A0A5K4FE12_SCHMA Loading...

DC_STAMP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,203 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
1M60.3Low77.2Confident91 Ų9152.5 Ų52.545%0.44826%0.258SS..  0-83.90-65.3-60.4-153.600111.4Y3 Q4 H5 R322 I324M1-Y3 PolarHBondContact O-N 3.25Å; M1-Q4 CarbonylContact O-C 3.56Å; M1-Q4 WeakPolarHBondContact O-CA 3.47Å; M1-Q4 VanDerWaalsContact O-CB 3.32Å; M1-Q4 WeakPolarHBondContact O-CB 3.42Å; M1-Q4 PolarHBondContact O-N 2.92Å; M1-H5 PolarHBondContact O-CD2 3.15Å; M1-H5 PolarHBondContact O-N 3.12Å; M1-R322 HydrophobicContact CE-CB 4.46Å; M1-I324 HydrophobicContact CG-CD1 4.33Å; M1-I324 HydrophobicContact CG-CG1 4.2Å
2L66.2Low78.2Confident100 Ų10053.6 Ų53.652%0.52427%0.27SS..Hα-helixtrans-57-47.9-172.8-166.969.2000113.9Q4 H5 I6L2-Q4 VanDerWaalsContact C-N 3.28Å; L2-Q4 PolarHBondContact O-N 3.2Å; L2-H5 WeakPolarHBondContact O-CB 3.33Å; L2-H5 PolarHBondContact O-N 3.36Å; L2-H5 VanDerWaalsContact O-N 3.12Å; L2-I6 HydrophobicContact CG-CD1 4.09Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.39Å; L2-I6 PolarHBondContact O-N 3.35Å
3Y72.5Confident79Confident43 Ų4350.4 Ų50.417%0.16926%0.255CS..Hα-helixtrans-60.9-35.2174.9-170.2-98.4000112.9M1 I6 C7 E73 T77 V289 T293M1-Y3 PolarHBondContact O-N 3.25Å; Y3-I6 PolarHBondContact O-N 2.77Å; Y3-C7 VanDerWaalsContact CE1-SG 3.51Å; Y3-C7 PolarHBondContact O-N 2.93Å; Y3-C7 PolarHBondContact O-SG 3.48Å; Y3-E73 PolarHBondContact OH-OE2 3.46Å; Y3-T77 HydrophobicContact CD1-CG2 3.52Å; Y3-T77 HydrophobicContact CE1-CG2 3.59Å; Y3-V289 HydrophobicContact CE2-CG1 4.11Å; Y3-T293 HydrophobicContact CE2-CG2 4.2Å
4Q74.4Confident79.8Confident33 Ų3346.8 Ų46.815%0.15424%0.237CC..Hα-helixtrans-68-41.1174.2-68.8162.9-33.700111.2M1 L2 I6 C7 I8 Y74 T77M1-Q4 CarbonylContact O-C 3.56Å; M1-Q4 WeakPolarHBondContact O-CA 3.47Å; M1-Q4 VanDerWaalsContact O-CB 3.32Å; M1-Q4 WeakPolarHBondContact O-CB 3.42Å; M1-Q4 PolarHBondContact O-N 2.92Å; L2-Q4 VanDerWaalsContact C-N 3.28Å; L2-Q4 PolarHBondContact O-N 3.2Å; Q4-I6 VanDerWaalsContact C-N 3.3Å; Q4-I6 PolarHBondContact O-N 3.19Å; Q4-C7 PolarHBondContact O-N 3.41Å; Q4-I8 WeakPolarHBondContact O-CB 3.48Å; Q4-I8 VanDerWaalsContact O-CG1 3.23Å; Q4-I8 WeakPolarHBondContact O-CG1 3.49Å; Q4-I8 PolarHBondContact O-N 2.79Å; Q4-Y74 HydrophobicContact CB-CE2 4.3Å; Q4-T77 PolarHBondContact NE2-O 3.06Å
5H78.5Confident80.5Confident112 Ų11246.1 Ų46.152%0.51924%0.238SC..Hα-helixtrans-63.5-38.3174.3-69.5-60.7000111.7M1 L2 I8 L9M1-H5 PolarHBondContact O-CD2 3.15Å; M1-H5 PolarHBondContact O-N 3.12Å; L2-H5 WeakPolarHBondContact O-CB 3.33Å; L2-H5 PolarHBondContact O-N 3.36Å; L2-H5 VanDerWaalsContact O-N 3.12Å; H5-I8 PolarHBondContact O-N 2.86Å; H5-L9 VanDerWaalsContact O-CB 3.27Å; H5-L9 WeakPolarHBondContact O-CB 3.38Å; H5-L9 PolarHBondContact O-N 3.13Å
6I77.9Confident81.2Confident13 Ų1348.3 Ų48.37%0.06725%0.249CC..Hα-helixtrans-66.7-45175.3-66.2166000110.1L2 Y3 Q4 I8 L9 S10 V288 V289L2-I6 HydrophobicContact CG-CD1 4.09Å; L2-I6 VanDerWaalsContact O-CG1 3.28Å; L2-I6 WeakPolarHBondContact O-CG1 3.39Å; L2-I6 PolarHBondContact O-N 3.35Å; Y3-I6 PolarHBondContact O-N 2.77Å; Q4-I6 VanDerWaalsContact C-N 3.3Å; Q4-I6 PolarHBondContact O-N 3.19Å; I6-I8 VanDerWaalsContact C-N 3.32Å; I6-I8 PolarHBondContact O-N 3.03Å; I6-L9 PolarHBondContact O-N 3.08Å; I6-S10 WeakPolarHBondContact O-CB 3.39Å; I6-S10 PolarHBondContact O-N 2.76Å; I6-S10 PolarHBondContact O-OG 3.14Å; I6-V288 HydrophobicContact CD1-CG1 4.04Å; I6-V289 HydrophobicContact CG2-CB 4.3Å; I6-V289 HydrophobicContact CG2-CG2 3.14Å
7C80.5Confident81.7Confident0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-58.4-44.3173.5-66.60000111.2Y3 Q4 S10 I11 W70 Y74Y3-C7 VanDerWaalsContact CE1-SG 3.51Å; Y3-C7 PolarHBondContact O-N 2.93Å; Y3-C7 PolarHBondContact O-SG 3.48Å; Q4-C7 PolarHBondContact O-N 3.41Å; C7-S10 PolarHBondContact O-N 3.45Å; C7-I11 WeakPolarHBondContact O-CG1 3.25Å; C7-I11 PolarHBondContact O-N 3.49Å; C7-W70 HydrophobicContact CB-CE3 4.25Å; C7-Y74 HydrophobicContact CB-CD2 4.24Å
8I83.1Confident82.2Confident64 Ų6445 Ų4533%0.32823%0.233SC..Hα-helixtrans-61.6-45.8175.6-70163.8000110.6Q4 H5 I6 S10 I11 V12 Y74Q4-I8 WeakPolarHBondContact O-CB 3.48Å; Q4-I8 VanDerWaalsContact O-CG1 3.23Å; Q4-I8 WeakPolarHBondContact O-CG1 3.49Å; Q4-I8 PolarHBondContact O-N 2.79Å; H5-I8 PolarHBondContact O-N 2.86Å; I6-I8 VanDerWaalsContact C-N 3.32Å; I6-I8 PolarHBondContact O-N 3.03Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.43Å; I8-I11 WeakPolarHBondContact O-CB 3.35Å; I8-I11 PolarHBondContact O-N 2.87Å; I8-V12 HydrophobicContact CG2-CG2 4.29Å; I8-V12 VanDerWaalsContact O-CG2 3.29Å; I8-V12 WeakPolarHBondContact O-CG2 3.47Å; I8-V12 PolarHBondContact O-N 3.3Å; I8-Y74 HydrophobicContact CD1-CE2 3.69Å; I8-Y74 HydrophobicContact CG1-CD2 4.03Å; I8-Y74 HydrophobicContact CG1-CE2 3.57Å
9L83.8Confident82.6Confident89 Ų8947.3 Ų47.347%0.46624%0.244SC..Hα-helixtrans-64.7-37179.7-172.165000111.5H5 I6 V12 T13 T285H5-L9 VanDerWaalsContact O-CB 3.27Å; H5-L9 WeakPolarHBondContact O-CB 3.38Å; H5-L9 PolarHBondContact O-N 3.13Å; I6-L9 PolarHBondContact O-N 3.08Å; L9-V12 PolarHBondContact O-N 2.86Å; L9-T13 WeakPolarHBondContact O-CB 3.47Å; L9-T13 WeakPolarHBondContact O-CG2 3.24Å; L9-T13 PolarHBondContact O-N 3.37Å; L9-T13 PolarHBondContact O-OG1 3.19Å; L9-T285 HydrophobicContact CD2-CG2 3.56Å; L9-T285 HydrophobicContact CG-CG2 3.75Å
10S85.6Confident83Confident0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-68.7-37.4172.6-63.30000112.3I6 C7 I8 T13 T14I6-S10 WeakPolarHBondContact O-CB 3.39Å; I6-S10 PolarHBondContact O-N 2.76Å; I6-S10 PolarHBondContact O-OG 3.14Å; C7-S10 PolarHBondContact O-N 3.45Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.43Å; S10-T13 WeakPolarHBondContact CA-OG1 3.27Å; S10-T13 PolarHBondContact O-OG1 2.87Å; S10-T14 VanDerWaalsContact O-CB 3.32Å; S10-T14 WeakPolarHBondContact O-CB 3.38Å; S10-T14 VanDerWaalsContact O-CG2 3.24Å; S10-T14 WeakPolarHBondContact O-CG2 3.43Å; S10-T14 PolarHBondContact O-N 3.38Å; S10-T14 PolarHBondContact O-OG1 3.15Å
11I86.8Confident83.3Confident32 Ų3244.1 Ų44.116%0.16423%0.226CC..Hα-helixtrans-62.6-45.4170.5-69.2163.2000110.4C7 I8 T14 S15 L67 W70 L71 Y74C7-I11 WeakPolarHBondContact O-CG1 3.25Å; C7-I11 PolarHBondContact O-N 3.49Å; I8-I11 WeakPolarHBondContact O-CB 3.35Å; I8-I11 PolarHBondContact O-N 2.87Å; I11-T14 WeakPolarHBondContact CA-OG1 3.29Å; I11-T14 PolarHBondContact O-OG1 3.31Å; I11-S15 VanDerWaalsContact O-CB 3.24Å; I11-S15 WeakPolarHBondContact O-CB 3.29Å; I11-S15 PolarHBondContact O-N 3.05Å; I11-S15 PolarHBondContact O-OG 2.83Å; I11-S15 VanDerWaalsContact O-OG 3.12Å; I11-L67 HydrophobicContact CG2-CD2 4.05Å; I11-W70 HydrophobicContact CD1-CB 4.31Å; I11-W70 HydrophobicContact CG1-CB 3.62Å; I11-L71 HydrophobicContact CD1-CD2 4.1Å; I11-Y74 HydrophobicContact CD1-CG 4.45Å
12V89.1Confident84.7Confident66 Ų6644.1 Ų44.140%0.423%0.228SC..Hα-helixtrans-63.8-50.5179.5170.80000110.5I8 L9 T14 S15 L16I8-V12 HydrophobicContact CG2-CG2 4.29Å; I8-V12 VanDerWaalsContact O-CG2 3.29Å; I8-V12 WeakPolarHBondContact O-CG2 3.47Å; I8-V12 PolarHBondContact O-N 3.3Å; L9-V12 PolarHBondContact O-N 2.86Å; V12-T14 PolarHBondContact O-N 3.03Å; V12-S15 WeakPolarHBondContact CA-OG 3.43Å; V12-S15 PolarHBondContact O-N 3.29Å; V12-S15 PolarHBondContact O-OG 3.2Å; V12-L16 HydrophobicContact CG1-CD1 4.14Å; V12-L16 WeakPolarHBondContact O-CG 3.3Å; V12-L16 PolarHBondContact O-N 3.03Å
13T88.9Confident85.7Confident12 Ų1244 Ų447%0.07423%0.226CC..Hα-helixtrans-63.8-39.7179.450.30000112.7L9 S10 L16 I17 M281 T285L9-T13 WeakPolarHBondContact O-CB 3.47Å; L9-T13 WeakPolarHBondContact O-CG2 3.24Å; L9-T13 PolarHBondContact O-N 3.37Å; L9-T13 PolarHBondContact O-OG1 3.19Å; S10-T13 WeakPolarHBondContact CA-OG1 3.27Å; S10-T13 PolarHBondContact O-OG1 2.87Å; T13-L16 PolarHBondContact O-N 3.31Å; T13-I17 WeakPolarHBondContact O-CG1 3.4Å; T13-I17 PolarHBondContact O-N 3.48Å; T13-I17 VanDerWaalsContact O-N 3.11Å; T13-M281 HydrophobicContact CG2-CB 4.45Å; T13-T285 HydrophobicContact CG2-CG2 4.4Å
