very high66 Ų6643.2 Ų43.234%0.33825%0.251SS..Hα-helixtrans-83.1-33.5-175.1-158.7170.6000112.7S71 F419 V421S71-I423 VanDerWaalsContact OG-CA 3.28Å; S71-I423 WeakPolarHBondContact OG-CA 3.27Å; S71-I423 WeakPolarHBondContact OG-CB 3.33Å; S71-I423 PolarHBondContact OG-N 2.91Å; F419-I423 HydrophobicContact CE1-CG2 4.3Å; F419-I423 HydrophobicContact CE2-CB 4.49Å; F419-I423 HydrophobicContact CE2-CD1 4.22Å; F419-I423 HydrophobicContact CZ-CD1 3.91Å; F419-I423 HydrophobicContact CZ-CG2 4.22Å; F419-I423 WeakPolarHBondContact O-CG2 3.26Å; F419-I423 PolarHBondContact O-N 3.38Å; V421-I423 PolarHBondContact O-N 3.23Å
424G89.2Confident90.3Very high33 Ų3343.4 Ų43.434%0.3425%0.251SS..Hα-helixtrans-82.7-24-176.800000114.2V420 M428V420-G424 PolarHBondContact O-N 2.8Å; G424-M428 VanDerWaalsContact O-CB 3.29Å; G424-M428 WeakPolarHBondContact O-CB 3.47Å; G424-M428 PolarHBondContact O-N 2.91Å
425F89.8Confident90.3Very high2 Ų249 Ų491%0.00927%0.272CS..Hα-helixtrans-65-46-172.4174.8-95.1000114.1A290 Y294 L298 V421 S427 M428 K429 T436 F440A290-F425 HydrophobicContact CB-CB 4.4Å; A290-F425 HydrophobicContact CB-CD1 4.09Å; A290-F425 HydrophobicContact CB-CD2 3.32Å; A290-F425 HydrophobicContact CB-CE1 4.2Å; A290-F425 HydrophobicContact CB-CE2 3.45Å; A290-F425 VanDerWaalsContact CB-CE2 3.45Å; A290-F425 HydrophobicContact CB-CG 3.65Å; A290-F425 HydrophobicContact CB-CZ 3.89Å; Y294-F425 AromaticContact CD2-CD1 3.24Å; Y294-F425 HydrophobicContact CD2-CD1 3.24Å; Y294-F425 AromaticContact CD2-CE1 3.63Å; Y294-F425 HydrophobicContact CD2-CE1 3.63Å; Y294-F425 HydrophobicContact CD2-CG 4.18Å; Y294-F425 HydrophobicContact CE2-CB 4.27Å; Y294-F425 AromaticContact CE2-CD1 3.59Å; Y294-F425 HydrophobicContact CE2-CD1 3.59Å; Y294-F425 HydrophobicContact CE2-CE1 4.41Å; Y294-F425 HydrophobicContact CE2-CG 4.3Å; Y294-F425 AromaticContact CG-CD1 3.85Å; Y294-F425 HydrophobicContact CG-CD1 3.85Å; Y294-F425 AromaticContact CG-CE1 3.85Å; Y294-F425 HydrophobicContact CG-CE1 3.85Å; L298-F425 HydrophobicContact CD1-CZ 4.17Å; L298-F425 HydrophobicContact CD2-CZ 4Å; L298-F425 HydrophobicContact CG-CZ 4.26Å; V421-F425 WeakPolarHBondContact O-CB 3.38Å; V421-F425 PolarHBondContact O-N 3.33Å; F425-S427 PolarHBondContact O-N 3.04Å; F425-M428 HydrophobicContact CD2-CE 3.74Å; F425-M428 HydrophobicContact CE2-CE 4.27Å; F425-M428 CarbonylContact O-C 3.54Å; F425-M428 WeakPolarHBondContact O-CB 3.32Å; F425-M428 PolarHBondContact O-N 3.35Å; F425-M428 VanDerWaalsContact O-N 3.16Å; F425-K429 HydrophobicContact CE1-CB 4.44Å; F425-K429 HydrophobicContact CE1-CD 4.43Å; F425-K429 HydrophobicContact CZ-CB 4.48Å; F425-K429 WeakPolarHBondContact O-CB 3.35Å; F425-K429 PolarHBondContact O-N 3.4Å; F425-T436 HydrophobicContact CD2-CG2 4.28Å; F425-T436 HydrophobicContact CE2-CG2 3.41Å; F425-T436 VanDerWaalsContact CE2-CG2 3.41Å; F425-T436 HydrophobicContact CZ-CG2 3.9Å; F425-F440 AromaticContact CD2-CE2 3.92Å; F425-F440 HydrophobicContact CD2-CE2 3.92Å; F425-F440 HydrophobicContact CD2-CZ 4.07Å; F425-F440 HydrophobicContact CE2-CE2 4.1Å
426P86.8Confident90.2Very high15 Ų1549 Ų4910%0.09727%0.272CS..Hα-helixtrans-64.2-41.8179.8-2941.7000112.9S67 Y294 M428 K429 T430S67-P426 VanDerWaalsContact OG-CG 3.3Å; S67-P426 WeakPolarHBondContact OG-CG 3.16Å; Y294-P426 HydrophobicContact CE1-CG 3.74Å; Y294-P426 HydrophobicContact CE2-CG 4.15Å; Y294-P426 WeakPolarHBondContact OH-CG 3.37Å; P426-M428 VanDerWaalsContact C-N 3.3Å; P426-M428 PolarHBondContact O-N 3.4Å; P426-K429 WeakPolarHBondContact O-CB 3.19Å; P426-K429 PolarHBondContact O-N 3.34Å; P426-K429 VanDerWaalsContact O-N 3.13Å; P426-T430 PolarHBondContact O-N 2.86Å; P426-T430 PolarHBondContact O-OG1 3.08Å
427S88.4Confident90.2Very high71 Ų7144.4 Ų44.450%0.49725%0.25SC..Hα-helixtrans-61.7-37.9172.6-52.80000112.3F425 A431F425-S427 PolarHBondContact O-N 3.04Å; S427-A431 VanDerWaalsContact O-CB 3.24Å; S427-A431 WeakPolarHBondContact O-CB 3.47Å; S427-A431 PolarHBondContact O-N 3.41Å
428M89.9Confident90.2Very high40 Ų4047.9 Ų47.920%0.19727%0.268CS..Hα-helixtrans-68-36.2173.8-173.2178.87100112.3G424 F425 P426 A431 L432 T436 P439 F440G424-M428 VanDerWaalsContact O-CB 3.29Å; G424-M428 WeakPolarHBondContact O-CB 3.47Å; G424-M428 PolarHBondContact O-N 2.91Å; F425-M428 HydrophobicContact CD2-CE 3.74Å; F425-M428 HydrophobicContact CE2-CE 4.27Å; F425-M428 CarbonylContact O-C 3.54Å; F425-M428 WeakPolarHBondContact O-CB 3.32Å; F425-M428 PolarHBondContact O-N 3.35Å; F425-M428 VanDerWaalsContact O-N 3.16Å; P426-M428 VanDerWaalsContact C-N 3.3Å; P426-M428 PolarHBondContact O-N 3.4Å; M428-A431 PolarHBondContact O-N 3.14Å; M428-L432 HydrophobicContact CG-CD1 3.61Å; M428-L432 HydrophobicContact CG-CG 4.16Å; M428-L432 WeakPolarHBondContact O-CB 3.09Å; M428-L432 PolarHBondContact O-N 3Å; M428-L432 HydrophobicContact SD-CD1 4.28Å; M428-T436 HydrophobicContact CE-CG2 4.27Å; M428-T436 WeakPolarHBondContact CE-O 3.31Å; M428-P439 HydrophobicContact SD-CB 4.03Å; M428-P439 HydrophobicContact SD-CG 3.77Å; M428-F440 HydrophobicContact CE-CD2 4.28Å; M428-F440 HydrophobicContact CE-CE1 4.37Å; M428-F440 HydrophobicContact CE-CE2 3.55Å; M428-F440 HydrophobicContact CE-CZ 3.6Å
429K87.6Confident90.3Very high42 Ų4249.4 Ų49.418%0.18328%0.278CS..Hα-helixtrans-61-46.6175.4-171.6-168.4-179.6-166.80110.7S297 S301 F425 P426 E433 T436S297-K429 PolarHBondContact O-NZ 3.31Å; S297-K429 PolarHBondContact OG-NZ 3.35Å; S301-K429 VanDerWaalsContact OG-CE 3.28Å; S301-K429 WeakPolarHBondContact OG-CE 3.19Å; S301-K429 PolarHBondContact OG-NZ 2.89Å; F425-K429 HydrophobicContact CE1-CB 4.44Å; F425-K429 HydrophobicContact CE1-CD 4.43Å; F425-K429 HydrophobicContact CZ-CB 4.48Å; F425-K429 WeakPolarHBondContact O-CB 3.35Å; F425-K429 PolarHBondContact O-N 3.4Å; P426-K429 WeakPolarHBondContact O-CB 3.19Å; P426-K429 PolarHBondContact O-N 3.34Å; P426-K429 VanDerWaalsContact O-N 3.13Å; K429-E433 WeakPolarHBondContact O-CA 3.41Å; K429-E433 PolarHBondContact O-N 2.82Å; K429-T436 WeakPolarHBondContact CA-OG1 3.13Å; K429-T436 HydrophobicContact CB-CG2 4.31Å
430T86.3Confident90.4Very high84 Ų8447.2 Ų47.252%0.51527%0.268SS..Hα-helixtrans-72.2-35.1179-55.20000112.4P426P426-T430 PolarHBondContact O-N 2.86Å; P426-T430 PolarHBondContact O-OG1 3.08Å
431A90.3Very high90.5Very high82 Ų8244.1 Ų44.168%0.67825%0.249SC*.Hα-helixtrans-83.6-22-178.200000115.2S427 M428S427-A431 VanDerWaalsContact O-CB 3.24Å; S427-A431 WeakPolarHBondContact O-CB 3.47Å; S427-A431 PolarHBondContact O-N 3.41Å; M428-A431 PolarHBondContact O-N 3.14Å
432L90.5Very high90.7Very high64 Ų6447.7 Ų47.734%0.33527%0.271SS..Hα-helixtrans-114.4-12-179.3-60.9-175.8000114.1M428 N434 Y435 P439M428-L432 HydrophobicContact CG-CD1 3.61Å; M428-L432 HydrophobicContact CG-CG 4.16Å; M428-L432 WeakPolarHBondContact O-CB 3.09Å; M428-L432 PolarHBondContact O-N 3Å; M428-L432 HydrophobicContact SD-CD1 4.28Å; L432-N434 PolarHBondContact O-N 2.74Å; L432-N434 VanDerWaalsContact O-N 3.12Å; L432-Y435 WeakPolarHBondContact O-CB 3.12Å; L432-Y435 PolarHBondContact O-N 3.12Å; L432-P439 HydrophobicContact CD1-CG 3.5Å; L432-P439 VanDerWaalsContact CD1-CG 3.5Å
433E88.6Confident91.2Very high139 Ų13951.6 Ų51.665%0.6529%0.288SS*.G310 helixtrans47.5-114.9178.9-58.3178.7176.700112.3K429 Y435 T436K429-E433 WeakPolarHBondContact O-CA 3.41Å; K429-E433 PolarHBondContact O-N 2.82Å; E433-Y435 PolarHBondContact O-N 3.49Å; E433-T436 WeakPolarHBondContact O-CB 3.31Å; E433-T436 PolarHBondContact O-N 3.07Å; E433-T436 PolarHBondContact O-OG1 3.45Å
434N89.3Confident91.6Very high29 Ų2948.4 Ų48.416%0.15527%0.272CS..G310 helixtrans-66.2-16.5-179-62-37.9000113.4F358 L359 K361 L432F358-N434 HydrophobicContact CB-CB 3.82Å; F358-N434 VanDerWaalsContact O-CG 3.31Å; F358-N434 PolarHBondContact O-OD1 3.45Å; L359-N434 HydrophobicContact CD2-CB 3.72Å; L359-N434 HydrophobicContact CG-CB 4.18Å; K361-N434 PolarHBondContact NZ-OD1 3.27Å; L432-N434 PolarHBondContact O-N 2.74Å; L432-N434 VanDerWaalsContact O-N 3.12Å
435Y91.9Very high92Very high124 Ų12448.4 Ų48.449%0.48627%0.269SS..G310 helixtrans-91.46.4177.5-57.9-80.3000114.5T355 L359 L432 E433 F437 L438T355-Y435 HydrophobicContact CG2-CD1 4.37Å; L359-Y435 HydrophobicContact CD1-CD1 4.41Å; L359-Y435 HydrophobicContact CD1-CE1 3.87Å; L359-Y435 HydrophobicContact CD2-CD1 4.41Å; L359-Y435 HydrophobicContact CD2-CE1 3.79Å; L359-Y435 HydrophobicContact CD2-CE2 4.01Å; L359-Y435 HydrophobicContact CG-CE1 4.41Å; L432-Y435 WeakPolarHBondContact O-CB 3.12Å; L432-Y435 PolarHBondContact O-N 3.12Å; E433-Y435 PolarHBondContact O-N 3.49Å; Y435-F437 PolarHBondContact O-N 2.89Å; Y435-L438 VanDerWaalsContact O-CB 3.25Å; Y435-L438 WeakPolarHBondContact O-CB 3.38Å; Y435-L438 PolarHBondContact O-N 3.02Å
436T90.4Very high92.4Very high2 Ų252.8 Ų52.81%0.01229%0.291CS..THydrogen-bonded Turntrans-49.7-32.3-174.4-66.30000115.4F425 M428 K429 E433F425-T436 HydrophobicContact CD2-CG2 4.28Å; F425-T436 HydrophobicContact CE2-CG2 3.41Å; F425-T436 VanDerWaalsContact CE2-CG2 3.41Å; F425-T436 HydrophobicContact CZ-CG2 3.9Å; M428-T436 HydrophobicContact CE-CG2 4.27Å; M428-T436 WeakPolarHBondContact CE-O 3.31Å; K429-T436 WeakPolarHBondContact CA-OG1 3.13Å; K429-T436 HydrophobicContact CB-CG2 4.31Å; E433-T436 WeakPolarHBondContact O-CB 3.31Å; E433-T436 PolarHBondContact O-N 3.07Å; E433-T436 PolarHBondContact O-OG1 3.45Å
437F92Very high92.9Very high0 Ų052.7 Ų52.70%029%0.289CS..THydrogen-bonded Turntrans-88.6-6.2179.5-86.1-97.5000114.7V291 L298 I354 F358 F378 Y435 F440 S441V291-F437 HydrophobicContact CG2-CE1 4.2Å; V291-F437 HydrophobicContact CG2-CZ 4.02Å; L298-F437 HydrophobicContact CD1-CE2 3.8Å; L298-F437 HydrophobicContact CD1-CZ 3.82Å; L298-F437 HydrophobicContact CD2-CE2 3.98Å; I354-F437 HydrophobicContact CB-CG 4.39Å; I354-F437 HydrophobicContact CD1-CD1 4.09Å; I354-F437 HydrophobicContact CD1-CE1 3.95Å; I354-F437 HydrophobicContact CD1-CZ 4.31Å; I354-F437 HydrophobicContact CG2-CB 4.44Å; I354-F437 HydrophobicContact CG2-CD1 4.47Å; I354-F437 HydrophobicContact CG2-CD2 3.57Å; I354-F437 HydrophobicContact CG2-CE2 3.87Å; I354-F437 HydrophobicContact CG2-CG 3.91Å; I354-F437 HydrophobicContact CG2-CZ 4.44Å; F358-F437 HydrophobicContact CE2-CD2 4.08Å; F358-F437 HydrophobicContact CE2-CE2 4.32Å; F378-F437 HydrophobicContact CZ-CE1 4.42Å; Y435-F437 PolarHBondContact O-N 2.89Å; F437-F440 HydrophobicContact CD1-CD2 4.08Å; F437-F440 HydrophobicContact CE1-CD2 4.39Å; F437-F440 PolarHBondContact O-N 2.86Å; F437-S441 PolarHBondContact O-N 3.47Å; F437-S441 PolarHBondContact O-OG 3.27Å
438L93.8Very high93.4Very high78 Ų7853.8 Ų53.841%0.40828%0.283SS..Hα-helixtrans-65.2-40.5-178.8-17065.1000113.2I352 Y435 F440 S441 V442I352-L438 HydrophobicContact CD1-CD1 4.34Å; Y435-L438 VanDerWaalsContact O-CB 3.25Å; Y435-L438 WeakPolarHBondContact O-CB 3.38Å; Y435-L438 PolarHBondContact O-N 3.02Å; L438-F440 PolarHBondContact O-N 3.43Å; L438-S441 VanDerWaalsContact O-CB 3.31Å; L438-S441 WeakPolarHBondContact O-CB 3.41Å; L438-S441 PolarHBondContact O-N 2.95Å; L438-S441 VanDerWaalsContact O-N 3.14Å; L438-V442 PolarHBondContact O-N 3.15Å
439P95.1Very high93.8Very high37 Ų3755.9 Ų55.924%0.2429%0.294CS..Hα-helixtrans-61.4-40.9174.4-25.437.1000113M428 L432 S441 V442 F443M428-P439 HydrophobicContact SD-CB 4.03Å; M428-P439 HydrophobicContact SD-CG 3.77Å; L432-P439 HydrophobicContact CD1-CG 3.5Å; L432-P439 VanDerWaalsContact CD1-CG 3.5Å; P439-S441 VanDerWaalsContact C-N 3.31Å; P439-S441 PolarHBondContact O-N 3.25Å; P439-V442 PolarHBondContact O-N 2.94Å; P439-F443 VanDerWaalsContact O-CD2 3.23Å; P439-F443 WeakPolarHBondContact O-CD2 3.3Å; P439-F443 PolarHBondContact O-N 3.42Å
440F95.3Very high94.2Very high9 Ų956 Ų564%0.03930%0.295CS..Hα-helixtrans-63.2-38.4173.9-62.8-49.1000111.6G287 A290 V421 F425 M428 F437 L438 V442 F443 L444G287-F440 VanDerWaalsContact CA-CD1 3.46Å; A290-F440 HydrophobicContact CB-CE2 4.01Å; A290-F440 HydrophobicContact CB-CZ 4.14Å; V421-F440 HydrophobicContact CG1-CZ 4.34Å; F425-F440 AromaticContact CD2-CE2 3.92Å; F425-F440 HydrophobicContact CD2-CE2 3.92Å; F425-F440 HydrophobicContact CD2-CZ 4.07Å; F425-F440 HydrophobicContact CE2-CE2 4.1Å; M428-F440 HydrophobicContact CE-CD2 4.28Å; M428-F440 HydrophobicContact CE-CE1 4.37Å; M428-F440 HydrophobicContact CE-CE2 3.55Å; M428-F440 HydrophobicContact CE-CZ 3.6Å; F437-F440 HydrophobicContact CD1-CD2 4.08Å; F437-F440 HydrophobicContact CE1-CD2 4.39Å; F437-F440 PolarHBondContact O-N 2.86Å; L438-F440 PolarHBondContact O-N 3.43Å; F440-V442 VanDerWaalsContact C-N 3.32Å; F440-V442 PolarHBondContact O-N 3.31Å; F440-F443 PolarHBondContact O-N 2.87Å; F440-L444 WeakPolarHBondContact O-CB 3.5Å; F440-L444 WeakPolarHBondContact O-CD1 3.38Å; F440-L444 WeakPolarHBondContact O-CG 3.2Å; F440-L444 PolarHBondContact O-N 3.29Å
441S96.4Very high94.7Very high2 Ų252.1 Ų52.11%0.01427%0.27CS..Hα-helixtrans-59.2-41.7173.4-50.90000111.8F348 S351 F437 L438 P439 A445F348-S441 WeakPolarHBondContact CD2-O 3.42Å; F348-S441 WeakPolarHBondContact CE2-O 3.16Å; S351-S441 WeakPolarHBondContact CB-OG 3Å; S351-S441 PolarHBondContact OG-OG 3.14Å; F437-S441 PolarHBondContact O-N 3.47Å; F437-S441 PolarHBondContact O-OG 3.27Å; L438-S441 VanDerWaalsContact O-CB 3.31Å; L438-S441 WeakPolarHBondContact O-CB 3.41Å; L438-S441 PolarHBondContact O-N 2.95Å; L438-S441 VanDerWaalsContact O-N 3.14Å; P439-S441 VanDerWaalsContact C-N 3.31Å; P439-S441 PolarHBondContact O-N 3.25Å; S441-A445 PolarHBondContact O-N 3.16Å
442V97.1Very high95Very high83 Ų8354.3 Ų54.350%0.50326%0.262SS..Hα-helixtrans-64.9-45.2175.31750000111.5L438 P439 F440 A445 I446L438-V442 PolarHBondContact O-N 3.15Å; P439-V442 PolarHBondContact O-N 2.94Å; F440-V442 VanDerWaalsContact C-N 3.32Å; F440-V442 PolarHBondContact O-N 3.31Å; V442-A445 PolarHBondContact O-N 3.35Å; V442-I446 HydrophobicContact CG1-CD1 3.93Å; V442-I446 WeakPolarHBondContact O-CG1 3.26Å; V442-I446 PolarHBondContact O-N 2.8Å
443F97.3Very high95.1Very high81 Ų8158.6 Ų58.636%0.35528%0.278SS..Hα-helixtrans-61-46.6175.6-80.8-62.7000112.4F285 P439 F440 A445 I446 F447F285-F443 HydrophobicContact CB-CB 4.46Å; F285-F443 HydrophobicContact CB-CD1 4.43Å; F285-F443 HydrophobicContact CB-CD2 4.48Å; F285-F443 HydrophobicContact CB-CG 4.22Å; F285-F443 WeakPolarHBondContact O-CB 3.43Å; P439-F443 VanDerWaalsContact O-CD2 3.23Å; P439-F443 WeakPolarHBondContact O-CD2 3.3Å; P439-F443 PolarHBondContact O-N 3.42Å; F440-F443 PolarHBondContact O-N 2.87Å; F443-A445 VanDerWaalsContact C-N 3.32Å; F443-A445 PolarHBondContact O-N 2.94Å; F443-I446 PolarHBondContact O-N 2.58Å; F443-I446 VanDerWaalsContact O-N 3.14Å; F443-F447 HydrophobicContact CB-CD2 4.22Å; F443-F447 HydrophobicContact CB-CE2 3.82Å; F443-F447 HydrophobicContact CD1-CE2 4.14Å; F443-F447 HydrophobicContact CD1-CZ 4.24Å; F443-F447 HydrophobicContact CG-CE2 4.35Å; F443-F447 WeakPolarHBondContact O-CD2 3.28Å; F443-F447 WeakPolarHBondContact O-CG 3.27Å; F443-F447 PolarHBondContact O-N 3.28Å