14T90.3Very high86.3Confident0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-67.2-38.5173.950.20000112.4S10 I11 V12 I17 L18 C66 L67 R282S10-T14 VanDerWaalsContact O-CB 3.32Å; S10-T14 WeakPolarHBondContact O-CB 3.38Å; S10-T14 VanDerWaalsContact O-CG2 3.24Å; S10-T14 WeakPolarHBondContact O-CG2 3.43Å; S10-T14 PolarHBondContact O-N 3.38Å; S10-T14 PolarHBondContact O-OG1 3.15Å; I11-T14 WeakPolarHBondContact CA-OG1 3.29Å; I11-T14 PolarHBondContact O-OG1 3.31Å; V12-T14 PolarHBondContact O-N 3.03Å; T14-I17 PolarHBondContact O-N 3.02Å; T14-L18 WeakPolarHBondContact O-CB 3.4Å; T14-L18 PolarHBondContact O-N 3.2Å; T14-C66 HydrophobicContact CG2-CB 3.91Å; T14-L67 VanDerWaalsContact OG1-CD2 3.3Å; T14-L67 WeakPolarHBondContact OG1-CD2 3.2Å; T14-R282 HydrophobicContact CG2-CG 4.48Å
15S90.1Very high86.7Confident37 Ų3743.1 Ų43.126%0.25923%0.226SC..Hα-helixtrans-66.2-36.5174.869.70000112.7I11 V12 L18 I19I11-S15 VanDerWaalsContact O-CB 3.24Å; I11-S15 WeakPolarHBondContact O-CB 3.29Å; I11-S15 PolarHBondContact O-N 3.05Å; I11-S15 PolarHBondContact O-OG 2.83Å; I11-S15 VanDerWaalsContact O-OG 3.12Å; V12-S15 WeakPolarHBondContact CA-OG 3.43Å; V12-S15 PolarHBondContact O-N 3.29Å; V12-S15 PolarHBondContact O-OG 3.2Å; S15-L18 PolarHBondContact O-N 3.21Å; S15-I19 WeakPolarHBondContact O-CB 3.44Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.48Å; S15-I19 PolarHBondContact O-N 2.9Å
16L90.9Very high86.8Confident80 Ų8048.7 Ų48.742%0.41924%0.242SC..Hα-helixtrans-65.1-40.5174-73.8171000111.7V12 T13 I19 Y20 L278V12-L16 HydrophobicContact CG1-CD1 4.14Å; V12-L16 WeakPolarHBondContact O-CG 3.3Å; V12-L16 PolarHBondContact O-N 3.03Å; T13-L16 PolarHBondContact O-N 3.31Å; L16-I19 PolarHBondContact O-N 3.25Å; L16-Y20 VanDerWaalsContact O-CB 3.27Å; L16-Y20 WeakPolarHBondContact O-CB 3.5Å; L16-Y20 PolarHBondContact O-N 3.14Å; L16-L278 HydrophobicContact CB-CD2 4.08Å
17I90Very high86.7Confident1 Ų151 Ų511%0.00525%0.254CS..Hα-helixtrans-65.5-41.5173.8-65.9162.8000110.4T13 T14 Y20 A21 C63 L278 R282T13-I17 WeakPolarHBondContact O-CG1 3.4Å; T13-I17 PolarHBondContact O-N 3.48Å; T13-I17 VanDerWaalsContact O-N 3.11Å; T14-I17 PolarHBondContact O-N 3.02Å; I17-Y20 PolarHBondContact O-N 2.94Å; I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 3.19Å; I17-C63 VanDerWaalsContact CG2-SG 3.53Å; I17-L278 HydrophobicContact CG1-CB 3.84Å; I17-R282 HydrophobicContact CD1-CB 3.9Å; I17-R282 HydrophobicContact CD1-CG 4.39Å
18L91.1Very high86.2Confident37 Ų3756 Ų5619%0.19429%0.287CS..Hα-helixtrans-61-46.4176.1-177.667.9000111.7T14 S15 Y20 A21 L22 I60 C63 L67T14-L18 WeakPolarHBondContact O-CB 3.4Å; T14-L18 PolarHBondContact O-N 3.2Å; S15-L18 PolarHBondContact O-N 3.21Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-Y20 PolarHBondContact O-N 2.79Å; L18-A21 PolarHBondContact O-N 3.49Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 3.34Å; L18-I60 HydrophobicContact CD1-CB 4.37Å; L18-I60 HydrophobicContact CD1-CG1 4.01Å; L18-I60 HydrophobicContact CD1-CG2 4.28Å; L18-C63 HydrophobicContact CB-CB 3.92Å; L18-C63 HydrophobicContact CD1-CB 3.86Å; L18-C63 HydrophobicContact CG-CB 4.41Å; L18-L67 HydrophobicContact CD2-CD1 3.83Å
19I89.9Confident85.4Confident88 Ų8854 Ų5445%0.45128%0.277SS..Hα-helixtrans-60.7-45.7176.1-70.3164.4000109.9S15 L16 A21 L22 I23S15-I19 WeakPolarHBondContact O-CB 3.44Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.48Å; S15-I19 PolarHBondContact O-N 2.9Å; L16-I19 PolarHBondContact O-N 3.25Å; I19-A21 VanDerWaalsContact C-N 3.35Å; I19-A21 PolarHBondContact O-N 3.41Å; I19-L22 PolarHBondContact O-N 2.89Å; I19-I23 HydrophobicContact CG2-CD1 3.64Å; I19-I23 HydrophobicContact CG2-CG1 4.32Å; I19-I23 WeakPolarHBondContact O-CB 3.27Å; I19-I23 VanDerWaalsContact O-CG1 3.26Å; I19-I23 WeakPolarHBondContact O-CG1 3.37Å; I19-I23 PolarHBondContact O-N 3.19Å
20Y90.7Very high84.5Confident29 Ų2951.6 Ų51.611%0.11427%0.267CS..Hα-helixtrans-60.1-42.9177.1176.9-98.2000112.1L16 I17 L18 I23 S24 Y271 I274 L278L16-Y20 VanDerWaalsContact O-CB 3.27Å; L16-Y20 WeakPolarHBondContact O-CB 3.5Å; L16-Y20 PolarHBondContact O-N 3.14Å; I17-Y20 PolarHBondContact O-N 2.94Å; L18-Y20 VanDerWaalsContact C-N 3.33Å; L18-Y20 PolarHBondContact O-N 2.79Å; Y20-I23 PolarHBondContact O-N 2.93Å; Y20-S24 WeakPolarHBondContact O-CB 3.48Å; Y20-S24 PolarHBondContact O-N 3.32Å; Y20-S24 PolarHBondContact O-OG 2.93Å; Y20-Y271 HydrophobicContact CE1-CE2 4.17Å; Y20-Y271 AromaticContact CZ-CD2 3.95Å; Y20-Y271 AromaticContact CZ-CE2 3.77Å; Y20-Y271 WeakPolarHBondContact OH-CD2 3.48Å; Y20-Y271 WeakPolarHBondContact OH-CE2 3.48Å; Y20-Y271 PolarHBondContact OH-O 3.31Å; Y20-I274 HydrophobicContact CD2-CG2 3.99Å; Y20-I274 HydrophobicContact CE2-CB 4.24Å; Y20-I274 HydrophobicContact CE2-CG2 3.64Å; Y20-L278 HydrophobicContact CD1-CD1 4.23Å; Y20-L278 HydrophobicContact CD2-CD1 4.07Å; Y20-L278 HydrophobicContact CG-CD1 3.78Å
21A88.8Confident83Confident0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-65.8-41176.200000112.3I17 L18 I19 S24 L25 E59 I60I17-A21 WeakPolarHBondContact O-CB 3.4Å; I17-A21 PolarHBondContact O-N 3.19Å; L18-A21 PolarHBondContact O-N 3.49Å; I19-A21 VanDerWaalsContact C-N 3.35Å; I19-A21 PolarHBondContact O-N 3.41Å; A21-S24 WeakPolarHBondContact O-CB 3.47Å; A21-S24 PolarHBondContact O-N 2.87Å; A21-L25 PolarHBondContact O-N 3.41Å; A21-L25 VanDerWaalsContact O-N 3.09Å; A21-E59 HydrophobicContact CB-CB 3.94Å; A21-I60 HydrophobicContact CB-CG1 3.92Å
22L89Confident81.4Confident91 Ų9158.7 Ų58.748%0.47630%0.302SS..Hα-helixtrans-65.9-40.6176.2-73.8169.9000112.6L18 I19 S24 L25 I60L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.33Å; L18-L22 PolarHBondContact O-N 3.34Å; I19-L22 PolarHBondContact O-N 2.89Å; L22-S24 VanDerWaalsContact C-N 3.33Å; L22-L25 PolarHBondContact O-N 2.79Å; L22-I60 HydrophobicContact CD2-CD1 4Å
23I87.2Confident79.7Confident96 Ų9658.4 Ų58.449%0.49230%0.295SS..Hα-helixtrans-63.7-44173.7-69.4168.1000109.5I19 Y20 L25 R26 L27I19-I23 HydrophobicContact CG2-CD1 3.64Å; I19-I23 HydrophobicContact CG2-CG1 4.32Å; I19-I23 WeakPolarHBondContact O-CB 3.27Å; I19-I23 VanDerWaalsContact O-CG1 3.26Å; I19-I23 WeakPolarHBondContact O-CG1 3.37Å; I19-I23 PolarHBondContact O-N 3.19Å; Y20-I23 PolarHBondContact O-N 2.93Å; I23-L25 PolarHBondContact O-N 3.44Å; I23-R26 CarbonylContact O-C 3.54Å; I23-R26 PolarHBondContact O-N 3.27Å; I23-L27 HydrophobicContact CG2-CD1 4.38Å; I23-L27 PolarHBondContact O-N 3.04Å
24S85.5Confident77.9Confident7 Ų758.9 Ų58.95%0.04930%0.297CS..Hα-helixtrans-60.6-31.6-180-59.40000113.1Y20 A21 L22 R26 Y271Y20-S24 WeakPolarHBondContact O-CB 3.48Å; Y20-S24 PolarHBondContact O-N 3.32Å; Y20-S24 PolarHBondContact O-OG 2.93Å; A21-S24 WeakPolarHBondContact O-CB 3.47Å; A21-S24 PolarHBondContact O-N 2.87Å; L22-S24 VanDerWaalsContact C-N 3.33Å; S24-R26 VanDerWaalsContact C-N 3.27Å; S24-R26 PolarHBondContact O-N 2.9Å; S24-Y271 WeakPolarHBondContact OG-CE2 3.37Å
25L83.8Confident76Confident52 Ų5262.1 Ų62.127%0.27232%0.319SS..Hα-helixtrans-65.7-26.5174.9-102.3139.2000114.1A21 L22 I23 R53 Y57 I60A21-L25 PolarHBondContact O-N 3.41Å; A21-L25 VanDerWaalsContact O-N 3.09Å; L22-L25 PolarHBondContact O-N 2.79Å; I23-L25 PolarHBondContact O-N 3.44Å; L25-R53 HydrophobicContact CD2-CG 4.23Å; L25-Y57 HydrophobicContact CD2-CE1 4.06Å; L25-I60 HydrophobicContact CD1-CD1 3.21Å
26R79.7Confident74Confident228 Ų22864.8 Ų64.886%0.8633%0.33SS*.THydrogen-bonded Turntrans-112.24.6-178.3-67-173.5179.8179.60113.2I23 S24 P28I23-R26 CarbonylContact O-C 3.54Å; I23-R26 PolarHBondContact O-N 3.27Å; S24-R26 VanDerWaalsContact C-N 3.27Å; S24-R26 PolarHBondContact O-N 2.9Å; R26-P28 VanDerWaalsContact O-CD 3.27Å; R26-P28 WeakPolarHBondContact O-CD 3.26Å
27L75.1Confident72.3Confident61 Ų6161.8 Ų61.832%0.31931%0.314SS..PPolyproline II helixtrans-73117.1-173.9-164.867.1000109.5I23 L29 F267I23-L27 HydrophobicContact CG2-CD1 4.38Å; I23-L27 PolarHBondContact O-N 3.04Å; L27-L29 PolarHBondContact O-N 3.27Å; L27-F267 HydrophobicContact CD2-CE2 3.57Å; L27-F267 HydrophobicContact CD2-CZ 3.64Å; L27-F267 HydrophobicContact CG-CE2 4.23Å; L27-F267 HydrophobicContact CG-CZ 4.44Å
28P71.3Confident70.4Confident106 Ų10664.5 Ų64.569%0.68833%0.333SS*.PPolyproline II helixtrans-67129171.727.6-31.7000108.6R26R26-P28 VanDerWaalsContact O-CD 3.27Å; R26-P28 WeakPolarHBondContact O-CD 3.26Å