444L97.9Very high95.3Very high0 Ų058.6 Ų58.60%028%0.276CS..Hα-helixtrans-57-43.4176.9-73.8164.8000111.7L344 M347 F348 F378 F440 F447 W448L344-L444 HydrophobicContact CD2-CD2 3.66Å; M347-L444 HydrophobicContact CB-CD1 3.91Å; M347-L444 HydrophobicContact CB-CD2 3.89Å; M347-L444 HydrophobicContact SD-CD2 4.37Å; F348-L444 HydrophobicContact CB-CB 4.15Å; F348-L444 HydrophobicContact CD2-CB 4.45Å; F378-L444 HydrophobicContact CE2-CD1 4.18Å; F440-L444 WeakPolarHBondContact O-CB 3.5Å; F440-L444 WeakPolarHBondContact O-CD1 3.38Å; F440-L444 WeakPolarHBondContact O-CG 3.2Å; F440-L444 PolarHBondContact O-N 3.29Å; L444-F447 PolarHBondContact O-N 2.88Å; L444-W448 VanDerWaalsContact O-CB 3.29Å; L444-W448 WeakPolarHBondContact O-CB 3.43Å; L444-W448 PolarHBondContact O-N 2.79Å
445A97.8Very high95.4Very high33 Ų3357.4 Ų57.427%0.27327%0.27SS..Hα-helixtrans-63.1-43.417500000112.6F348 S441 V442 F443 W448 I449F348-A445 HydrophobicContact CD2-CB 4.19Å; F348-A445 HydrophobicContact CE2-CB 4.04Å; S441-A445 PolarHBondContact O-N 3.16Å; V442-A445 PolarHBondContact O-N 3.35Å; F443-A445 VanDerWaalsContact C-N 3.32Å; F443-A445 PolarHBondContact O-N 2.94Å; A445-W448 PolarHBondContact O-N 3.3Å; A445-I449 VanDerWaalsContact O-CG1 3.28Å; A445-I449 WeakPolarHBondContact O-CG1 3.47Å; A445-I449 PolarHBondContact O-N 2.85Å
446I98.1Very high95.4Very high93 Ų9352.5 Ų52.548%0.47725%0.253SS..Hα-helixtrans-61.4-47.6176.2-68.7165.3000110.8V442 F443 W448 I449 F450V442-I446 HydrophobicContact CG1-CD1 3.93Å; V442-I446 WeakPolarHBondContact O-CG1 3.26Å; V442-I446 PolarHBondContact O-N 2.8Å; F443-I446 PolarHBondContact O-N 2.58Å; F443-I446 VanDerWaalsContact O-N 3.14Å; I446-W448 PolarHBondContact O-N 3.03Å; I446-I449 PolarHBondContact O-N 2.92Å; I446-F450 WeakPolarHBondContact O-CB 3.48Å; I446-F450 PolarHBondContact O-N 2.85Å
447F98Very high95.3Very high14 Ų1454.1 Ų54.16%0.06126%0.26CS..Hα-helixtrans-67.6-34178.8-63.8-51.3000112.6V278 L281 S282 F285 L344 F443 L444 F450 T451V278-F447 HydrophobicContact CG1-CD1 3.8Å; V278-F447 HydrophobicContact CG1-CE1 4.07Å; L281-F447 HydrophobicContact CB-CE1 3.92Å; L281-F447 HydrophobicContact CB-CZ 3.88Å; S282-F447 VanDerWaalsContact CB-CG 3.42Å; F285-F447 HydrophobicContact CB-CE2 3.78Å; F285-F447 HydrophobicContact CB-CZ 4.1Å; L344-F447 HydrophobicContact CD1-CB 3.92Å; L344-F447 HydrophobicContact CD2-CB 4.38Å; F443-F447 HydrophobicContact CB-CD2 4.22Å; F443-F447 HydrophobicContact CB-CE2 3.82Å; F443-F447 HydrophobicContact CD1-CE2 4.14Å; F443-F447 HydrophobicContact CD1-CZ 4.24Å; F443-F447 HydrophobicContact CG-CE2 4.35Å; F443-F447 WeakPolarHBondContact O-CD2 3.28Å; F443-F447 WeakPolarHBondContact O-CG 3.27Å; F443-F447 PolarHBondContact O-N 3.28Å; L444-F447 PolarHBondContact O-N 2.88Å; F447-F450 PolarHBondContact O-N 3.04Å; F447-T451 VanDerWaalsContact O-CB 3.3Å; F447-T451 WeakPolarHBondContact O-CB 3.16Å; F447-T451 PolarHBondContact O-N 3.44Å; F447-T451 PolarHBondContact O-OG1 2.78Å
448W98.1Very high95Very high94 Ų9454.3 Ų54.336%0.35626%0.261SS..Hα-helixtrans-63.6-48.3173.7-168.697.8000110.8L341 L344 L444 A445 I446 F450 T451 Y452L341-W448 HydrophobicContact CD2-CD2 3.94Å; L341-W448 HydrophobicContact CD2-CG 4.04Å; L341-W448 HydrophobicContact CD2-CZ2 4.22Å; L341-W448 WeakPolarHBondContact CD2-O 3.23Å; L341-W448 VanDerWaalsContact O-CD1 3.23Å; L341-W448 PolarHBondContact O-NE1 3.13Å; L344-W448 HydrophobicContact CB-CB 4.34Å; L444-W448 VanDerWaalsContact O-CB 3.29Å; L444-W448 WeakPolarHBondContact O-CB 3.43Å; L444-W448 PolarHBondContact O-N 2.79Å; A445-W448 PolarHBondContact O-N 3.3Å; I446-W448 PolarHBondContact O-N 3.03Å; W448-F450 VanDerWaalsContact C-N 3.34Å; W448-F450 PolarHBondContact O-N 3.21Å; W448-T451 PolarHBondContact O-N 2.89Å; W448-Y452 HydrophobicContact CH2-CD2 4.1Å; W448-Y452 HydrophobicContact CH2-CG 4.27Å; W448-Y452 HydrophobicContact CZ3-CD2 4.45Å; W448-Y452 HydrophobicContact CZ3-CG 4.15Å; W448-Y452 WeakPolarHBondContact O-CB 3.37Å; W448-Y452 PolarHBondContact O-N 3.29Å
449I97.8Very high94.3Very high84 Ų8453.3 Ų53.343%0.43125%0.254SS..Hα-helixtrans-62.1-40.6177.2-67.2165.3000111.2A445 I446 K453A445-I449 VanDerWaalsContact O-CG1 3.28Å; A445-I449 WeakPolarHBondContact O-CG1 3.47Å; A445-I449 PolarHBondContact O-N 2.85Å; I446-I449 PolarHBondContact O-N 2.92Å; I449-K453 HydrophobicContact CG2-CD 4.06Å; I449-K453 WeakPolarHBondContact O-CB 3.33Å; I449-K453 WeakPolarHBondContact O-CG 3.23Å; I449-K453 PolarHBondContact O-N 2.93Å
450F97.3Very high93.4Very high45 Ų4558.4 Ų58.420%0.19728%0.279CS..Hα-helixtrans-63.2-48.9174.4-178.8-86.3000111.5I274 I275 V278 I446 F447 W448 Y452 K453 K454 V455I274-F450 HydrophobicContact CG2-CE2 4.46Å; I274-F450 HydrophobicContact CG2-CZ 4.29Å; I275-F450 HydrophobicContact CG1-CE1 4.08Å; I275-F450 HydrophobicContact CG1-CZ 3.95Å; V278-F450 HydrophobicContact CB-CD1 4.11Å; V278-F450 HydrophobicContact CB-CE1 3.72Å; V278-F450 HydrophobicContact CB-CE2 4.44Å; V278-F450 HydrophobicContact CB-CZ 3.9Å; V278-F450 HydrophobicContact CG1-CB 4.42Å; V278-F450 HydrophobicContact CG1-CD1 3.42Å; V278-F450 VanDerWaalsContact CG1-CD1 3.42Å; V278-F450 HydrophobicContact CG1-CD2 4.2Å; V278-F450 HydrophobicContact CG1-CE1 3.59Å; V278-F450 HydrophobicContact CG1-CE2 4.33Å; V278-F450 HydrophobicContact CG1-CG 3.76Å; V278-F450 HydrophobicContact CG1-CZ 4.04Å; V278-F450 HydrophobicContact CG2-CE1 4.32Å; V278-F450 HydrophobicContact CG2-CE2 4.18Å; V278-F450 HydrophobicContact CG2-CZ 4Å; I446-F450 WeakPolarHBondContact O-CB 3.48Å; I446-F450 PolarHBondContact O-N 2.85Å; F447-F450 PolarHBondContact O-N 3.04Å; W448-F450 VanDerWaalsContact C-N 3.34Å; W448-F450 PolarHBondContact O-N 3.21Å; F450-Y452 VanDerWaalsContact C-N 3.28Å; F450-Y452 PolarHBondContact O-N 3.06Å; F450-K453 PolarHBondContact O-N 3.48Å; F450-K453 VanDerWaalsContact O-N 3.16Å; F450-K454 HydrophobicContact CD1-CB 4.33Å; F450-K454 HydrophobicContact CD2-CB 4.29Å; F450-K454 HydrophobicContact CD2-CG 4.16Å; F450-K454 HydrophobicContact CE1-CB 4.04Å; F450-K454 HydrophobicContact CE2-CB 4Å; F450-K454 HydrophobicContact CE2-CG 3.98Å; F450-K454 HydrophobicContact CG-CB 4.45Å; F450-K454 HydrophobicContact CZ-CB 3.87Å; F450-K454 HydrophobicContact CZ-CG 4.35Å; F450-K454 WeakPolarHBondContact O-CB 3.28Å; F450-K454 PolarHBondContact O-N 3.48Å; F450-V455 HydrophobicContact CD1-CG2 4.25Å; F450-V455 HydrophobicContact CE1-CG2 4.11Å
451T95.9Very high92.6Very high1 Ų162 Ų621%0.00630%0.295CS..Hα-helixtrans-59.3-41.8179-56.30000110.9R337 H340 L341 F447 W448 V455R337-T451 HydrophobicContact CG-CG2 4.44Å; H340-T451 HydrophobicContact CB-CG2 4.33Å; L341-T451 HydrophobicContact CD2-CG2 3.78Å; L341-T451 HydrophobicContact CG-CG2 3.73Å; F447-T451 VanDerWaalsContact O-CB 3.3Å; F447-T451 WeakPolarHBondContact O-CB 3.16Å; F447-T451 PolarHBondContact O-N 3.44Å; F447-T451 PolarHBondContact O-OG1 2.78Å; W448-T451 PolarHBondContact O-N 2.89Å; T451-V455 HydrophobicContact CG2-CB 4.07Å; T451-V455 HydrophobicContact CG2-CG1 4.48Å; T451-V455 HydrophobicContact CG2-CG2 4.08Å; T451-V455 PolarHBondContact O-N 3.12Å
452Y95.8Very high91.8Very high128 Ų12865.3 Ų65.350%0.50232%0.315SS..Hα-helixtrans-64.7-41.6177.5-174.3-100.6000111.9R337 L341 W448 F450R337-Y452 PolarHBondContact NH2-O 3.48Å; L341-Y452 HydrophobicContact CD1-CD2 4.23Å; W448-Y452 HydrophobicContact CH2-CD2 4.1Å; W448-Y452 HydrophobicContact CH2-CG 4.27Å; W448-Y452 HydrophobicContact CZ3-CD2 4.45Å; W448-Y452 HydrophobicContact CZ3-CG 4.15Å; W448-Y452 WeakPolarHBondContact O-CB 3.37Å; W448-Y452 PolarHBondContact O-N 3.29Å; F450-Y452 VanDerWaalsContact C-N 3.28Å; F450-Y452 PolarHBondContact O-N 3.06Å
453K93.9Very high90.5Very high155 Ų15563.8 Ų63.867%0.67430%0.302SS*.Hα-helixtrans-91.5-21.6-173.8-68.6-176.8178.9-179.80115.9I449 F450I449-K453 HydrophobicContact CG2-CD 4.06Å; I449-K453 WeakPolarHBondContact O-CB 3.33Å; I449-K453 WeakPolarHBondContact O-CG 3.23Å; I449-K453 PolarHBondContact O-N 2.93Å; F450-K453 PolarHBondContact O-N 3.48Å; F450-K453 VanDerWaalsContact O-N 3.16Å