29L66.6Low68.6Low23 Ų2366.2 Ų66.212%0.1236%0.359CS..PPolyproline II helixtrans-63.9140.9170.9-76.7165.2000108.7L27 T31 T45 I48 Q49 I52 F267L27-L29 PolarHBondContact O-N 3.27Å; L29-T31 PolarHBondContact O-N 3.46Å; L29-T45 HydrophobicContact CD1-CG2 4.21Å; L29-T45 WeakPolarHBondContact CD1-O 3.32Å; L29-I48 HydrophobicContact CD1-CB 4.43Å; L29-I48 HydrophobicContact CD1-CG2 4.13Å; L29-I48 HydrophobicContact CD2-CG2 3.71Å; L29-Q49 HydrophobicContact CD1-CB 4.04Å; L29-I52 HydrophobicContact CD2-CD1 4.46Å; L29-F267 HydrophobicContact CD2-CD1 4.24Å; L29-F267 HydrophobicContact CD2-CE1 3.55Å; L29-F267 HydrophobicContact CD2-CZ 3.87Å
30P63.7Low67Low38 Ų3864.4 Ų64.425%0.24735%0.349CS..SBendtrans-76.266.5177.133.3-34.6000109.8I263 M264 F267P30-I263 HydrophobicContact CB-CG2 3.75Å; P30-I263 HydrophobicContact CG-CG2 3.92Å; P30-M264 HydrophobicContact CG-SD 4.4Å; P30-F267 HydrophobicContact CG-CB 3.79Å; P30-F267 HydrophobicContact CG-CD2 3.82Å; P30-F267 HydrophobicContact CG-CG 3.83Å
31T55.4Low65.6Low38 Ų3867.5 Ų67.523%0.23337%0.365CS..  trans-102.787.2161.7520000106.3L29 F33 T45L29-T31 PolarHBondContact O-N 3.46Å; T31-F33 PolarHBondContact O-N 3.11Å; T31-T45 HydrophobicContact CG2-CG2 3.38Å
32Q52.8Low64.6Low142 Ų14267.8 Ų67.866%0.66437%0.366SS*.SBendtrans-65.6-23-179.7-81.2-177.6-41.700111.5
33F51.9Low63.7Low61 Ų6167 Ų6727%0.26836%0.362SS..SBendtrans-138.122.8-169-73.7-81.9000117.8T31 P35 Y159 Y167T31-F33 PolarHBondContact O-N 3.11Å; F33-P35 WeakPolarHBondContact O-CD 3.33Å; F33-Y159 VanDerWaalsContact O-CE2 3.29Å; F33-Y159 WeakPolarHBondContact O-CE2 3.49Å; F33-Y159 PolarHBondContact O-OH 3.48Å; F33-Y167 HydrophobicContact CB-CE2 4.4Å
34L51.7Low62.9Low21 Ų2162.5 Ų62.511%0.1134%0.338CS..  trans-108.874.7154.8-80.896.2000109.5F42 H135L34-F42 HydrophobicContact CD2-CB 3.71Å; L34-F42 HydrophobicContact CD2-CD1 4.33Å; L34-F42 HydrophobicContact CD2-CD2 3.73Å; L34-F42 HydrophobicContact CD2-CE2 4.47Å; L34-F42 HydrophobicContact CD2-CG 3.68Å; L34-H135 WeakPolarHBondContact CD2-CD2 3.41Å; L34-H135 VanDerWaalsContact CD2-NE2 3.26Å; L34-H135 WeakPolarHBondContact CD2-NE2 3.15Å
35P50.3Low62.4Low69 Ų6962.9 Ų62.945%0.44834%0.34SS..  trans-60.7149.3168.925.3-25.5000108.8F33 L37 Y159F33-P35 WeakPolarHBondContact O-CD 3.33Å; P35-L37 HydrophobicContact CG-CD1 3.81Å; P35-L37 PolarHBondContact O-N 3.27Å; P35-Y159 HydrophobicContact CG-CD2 3.83Å; P35-Y159 HydrophobicContact CG-CE2 3.68Å
36N48.4Very low62.1Low93 Ų9366.8 Ų66.850%0.49736%0.355SS..  trans-62.778.1170.5-102.5-20.1000110.2S38 E41N36-S38 PolarHBondContact O-N 2.86Å; N36-S38 VanDerWaalsContact O-N 3.12Å; N36-E41 VanDerWaalsContact CG-CG 3.46Å; N36-E41 VanDerWaalsContact ND2-CG 3.31Å; N36-E41 WeakPolarHBondContact ND2-CG 3.33Å; N36-E41 PolarHBondContact ND2-OE1 3.45Å; N36-E41 VanDerWaalsContact OD1-CA 3.31Å; N36-E41 WeakPolarHBondContact OD1-CA 3.47Å; N36-E41 WeakPolarHBondContact OD1-CG 3.38Å; N36-E41 PolarHBondContact OD1-N 3Å
37L54.3Low62.1Low17 Ų1757.2 Ų57.29%0.08932%0.323CS..  trans-67.8111.4167.1-86108.1000107.1P35 G39 E40 I155 Y156 Y159P35-L37 HydrophobicContact CG-CD1 3.81Å; P35-L37 PolarHBondContact O-N 3.27Å; L37-G39 VanDerWaalsContact C-N 3.27Å; L37-G39 PolarHBondContact O-N 3.02Å; L37-E40 PolarHBondContact O-N 3.29Å; L37-I155 HydrophobicContact CD2-CG2 4.05Å; L37-Y156 HydrophobicContact CB-CE1 4.05Å; L37-Y156 HydrophobicContact CD2-CD1 3.3Å; L37-Y156 HydrophobicContact CD2-CE1 3.53Å; L37-Y156 HydrophobicContact CD2-CG 3.97Å; L37-Y156 HydrophobicContact CG-CE1 4.4Å; L37-Y159 HydrophobicContact CD1-CD1 3.56Å; L37-Y159 HydrophobicContact CD1-CD2 3.56Å; L37-Y159 HydrophobicContact CD1-CE1 3.77Å; L37-Y159 HydrophobicContact CD1-CE2 3.82Å; L37-Y159 HydrophobicContact CD1-CG 3.41Å; L37-Y159 VanDerWaalsContact CD1-CG 3.41Å; L37-Y159 HydrophobicContact CD2-CD1 4.3Å; L37-Y159 HydrophobicContact CD2-CG 4.21Å; L37-Y159 HydrophobicContact CG-CG 4.46Å
38S50.2Low62.5Low58 Ų5854.3 Ų54.341%0.40631%0.308SS..THydrogen-bonded Turntrans47.145.5162.860.20000114.7N36 K142 Y156N36-S38 PolarHBondContact O-N 2.86Å; N36-S38 VanDerWaalsContact O-N 3.12Å; S38-K142 PolarHBondContact O-NZ 2.69Å; S38-K142 VanDerWaalsContact O-NZ 3.12Å; S38-Y156 PolarHBondContact OG-OH 3.32Å
39G53.8Low63Low72 Ų7253.9 Ų53.974%0.74230%0.297SS*.THydrogen-bonded Turntrans85.17.3169.600000116.9L37L37-G39 VanDerWaalsContact C-N 3.27Å; L37-G39 PolarHBondContact O-N 3.02Å
40E57Low63.9Low51 Ų5159.3 Ų59.324%0.23832%0.319CS..  trans-99.990170.8-72.8-111.9157.100111.4L37 K138 K142L37-E40 PolarHBondContact O-N 3.29Å; E40-K138 VanDerWaalsContact OE2-CD 3.23Å; E40-K138 WeakPolarHBondContact OE2-CD 3.26Å; E40-K142 HydrophobicContact CG-CD 4.42Å
41E60.7Low65Low94 Ų9459 Ų5944%0.43932%0.315SS..  trans-67.6140.8165.7-81.1-179.5171.700110.7N36 I43N36-E41 VanDerWaalsContact CG-CG 3.46Å; N36-E41 VanDerWaalsContact ND2-CG 3.31Å; N36-E41 WeakPolarHBondContact ND2-CG 3.33Å; N36-E41 PolarHBondContact ND2-OE1 3.45Å; N36-E41 VanDerWaalsContact OD1-CA 3.31Å; N36-E41 WeakPolarHBondContact OD1-CA 3.47Å; N36-E41 WeakPolarHBondContact OD1-CG 3.38Å; N36-E41 PolarHBondContact OD1-N 3Å; E41-I43 PolarHBondContact O-N 3.25Å
42F68Low66.4Low6 Ų657.7 Ų57.73%0.02631%0.307CS..  trans-63.2127.4175.6-172.3-129.4000110.9L34 I44 T45 K46 F128 L131 I132 H135L34-F42 HydrophobicContact CD2-CB 3.71Å; L34-F42 HydrophobicContact CD2-CD1 4.33Å; L34-F42 HydrophobicContact CD2-CD2 3.73Å; L34-F42 HydrophobicContact CD2-CE2 4.47Å; L34-F42 HydrophobicContact CD2-CG 3.68Å; F42-I44 HydrophobicContact CD1-CB 3.78Å; F42-I44 HydrophobicContact CD1-CG1 4.45Å; F42-I44 HydrophobicContact CE1-CB 3.48Å; F42-I44 VanDerWaalsContact CE1-CB 3.48Å; F42-I44 HydrophobicContact CE1-CD1 3.73Å; F42-I44 HydrophobicContact CE1-CG1 3.76Å; F42-I44 HydrophobicContact CE1-CG2 4.33Å; F42-I44 HydrophobicContact CZ-CB 4.18Å; F42-I44 HydrophobicContact CZ-CD1 3.78Å; F42-I44 HydrophobicContact CZ-CG1 3.96Å; F42-I44 PolarHBondContact O-N 3.04Å; F42-I44 VanDerWaalsContact O-N 3.14Å; F42-T45 HydrophobicContact CB-CG2 4.3Å; F42-T45 HydrophobicContact CD1-CG2 4.22Å; F42-T45 PolarHBondContact O-N 2.94Å; F42-T45 PolarHBondContact O-OG1 3.31Å; F42-K46 PolarHBondContact O-N 3.47Å; F42-F128 HydrophobicContact CE1-CD2 4.3Å; F42-F128 AromaticContact CE1-CE2 3.81Å; F42-F128 HydrophobicContact CE1-CE2 3.81Å; F42-F128 HydrophobicContact CE1-CZ 4.47Å; F42-F128 HydrophobicContact CZ-CE2 4.42Å; F42-L131 HydrophobicContact CE2-CB 4.45Å; F42-L131 WeakPolarHBondContact CE2-O 3.25Å; F42-L131 HydrophobicContact CZ-CB 4.22Å; F42-I132 HydrophobicContact CE1-CG1 4.18Å; F42-I132 HydrophobicContact CE2-CG1 3.93Å; F42-I132 HydrophobicContact CZ-CB 4.29Å; F42-I132 HydrophobicContact CZ-CG1 3.41Å; F42-I132 VanDerWaalsContact CZ-CG1 3.41Å; F42-H135 HydrophobicContact CD2-CB 3.54Å; F42-H135 AromaticContact CD2-CG 3.55Å; F42-H135 AromaticContact CD2-ND1 3.92Å; F42-H135 HydrophobicContact CE2-CB 3.57Å
43I70.9Confident68.1Low75 Ų7557.3 Ų57.339%0.38530%0.299SS..Hα-helixtrans-55.1-40.8-171.5-63173000111.6E41 K46 S47 L131E41-I43 PolarHBondContact O-N 3.25Å; I43-K46 PolarHBondContact O-N 2.84Å; I43-S47 PolarHBondContact O-N 2.97Å; I43-S47 PolarHBondContact O-OG 3.26Å; I43-L131 HydrophobicContact CD1-CD2 4.49Å; I43-L131 HydrophobicContact CG2-CD2 4.43Å
44I70.1Confident69.7Low1 Ų158.6 Ų58.61%0.00531%0.309CS..Hα-helixtrans-65.1-41.3178.3-64.3-176.1000111.9F42 K46 S47 I48 F128 L131 M264F42-I44 HydrophobicContact CD1-CB 3.78Å; F42-I44 HydrophobicContact CD1-CG1 4.45Å; F42-I44 HydrophobicContact CE1-CB 3.48Å; F42-I44 VanDerWaalsContact CE1-CB 3.48Å; F42-I44 HydrophobicContact CE1-CD1 3.73Å; F42-I44 HydrophobicContact CE1-CG1 3.76Å; F42-I44 HydrophobicContact CE1-CG2 4.33Å; F42-I44 HydrophobicContact CZ-CB 4.18Å; F42-I44 HydrophobicContact CZ-CD1 3.78Å; F42-I44 HydrophobicContact CZ-CG1 3.96Å; F42-I44 PolarHBondContact O-N 3.04Å; F42-I44 VanDerWaalsContact O-N 3.14Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 2.92Å; I44-S47 WeakPolarHBondContact CA-OG 3.24Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 PolarHBondContact O-OG 2.79Å; I44-I48 HydrophobicContact CG2-CD1 3.42Å; I44-I48 VanDerWaalsContact CG2-CD1 3.42Å; I44-I48 HydrophobicContact CG2-CG1 4Å; I44-I48 VanDerWaalsContact O-CB 3.31Å; I44-I48 WeakPolarHBondContact O-CB 3.39Å; I44-I48 WeakPolarHBondContact O-CG1 3.39Å; I44-I48 PolarHBondContact O-N 2.88Å; I44-F128 HydrophobicContact CD1-CB 4.13Å; I44-F128 HydrophobicContact CD1-CD2 3.48Å; I44-F128 VanDerWaalsContact CD1-CD2 3.48Å; I44-F128 HydrophobicContact CD1-CE2 4.26Å; I44-F128 HydrophobicContact CD1-CG 4.13Å; I44-L131 HydrophobicContact CD1-CB 3.73Å; I44-L131 HydrophobicContact CD1-CD1 3.65Å; I44-L131 HydrophobicContact CD1-CG 4.29Å; I44-L131 HydrophobicContact CG1-CB 3.88Å; I44-L131 HydrophobicContact CG1-CD1 3.33Å; I44-L131 HydrophobicContact CG1-CG 4.21Å; I44-M264 HydrophobicContact CG2-CE 4.32Å