454K92Very high89.3Confident139 Ų13967.2 Ų67.260%0.60432%0.319SS*.Hα-helixtrans-130.1-28.5-167.6-65.9-64-174.5179.20115.7I275 F450 P456I275-K454 VanDerWaalsContact CD1-O 3.29Å; I275-K454 WeakPolarHBondContact CD1-O 3.38Å; F450-K454 HydrophobicContact CD1-CB 4.33Å; F450-K454 HydrophobicContact CD2-CB 4.29Å; F450-K454 HydrophobicContact CD2-CG 4.16Å; F450-K454 HydrophobicContact CE1-CB 4.04Å; F450-K454 HydrophobicContact CE2-CB 4Å; F450-K454 HydrophobicContact CE2-CG 3.98Å; F450-K454 HydrophobicContact CG-CB 4.45Å; F450-K454 HydrophobicContact CZ-CB 3.87Å; F450-K454 HydrophobicContact CZ-CG 4.35Å; F450-K454 WeakPolarHBondContact O-CB 3.28Å; F450-K454 PolarHBondContact O-N 3.48Å; K454-P456 WeakPolarHBondContact O-CD 3.48Å
455V92.5Very high88.4Confident4 Ų471.9 Ų71.92%0.02434%0.34CS..PPolyproline II helixtrans-78.7122.8-179.5176.70000109.3I275 M279 R337 I393 F450 T451I275-V455 HydrophobicContact CG2-CG2 3.9Å; M279-V455 HydrophobicContact SD-CG1 4.48Å; M279-V455 HydrophobicContact SD-CG2 3.89Å; R337-V455 HydrophobicContact CB-CG1 4.37Å; R337-V455 WeakPolarHBondContact CD-O 3.43Å; R337-V455 HydrophobicContact CG-CB 4.46Å; R337-V455 HydrophobicContact CG-CG1 4.24Å; R337-V455 PolarHBondContact NE-O 3.43Å; I393-V455 HydrophobicContact CD1-CG1 3.99Å; F450-V455 HydrophobicContact CD1-CG2 4.25Å; F450-V455 HydrophobicContact CE1-CG2 4.11Å; T451-V455 HydrophobicContact CG2-CB 4.07Å; T451-V455 HydrophobicContact CG2-CG1 4.48Å; T451-V455 HydrophobicContact CG2-CG2 4.08Å; T451-V455 PolarHBondContact O-N 3.12Å
456P90.1Very high87.4Confident20 Ų2070.5 Ų70.513%0.1333%0.328CS..PPolyproline II helixtrans-73.8156171.632.4-34.9000110.6L397 K454 L469 F470L397-P456 HydrophobicContact CD2-CG 4.05Å; K454-P456 WeakPolarHBondContact O-CD 3.48Å; P456-L469 HydrophobicContact CB-CD1 4.26Å; P456-F470 HydrophobicContact CG-CE2 4.38Å; P456-F470 HydrophobicContact CG-CZ 3.96Å
457E89.4Confident86.2Confident36 Ų3667 Ų6717%0.16831%0.311CS..PPolyproline II helixtrans-78.3124.1163-179.754.1-109.900108.9R336 R337 K459 K461R336-E457 VanDerWaalsContact N-CD 3.31Å; R336-E457 PolarHBondContact N-OE1 2.89Å; R336-E457 PolarHBondContact N-OE2 2.7Å; R337-E457 HydrophobicContact CB-CB 4.27Å; R337-E457 VanDerWaalsContact CB-OE2 3.31Å; R337-E457 WeakPolarHBondContact CB-OE2 3.49Å; R337-E457 PolarHBondContact N-OE2 3.21Å; E457-K459 HydrophobicContact CG-CB 4.22Å; E457-K459 WeakPolarHBondContact OE1-CB 3.47Å; E457-K459 PolarHBondContact OE1-N 2.98Å; E457-K461 WeakPolarHBondContact O-CD 3.37Å; E457-K461 WeakPolarHBondContact O-CE 3.35Å; E457-K461 PolarHBondContact O-NZ 3.1Å
458T84.8Confident85.1Confident4 Ų468.7 Ų68.73%0.02533%0.327CS..  trans-98-18.1-175.950.90000113.2E396 N460 K461 I466E396-T458 HydrophobicContact CB-CG2 4.18Å; E396-T458 WeakPolarHBondContact OE2-CB 3.19Å; E396-T458 PolarHBondContact OE2-OG1 2.72Å; T458-N460 PolarHBondContact O-N 2.59Å; T458-K461 PolarHBondContact O-N 2.69Å; T458-I466 HydrophobicContact CG2-CD1 4.01Å
459K80.5Confident84.1Confident57 Ų5767.4 Ų67.425%0.24833%0.327CS..THydrogen-bonded Turntrans-50.7128.7-179.9-178.9-173178.7-172.80111.4D332 R333 E457 K461D332-K459 WeakPolarHBondContact O-CE 3.26Å; D332-K459 PolarHBondContact O-NZ 3.07Å; R333-K459 PolarHBondContact O-NZ 3.39Å; E457-K459 HydrophobicContact CG-CB 4.22Å; E457-K459 WeakPolarHBondContact OE1-CB 3.47Å; E457-K459 PolarHBondContact OE1-N 2.98Å; K459-K461 VanDerWaalsContact C-N 3.28Å; K459-K461 PolarHBondContact O-N 3.35Å
460N76.4Confident83.1Confident144 Ų14464.6 Ų64.677%0.7731%0.312SS*.THydrogen-bonded Turntrans55.635.7174.9-59.813.1000114.1T458T458-N460 PolarHBondContact O-N 2.59Å
461K78.4Confident81.7Confident85 Ų8570.3 Ų70.337%0.3733%0.332SS..  trans-122.8152.6175.4-68179.4-169.6163.60112.8E457 T458 K459 E465 I466 L469E457-K461 WeakPolarHBondContact O-CD 3.37Å; E457-K461 WeakPolarHBondContact O-CE 3.35Å; E457-K461 PolarHBondContact O-NZ 3.1Å; T458-K461 PolarHBondContact O-N 2.69Å; K459-K461 VanDerWaalsContact C-N 3.28Å; K459-K461 PolarHBondContact O-N 3.35Å; K461-E465 WeakPolarHBondContact CA-OE2 3.29Å; K461-E465 HydrophobicContact CB-CB 4.32Å; K461-E465 WeakPolarHBondContact CB-OE2 3.4Å; K461-I466 HydrophobicContact CB-CD1 4.29Å; K461-I466 HydrophobicContact CB-CG1 4.07Å; K461-I466 HydrophobicContact CD-CG1 4.49Å; K461-L469 HydrophobicContact CD-CD1 4.45Å
462T79.1Confident80.1Confident72 Ų7276 Ų7644%0.44236%0.358SS..  trans-77.6161.716978.10000111E464 E465 I466T462-E464 PolarHBondContact O-N 3.3Å; T462-E464 PolarHBondContact OG1-N 2.75Å; T462-E465 PolarHBondContact N-OE2 3.38Å; T462-E465 PolarHBondContact O-N 2.81Å; T462-E465 WeakPolarHBondContact OG1-CG 3.39Å; T462-E465 PolarHBondContact OG1-N 3.15Å; T462-E465 VanDerWaalsContact OG1-N 3.15Å; T462-I466 WeakPolarHBondContact O-CG1 3.15Å; T462-I466 PolarHBondContact O-N 3.34Å; T462-I466 VanDerWaalsContact O-N 3.1Å
463F69.4Low78.3Confident50 Ų5074.6 Ų74.622%0.21936%0.359CS..Hα-helixtrans-58.1-36.8171.1167.3-99.4000112.1L397 I466 L467L397-F463 WeakPolarHBondContact O-CE2 3.47Å; F463-I466 PolarHBondContact O-N 2.79Å; F463-L467 HydrophobicContact CE1-CB 4.41Å; F463-L467 HydrophobicContact CE1-CD2 3.97Å; F463-L467 HydrophobicContact CZ-CB 4.29Å; F463-L467 HydrophobicContact CZ-CD1 4.35Å; F463-L467 HydrophobicContact CZ-CD2 3.99Å; F463-L467 HydrophobicContact CZ-CG 4.45Å; F463-L467 WeakPolarHBondContact O-CB 3.41Å; F463-L467 PolarHBondContact O-N 3Å
464E72.7Confident76.5Confident153 Ų15371.5 Ų71.572%0.71535%0.35SS*.Hα-helixtrans-67.8-40.8-178.3-58.9-173.5156.500111.9T462 L467 A468T462-E464 PolarHBondContact O-N 3.3Å; T462-E464 PolarHBondContact OG1-N 2.75Å; E464-L467 PolarHBondContact O-N 3.43Å; E464-A468 WeakPolarHBondContact O-CB 3.47Å; E464-A468 PolarHBondContact O-N 3.09Å
465E78.4Confident74.5Confident98 Ų9866.2 Ų66.246%0.45834%0.335SS..Hα-helixtrans-63.1-42.4172.7-68.8171.9147.500111.4K461 T462 L467 A468 L469K461-E465 WeakPolarHBondContact CA-OE2 3.29Å; K461-E465 HydrophobicContact CB-CB 4.32Å; K461-E465 WeakPolarHBondContact CB-OE2 3.4Å; T462-E465 PolarHBondContact N-OE2 3.38Å; T462-E465 PolarHBondContact O-N 2.81Å; T462-E465 WeakPolarHBondContact OG1-CG 3.39Å; T462-E465 PolarHBondContact OG1-N 3.15Å; T462-E465 VanDerWaalsContact OG1-N 3.15Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-L467 PolarHBondContact O-N 2.83Å; E465-A468 PolarHBondContact O-N 3.32Å; E465-L469 WeakPolarHBondContact O-CG 3.42Å; E465-L469 PolarHBondContact O-N 2.84Å; E465-L469 VanDerWaalsContact O-N 3.13Å
466I77.6Confident72.4Confident4 Ų473.8 Ų73.82%0.02136%0.363CS..Hα-helixtrans-61.2-43.4174.7-69.9164.6000110.5L397 T458 K461 T462 F463 L469 F470L397-I466 HydrophobicContact CD2-CG2 3.91Å; T458-I466 HydrophobicContact CG2-CD1 4.01Å; K461-I466 HydrophobicContact CB-CD1 4.29Å; K461-I466 HydrophobicContact CB-CG1 4.07Å; K461-I466 HydrophobicContact CD-CG1 4.49Å; T462-I466 WeakPolarHBondContact O-CG1 3.15Å; T462-I466 PolarHBondContact O-N 3.34Å; T462-I466 VanDerWaalsContact O-N 3.1Å; F463-I466 PolarHBondContact O-N 2.79Å; I466-L469 WeakPolarHBondContact O-CB 3.48Å; I466-L469 PolarHBondContact O-N 3.3Å; I466-F470 HydrophobicContact CG2-CD2 4.46Å; I466-F470 HydrophobicContact CG2-CE2 3.91Å; I466-F470 WeakPolarHBondContact O-CD2 3.4Å
467L72.2Confident70.4Confident20 Ų2076.2 Ų76.211%0.10538%0.381CS..Hα-helixtrans-67.5-35.8177.1-168.765.6000112.4T268 F463 E464 E465 L469 F470 R471T268-L467 HydrophobicContact CG2-CD1 4.22Å; F463-L467 HydrophobicContact CE1-CB 4.41Å; F463-L467 HydrophobicContact CE1-CD2 3.97Å; F463-L467 HydrophobicContact CZ-CB 4.29Å; F463-L467 HydrophobicContact CZ-CD1 4.35Å; F463-L467 HydrophobicContact CZ-CD2 3.99Å; F463-L467 HydrophobicContact CZ-CG 4.45Å; F463-L467 WeakPolarHBondContact O-CB 3.41Å; F463-L467 PolarHBondContact O-N 3Å; E464-L467 PolarHBondContact O-N 3.43Å; E465-L467 VanDerWaalsContact C-N 3.34Å; E465-L467 PolarHBondContact O-N 2.83Å; L467-L469 VanDerWaalsContact C-N 3.33Å; L467-L469 PolarHBondContact O-N 3.46Å; L467-F470 PolarHBondContact O-N 3.29Å; L467-R471 WeakPolarHBondContact O-CG 3.47Å; L467-R471 PolarHBondContact O-N 3.41Å
468A74.9Confident68.1Low50 Ų5081 Ų8141%0.41341%0.405SS..Hα-helixtrans-62.3-37.517500000112.1E464 E465 F470 R471 H472E464-A468 WeakPolarHBondContact O-CB 3.47Å; E464-A468 PolarHBondContact O-N 3.09Å; E465-A468 PolarHBondContact O-N 3.32Å; A468-F470 VanDerWaalsContact C-N 3.31Å; A468-F470 PolarHBondContact O-N 3.3Å; A468-R471 PolarHBondContact O-N 3.16Å; A468-H472 WeakPolarHBondContact O-CB 3.45Å; A468-H472 PolarHBondContact O-N 2.95Å
469L77.2Confident66.4Low67 Ų6785.7 Ų85.735%0.35143%0.429SS..Hα-helixtrans-61.1-37.9174-65.8169.4000112.3P456 K461 E465 I466 L467 N473P456-L469 HydrophobicContact CB-CD1 4.26Å; K461-L469 HydrophobicContact CD-CD1 4.45Å; E465-L469 WeakPolarHBondContact O-CG 3.42Å; E465-L469 PolarHBondContact O-N 2.84Å; E465-L469 VanDerWaalsContact O-N 3.13Å; I466-L469 WeakPolarHBondContact O-CB 3.48Å; I466-L469 PolarHBondContact O-N 3.3Å; L467-L469 VanDerWaalsContact C-N 3.33Å; L467-L469 PolarHBondContact O-N 3.46Å; L469-N473 WeakPolarHBondContact O-CB 3.47Å; L469-N473 PolarHBondContact O-N 3.35Å; L469-N473 VanDerWaalsContact O-N 3.16Å; L469-N473 PolarHBondContact O-ND2 3.13Å
470F75.9Confident64.7Low25 Ų2588.5 Ų88.511%0.1145%0.447CS..Hα-helixtrans-69.1-43.8174.3-69.1-66.4000112.1P271 P272 I275 L397 P456 I466 L467 A468 N473 N474P271-F470 HydrophobicContact CB-CD1 4.11Å; P271-F470 HydrophobicContact CB-CE1 4.4Å; P272-F470 HydrophobicContact CB-CE2 4.2Å; P272-F470 HydrophobicContact CB-CZ 4.34Å; I275-F470 HydrophobicContact CD1-CE1 3.5Å; I275-F470 VanDerWaalsContact CD1-CE1 3.5Å; I275-F470 HydrophobicContact CD1-CZ 3.57Å; L397-F470 HydrophobicContact CD2-CE2 3.93Å; L397-F470 HydrophobicContact CD2-CZ 3.97Å; P456-F470 HydrophobicContact CG-CE2 4.38Å; P456-F470 HydrophobicContact CG-CZ 3.96Å; I466-F470 HydrophobicContact CG2-CD2 4.46Å; I466-F470 HydrophobicContact CG2-CE2 3.91Å; I466-F470 WeakPolarHBondContact O-CD2 3.4Å; L467-F470 PolarHBondContact O-N 3.29Å; A468-F470 VanDerWaalsContact C-N 3.31Å; A468-F470 PolarHBondContact O-N 3.3Å; F470-N473 PolarHBondContact O-N 3.2Å; F470-N474 PolarHBondContact O-N 3.49Å; F470-N474 VanDerWaalsContact O-N 3.09Å
471R68.7Low63.1Low165 Ų16584.8 Ų84.862%0.62343%0.432SS*.Hα-helixtrans-59.7-46.8176.3-69175.8-179.3-179.31111.7L467 A468 N474 G475L467-R471 WeakPolarHBondContact O-CG 3.47Å; L467-R471 PolarHBondContact O-N 3.41Å; A468-R471 PolarHBondContact O-N 3.16Å; R471-N474 PolarHBondContact O-N 3.26Å; R471-G475 PolarHBondContact O-N 3.42Å
472H61.4Low61.7Low120 Ų12084.7 Ų84.756%0.55644%0.438SS*.Hα-helixtrans-64.2-41.6179.9-175.4-87.2000112.6A468 G475 R476A468-H472 WeakPolarHBondContact O-CB 3.45Å; A468-H472 PolarHBondContact O-N 2.95Å; H472-G475 PolarHBondContact O-N 2.97Å; H472-R476 PolarHBondContact O-N 3.36Å
473N59.2Low60.2Low98 Ų9886.1 Ų86.152%0.52444%0.443SS..Hα-helixtrans-65.8-38.6176.7-80.5-31.4000112.8L469 F470 R476 S477L469-N473 WeakPolarHBondContact O-CB 3.47Å; L469-N473 PolarHBondContact O-N 3.35Å; L469-N473 VanDerWaalsContact O-N 3.16Å; L469-N473 PolarHBondContact O-ND2 3.13Å; F470-N473 PolarHBondContact O-N 3.2Å; N473-R476 PolarHBondContact O-N 3.26Å; N473-S477 PolarHBondContact O-N 3.1Å; N473-S477 VanDerWaalsContact O-N 3.1Å
474N55.6Low59.1Low91 Ų9188 Ų8849%0.48746%0.463SS..Hα-helixtrans-67.1-40.7173.7-74.4-0.1000111.6F470 R471 R476 S477 M478F470-N474 PolarHBondContact O-N 3.49Å; F470-N474 VanDerWaalsContact O-N 3.09Å; R471-N474 PolarHBondContact O-N 3.26Å; N474-R476 PolarHBondContact O-N 3.04Å; N474-S477 WeakPolarHBondContact O-CB 3.4Å; N474-S477 PolarHBondContact O-N 3.34Å; N474-S477 VanDerWaalsContact O-N 3.14Å; N474-M478 PolarHBondContact O-N 3.46Å
475G50.8Low57.9Low27 Ų2787.3 Ų87.328%0.27846%0.463SS..Hα-helixtrans-58.7-44174.100000112.8R471 H472 S477 M478 L479R471-G475 PolarHBondContact O-N 3.42Å; H472-G475 PolarHBondContact O-N 2.97Å; G475-S477 VanDerWaalsContact C-N 3.3Å; G475-S477 PolarHBondContact O-N 2.88Å; G475-M478 PolarHBondContact O-N 3.14Å; G475-L479 PolarHBondContact O-N 3.41Å
476R48.7Very low55.9Low163 Ų16389.4 Ų89.462%0.61547%0.473SS*.Hα-helixtrans-63.1-35174.4-128.6177.4-173.4169.63.1112.8H472 N473 N474 N480H472-R476 PolarHBondContact O-N 3.36Å; N473-R476 PolarHBondContact O-N 3.26Å; N474-R476 PolarHBondContact O-N 3.04Å; R476-N480 PolarHBondContact O-N 3.36Å; R476-N480 VanDerWaalsContact O-N 3.11Å
477S47.2Very low54Low72 Ų7294 Ų9450%0.50350%0.502SS..Hα-helixtrans-69.1-36.6174.4-160.90000112.4N473 N474 G475 C481N473-S477 PolarHBondContact O-N 3.1Å; N473-S477 VanDerWaalsContact O-N 3.1Å; N474-S477 WeakPolarHBondContact O-CB 3.4Å; N474-S477 PolarHBondContact O-N 3.34Å; N474-S477 VanDerWaalsContact O-N 3.14Å; G475-S477 VanDerWaalsContact C-N 3.3Å; G475-S477 PolarHBondContact O-N 2.88Å; S477-C481 PolarHBondContact O-N 3.42Å; S477-C481 VanDerWaalsContact O-N 3.15Å; S477-C481 PolarHBondContact O-SG 3.1Å; S477-C481 VanDerWaalsContact O-SG 3.36Å
478M41.7Very low52.6Low135 Ų135103 Ų10367%0.66554%0.544SS*.Hα-helixtrans-70.2-43.3174.4-67.1-153.9-55.500112N474 G475 N480 C481 T482N474-M478 PolarHBondContact O-N 3.46Å; G475-M478 PolarHBondContact O-N 3.14Å; M478-N480 VanDerWaalsContact C-N 3.31Å; M478-N480 PolarHBondContact O-N 2.99Å; M478-C481 CarbonylContact O-C 3.35Å; M478-C481 WeakPolarHBondContact O-CA 3.38Å; M478-C481 WeakPolarHBondContact O-CB 3.41Å; M478-C481 PolarHBondContact O-N 3.37Å; M478-T482 PolarHBondContact O-N 3.48Å; M478-T482 PolarHBondContact O-OG1 2.97Å; M478-T482 VanDerWaalsContact O-OG1 3.1Å
479L48.8Very low51Low104 Ų104104.9 Ų104.955%0.54555%0.554SS.*Hα-helixtrans-56.1-44.1174.3-86157.3000112G475 C481 T482 N483G475-L479 PolarHBondContact O-N 3.41Å; L479-C481 VanDerWaalsContact C-N 3.31Å; L479-C481 PolarHBondContact O-N 3.11Å; L479-T482 PolarHBondContact O-N 2.85Å; L479-N483 WeakPolarHBondContact O-CB 3.43Å; L479-N483 VanDerWaalsContact O-CG 3.29Å; L479-N483 PolarHBondContact O-N 2.94Å; L479-N483 PolarHBondContact O-OD1 3.2Å; L479-N483 VanDerWaalsContact O-OD1 3.06Å
480N43.9Very low49.2Very low116 Ų116109 Ų10962%0.6257%0.573SS**Hα-helixtrans-64.5-33.7174.2-78.917.2000112.9R476 M478 S484R476-N480 PolarHBondContact O-N 3.36Å; R476-N480 VanDerWaalsContact O-N 3.11Å; M478-N480 VanDerWaalsContact C-N 3.31Å; M478-N480 PolarHBondContact O-N 2.99Å; N480-S484 WeakPolarHBondContact O-CB 3.37Å; N480-S484 PolarHBondContact O-N 3.15Å; N480-S484 VanDerWaalsContact O-N 3.15Å; N480-S484 PolarHBondContact O-OG 3.06Å
481C43.1Very low47.6Very low66 Ų66115.2 Ų115.245%0.44661%0.608SS.*Hα-helixtrans-67.3-45.7172.7-72.90000111.9S477 M478 L479 N483 S484 L485S477-C481 PolarHBondContact O-N 3.42Å; S477-C481 VanDerWaalsContact O-N 3.15Å; S477-C481 PolarHBondContact O-SG 3.1Å; S477-C481 VanDerWaalsContact O-SG 3.36Å; M478-C481 CarbonylContact O-C 3.35Å; M478-C481 WeakPolarHBondContact O-CA 3.38Å; M478-C481 WeakPolarHBondContact O-CB 3.41Å; M478-C481 PolarHBondContact O-N 3.37Å; L479-C481 VanDerWaalsContact C-N 3.31Å; L479-C481 PolarHBondContact O-N 3.11Å; C481-N483 PolarHBondContact O-N 2.74Å; C481-S484 WeakPolarHBondContact CA-OG 3.35Å; C481-S484 CarbonylContact O-C 3.56Å; C481-S484 PolarHBondContact O-N 3.15Å; C481-S484 VanDerWaalsContact O-N 3.09Å; C481-S484 PolarHBondContact O-OG 2.95Å; C481-L485 WeakPolarHBondContact O-CG 3.3Å; C481-L485 PolarHBondContact O-N 2.92Å; C481-L485 VanDerWaalsContact O-N 3.15Å