45T73.9Confident71.4Confident15 Ų1557.9 Ų57.99%0.09231%0.305CS..Hα-helixtrans-61.8-40.6177.951.80000111L29 T31 F42 Q49L29-T45 HydrophobicContact CD1-CG2 4.21Å; L29-T45 WeakPolarHBondContact CD1-O 3.32Å; T31-T45 HydrophobicContact CG2-CG2 3.38Å; F42-T45 HydrophobicContact CB-CG2 4.3Å; F42-T45 HydrophobicContact CD1-CG2 4.22Å; F42-T45 PolarHBondContact O-N 2.94Å; F42-T45 PolarHBondContact O-OG1 3.31Å; T45-Q49 WeakPolarHBondContact O-CB 3.37Å; T45-Q49 PolarHBondContact O-N 3.21Å
46K77.6Confident73.2Confident134 Ų13454.6 Ų54.658%0.58328%0.283SS*.Hα-helixtrans-66.6-41.9177.3-171.7174-177172.20112.3F42 I43 I44 K50F42-K46 PolarHBondContact O-N 3.47Å; I43-K46 PolarHBondContact O-N 2.84Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 2.92Å; K46-K50 WeakPolarHBondContact O-CB 3.49Å; K46-K50 PolarHBondContact O-N 3.06Å
47S81Confident75.1Confident26 Ų2654.2 Ų54.218%0.18228%0.276CS..Hα-helixtrans-68.6-48.1179.562.70000111.5I43 I44 Q49 K50 I51 E124I43-S47 PolarHBondContact O-N 2.97Å; I43-S47 PolarHBondContact O-OG 3.26Å; I44-S47 WeakPolarHBondContact CA-OG 3.24Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 PolarHBondContact O-OG 2.79Å; S47-Q49 PolarHBondContact O-N 3.36Å; S47-K50 WeakPolarHBondContact O-CB 3.32Å; S47-K50 PolarHBondContact O-N 3.48Å; S47-I51 VanDerWaalsContact O-CG1 3.28Å; S47-I51 WeakPolarHBondContact O-CG1 3.5Å; S47-I51 PolarHBondContact O-N 3.26Å; S47-E124 WeakPolarHBondContact CB-OE1 3.22Å; S47-E124 WeakPolarHBondContact CB-OE2 3.27Å; S47-E124 VanDerWaalsContact OG-CD 3.31Å; S47-E124 PolarHBondContact OG-OE1 3.04Å; S47-E124 PolarHBondContact OG-OE2 2.78Å
48I82.2Confident76.7Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-60-47.6175.7-70.6178.4000110.8L29 I44 K50 I51 I52 L121 E124 I125 M264L29-I48 HydrophobicContact CD1-CB 4.43Å; L29-I48 HydrophobicContact CD1-CG2 4.13Å; L29-I48 HydrophobicContact CD2-CG2 3.71Å; I44-I48 HydrophobicContact CG2-CD1 3.42Å; I44-I48 VanDerWaalsContact CG2-CD1 3.42Å; I44-I48 HydrophobicContact CG2-CG1 4Å; I44-I48 VanDerWaalsContact O-CB 3.31Å; I44-I48 WeakPolarHBondContact O-CB 3.39Å; I44-I48 WeakPolarHBondContact O-CG1 3.39Å; I44-I48 PolarHBondContact O-N 2.88Å; I48-K50 VanDerWaalsContact C-N 3.3Å; I48-K50 PolarHBondContact O-N 3.04Å; I48-I51 PolarHBondContact O-N 3.48Å; I48-I52 HydrophobicContact CG2-CD1 3.65Å; I48-I52 HydrophobicContact CG2-CG1 4.34Å; I48-I52 WeakPolarHBondContact O-CB 3.45Å; I48-I52 WeakPolarHBondContact O-CG1 3.17Å; I48-I52 PolarHBondContact O-N 2.9Å; I48-L121 HydrophobicContact CB-CD2 4.27Å; I48-L121 HydrophobicContact CG1-CD2 4.08Å; I48-L121 HydrophobicContact CG2-CD2 3.87Å; I48-E124 PolarHBondContact N-OE2 3.27Å; I48-I125 HydrophobicContact CD1-CG1 4.13Å; I48-M264 HydrophobicContact CD1-CE 3.35Å
49Q83.2Confident78.4Confident97 Ų9753.8 Ų53.845%0.45327%0.268SS..Hα-helixtrans-65.1-36.1179.7-166.1167.65.300111.5L29 T45 S47 R53L29-Q49 HydrophobicContact CD1-CB 4.04Å; T45-Q49 WeakPolarHBondContact O-CB 3.37Å; T45-Q49 PolarHBondContact O-N 3.21Å; S47-Q49 PolarHBondContact O-N 3.36Å; Q49-R53 WeakPolarHBondContact O-CB 3.4Å; Q49-R53 PolarHBondContact O-N 3.24Å
50K85.3Confident80.1Confident138 Ų13851.6 Ų51.660%0.624%0.239SC*.Hα-helixtrans-64.9-42.9173-176.8-178.6-179.9-175.10111.9K46 S47 I48 R53 N54K46-K50 WeakPolarHBondContact O-CB 3.49Å; K46-K50 PolarHBondContact O-N 3.06Å; S47-K50 WeakPolarHBondContact O-CB 3.32Å; S47-K50 PolarHBondContact O-N 3.48Å; I48-K50 VanDerWaalsContact C-N 3.3Å; I48-K50 PolarHBondContact O-N 3.04Å; K50-R53 PolarHBondContact O-N 2.86Å; K50-N54 WeakPolarHBondContact O-CB 3.14Å; K50-N54 PolarHBondContact O-N 3.14Å
51I85.6Confident81.5Confident31 Ų3157.1 Ų57.116%0.15926%0.259CS..Hα-helixtrans-64-49177.8-70.7161.9000110.6S47 I48 R53 N54 K55 T117 I120 L121 E124S47-I51 VanDerWaalsContact O-CG1 3.28Å; S47-I51 WeakPolarHBondContact O-CG1 3.5Å; S47-I51 PolarHBondContact O-N 3.26Å; I48-I51 PolarHBondContact O-N 3.48Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 3.26Å; I51-N54 PolarHBondContact O-N 2.96Å; I51-K55 WeakPolarHBondContact O-CB 3.22Å; I51-K55 PolarHBondContact O-N 3.49Å; I51-T117 HydrophobicContact CG2-CG2 3.49Å; I51-T117 VanDerWaalsContact CG2-CG2 3.49Å; I51-I120 HydrophobicContact CD1-CG2 3.76Å; I51-L121 HydrophobicContact CB-CD2 4.32Å; I51-L121 HydrophobicContact CG2-CD2 3.96Å; I51-L121 HydrophobicContact CG2-CG 4.19Å; I51-E124 VanDerWaalsContact CD1-CD 3.45Å; I51-E124 HydrophobicContact CD1-CG 4.19Å; I51-E124 WeakPolarHBondContact CD1-OE1 3.4Å
52I86.2Confident82.8Confident11 Ų1152.7 Ų52.76%0.05624%0.238CC..Hα-helixtrans-61.2-41.1177.1-68.4172000110.7L29 I48 K55 S56 L121 F267 Y271L29-I52 HydrophobicContact CD2-CD1 4.46Å; I48-I52 HydrophobicContact CG2-CD1 3.65Å; I48-I52 HydrophobicContact CG2-CG1 4.34Å; I48-I52 WeakPolarHBondContact O-CB 3.45Å; I48-I52 WeakPolarHBondContact O-CG1 3.17Å; I48-I52 PolarHBondContact O-N 2.9Å; I52-K55 PolarHBondContact O-N 2.78Å; I52-S56 WeakPolarHBondContact O-CB 3.34Å; I52-S56 PolarHBondContact O-N 2.57Å; I52-S56 PolarHBondContact O-OG 3.34Å; I52-L121 HydrophobicContact CG1-CD1 4.42Å; I52-L121 HydrophobicContact CG1-CD2 4.44Å; I52-F267 HydrophobicContact CD1-CE1 4.21Å; I52-Y271 HydrophobicContact CG1-CE1 4.21Å; I52-Y271 HydrophobicContact CG2-CE2 4.32Å
53R87.1Confident83.8Confident133 Ų13352.4 Ų52.450%0.50224%0.237SC..Hα-helixtrans-66.6-42.9178.2-172.6171-178.2-179-1.7112.3L25 Q49 K50 I51 S56 Y57L25-R53 HydrophobicContact CD2-CG 4.23Å; Q49-R53 WeakPolarHBondContact O-CB 3.4Å; Q49-R53 PolarHBondContact O-N 3.24Å; K50-R53 PolarHBondContact O-N 2.86Å; I51-R53 VanDerWaalsContact C-N 3.31Å; I51-R53 PolarHBondContact O-N 3.26Å; R53-S56 VanDerWaalsContact CA-OG 3.28Å; R53-S56 WeakPolarHBondContact CA-OG 3.41Å; R53-S56 PolarHBondContact O-N 3.47Å; R53-S56 PolarHBondContact O-OG 2.86Å; R53-Y57 HydrophobicContact CG-CD2 3.89Å; R53-Y57 HydrophobicContact CG-CE2 3.37Å; R53-Y57 PolarHBondContact NE-OH 3.41Å; R53-Y57 PolarHBondContact NH2-OH 3.33Å; R53-Y57 WeakPolarHBondContact O-CD2 3.33Å; R53-Y57 PolarHBondContact O-N 2.97Å
54N87.1Confident84.5Confident89 Ų8953.5 Ų53.548%0.47624%0.243SC..Hα-helixtrans-63.8-45.3175.6-78.5-3.6000111.7K50 I51 Y57 I58K50-N54 WeakPolarHBondContact O-CB 3.14Å; K50-N54 PolarHBondContact O-N 3.14Å; I51-N54 PolarHBondContact O-N 2.96Å; N54-Y57 PolarHBondContact O-N 2.97Å; N54-I58 WeakPolarHBondContact O-CG1 3.32Å; N54-I58 PolarHBondContact O-N 3.43Å; N54-I58 VanDerWaalsContact O-N 3.15Å
55K87.3Confident85.2Confident5 Ų556.9 Ų56.92%0.02226%0.26CS..Hα-helixtrans-59.6-48.8175173.2178164-178.10111.5I51 I52 Y57 I58 E59 S114 T117I51-K55 WeakPolarHBondContact O-CB 3.22Å; I51-K55 PolarHBondContact O-N 3.49Å; I52-K55 PolarHBondContact O-N 2.78Å; K55-Y57 VanDerWaalsContact C-N 3.32Å; K55-Y57 PolarHBondContact O-N 2.95Å; K55-I58 WeakPolarHBondContact O-CB 3.23Å; K55-I58 PolarHBondContact O-N 2.82Å; K55-I58 VanDerWaalsContact O-N 3.17Å; K55-E59 WeakPolarHBondContact CE-OE1 3.48Å; K55-E59 HydrophobicContact CG-CG 4.35Å; K55-E59 IonicContact NZ-OE1 2.68Å; K55-E59 WeakPolarHBondContact O-CG 3.18Å; K55-E59 PolarHBondContact O-N 2.87Å; K55-S114 PolarHBondContact NZ-OG 2.89Å; K55-T117 HydrophobicContact CB-CG2 4.19Å; K55-T117 HydrophobicContact CD-CG2 3.61Å; K55-T117 HydrophobicContact CG-CG2 4.45Å
56S87.3Confident85.8Confident0 Ų056.1 Ų56.10%026%0.256CS..Hα-helixtrans-64.2-34.3-179510000112.7I52 R53 E59 I60I52-S56 WeakPolarHBondContact O-CB 3.34Å; I52-S56 PolarHBondContact O-N 2.57Å; I52-S56 PolarHBondContact O-OG 3.34Å; R53-S56 VanDerWaalsContact CA-OG 3.28Å; R53-S56 WeakPolarHBondContact CA-OG 3.41Å; R53-S56 PolarHBondContact O-N 3.47Å; R53-S56 PolarHBondContact O-OG 2.86Å; S56-E59 PolarHBondContact O-N 3.28Å; S56-I60 WeakPolarHBondContact O-CB 3.22Å; S56-I60 WeakPolarHBondContact O-CD1 3.41Å; S56-I60 WeakPolarHBondContact O-CG1 3.47Å; S56-I60 PolarHBondContact O-N 2.94Å
57Y89.2Confident86.3Confident85 Ų8551 Ų5133%0.33324%0.235SC..Hα-helixtrans-63.4-45.6171.1-75.1-50.2000112.5L25 R53 N54 K55 E59 I60 Y61L25-Y57 HydrophobicContact CD2-CE1 4.06Å; R53-Y57 HydrophobicContact CG-CD2 3.89Å; R53-Y57 HydrophobicContact CG-CE2 3.37Å; R53-Y57 PolarHBondContact NE-OH 3.41Å; R53-Y57 PolarHBondContact NH2-OH 3.33Å; R53-Y57 WeakPolarHBondContact O-CD2 3.33Å; R53-Y57 PolarHBondContact O-N 2.97Å; N54-Y57 PolarHBondContact O-N 2.97Å; K55-Y57 VanDerWaalsContact C-N 3.32Å; K55-Y57 PolarHBondContact O-N 2.95Å; Y57-E59 VanDerWaalsContact C-N 3.31Å; Y57-E59 PolarHBondContact O-N 3.37Å; Y57-I60 PolarHBondContact O-N 3.3Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.46Å; Y57-Y61 PolarHBondContact O-N 2.85Å
58I86.7Confident86.4Confident64 Ų6456.6 Ų56.633%0.32826%0.256SS..Hα-helixtrans-58.9-45.7175.9-66.7167.8000110.2N54 K55 I60 Y61 D62 F109 T110N54-I58 WeakPolarHBondContact O-CG1 3.32Å; N54-I58 PolarHBondContact O-N 3.43Å; N54-I58 VanDerWaalsContact O-N 3.15Å; K55-I58 WeakPolarHBondContact O-CB 3.23Å; K55-I58 PolarHBondContact O-N 2.82Å; K55-I58 VanDerWaalsContact O-N 3.17Å; I58-I60 PolarHBondContact O-N 3.17Å; I58-Y61 PolarHBondContact O-N 3.09Å; I58-D62 WeakPolarHBondContact O-CB 3.45Å; I58-D62 PolarHBondContact O-N 3.32Å; I58-F109 HydrophobicContact CG2-CD1 4.43Å; I58-F109 HydrophobicContact CG2-CE1 3.87Å; I58-T110 HydrophobicContact CG2-CG2 4.27Å
59E87Confident86.6Confident3 Ų357.4 Ų57.41%0.01426%0.259CS..Hα-helixtrans-64.5-37.2178.2-72.4-180160.700112.6A21 K55 S56 Y57 C63 H279A21-E59 HydrophobicContact CB-CB 3.94Å; K55-E59 WeakPolarHBondContact CE-OE1 3.48Å; K55-E59 HydrophobicContact CG-CG 4.35Å; K55-E59 IonicContact NZ-OE1 2.68Å; K55-E59 WeakPolarHBondContact O-CG 3.18Å; K55-E59 PolarHBondContact O-N 2.87Å; S56-E59 PolarHBondContact O-N 3.28Å; Y57-E59 VanDerWaalsContact C-N 3.31Å; Y57-E59 PolarHBondContact O-N 3.37Å; E59-C63 WeakPolarHBondContact O-CB 3.32Å; E59-C63 PolarHBondContact O-N 2.86Å; E59-C63 PolarHBondContact O-SG 3.33Å; E59-H279 IonicContact OE1-CD2 3.28Å; E59-H279 IonicContact OE1-CE1 3.79Å; E59-H279 IonicContact OE1-NE2 3.85Å; E59-H279 PolarHBondContact OE1-NE2 2.95Å
60I88.7Confident86.7Confident26 Ų2652.9 Ų52.913%0.13324%0.238CC..Hα-helixtrans-66.5-48.6176.8-74.2165.7000111.1L18 A21 L22 L25 S56 Y57 I58 D62 C63 I64L18-I60 HydrophobicContact CD1-CB 4.37Å; L18-I60 HydrophobicContact CD1-CG1 4.01Å; L18-I60 HydrophobicContact CD1-CG2 4.28Å; A21-I60 HydrophobicContact CB-CG1 3.92Å; L22-I60 HydrophobicContact CD2-CD1 4Å; L25-I60 HydrophobicContact CD1-CD1 3.21Å; S56-I60 WeakPolarHBondContact O-CB 3.22Å; S56-I60 WeakPolarHBondContact O-CD1 3.41Å; S56-I60 WeakPolarHBondContact O-CG1 3.47Å; S56-I60 PolarHBondContact O-N 2.94Å; Y57-I60 PolarHBondContact O-N 3.3Å; I58-I60 PolarHBondContact O-N 3.17Å; I60-D62 VanDerWaalsContact C-N 3.33Å; I60-D62 PolarHBondContact O-N 3.06Å; I60-C63 PolarHBondContact O-N 3.26Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.39Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.41Å; I60-I64 PolarHBondContact O-N 3.26Å
61Y86.8Confident86.6Confident167 Ų16750.2 Ų50.266%0.65523%0.23SC*.Hα-helixtrans-60.7-45.2178.8-77.8-64.3000111.5Y57 I58 I64 L65Y57-Y61 WeakPolarHBondContact O-CD2 3.46Å; Y57-Y61 PolarHBondContact O-N 2.85Å; I58-Y61 PolarHBondContact O-N 3.09Å; Y61-I64 PolarHBondContact O-N 2.77Å; Y61-L65 WeakPolarHBondContact O-CB 3.49Å; Y61-L65 PolarHBondContact O-N 3.08Å; Y61-L65 VanDerWaalsContact O-N 3.1Å
62D87.1Confident86.4Confident0 Ų050.6 Ų50.60%023%0.232CC..Hα-helixtrans-60.8-45.8174.4168.951.9000112I58 I60 I64 L65 C66 F106 T110 R282I58-D62 WeakPolarHBondContact O-CB 3.45Å; I58-D62 PolarHBondContact O-N 3.32Å; I60-D62 VanDerWaalsContact C-N 3.33Å; I60-D62 PolarHBondContact O-N 3.06Å; D62-I64 PolarHBondContact O-N 3.04Å; D62-L65 PolarHBondContact O-N 2.88Å; D62-C66 VanDerWaalsContact O-CB 3.27Å; D62-C66 WeakPolarHBondContact O-CB 3.21Å; D62-C66 PolarHBondContact O-N 2.7Å; D62-C66 PolarHBondContact O-SG 3.49Å; D62-C66 VanDerWaalsContact O-SG 3.35Å; D62-C66 PolarHBondContact OD1-SG 3.47Å; D62-F106 HydrophobicContact CB-CD1 4.29Å; D62-F106 WeakPolarHBondContact OD1-CB 3.32Å; D62-T110 HydrophobicContact CB-CG2 3.72Å; D62-T110 VanDerWaalsContact OD2-CG2 3.3Å; D62-T110 WeakPolarHBondContact OD2-CG2 3.43Å; D62-R282 IonicContact OD1-NH1 2.88Å; D62-R282 IonicContact OD1-NH2 3.64Å; D62-R282 IonicContact OD2-CZ 2.85Å; D62-R282 IonicContact OD2-NH1 3.56Å; D62-R282 PolarHBondContact OD2-NH1 3.04Å; D62-R282 IonicContact OD2-NH2 3.53Å; D62-R282 PolarHBondContact OD2-NH2 3.45Å
63C88.6Confident86.1Confident0 Ų050.1 Ų50.10%023%0.23CC..Hα-helixtrans-64.5-39.5179.2-74.10000112.6I17 L18 E59 I60 C66 L67I17-C63 VanDerWaalsContact CG2-SG 3.53Å; L18-C63 HydrophobicContact CB-CB 3.92Å; L18-C63 HydrophobicContact CD1-CB 3.86Å; L18-C63 HydrophobicContact CG-CB 4.41Å; E59-C63 WeakPolarHBondContact O-CB 3.32Å; E59-C63 PolarHBondContact O-N 2.86Å; E59-C63 PolarHBondContact O-SG 3.33Å; I60-C63 PolarHBondContact O-N 3.26Å; C63-C66 PolarHBondContact O-N 3.3Å; C63-L67 WeakPolarHBondContact O-CB 3.48Å; C63-L67 WeakPolarHBondContact O-CD1 3.45Å; C63-L67 WeakPolarHBondContact O-CG 3.48Å; C63-L67 PolarHBondContact O-N 3.46Å
64I87Confident85.9Confident98 Ų9847.5 Ų47.550%0.50322%0.22SC..Hα-helixtrans-62.5-46.2176.1-69.6166.3000110.2I60 Y61 D62 L67 F68I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.39Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.41Å; I60-I64 PolarHBondContact O-N 3.26Å; Y61-I64 PolarHBondContact O-N 2.77Å; D62-I64 PolarHBondContact O-N 3.04Å; I64-L67 PolarHBondContact O-N 3.1Å; I64-F68 WeakPolarHBondContact O-CB 3.37Å; I64-F68 PolarHBondContact O-N 2.82Å
65L85.2Confident85.3Confident72 Ų7247.3 Ų47.338%0.37722%0.218SC..Hα-helixtrans-63.6-46.4179-163.281.8000111.6Y61 D62 F68 Y69 V102 F106Y61-L65 WeakPolarHBondContact O-CB 3.49Å; Y61-L65 PolarHBondContact O-N 3.08Å; Y61-L65 VanDerWaalsContact O-N 3.1Å; D62-L65 PolarHBondContact O-N 2.88Å; L65-F68 PolarHBondContact O-N 3.33Å; L65-Y69 PolarHBondContact O-N 2.87Å; L65-V102 HydrophobicContact CD2-CG1 3.42Å; L65-V102 VanDerWaalsContact CD2-CG1 3.42Å; L65-V102 HydrophobicContact CG-CG1 4.47Å; L65-F106 HydrophobicContact CD2-CD2 4.28Å; L65-F106 HydrophobicContact CD2-CE2 4.35Å; L65-F106 HydrophobicContact CD2-CG 4.4Å
66C86.4Confident84.6Confident0 Ų047.4 Ų47.40%022%0.219CC..Hα-helixtrans-64.1-44.1177.3-77.10000111.8T14 D62 C63 F68 Y69 W70T14-C66 HydrophobicContact CG2-CB 3.91Å; D62-C66 VanDerWaalsContact O-CB 3.27Å; D62-C66 WeakPolarHBondContact O-CB 3.21Å; D62-C66 PolarHBondContact O-N 2.7Å; D62-C66 PolarHBondContact O-SG 3.49Å; D62-C66 VanDerWaalsContact O-SG 3.35Å; D62-C66 PolarHBondContact OD1-SG 3.47Å; C63-C66 PolarHBondContact O-N 3.3Å; C66-F68 VanDerWaalsContact C-N 3.35Å; C66-Y69 PolarHBondContact O-N 3.42Å; C66-W70 PolarHBondContact O-N 2.99Å
67L86.7Confident83.8Confident27 Ų2749 Ų4914%0.14123%0.229CC..Hα-helixtrans-63.1-42.1177.5-79.2166.3000111I11 T14 L18 C63 I64 Y69 W70 L71I11-L67 HydrophobicContact CG2-CD2 4.05Å; T14-L67 VanDerWaalsContact OG1-CD2 3.3Å; T14-L67 WeakPolarHBondContact OG1-CD2 3.2Å; L18-L67 HydrophobicContact CD2-CD1 3.83Å; C63-L67 WeakPolarHBondContact O-CB 3.48Å; C63-L67 WeakPolarHBondContact O-CD1 3.45Å; C63-L67 WeakPolarHBondContact O-CG 3.48Å; C63-L67 PolarHBondContact O-N 3.46Å; I64-L67 PolarHBondContact O-N 3.1Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Y69 PolarHBondContact O-N 3.3Å; L67-W70 PolarHBondContact O-N 3.48Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CD1 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.23Å; L67-L71 PolarHBondContact O-N 2.96Å
68F84.5Confident83.1Confident143 Ų14347.4 Ų47.463%0.62723%0.228SC*.Hα-helixtrans-60.4-44.5175.1-171.6-98.9000111.3I64 L65 C66 N72I64-F68 WeakPolarHBondContact O-CB 3.37Å; I64-F68 PolarHBondContact O-N 2.82Å; L65-F68 PolarHBondContact O-N 3.33Å; C66-F68 VanDerWaalsContact C-N 3.35Å; F68-N72 WeakPolarHBondContact CD1-ND2 3.27Å; F68-N72 WeakPolarHBondContact CE1-ND2 3.49Å; F68-N72 VanDerWaalsContact CZ-ND2 3.32Å; F68-N72 WeakPolarHBondContact CZ-ND2 3.21Å; F68-N72 WeakPolarHBondContact O-CB 3.48Å; F68-N72 PolarHBondContact O-N 3.23Å; F68-N72 VanDerWaalsContact O-N 3.1Å; F68-N72 PolarHBondContact O-ND2 3.03Å