482T48.5Very low46.2Very low82 Ų82112.2 Ų112.250%0.50361%0.612SS.*Hα-helixtrans-58.8-49.2177.1-490000111M478 L479 S484 L485 E486M478-T482 PolarHBondContact O-N 3.48Å; M478-T482 PolarHBondContact O-OG1 2.97Å; M478-T482 VanDerWaalsContact O-OG1 3.1Å; L479-T482 PolarHBondContact O-N 2.85Å; T482-S484 PolarHBondContact O-N 3.31Å; T482-S484 VanDerWaalsContact O-N 3.17Å; T482-L485 WeakPolarHBondContact O-CA 3.49Å; T482-L485 PolarHBondContact O-N 3.15Å; T482-E486 PolarHBondContact O-N 3.24Å; T482-E486 VanDerWaalsContact O-N 3.16Å
483N48.1Very low45.2Very low103 Ų103109 Ų10955%0.55161%0.611SS**Hα-helixtrans-67.8-14.4178.4-63.923.2000113.2L479 C481L479-N483 WeakPolarHBondContact O-CB 3.43Å; L479-N483 VanDerWaalsContact O-CG 3.29Å; L479-N483 PolarHBondContact O-N 2.94Å; L479-N483 PolarHBondContact O-OD1 3.2Å; L479-N483 VanDerWaalsContact O-OD1 3.06Å; C481-N483 PolarHBondContact O-N 2.74Å
484S45.8Very low44.4Very low90 Ų90109.9 Ų109.963%0.62962%0.615SS**THydrogen-bonded Turntrans-93.9-3.1170.8720000113.9N480 C481 T482N480-S484 WeakPolarHBondContact O-CB 3.37Å; N480-S484 PolarHBondContact O-N 3.15Å; N480-S484 VanDerWaalsContact O-N 3.15Å; N480-S484 PolarHBondContact O-OG 3.06Å; C481-S484 WeakPolarHBondContact CA-OG 3.35Å; C481-S484 CarbonylContact O-C 3.56Å; C481-S484 PolarHBondContact O-N 3.15Å; C481-S484 VanDerWaalsContact O-N 3.09Å; C481-S484 PolarHBondContact O-OG 2.95Å; T482-S484 PolarHBondContact O-N 3.31Å; T482-S484 VanDerWaalsContact O-N 3.17Å
485L47.3Very low43.6Very low138 Ų138112.9 Ų112.972%0.72363%0.626SS**THydrogen-bonded Turntrans-112.5-6.7178.4-71.7167.3000112.7C481 T482 P487C481-L485 WeakPolarHBondContact O-CG 3.3Å; C481-L485 PolarHBondContact O-N 2.92Å; C481-L485 VanDerWaalsContact O-N 3.15Å; T482-L485 WeakPolarHBondContact O-CA 3.49Å; T482-L485 PolarHBondContact O-N 3.15Å; L485-P487 VanDerWaalsContact O-CD 3.3Å; L485-P487 WeakPolarHBondContact O-CD 3.46Å
486E38.1Very low43.1Very low142 Ų142118.7 Ų118.766%0.66465%0.646SS**SBendtrans-68.1119.8163.4-70.1-168133.800110.1T482T482-E486 PolarHBondContact O-N 3.24Å; T482-E486 VanDerWaalsContact O-N 3.16Å
487P38.1Very low42.6Very low99 Ų99113.7 Ų113.764%0.64364%0.639SS**  trans-70.8143.6173-17.232.9000110.8L485 S489L485-P487 VanDerWaalsContact O-CD 3.3Å; L485-P487 WeakPolarHBondContact O-CD 3.46Å; P487-S489 WeakPolarHBondContact CB-OG 3.47Å; P487-S489 PolarHBondContact O-N 3.17Å
488Q42.1Very low42.3Very low211 Ų211113.9 Ų113.999%0.98665%0.645SS**SBendtrans-72.339.8173-64.1-174.5-55.200113.1
489S40.5Very low42.2Very low88 Ų88113.6 Ų113.662%0.61565%0.645SS**  trans-13945.3-167.570.60000113.8P487P487-S489 WeakPolarHBondContact CB-OG 3.47Å; P487-S489 PolarHBondContact O-N 3.17Å
490M40.2Very low41.8Very low153 Ų153116.4 Ų116.475%0.75466%0.658SS**SBendtrans-1409169-128.817577.600116.5
491N42.7Very low41.6Very low157 Ų157116.7 Ų116.784%0.8466%0.663SS**SBendtrans-106.37.6179.8-112.131.8000115.4
492S39.4Very low41.3Very low101 Ų101118 Ų11871%0.70667%0.673SS**SBendtrans-113.11.2177.467.30000114.3
493G40.4Very low40.8Very low52 Ų52123.3 Ų123.354%0.53669%0.692SS.*SBendtrans-102.3-20.1-175.900000115.3
494I40.6Very low39.9Very low117 Ų117125.5 Ų125.560%0.670%0.699SS**SBendtrans-88-39.8-169.9-61.8177.9000111.6H496 A497 A498I494-H496 VanDerWaalsContact C-N 3.32Å; I494-H496 PolarHBondContact O-N 3.09Å; I494-A497 PolarHBondContact O-N 3.16Å; I494-A498 PolarHBondContact O-N 3.5Å
495E40.2Very low39.2Very low155 Ų155128.8 Ų128.872%0.72470%0.702SS**Hα-helixtrans-63.8-35.1179.5-62.2-174137.500112.6
496H40.7Very low38.5Very low149 Ų149129.3 Ų129.369%0.6971%0.711SS**Hα-helixtrans-74.7-20.7176.9-100.1-66.5000114.4I494I494-H496 VanDerWaalsContact C-N 3.32Å; I494-H496 PolarHBondContact O-N 3.09Å
497A38Very low38.2Very low58 Ų58130.4 Ų130.448%0.47972%0.717SS.*Hα-helixtrans-79.8-35.8175.900000111.9I494 L499 M500I494-A497 PolarHBondContact O-N 3.16Å; A497-L499 VanDerWaalsContact C-N 3.28Å; A497-L499 PolarHBondContact O-N 2.79Å; A497-M500 PolarHBondContact O-N 3.34Å
498A40Very low37.8Very low75 Ų75135.1 Ų135.162%0.6273%0.73SS**Hα-helixtrans-65.1-28.2-178.200000113.8I494I494-A498 PolarHBondContact O-N 3.5Å
499L39.6Very low37.2Very low129 Ų129132.1 Ų132.168%0.67572%0.72SS**THydrogen-bonded Turntrans-85.8-10.1-178.7-87.2161.4000114.9A497A497-L499 VanDerWaalsContact C-N 3.28Å; A497-L499 PolarHBondContact O-N 2.79Å
500M39.8Very low36.5Very low164 Ų164132.6 Ų132.681%0.80872%0.723SS**THydrogen-bonded Turntrans-10510.3-175.6-67.8-76.8-82.500113.3A497A497-M500 PolarHBondContact O-N 3.34Å
501V39.9Very low35.9Very low121 Ų121131.9 Ų131.973%0.73372%0.722SS**SBendtrans-116.7-10.9-178.5-179.50000112.2
502S37.9Very low35.3Very low95 Ų95133.7 Ų133.766%0.66472%0.723SS**THydrogen-bonded Turntrans-89.23.6-174.948.50000115.8
503E37Very low34.7Very low192 Ų192132 Ų13290%0.89772%0.722SS**THydrogen-bonded Turntrans-116.73.3-173.4-116.5-176163.300115.8
504E30.6Very low34.1Very low149 Ų149135.9 Ų135.970%0.69674%0.735SS**SBendtrans-111.1113.1172.3-152.3-176.3153.800113.5
505K30.3Very low33.6Very low159 Ų159136.1 Ų136.169%0.69174%0.742SS**  trans67.771163.5-71.7159.6-174.8151.40117.9Q507K505-Q507 PolarHBondContact O-N 3.37Å
506T32.8Very low33Very low149 Ų149133.7 Ų133.791%0.91474%0.742SS**  trans-53.979.6132.3-46.40000111.2
507Q30.6Very low32.3Very low166 Ų166135.6 Ų135.678%0.77675%0.749SS**  trans-164.382167.5-124.9174.4-0.200114.8K505K505-Q507 PolarHBondContact O-N 3.37Å
508H30.5Very low31.8Very low198 Ų198137.6 Ų137.692%0.91776%0.759SS**  trans-166.2120135.5-121.2-79.1000111.1
509D29.5Very low31.1Very low147 Ų147141.8 Ų141.879%0.78677%0.771SS**  trans-87.1153.4-177.3-79.5-63.1000114.2
510S26.6Very low30.6Very low98 Ų98141.5 Ų141.569%0.68577%0.774SS**  trans54.513014372.50000121.1
511L27.9Very low30Very low138 Ų138140.6 Ų140.672%0.72378%0.778SS**  -170.1132.6117.2-12362.8000111.6
512F29.9Very low29.4Very low195 Ų195144 Ų14486%0.85579%0.786SS**  trans48.8128.1166.7-52.6-68.9000120
513G25.9Very low28.9Very low67 Ų67143 Ų14369%0.69179%0.79SS**  cis113.883.5-16.100000117.6
514T28.8Very low28.4Very low132 Ų132143.1 Ų143.181%0.8179%0.793SS**  trans-164.5124.515513.30000114.4
515T28.9Very low28.4Very low122 Ų122139.2 Ų139.275%0.74879%0.792SS**  trans34.1146.1138.759.10000123.4
516S27.7Very low28.9Very low104 Ų104137.9 Ų137.973%0.72780%0.8SS**  cis-174.1144.6-10.7-89.70000112.8
517F27.3Very low28.9Very low189 Ų189141.4 Ų141.483%0.82980%0.798SS**  trans49100.8149.1-94.9-99.6000124.5
518S26.1Very low29.5Very low100 Ų100138.8 Ų138.870%0.69980%0.795SS**  20.6126.2120.2-40.10000123.3
519L25.8Very low29.5Very low164 Ų164137.3 Ų137.386%0.85979%0.793SS**  170.6165.197.8-104.4156.7000115.3
520T28.6Very low29.4Very low122 Ų122135.3 Ų135.375%0.74879%0.791SS**  trans-59.9147.1-169.745.90000120
521V27.4Very low29.4Very low145 Ų145138 Ų13888%0.87980%0.797SS**  trans-142.6157.9144.6-177.80000109.6
522E27.9Very low29.3Very low194 Ų194136 Ų13691%0.90780%0.795SS**  trans-78.2167.6-173.9-55.9166.2106.800115.5
523G27.1Very low29.3Very low72 Ų72132.8 Ų132.874%0.74279%0.792SS**  trans-175.293.3172.900000118.5
524M27.3Very low29.5Very low196 Ų196136.6 Ų136.697%0.96680%0.796SS**  trans51.8113.6149.1-63.8-177.7171.600122.8
525G29.2Very low29.5Very low67 Ų67138.6 Ų138.669%0.69180%0.801SS**  -94.6-177.3129.600000110.3
526P41.7Very low29.5Very low130 Ų130141 Ų14184%0.84481%0.809SS**  -151.7-173.859.142.3-22.1000117.1
527Y33Very low29.4Very low224 Ų224139.6 Ų139.688%0.87881%0.81SS**  trans-81.9163.7160.7-64.4-94.4000111.5