69Y86Confident82.2Confident17 Ų1749.7 Ų49.77%0.06724%0.236CC..Hα-helixtrans-61.1-51.9175.5174.8-95.1000112.2L65 C66 L67 L71 N72 E73 S95 I98 W99 V103L65-Y69 PolarHBondContact O-N 2.87Å; C66-Y69 PolarHBondContact O-N 3.42Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Y69 PolarHBondContact O-N 3.3Å; Y69-L71 PolarHBondContact O-N 2.99Å; Y69-N72 PolarHBondContact O-N 2.96Å; Y69-E73 HydrophobicContact CE1-CG 4.1Å; Y69-E73 HydrophobicContact CE2-CG 4.28Å; Y69-E73 PolarHBondContact O-N 3.42Å; Y69-S95 WeakPolarHBondContact CE2-OG 3.37Å; Y69-I98 HydrophobicContact CD2-CG2 3.99Å; Y69-I98 HydrophobicContact CE2-CG2 4.44Å; Y69-W99 HydrophobicContact CD1-CE3 4.05Å; Y69-W99 HydrophobicContact CD1-CZ3 4.27Å; Y69-W99 HydrophobicContact CE1-CD2 4.29Å; Y69-W99 AromaticContact CE1-CE3 3.28Å; Y69-W99 HydrophobicContact CE1-CE3 3.28Å; Y69-W99 AromaticContact CE1-CZ3 3.69Å; Y69-W99 HydrophobicContact CE1-CZ3 3.69Å; Y69-W99 HydrophobicContact CE2-CB 4.12Å; Y69-W99 HydrophobicContact CE2-CE3 4.43Å; Y69-W99 AromaticContact CZ-CE3 3.52Å; Y69-W99 WeakPolarHBondContact OH-CB 3.31Å; Y69-V103 HydrophobicContact CD1-CG1 4.29Å; Y69-V103 HydrophobicContact CD1-CG2 4.06Å; Y69-V103 HydrophobicContact CD2-CG2 3.88Å; Y69-V103 HydrophobicContact CE2-CG2 4.47Å; Y69-V103 HydrophobicContact CG-CG2 3.66Å
70W85.3Confident80.9Confident2 Ų252.7 Ų52.71%0.00826%0.256CS..Hα-helixtrans-67.9-36-176.7-71.6118.7000113.4C7 I11 C66 L67 Y74 W99 V289C7-W70 HydrophobicContact CB-CE3 4.25Å; I11-W70 HydrophobicContact CD1-CB 4.31Å; I11-W70 HydrophobicContact CG1-CB 3.62Å; C66-W70 PolarHBondContact O-N 2.99Å; L67-W70 PolarHBondContact O-N 3.48Å; W70-Y74 VanDerWaalsContact O-CB 3.24Å; W70-Y74 WeakPolarHBondContact O-CB 3.04Å; W70-Y74 PolarHBondContact O-N 3.1Å; W70-W99 AromaticContact CH2-CH2 3.71Å; W70-W99 HydrophobicContact CH2-CH2 3.71Å; W70-W99 AromaticContact CH2-CZ3 3.66Å; W70-W99 HydrophobicContact CH2-CZ3 3.66Å; W70-W99 HydrophobicContact CZ2-CE3 4.49Å; W70-W99 AromaticContact CZ2-CH2 3.51Å; W70-W99 HydrophobicContact CZ2-CH2 3.51Å; W70-W99 AromaticContact CZ2-CZ3 3.33Å; W70-W99 HydrophobicContact CZ2-CZ3 3.33Å; W70-V289 HydrophobicContact CH2-CB 4.31Å; W70-V289 HydrophobicContact CH2-CG1 4.05Å; W70-V289 HydrophobicContact CH2-CG2 3.54Å; W70-V289 HydrophobicContact CZ2-CG2 4.39Å; W70-V289 HydrophobicContact CZ3-CG2 4.24Å
71L83.4Confident79.3Confident82 Ų8260.4 Ų60.443%0.42929%0.291SS..Hα-helixtrans-64.9-42.4174.1-76.3168.4000111I11 L67 Y69 Y74 I75I11-L71 HydrophobicContact CD1-CD2 4.1Å; L67-L71 WeakPolarHBondContact O-CB 3.47Å; L67-L71 WeakPolarHBondContact O-CD1 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.23Å; L67-L71 PolarHBondContact O-N 2.96Å; Y69-L71 PolarHBondContact O-N 2.99Å; L71-Y74 PolarHBondContact O-N 3.28Å; L71-I75 WeakPolarHBondContact O-CB 3.22Å; L71-I75 VanDerWaalsContact O-CG1 3.22Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 3.13Å
72N80.6Confident77.8Confident39 Ų3960.9 Ų60.921%0.20930%0.296CS..Hα-helixtrans-65.2-45.1176.2-83.8-66.6000112.2F68 Y69 Y74 I75 I76 Y91F68-N72 WeakPolarHBondContact CD1-ND2 3.27Å; F68-N72 WeakPolarHBondContact CE1-ND2 3.49Å; F68-N72 VanDerWaalsContact CZ-ND2 3.32Å; F68-N72 WeakPolarHBondContact CZ-ND2 3.21Å; F68-N72 WeakPolarHBondContact O-CB 3.48Å; F68-N72 PolarHBondContact O-N 3.23Å; F68-N72 VanDerWaalsContact O-N 3.1Å; F68-N72 PolarHBondContact O-ND2 3.03Å; Y69-N72 PolarHBondContact O-N 2.96Å; N72-Y74 VanDerWaalsContact C-N 3.29Å; N72-Y74 PolarHBondContact O-N 3.27Å; N72-I75 PolarHBondContact O-N 3.19Å; N72-I76 WeakPolarHBondContact O-CB 3.22Å; N72-I76 WeakPolarHBondContact O-CD1 3.19Å; N72-I76 VanDerWaalsContact O-CG1 3.27Å; N72-I76 WeakPolarHBondContact O-CG1 3.46Å; N72-I76 PolarHBondContact O-N 2.84Å; N72-Y91 WeakPolarHBondContact CB-OH 3.43Å
73E81.1Confident76.3Confident0 Ų065 Ų650%031%0.314CS..Hα-helixtrans-61.8-37.3174-86.7-61141.900112.1Y3 Y69 T77 R92 S95Y3-E73 PolarHBondContact OH-OE2 3.46Å; Y69-E73 HydrophobicContact CE1-CG 4.1Å; Y69-E73 HydrophobicContact CE2-CG 4.28Å; Y69-E73 PolarHBondContact O-N 3.42Å; E73-T77 WeakPolarHBondContact O-CB 3.19Å; E73-T77 WeakPolarHBondContact O-CG2 3.27Å; E73-T77 PolarHBondContact O-N 2.98Å; E73-T77 PolarHBondContact O-OG1 3.04Å; E73-R92 IonicContact OE2-NH1 2.78Å; E73-S95 WeakPolarHBondContact OE1-CB 3.47Å; E73-S95 PolarHBondContact OE1-OG 2.91Å
74Y81.3Confident74.8Confident78 Ų7868.1 Ų68.131%0.30634%0.34SS..Hα-helixtrans-64.8-49.1174.6-175.9-102.5000112Q4 C7 I8 I11 W70 L71 N72 I76 T77 V78Q4-Y74 HydrophobicContact CB-CE2 4.3Å; C7-Y74 HydrophobicContact CB-CD2 4.24Å; I8-Y74 HydrophobicContact CD1-CE2 3.69Å; I8-Y74 HydrophobicContact CG1-CD2 4.03Å; I8-Y74 HydrophobicContact CG1-CE2 3.57Å; I11-Y74 HydrophobicContact CD1-CG 4.45Å; W70-Y74 VanDerWaalsContact O-CB 3.24Å; W70-Y74 WeakPolarHBondContact O-CB 3.04Å; W70-Y74 PolarHBondContact O-N 3.1Å; L71-Y74 PolarHBondContact O-N 3.28Å; N72-Y74 VanDerWaalsContact C-N 3.29Å; N72-Y74 PolarHBondContact O-N 3.27Å; Y74-I76 VanDerWaalsContact C-N 3.28Å; Y74-I76 PolarHBondContact O-N 3.39Å; Y74-T77 WeakPolarHBondContact CA-OG1 3.46Å; Y74-T77 PolarHBondContact O-N 3.17Å; Y74-T77 PolarHBondContact O-OG1 3.09Å; Y74-V78 HydrophobicContact CD1-CG2 4.25Å; Y74-V78 HydrophobicContact CD2-CG2 4.37Å; Y74-V78 HydrophobicContact CE1-CG2 3.86Å; Y74-V78 HydrophobicContact CE2-CG2 3.99Å; Y74-V78 HydrophobicContact CG-CG2 4.49Å; Y74-V78 WeakPolarHBondContact O-CB 3.49Å; Y74-V78 VanDerWaalsContact O-CG2 3.27Å; Y74-V78 WeakPolarHBondContact O-CG2 3.45Å; Y74-V78 PolarHBondContact O-N 3.28Å
75I75.4Confident73.6Confident85 Ų8572.1 Ų72.144%0.43635%0.354SS..Hα-helixtrans-58.5-42.6178.9-70.9164.7000110.7L71 N72 V78 F79L71-I75 WeakPolarHBondContact O-CB 3.22Å; L71-I75 VanDerWaalsContact O-CG1 3.22Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 3.13Å; N72-I75 PolarHBondContact O-N 3.19Å; I75-V78 PolarHBondContact O-N 2.95Å; I75-F79 HydrophobicContact CG2-CD2 4.29Å; I75-F79 PolarHBondContact O-N 3.5Å
76I71.7Confident72.3Confident8 Ų875 Ų754%0.04137%0.365CS..Hα-helixtrans-70.5-38.1-178.2-69.6167.9000111.7N72 Y74 V78 F79 F83 Y91N72-I76 WeakPolarHBondContact O-CB 3.22Å; N72-I76 WeakPolarHBondContact O-CD1 3.19Å; N72-I76 VanDerWaalsContact O-CG1 3.27Å; N72-I76 WeakPolarHBondContact O-CG1 3.46Å; N72-I76 PolarHBondContact O-N 2.84Å; Y74-I76 VanDerWaalsContact C-N 3.28Å; Y74-I76 PolarHBondContact O-N 3.39Å; I76-V78 VanDerWaalsContact C-N 3.26Å; I76-V78 PolarHBondContact O-N 3.13Å; I76-F79 CarbonylContact O-C 3.54Å; I76-F83 HydrophobicContact CG1-CE2 4.4Å; I76-Y91 HydrophobicContact CD1-CD1 3.3Å; I76-Y91 HydrophobicContact CD1-CD2 4.23Å; I76-Y91 HydrophobicContact CD1-CE1 2.91Å; I76-Y91 HydrophobicContact CD1-CE2 3.89Å; I76-Y91 HydrophobicContact CD1-CG 3.97Å; I76-Y91 HydrophobicContact CG1-CE1 4.41Å
77T71.4Confident71.3Confident33 Ų3383.9 Ų83.920%0.20240%0.399CS..Hα-helixtrans-73.1-20.1176.754.90000112.9Y3 Q4 E73 Y74Y3-T77 HydrophobicContact CD1-CG2 3.52Å; Y3-T77 HydrophobicContact CE1-CG2 3.59Å; Q4-T77 PolarHBondContact NE2-O 3.06Å; E73-T77 WeakPolarHBondContact O-CB 3.19Å; E73-T77 WeakPolarHBondContact O-CG2 3.27Å; E73-T77 PolarHBondContact O-N 2.98Å; E73-T77 PolarHBondContact O-OG1 3.04Å; Y74-T77 WeakPolarHBondContact CA-OG1 3.46Å; Y74-T77 PolarHBondContact O-N 3.17Å; Y74-T77 PolarHBondContact O-OG1 3.09Å
78V73.3Confident70.3Confident52 Ų5285.4 Ų85.432%0.31541%0.405SS..Hα-helixtrans-86.9-38.7173.1174.70000112.1Y74 I75 I76 P80Y74-V78 HydrophobicContact CD1-CG2 4.25Å; Y74-V78 HydrophobicContact CD2-CG2 4.37Å; Y74-V78 HydrophobicContact CE1-CG2 3.86Å; Y74-V78 HydrophobicContact CE2-CG2 3.99Å; Y74-V78 HydrophobicContact CG-CG2 4.49Å; Y74-V78 WeakPolarHBondContact O-CB 3.49Å; Y74-V78 VanDerWaalsContact O-CG2 3.27Å; Y74-V78 WeakPolarHBondContact O-CG2 3.45Å; Y74-V78 PolarHBondContact O-N 3.28Å; I75-V78 PolarHBondContact O-N 2.95Å; I76-V78 VanDerWaalsContact C-N 3.26Å; I76-V78 PolarHBondContact O-N 3.13Å; V78-P80 VanDerWaalsContact O-CD 3.24Å; V78-P80 WeakPolarHBondContact O-CD 3.42Å
79F67.7Low69.6Low112 Ų11285.2 Ų85.249%0.49140%0.4SS..  trans-118.161.9-176.2-61.5-75.5000114I75 I76 H81I75-F79 HydrophobicContact CG2-CD2 4.29Å; I75-F79 PolarHBondContact O-N 3.5Å; I76-F79 CarbonylContact O-C 3.54Å; F79-H81 VanDerWaalsContact C-N 3.29Å; F79-H81 PolarHBondContact O-N 3.48Å
80P59.9Low68.7Low66 Ų6688.8 Ų88.843%0.42942%0.42SS..G310 helixtrans-64.4-31.9-177.525.8-33.9000113.3V78 K82V78-P80 VanDerWaalsContact O-CD 3.24Å; V78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-K82 VanDerWaalsContact C-N 3.34Å; P80-K82 PolarHBondContact O-N 2.84Å
81H55.3Low68.1Low188 Ų18892.2 Ų92.287%0.8743%0.434SS*.G310 helixtrans-77.1-5.8-170.1-82.9-68.2000116.2F79F79-H81 VanDerWaalsContact C-N 3.29Å; F79-H81 PolarHBondContact O-N 3.48Å
82K56Low67.5Low176 Ų17691.8 Ų91.877%0.76543%0.426SS*.G310 helixtrans-86.9-9.8179.3-79.3-172.2175.5-177.80114.3P80P80-K82 VanDerWaalsContact C-N 3.34Å; P80-K82 PolarHBondContact O-N 2.84Å
83F55.9Low67.2Low86 Ų8695.5 Ų95.538%0.37744%0.441SS..SBendtrans-106.4127.1-178.8-66.1-82.1000110.9I76 R87 H88I76-F83 HydrophobicContact CG1-CE2 4.4Å; F83-R87 HydrophobicContact CD1-CB 4.47Å; F83-H88 HydrophobicContact CB-CB 4.25Å
84A56.5Low66.8Low66 Ų6698.3 Ų98.355%0.54546%0.458SS..  trans-53.6141.7166.500000110H86 R87 H88A84-H86 PolarHBondContact O-N 3.41Å; A84-R87 WeakPolarHBondContact O-CA 3.4Å; A84-R87 WeakPolarHBondContact O-CB 3.16Å; A84-R87 PolarHBondContact O-N 3.34Å; A84-H88 PolarHBondContact O-N 3.31Å
85F61.7Low66.6Low183 Ų18394.7 Ų94.780%0.80344%0.444SS*.Hα-helixtrans-46.2-43-174.3-177.9-96.6000113.1R87 H88 W89F85-R87 PolarHBondContact O-N 2.83Å; F85-H88 PolarHBondContact O-N 2.86Å; F85-W89 PolarHBondContact O-N 3.48Å
86H59.1Low66.6Low131 Ų13192.8 Ų92.861%0.60644%0.435SS*.Hα-helixtrans-66.4-37.6-179.7-150-13.9000113.3A84 L90A84-H86 PolarHBondContact O-N 3.41Å; H86-L90 PolarHBondContact O-N 3.39Å; H86-L90 VanDerWaalsContact O-N 3.14Å
87R63.9Low66.8Low187 Ų18796.4 Ų96.471%0.70645%0.453SS*.Hα-helixtrans-69-39.5174.5-70.2-173.5-175.1-176.41.4111.4F83 A84 F85 Y91F83-R87 HydrophobicContact CD1-CB 4.47Å; A84-R87 WeakPolarHBondContact O-CA 3.4Å; A84-R87 WeakPolarHBondContact O-CB 3.16Å; A84-R87 PolarHBondContact O-N 3.34Å; F85-R87 PolarHBondContact O-N 2.83Å; R87-Y91 VanDerWaalsContact O-CB 3.29Å; R87-Y91 WeakPolarHBondContact O-CB 3.21Å; R87-Y91 PolarHBondContact O-N 2.67Å
88H66.7Low67.2Low60 Ų6098.5 Ų98.528%0.27846%0.463SS..Hα-helixtrans-64.4-42.4177.7-170.176.5000112F83 A84 F85 Y91 R92F83-H88 HydrophobicContact CB-CB 4.25Å; A84-H88 PolarHBondContact O-N 3.31Å; F85-H88 PolarHBondContact O-N 2.86Å; H88-Y91 PolarHBondContact O-N 3.33Å; H88-R92 WeakPolarHBondContact O-CB 3.41Å; H88-R92 PolarHBondContact O-N 3.48Å
89W68.6Low67.5Low138 Ų13896.5 Ų96.552%0.52345%0.449SS..Hα-helixtrans-63.9-48176.3179.284.5000112.5F85 Y91 R92 K93F85-W89 PolarHBondContact O-N 3.48Å; W89-Y91 VanDerWaalsContact C-N 3.29Å; W89-Y91 PolarHBondContact O-N 3.27Å; W89-R92 PolarHBondContact O-N 2.99Å; W89-K93 HydrophobicContact CH2-CD 4.12Å; W89-K93 HydrophobicContact CZ2-CD 4.26Å; W89-K93 PolarHBondContact O-N 3.39Å
90L68.5Low67.8Low93 Ų9395.1 Ų95.149%0.48745%0.447SS..Hα-helixtrans-57.5-45.6176.1-114.9136.2000110.6H86 K93 T94H86-L90 PolarHBondContact O-N 3.39Å; H86-L90 VanDerWaalsContact O-N 3.14Å; L90-K93 PolarHBondContact O-N 2.87Å; L90-T94 WeakPolarHBondContact O-CG2 3.3Å; L90-T94 PolarHBondContact O-N 3.12Å; L90-T94 PolarHBondContact O-OG1 3.46Å
91Y71.5Confident68.6Low73 Ų7397.8 Ų97.829%0.28646%0.457SS..Hα-helixtrans-63.2-44.7178.1-166-75000112.7N72 I76 R87 H88 W89 K93 T94 S95N72-Y91 WeakPolarHBondContact CB-OH 3.43Å; I76-Y91 HydrophobicContact CD1-CD1 3.3Å; I76-Y91 HydrophobicContact CD1-CD2 4.23Å; I76-Y91 HydrophobicContact CD1-CE1 2.91Å; I76-Y91 HydrophobicContact CD1-CE2 3.89Å; I76-Y91 HydrophobicContact CD1-CG 3.97Å; I76-Y91 HydrophobicContact CG1-CE1 4.41Å; R87-Y91 VanDerWaalsContact O-CB 3.29Å; R87-Y91 WeakPolarHBondContact O-CB 3.21Å; R87-Y91 PolarHBondContact O-N 2.67Å; H88-Y91 PolarHBondContact O-N 3.33Å; W89-Y91 VanDerWaalsContact C-N 3.29Å; W89-Y91 PolarHBondContact O-N 3.27Å; Y91-K93 VanDerWaalsContact C-N 3.26Å; Y91-K93 PolarHBondContact O-N 3.39Å; Y91-T94 VanDerWaalsContact CA-OG1 3.29Å; Y91-T94 WeakPolarHBondContact CA-OG1 3.38Å; Y91-T94 PolarHBondContact O-N 2.91Å; Y91-T94 PolarHBondContact O-OG1 3.1Å; Y91-S95 VanDerWaalsContact O-CB 3.26Å; Y91-S95 WeakPolarHBondContact O-CB 3.29Å; Y91-S95 PolarHBondContact O-N 3.43Å
92R72.2Confident69.7Low74 Ų7491.2 Ų91.228%0.27943%0.43SS..Hα-helixtrans-60.7-39.9178.8-159.783.6-177.1167.211.7110.9E73 H88 W89 N96E73-R92 IonicContact OE2-NH1 2.78Å; H88-R92 WeakPolarHBondContact O-CB 3.41Å; H88-R92 PolarHBondContact O-N 3.48Å; W89-R92 PolarHBondContact O-N 2.99Å; R92-N96 WeakPolarHBondContact O-CB 3.24Å; R92-N96 VanDerWaalsContact O-CG 3.26Å; R92-N96 PolarHBondContact O-N 2.8Å
93K73Confident71Confident116 Ų11682.9 Ų82.950%0.50439%0.394SS..Hα-helixtrans-66.3-47.1176.1-167.6177.7-180-178.30111.2W89 L90 Y91 N96 I97W89-K93 HydrophobicContact CH2-CD 4.12Å; W89-K93 HydrophobicContact CZ2-CD 4.26Å; W89-K93 PolarHBondContact O-N 3.39Å; L90-K93 PolarHBondContact O-N 2.87Å; Y91-K93 VanDerWaalsContact C-N 3.26Å; Y91-K93 PolarHBondContact O-N 3.39Å; K93-N96 PolarHBondContact O-N 2.69Å; K93-I97 HydrophobicContact CG-CD1 4.16Å; K93-I97 WeakPolarHBondContact O-CD1 3.3Å; K93-I97 VanDerWaalsContact O-CG1 3.23Å; K93-I97 WeakPolarHBondContact O-CG1 3.45Å; K93-I97 PolarHBondContact O-N 2.7Å
94T72.4Confident72.2Confident59 Ų5982.1 Ų82.136%0.36239%0.39SS..Hα-helixtrans-64.8-39.3177.253.10000112.3L90 Y91 I97 I98L90-T94 WeakPolarHBondContact O-CG2 3.3Å; L90-T94 PolarHBondContact O-N 3.12Å; L90-T94 PolarHBondContact O-OG1 3.46Å; Y91-T94 VanDerWaalsContact CA-OG1 3.29Å; Y91-T94 WeakPolarHBondContact CA-OG1 3.38Å; Y91-T94 PolarHBondContact O-N 2.91Å; Y91-T94 PolarHBondContact O-OG1 3.1Å; T94-I97 PolarHBondContact O-N 2.79Å; T94-I98 WeakPolarHBondContact O-CB 3.19Å; T94-I98 WeakPolarHBondContact O-CD1 3.18Å; T94-I98 WeakPolarHBondContact O-CG1 3.33Å; T94-I98 PolarHBondContact O-N 3.5Å
95S78.4Confident73.4Confident3 Ų382 Ų822%0.02139%0.385CS..Hα-helixtrans-64.2-45.3177.9-169.10000111.8Y69 E73 Y91 I97 I98 W99Y69-S95 WeakPolarHBondContact CE2-OG 3.37Å; E73-S95 WeakPolarHBondContact OE1-CB 3.47Å; E73-S95 PolarHBondContact OE1-OG 2.91Å; Y91-S95 VanDerWaalsContact O-CB 3.26Å; Y91-S95 WeakPolarHBondContact O-CB 3.29Å; Y91-S95 PolarHBondContact O-N 3.43Å; S95-I97 VanDerWaalsContact C-N 3.32Å; S95-I97 PolarHBondContact O-N 2.91Å; S95-I98 PolarHBondContact O-N 2.87Å; S95-W99 WeakPolarHBondContact O-CB 3.43Å; S95-W99 PolarHBondContact O-N 2.83Å
96N74.7Confident74.5Confident45 Ų4577.3 Ų77.324%0.24137%0.365CS..Hα-helixtrans-61.2-40.8174.3-73.1-8.3000111.9R92 K93 W99 D100R92-N96 WeakPolarHBondContact O-CB 3.24Å; R92-N96 VanDerWaalsContact O-CG 3.26Å; R92-N96 PolarHBondContact O-N 2.8Å; K93-N96 PolarHBondContact O-N 2.69Å; N96-W99 WeakPolarHBondContact O-CB 3.43Å; N96-W99 PolarHBondContact O-N 2.64Å; N96-D100 PolarHBondContact O-N 3.1Å
97I76.4Confident75.7Confident83 Ų8371.1 Ų71.143%0.42634%0.336SS..Hα-helixtrans-62.9-45.3175.7-69.9167000110.7K93 T94 S95 W99 D100 L101K93-I97 HydrophobicContact CG-CD1 4.16Å; K93-I97 WeakPolarHBondContact O-CD1 3.3Å; K93-I97 VanDerWaalsContact O-CG1 3.23Å; K93-I97 WeakPolarHBondContact O-CG1 3.45Å; K93-I97 PolarHBondContact O-N 2.7Å; T94-I97 PolarHBondContact O-N 2.79Å; S95-I97 VanDerWaalsContact C-N 3.32Å; S95-I97 PolarHBondContact O-N 2.91Å; I97-W99 VanDerWaalsContact C-N 3.32Å; I97-W99 PolarHBondContact O-N 3.32Å; I97-D100 PolarHBondContact O-N 3.46Å; I97-L101 HydrophobicContact CG2-CD1 3.63Å; I97-L101 VanDerWaalsContact O-CB 3.32Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 PolarHBondContact O-N 2.8Å
98I79.1Confident76.7Confident78 Ų7868.1 Ų68.140%0.433%0.325SS..Hα-helixtrans-62.9-39.6176.6-69.7164000110.9Y69 T94 S95 V102 V103Y69-I98 HydrophobicContact CD2-CG2 3.99Å; Y69-I98 HydrophobicContact CE2-CG2 4.44Å; T94-I98 WeakPolarHBondContact O-CB 3.19Å; T94-I98 WeakPolarHBondContact O-CD1 3.18Å; T94-I98 WeakPolarHBondContact O-CG1 3.33Å; T94-I98 PolarHBondContact O-N 3.5Å; S95-I98 PolarHBondContact O-N 2.87Å; I98-V102 HydrophobicContact CG2-CB 4.47Å; I98-V102 WeakPolarHBondContact O-CA 3.28Å; I98-V102 VanDerWaalsContact O-CB 3.22Å; I98-V102 WeakPolarHBondContact O-CB 3.3Å; I98-V102 PolarHBondContact O-N 3.36Å; I98-V103 HydrophobicContact CG2-CG2 4.24Å; I98-V103 PolarHBondContact O-N 3.18Å; I98-V103 VanDerWaalsContact O-N 3.1Å