528P43Very low30.3Very low111 Ų111137.2 Ų137.272%0.72181%0.814SS**  -148.3135.7105.338.7-22.2000113.9
529L29.3Very low30.3Very low167 Ų167136.4 Ų136.487%0.87482%0.821SS**  100.2161.985.5-79.4171.6000115.5
530S27.8Very low30.4Very low104 Ų104134.4 Ų134.473%0.72782%0.821SS**  trans-81.4167.9-177.553.70000114.2
531D27.3Very low30.3Very low154 Ų154134.5 Ų134.582%0.82483%0.827SS**  trans-146.8168.1142.9-139.9-25.1000113.6
532S26.4Very low30.2Very low98 Ų98133 Ų13369%0.68582%0.822SS**  trans-162.8129-178.1-69.70000111.4
533T29.5Very low30.3Very low126 Ų126135.2 Ų135.277%0.77382%0.824SS**  trans174.4153.4137.726.60000115.2
534N29.1Very low30.2Very low148 Ų148134.6 Ų134.679%0.79182%0.817SS**  trans53.9123.6142-58.7-16000122.6
535L28.9Very low30.9Very low173 Ų173131.7 Ų131.791%0.90681%0.814SS**  trans-142.2120.1144.7-106.7173.1000111
536L29Very low30.8Very low174 Ų174132.6 Ų132.691%0.91182%0.822SS**  trans-141.6136.8164.4-82.3170.4000106.9
537G25.4Very low30.1Very low74 Ų74130 Ų13076%0.76382%0.819SS**  trans-92.8-156.2175.800000112.6
538P46.7Very low29.9Very low139 Ų139125.8 Ų125.890%0.90382%0.816SS**  cis-123.6-177.1-641-26.8000112.9
539G26.4Very low29.2Very low82 Ų82127.8 Ų127.885%0.84582%0.82SS**  trans-159.9147.1172.700000113.2
540S26.7Very low29.1Very low123 Ų123123.5 Ų123.586%0.8682%0.816SS**  trans-132.4143.7-172.455.90000113.1
541S27Very low29.1Very low124 Ų124126 Ų12687%0.86782%0.821SS**  trans-166.1151.5154.149.40000111.5
542S26.2Very low29.2Very low112 Ų112123.6 Ų123.678%0.78382%0.822SS**  trans-108.3149.3-175.9-45.80000111
543Y28.9Very low29.2Very low241 Ų241122.1 Ų122.195%0.94582%0.823SS**  trans-157.7127.1150.1-97.3-68.3000112.9
544G25.9Very low29.1Very low59 Ų59122.4 Ų122.461%0.60883%0.83SS**  trans-112.4-174.7145.700000108.3
545P41Very low29Very low136 Ų136119.5 Ų119.588%0.88383%0.834SS**  cis-149.6-174.541.742.3-22.1000116.7
546G26.9Very low29Very low85 Ų85117.4 Ų117.488%0.87684%0.835SS**  trans80.5154.416800000114.8
547G26.6Very low28.9Very low75 Ų75112.9 Ų112.977%0.77383%0.83SS**  cis141.1142.21000000107.4
548V29.3Very low29Very low136 Ų136118.2 Ų118.282%0.82484%0.84SS**  cis-169.5154.134139.20000110
549L28Very low28Very low153 Ų153115.5 Ų115.580%0.80184%0.837SS**  trans34.6135.1162.4-92.971.2000123.7L551L549-L551 HydrophobicContact CD2-CD1 4.45Å
550G27.3Very low28Very low77 Ų77115.6 Ų115.679%0.79484%0.838SS**  trans-157.7135.2149.500000109.3
551L28.9Very low28Very low158 Ų158118.1 Ų118.183%0.82784%0.836SS**  trans-131.1160-163.8-101.1169.3000114.6L549L549-L551 HydrophobicContact CD2-CD1 4.45Å
552A28.8Very low27.9Very low102 Ų102118.6 Ų118.684%0.84384%0.838SS**  trans72.1146.1170.300000117.9
553G26.6Very low27.9Very low68 Ų68123.2 Ų123.270%0.70184%0.84SS**  cis-177.3159.7-5.800000116.3
554S28.1Very low27.8Very low132 Ų132118.2 Ų118.292%0.92384%0.835SS**  trans20.7125.9154.157.80000121.6
555G26.6Very low27.8Very low86 Ų86122.3 Ų122.389%0.88784%0.842SS**  trans-170.7105.2157.600000112.4
556S29Very low27.2Very low130 Ų130126.5 Ų126.591%0.90984%0.842SS**  trans-112.4148.2179.749.50000112
557G26.2Very low27.1Very low78 Ų78125.2 Ų125.280%0.80483%0.829SS**  trans-157.9135.7177.600000111.3
558L28.8Very low27.1Very low187 Ų187127.7 Ų127.798%0.97983%0.829SS**  trans-122.3151.2-170.3-87.1159.7000112.1
559G25.7Very low26.9Very low82 Ų82127.7 Ų127.785%0.84582%0.824SS**  trans98.9142.9146.900000117
560G25.9Very low26.8Very low83 Ų83126.7 Ų126.786%0.85682%0.819SS**  trans15059.8174.300000115.4
561Q26.4Very low26.6Very low176 Ų176131.2 Ų131.282%0.82282%0.82SS**  trans-81.5142.8163.9-76.3-174.8-16.200110.5
562C23.9Very low26.4Very low135 Ų135129.9 Ų129.991%0.91282%0.818SS**  trans-149.4124.3148.5-96.60000110.3
563Y27Very low26.4Very low208 Ų208131.2 Ų131.282%0.81682%0.818SS**  trans-94.3142.2165.4-92.1-97.4000109.2
564T27.1Very low26.3Very low137 Ų137137 Ų13784%0.8483%0.827SS**  trans-150.5141.3140.716.10000109
565N26.6Very low26.1Very low145 Ų145135.2 Ų135.278%0.77582%0.82SS**  trans-142.5120.9-177.9-166.25.8000109.6
566Y27.8Very low26Very low224 Ų224135.6 Ų135.688%0.87882%0.815SS**  trans-153.4148.6172.7-81.7-85.4000106.3
567G25Very low25.7Very low57 Ų57141.1 Ų141.159%0.58882%0.816SS**  cis167.3102-200000111.8
568T26.1Very low25.5Very low127 Ų127146.5 Ų146.578%0.77982%0.817SS**  trans63.4129.3151.5530000122.6
569N25Very low25.2Very low137 Ų137143.7 Ų143.773%0.73381%0.811SS**  93.1123.2128.7-73.3-7.6000124
570L25.5Very low25.1Very low131 Ų131146.6 Ų146.669%0.68680%0.803SS**  trans79.1125.8135-93.374.1000123.1
571Q23.5Very low24.9Very low173 Ų173153.2 Ų153.281%0.80880%0.803SS**  trans75.9138138.9-74.7176.6-15.400122
572T25.9Very low24.8Very low130 Ų130149.9 Ų149.980%0.79879%0.791SS**  trans-75.3159.5172.850.30000113.3
573P27.3Very low24.8Very low129 Ų129152.5 Ų152.584%0.83879%0.79SS**  -127.4171.2124.936.7-30.3000113.5
574Q24.4Very low24.7Very low191 Ų191148.7 Ų148.789%0.89379%0.788SS**  trans-101.6168.7179.2-67.4179.7-30.700113.1
575A25.4Very low24.7Very low94 Ų94149.4 Ų149.478%0.77779%0.786SS**  trans93.6107.9144.300000122.1
576A23.4Very low24.6Very low93 Ų93148.6 Ų148.677%0.76978%0.782SS**  74.9108.8120.900000123.3
577R23.1Very low24.5Very low247 Ų247149.4 Ų149.493%0.93279%0.785SS**  178.5141.9121-90.4160.8-160.3-146.26.1107.4
578K22.6Very low24.6Very low191 Ų191150.7 Ų150.783%0.8379%0.786SS**  cis90.695.118.3-147.9-168.7-169.2-165.90116.3
579C21.5Very low24.6Very low127 Ų127153.9 Ų153.986%0.85879%0.789SS**  trans-177.4127.3151.4-92.70000105.6
580H23.3Very low24.5Very low144 Ų144158.8 Ų158.867%0.66780%0.797SS**  cis87.211122.4-131.6-51.5000115.3D582H580-D582 IonicContact CE1-OD1 3.77Å; H580-D582 PolarHBondContact CE1-OD1 3.33Å; H580-D582 VanDerWaalsContact CE1-OD1 3.28Å; H580-D582 IonicContact ND1-OD1 2.69Å; H580-D582 PolarHBondContact ND1-OD1 3.37Å
581Y22.7Very low24.6Very low222 Ų222162.9 Ų162.987%0.87180%0.804SS**  trans-180161.7151-111.6-73.2000108.5
582D24.2Very low24.7Very low105 Ų105164.3 Ų164.356%0.56181%0.81SS**  -144.8-156.3-93.6-79.7-9.7000109.1H580H580-D582 IonicContact CE1-OD1 3.77Å; H580-D582 PolarHBondContact CE1-OD1 3.33Å; H580-D582 VanDerWaalsContact CE1-OD1 3.28Å; H580-D582 IonicContact ND1-OD1 2.69Å; H580-D582 PolarHBondContact ND1-OD1 3.37Å
583E24.3Very low24.6Very low191 Ų191163.3 Ų163.389%0.89381%0.808SS**  trans83.5150.7-179.9-57.6-167.7138.400118.4
584V25.1Very low24.5Very low128 Ų128161.8 Ų161.878%0.77681%0.806SS**  -172.6169.7-69.6149.80000109.2
585D26.2Very low24.6Very low151 Ų151161.9 Ų161.981%0.80781%0.807SS**  trans98.398.7-174.8-65.2-10.3000112.7
586D25.4Very low24.6Very low129 Ų129160.8 Ų160.869%0.6980%0.804SS**  cis76.411744.1-163.525000115.6
587Y25.8Very low24.8Very low240 Ų240167.7 Ų167.794%0.94181%0.811SS**  trans-152.6126.7153.7-118.2-78.8000109.6
588S25.3Very low25Very low85 Ų85161.9 Ų161.959%0.59480%0.797SS**  trans-101.6152.2-153.652.80000116.7
589F25.8Very low25.1Very low194 Ų194158.1 Ų158.185%0.85179%0.79SS**  trans-60.9139.4170.2-121.5-109.5000111.9
590R24Very low25.3Very low240 Ų240160.6 Ų160.691%0.90679%0.789SS**  trans-137.8127.1157.6-72.7-166.3-178.5-166.91.9113
591R26.6Very low25.4Very low217 Ų217160.8 Ų160.882%0.81979%0.792SS**  trans-122.8136.6155.5-75.2-178.4174.1-178.6-0.8107.2
592H26.5Very low25.5Very low202 Ų202159.8 Ų159.894%0.93579%0.792SS**  trans-165.6170.7143.1-106.427000111.3
593S24.9Very low25.6Very low110 Ų110158.1 Ų158.177%0.76980%0.8SS**  trans-130.2153.6-164.7-178.80000111.9
594A24.5Very low25.6Very low96 Ų96159 Ų15979%0.79380%0.801SS**  trans-151.6170.6171.800000111.5
595H26.3Very low26.1Very low194 Ų194158.3 Ų158.390%0.89880%0.799SS**  trans-140147-163.4-114.146.3000114.4
596G24.8Very low26.1Very low71 Ų71158.8 Ų158.873%0.73280%0.801SS**  trans89.7163.4166.100000116.2
597R27.3Very low26.1Very low238 Ų238159.5 Ų159.590%0.89880%0.803SS**  cis-172.8160.72.3-109176.6-166.6-162.74.4107.9
598I27.2Very low26.1Very low125 Ų125155.9 Ų155.964%0.64180%0.799SS**  cis-164.8153.3-6.1-150.7175.6000110.8
599T26.3Very low26Very low112 Ų112154.8 Ų154.869%0.68780%0.801SS**  trans62.8158.7166.359.20000120.1
600Q24.3Very low26.5Very low179 Ų179151.4 Ų151.484%0.83680%0.799SS**  cis-114.9155.49.1-55.3-173.21200111.4
601M25.4Very low26.6Very low148 Ų148146 Ų14673%0.72979%0.792SS**  61.3127.251.2-80.9-162-169.500113.3
602K25.3Very low26.6Very low200 Ų200142.4 Ų142.487%0.8779%0.788SS**  cis-139.7179.81.3-76.6142.1-178.9175.70108
603G25.7Very low26.5Very low71 Ų71141.4 Ų141.473%0.73278%0.781SS**  cis-176.7-134.91000000112.9
604K24.3Very low26.6Very low209 Ų209144.9 Ų144.991%0.90978%0.782SS**  trans-146.2179.5169.8-57.4-173.8-179.6179.30108
605P35.6Very low26.7Very low114 Ų114146.5 Ų146.574%0.7478%0.777SS**  cis-140.7164.61.342.3-23.5000118.3
606L26.5Very low26.8Very low161 Ų161147.5 Ų147.584%0.84378%0.779SS**  trans38.7158.2133.9-134.672.2000125.7
607I26.1Very low27.2Very low143 Ų143153.4 Ų153.473%0.73379%0.785SS**  trans88.6138.1156.4-14-173.7000121.2
608L24.6Very low27.3Very low165 Ų165151.4 Ų151.486%0.86478%0.782SS**  trans86.6125.9159.8-79143.8000120
609G23.8Very low27.5Very low61 Ų61154.4 Ų154.463%0.62979%0.794SS**  trans-97-167.2160.800000111.5
610P36.4Very low27.6Very low124 Ų124160.7 Ų160.781%0.80581%0.805SS**  -146.7154.676.537.9-20.7000117.9
611T25.7Very low28.1Very low125 Ų125157.6 Ų157.677%0.76780%0.798SS**  trans14129.6134.7-28.60000120.2
612I27Very low28.4Very low142 Ų142157.1 Ų157.173%0.72880%0.799SS**  -179.3117.8113.4-93.4164.2000115.3
613K24.8Very low28.7Very low181 Ų181159.8 Ų159.879%0.78780%0.803SS**  trans51.2144.8142.5-57.9179.3-179.3173.50124.2
614K26.2Very low28.9Very low184 Ų184162.9 Ų162.980%0.880%0.803SS**  trans76.9142159.7-71.3-176.7177.9-175.50117.3
615D27.9Very low29.3Very low129 Ų129158.3 Ų158.369%0.6979%0.792SS**  cis-130.2144.2-0.9-103.5-45.6000113.1
616K28.6Very low29.1Very low215 Ų215157.1 Ų157.194%0.93579%0.792SS**  trans-120.390.9165.1-87.9-166.2173.9-174.50108.3
617K31.2Very low29.3Very low196 Ų196153.5 Ų153.585%0.85278%0.78SS**  trans-152.353.2178.8-147.3179.7-177.1-175.10116.2
618K30.8Very low29.6Very low196 Ų196154.8 Ų154.885%0.85278%0.783SS**SBendtrans-152.2167154-114.7175.6179-176.20109.4R620K618-R620 PolarHBondContact O-N 3.19Å
619E30.4Very low30Very low188 Ų188157.7 Ų157.788%0.87978%0.783SS**SBendtrans59.940175.2-61.1178.3-179.300115.7
620R29.6Very low30.2Very low244 Ų244164.6 Ų164.692%0.92180%0.796SS**SBendtrans-132.640.5155.6-147.2-177.4-159-1343.1112.8K618K618-R620 PolarHBondContact O-N 3.19Å
621T33.6Very low30Very low114 Ų114166.3 Ų166.370%0.69980%0.797SS**SBendtrans-144.9108.2174.341.70000106.3
622D32.6Very low30.2Very low138 Ų138170 Ų17074%0.73881%0.806SS**SBendtrans172.6-30162-90.3-18.4000110L624D622-L624 VanDerWaalsContact C-N 3.3Å; D622-L624 PolarHBondContact O-N 2.89Å
623W31.7Very low30.3Very low255 Ų255167.3 Ų167.397%0.96681%0.814SS**THydrogen-bonded Turntrans-8619.7177.9-77.2100000115.7
624L29.7Very low30.4Very low137 Ų137162.3 Ų162.372%0.71781%0.813SS**THydrogen-bonded Turntrans-128.66.1175.3-86.4167.1000113.5D622D622-L624 VanDerWaalsContact C-N 3.3Å; D622-L624 PolarHBondContact O-N 2.89Å
625T32.7Very low30.5Very low112 Ų112165.7 Ų165.769%0.68782%0.821SS**SBendtrans-107.722.3-173-25.10000113.1
626A30.6Very low30.5Very low90 Ų90164.9 Ų164.974%0.74483%0.826SS**SBendtrans-122.8-18.2-177.300000114.5
627S31.9Very low30.5Very low85 Ų85161.7 Ų161.759%0.59482%0.824SS**SBendtrans-87.5-12.5-175.846.10000115
628E31.5Very low30.5Very low169 Ų169161.4 Ų161.479%0.7983%0.825SS**SBendtrans-109.914.1-171.6-63.4-171.9138.400114.3
629R32.6Very low30.4Very low227 Ų227161.6 Ų161.686%0.85783%0.829SS**SBendtrans-114.122.7177.5-76.1-166.7175.4-171.90.5115.2
630F29.6Very low30.3Very low205 Ų205155.8 Ų155.890%0.89982%0.82SS**SBendtrans-132.715.5175.3-105.5-82.7000114.5
631L30.9Very low30.2Very low160 Ų160156.3 Ų156.384%0.83882%0.822SS**SBendtrans-115.64.9178-75.6172.7000114.9
632E31Very low30Very low202 Ų202156.6 Ų156.694%0.94483%0.829SS**SBendtrans-118.593.7168.9-67.2-162.3132.100110.1
633G28.6Very low29.9Very low87 Ų87154.9 Ų154.990%0.89783%0.834SS**  trans-177.536.6-172.800000116.1
634G27.4Very low29.9Very low76 Ų76147 Ų14778%0.78482%0.824SS**  trans176.285.8178.400000115.1
635R28Very low29.9Very low254 Ų254146.6 Ų146.696%0.95883%0.832SS**  trans-139.974.4173.3-113.8-169.1-176.9-168.83.4113.7
636S27.9Very low29.8Very low113 Ų113145.6 Ų145.679%0.7984%0.835SS**  trans-163.4136.6160.942.20000107.6
637T29.1Very low30.7Very low147 Ų147146.8 Ų146.890%0.90284%0.835SS**  cis-138.3163.2-1.717.60000109.8
638H30.6Very low30.7Very low190 Ų190152 Ų15288%0.8885%0.85SS**  trans-128.2119.1-175.5-133-30000111.6
639Q28.1Very low30.8Very low200 Ų200152.6 Ų152.694%0.93585%0.852SS**  trans-172.7133161.2-103174.134.500106.9
640G27.8Very low31.6Very low67 Ų67147 Ų14769%0.69185%0.846SS**  cis176.5-176.5-7.500000111.2
641R28.6Very low31.7Very low255 Ų255149.3 Ų149.396%0.96285%0.848SS**  trans80.5105173.4-61.4-175.2172.1179.9-2.5119.3
642S28.8Very low32Very low119 Ų119150.6 Ų150.683%0.83285%0.85SS**  trans-44.1149.4151.4173.70000115.9
643A30.2Very low32.6Very low102 Ų102146.7 Ų146.784%0.84384%0.842SS**  -160.3150.412800000112.6
644A31.4Very low33.6Very low91 Ų91148.3 Ų148.375%0.75284%0.837SS**  trans-85.8-171.2-165.500000117.3
645S29.7Very low34.5Very low127 Ų127150.8 Ų150.889%0.88884%0.839SS**  trans96.3157.716078.60000118.6
646A32Very low35.2Very low92 Ų92145.4 Ų145.476%0.7683%0.834SS**  trans-138.5-151.4-160.900000112.2
647P49.6Very low35.5Very low114 Ų114145.8 Ų145.874%0.7484%0.836SS**  -114.5160-10838-24.4000115.1
648H31.5Very low36.9Very low195 Ų195145 Ų14590%0.90383%0.833SS**  trans-150.1133.7164.1-101.1-71.3000114.7
649H34.1Very low37.6Very low181 Ų181141.8 Ų141.884%0.83883%0.832SS**  trans-113178.3159.7-93.9-54.7000107.9
650P47.9Very low38.6Very low111 Ų111138 Ų13872%0.72183%0.827SS**  cis-133.6168.9-42.137.9-24000111.9
651R32.4Very low39.3Very low252 Ų252138.1 Ų138.195%0.95183%0.829SS**  trans-148.2146.4158.1-72.5-160.8177.3-170-0.8113.3
652Q37.7Very low40.3Very low187 Ų187136.1 Ų136.187%0.87485%0.848SS**  trans-95.3170.1169.4-64.7173.3-36.200111.3
653P44.1Very low40.9Very low121 Ų121137 Ų13779%0.78685%0.849SS**  trans-121.8162.1138.317.42.2000113.6
654P48Very low41.5Very low120 Ų120138.8 Ų138.878%0.77985%0.85SS**  trans-101.1179.8-17042.1-37.4000114.3
655P46.9Very low42Very low128 Ų128141.4 Ų141.483%0.83186%0.855SS**  trans-94.4176-163.338.2-36.7000115.8
656V43Very low42.7Very low142 Ų142142.3 Ų142.386%0.86185%0.853SS**  trans-128.7135.9178.2177.30000111.6
657C34.9Very low43.4Very low121 Ų121145.4 Ų145.482%0.81886%0.859SS**  trans-158.3167169.4-83.10000108.2
658P58Low43Very low130 Ų130147.5 Ų147.584%0.84487%0.867SS**  cis-122.9-177.2-45.838.8-25.5000110.9
659S44.3Very low43.8Very low123 Ų123144.1 Ų144.186%0.8686%0.864SS**  trans-142.8164.1167.360.60000112
660S49Very low44.6Very low120 Ų120141.3 Ų141.384%0.83987%0.866SS**  trans-142.1133-15657.40000115.3
661G43.3Very low44.3Very low70 Ų70143.8 Ų143.872%0.72288%0.878SS**  trans73.6178.3162.600000116.7
662P50Low45.4Very low212 Ų212134 Ų134100%1.37787%0.872SS**  cis-75.70-3.1-8.926.9000113.6

Retrieved 662 of 662 residues in 198.6 ms (Link to these results)

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