99W79.5Confident77.6Confident9 Ų970.7 Ų70.73%0.03434%0.336CS..Iπ-helixtrans-61.3-54.2176.6176-104.2000112.3Y69 W70 S95 N96 I97 V103 K104 I107 C286 V289Y69-W99 HydrophobicContact CD1-CE3 4.05Å; Y69-W99 HydrophobicContact CD1-CZ3 4.27Å; Y69-W99 HydrophobicContact CE1-CD2 4.29Å; Y69-W99 AromaticContact CE1-CE3 3.28Å; Y69-W99 HydrophobicContact CE1-CE3 3.28Å; Y69-W99 AromaticContact CE1-CZ3 3.69Å; Y69-W99 HydrophobicContact CE1-CZ3 3.69Å; Y69-W99 HydrophobicContact CE2-CB 4.12Å; Y69-W99 HydrophobicContact CE2-CE3 4.43Å; Y69-W99 AromaticContact CZ-CE3 3.52Å; Y69-W99 WeakPolarHBondContact OH-CB 3.31Å; W70-W99 AromaticContact CH2-CH2 3.71Å; W70-W99 HydrophobicContact CH2-CH2 3.71Å; W70-W99 AromaticContact CH2-CZ3 3.66Å; W70-W99 HydrophobicContact CH2-CZ3 3.66Å; W70-W99 HydrophobicContact CZ2-CE3 4.49Å; W70-W99 AromaticContact CZ2-CH2 3.51Å; W70-W99 HydrophobicContact CZ2-CH2 3.51Å; W70-W99 AromaticContact CZ2-CZ3 3.33Å; W70-W99 HydrophobicContact CZ2-CZ3 3.33Å; S95-W99 WeakPolarHBondContact O-CB 3.43Å; S95-W99 PolarHBondContact O-N 2.83Å; N96-W99 WeakPolarHBondContact O-CB 3.43Å; N96-W99 PolarHBondContact O-N 2.64Å; I97-W99 VanDerWaalsContact C-N 3.32Å; I97-W99 PolarHBondContact O-N 3.32Å; W99-V103 HydrophobicContact CE3-CB 3.71Å; W99-V103 HydrophobicContact CE3-CG1 3.58Å; W99-V103 HydrophobicContact CE3-CG2 4.4Å; W99-V103 HydrophobicContact CH2-CG1 4.47Å; W99-V103 HydrophobicContact CZ3-CB 4.09Å; W99-V103 HydrophobicContact CZ3-CG1 3.43Å; W99-V103 VanDerWaalsContact CZ3-CG1 3.43Å; W99-V103 PolarHBondContact O-N 3.12Å; W99-K104 WeakPolarHBondContact O-CB 3.22Å; W99-K104 PolarHBondContact O-N 2.98Å; W99-I107 HydrophobicContact CH2-CD1 4.43Å; W99-C286 HydrophobicContact CH2-CB 4.43Å; W99-C286 WeakPolarHBondContact CH2-SG 3.45Å; W99-C286 WeakPolarHBondContact CZ2-SG 3.25Å; W99-V289 HydrophobicContact CZ2-CG1 4.43Å
100D74.4Confident78.5Confident83 Ų8364.2 Ų64.244%0.44431%0.311SS..Iπ-helixtrans-70.5-39-174.4-76.7-30.7000112.2N96 I97N96-D100 PolarHBondContact O-N 3.1Å; I97-D100 PolarHBondContact O-N 3.46Å
101L76Confident79.4Confident123 Ų12360.3 Ų60.364%0.64429%0.291SS*.Iπ-helixtrans-81.9-44.3-178.9-72171.8000112.9I97 S105I97-L101 HydrophobicContact CG2-CD1 3.63Å; I97-L101 VanDerWaalsContact O-CB 3.32Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 PolarHBondContact O-N 2.8Å; L101-S105 WeakPolarHBondContact O-CB 3.46Å; L101-S105 PolarHBondContact O-OG 2.66Å
102V80.1Confident80.2Confident49 Ų4961.9 Ų61.930%0.29730%0.304SS..Iπ-helixtrans-104.9-68.8-166.5-169.70000110.3L65 I98 K104 S105 F106L65-V102 HydrophobicContact CD2-CG1 3.42Å; L65-V102 VanDerWaalsContact CD2-CG1 3.42Å; L65-V102 HydrophobicContact CG-CG1 4.47Å; I98-V102 HydrophobicContact CG2-CB 4.47Å; I98-V102 WeakPolarHBondContact O-CA 3.28Å; I98-V102 VanDerWaalsContact O-CB 3.22Å; I98-V102 WeakPolarHBondContact O-CB 3.3Å; I98-V102 PolarHBondContact O-N 3.36Å; V102-K104 PolarHBondContact O-N 3.02Å; V102-S105 PolarHBondContact O-N 2.95Å; V102-F106 HydrophobicContact CG1-CD2 3.89Å; V102-F106 HydrophobicContact CG1-CE2 3.94Å; V102-F106 VanDerWaalsContact O-CD2 3.25Å; V102-F106 WeakPolarHBondContact O-CD2 3.26Å; V102-F106 PolarHBondContact O-N 2.8Å
103V82.6Confident80.9Confident1 Ų159.3 Ų59.31%0.00630%0.297CS..Iπ-helixtrans-62.3-44.5-167.9-177.40000112.2Y69 I98 W99 F106 I107Y69-V103 HydrophobicContact CD1-CG1 4.29Å; Y69-V103 HydrophobicContact CD1-CG2 4.06Å; Y69-V103 HydrophobicContact CD2-CG2 3.88Å; Y69-V103 HydrophobicContact CE2-CG2 4.47Å; Y69-V103 HydrophobicContact CG-CG2 3.66Å; I98-V103 HydrophobicContact CG2-CG2 4.24Å; I98-V103 PolarHBondContact O-N 3.18Å; I98-V103 VanDerWaalsContact O-N 3.1Å; W99-V103 HydrophobicContact CE3-CB 3.71Å; W99-V103 HydrophobicContact CE3-CG1 3.58Å; W99-V103 HydrophobicContact CE3-CG2 4.4Å; W99-V103 HydrophobicContact CH2-CG1 4.47Å; W99-V103 HydrophobicContact CZ3-CB 4.09Å; W99-V103 HydrophobicContact CZ3-CG1 3.43Å; W99-V103 VanDerWaalsContact CZ3-CG1 3.43Å; W99-V103 PolarHBondContact O-N 3.12Å; V103-F106 PolarHBondContact O-N 3.41Å; V103-I107 HydrophobicContact CG1-CD1 3.81Å; V103-I107 HydrophobicContact CG1-CG1 4.43Å; V103-I107 VanDerWaalsContact O-CG1 3.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.24Å; V103-I107 PolarHBondContact O-N 2.84Å
104K80.8Confident81.6Confident70 Ų7053.8 Ų53.830%0.30427%0.273SS..Hα-helixtrans-61.9-46.8178.9-177.5-178.3179.4-1790112.2W99 V102 I107 W108W99-K104 WeakPolarHBondContact O-CB 3.22Å; W99-K104 PolarHBondContact O-N 2.98Å; V102-K104 PolarHBondContact O-N 3.02Å; K104-I107 PolarHBondContact O-N 3.18Å; K104-W108 PolarHBondContact O-N 2.72Å
105S82.8Confident82.4Confident63 Ų6354.6 Ų54.644%0.44128%0.275SS..Hα-helixtrans-63-44179.8-56.60000111.2L101 V102 W108 F109L101-S105 WeakPolarHBondContact O-CB 3.46Å; L101-S105 PolarHBondContact O-OG 2.66Å; V102-S105 PolarHBondContact O-N 2.95Å; S105-W108 PolarHBondContact O-N 3.12Å; S105-F109 VanDerWaalsContact O-CB 3.25Å; S105-F109 WeakPolarHBondContact O-CB 3.5Å; S105-F109 PolarHBondContact O-N 2.82Å
106F83.5Confident82.8Confident85 Ų8561.6 Ų61.637%0.37330%0.302SS..Hα-helixtrans-64.6-41.5176.9-89.5-96.9000112.2D62 L65 V102 V103 W108 F109 T110D62-F106 HydrophobicContact CB-CD1 4.29Å; D62-F106 WeakPolarHBondContact OD1-CB 3.32Å; L65-F106 HydrophobicContact CD2-CD2 4.28Å; L65-F106 HydrophobicContact CD2-CE2 4.35Å; L65-F106 HydrophobicContact CD2-CG 4.4Å; V102-F106 HydrophobicContact CG1-CD2 3.89Å; V102-F106 HydrophobicContact CG1-CE2 3.94Å; V102-F106 VanDerWaalsContact O-CD2 3.25Å; V102-F106 WeakPolarHBondContact O-CD2 3.26Å; V102-F106 PolarHBondContact O-N 2.8Å; V103-F106 PolarHBondContact O-N 3.41Å; F106-W108 PolarHBondContact O-N 3.18Å; F106-F109 PolarHBondContact O-N 2.85Å; F106-T110 WeakPolarHBondContact O-CG2 3.47Å; F106-T110 PolarHBondContact O-N 2.86Å; F106-T110 PolarHBondContact O-OG1 3.19Å
107I84.6Confident83.5Confident1 Ų159.9 Ų59.91%0.00529%0.293CS..Hα-helixtrans-61-45.7178-69.5167.2000112W99 V103 K104 T110 T111 L283 C286W99-I107 HydrophobicContact CH2-CD1 4.43Å; V103-I107 HydrophobicContact CG1-CD1 3.81Å; V103-I107 HydrophobicContact CG1-CG1 4.43Å; V103-I107 VanDerWaalsContact O-CG1 3.26Å; V103-I107 WeakPolarHBondContact O-CG1 3.24Å; V103-I107 PolarHBondContact O-N 2.84Å; K104-I107 PolarHBondContact O-N 3.18Å; I107-T110 PolarHBondContact O-OG1 2.8Å; I107-T111 WeakPolarHBondContact O-CG2 3.49Å; I107-T111 PolarHBondContact O-N 3.08Å; I107-T111 VanDerWaalsContact O-N 3.16Å; I107-T111 PolarHBondContact O-OG1 2.94Å; I107-L283 HydrophobicContact CG2-CD1 4.02Å; I107-C286 HydrophobicContact CD1-CB 4.39Å
108W84.1Confident84Confident124 Ų12457.7 Ų57.747%0.4728%0.281SS..Hα-helixtrans-66.4-39.1175.8-88.2103.6000112.5K104 S105 F106 T111 L112 L283K104-W108 PolarHBondContact O-N 2.72Å; S105-W108 PolarHBondContact O-N 3.12Å; F106-W108 PolarHBondContact O-N 3.18Å; W108-T111 PolarHBondContact O-OG1 3.43Å; W108-L112 WeakPolarHBondContact O-CB 3.32Å; W108-L112 WeakPolarHBondContact O-CG 3.38Å; W108-L112 PolarHBondContact O-N 3.14Å; W108-L112 VanDerWaalsContact O-N 3.14Å; W108-L283 HydrophobicContact CD2-CD1 4.09Å; W108-L283 HydrophobicContact CH2-CD1 4.5Å; W108-L283 HydrophobicContact CH2-CD2 4.11Å; W108-L283 HydrophobicContact CZ2-CD1 4.05Å; W108-L283 HydrophobicContact CZ2-CD2 4.36Å; W108-L283 HydrophobicContact CZ3-CD2 4.35Å
109F86.7Confident84.4Confident114 Ų11458.7 Ų58.750%0.529%0.286SS..Hα-helixtrans-62.7-45.4177.5175.9-101.9000111.8I58 S105 F106 L112 S113I58-F109 HydrophobicContact CG2-CD1 4.43Å; I58-F109 HydrophobicContact CG2-CE1 3.87Å; S105-F109 VanDerWaalsContact O-CB 3.25Å; S105-F109 WeakPolarHBondContact O-CB 3.5Å; S105-F109 PolarHBondContact O-N 2.82Å; F106-F109 PolarHBondContact O-N 2.85Å; F109-L112 PolarHBondContact O-N 3.32Å; F109-S113 WeakPolarHBondContact O-CB 3.39Å; F109-S113 PolarHBondContact O-N 2.92Å
110T88.1Confident84.7Confident2 Ų260.3 Ų60.31%0.01230%0.295CS..Hα-helixtrans-72.5-31.9-179.565.60000113.1I58 D62 F106 I107 S113 S114 H279 R282I58-T110 HydrophobicContact CG2-CG2 4.27Å; D62-T110 HydrophobicContact CB-CG2 3.72Å; D62-T110 VanDerWaalsContact OD2-CG2 3.3Å; D62-T110 WeakPolarHBondContact OD2-CG2 3.43Å; F106-T110 WeakPolarHBondContact O-CG2 3.47Å; F106-T110 PolarHBondContact O-N 2.86Å; F106-T110 PolarHBondContact O-OG1 3.19Å; I107-T110 PolarHBondContact O-OG1 2.8Å; T110-S113 PolarHBondContact O-N 2.97Å; T110-S114 WeakPolarHBondContact O-CB 3.24Å; T110-S114 PolarHBondContact O-N 3.32Å; T110-H279 PolarHBondContact OG1-CE1 3.28Å; T110-R282 PolarHBondContact OG1-NH2 3.17Å
111T86.7Confident85.2Confident11 Ų1156.4 Ų56.47%0.06727%0.274CS..Hα-helixtrans-64.5-45.5175.259.80000110.2I107 W108 S114 I115 H279 L283I107-T111 WeakPolarHBondContact O-CG2 3.49Å; I107-T111 PolarHBondContact O-N 3.08Å; I107-T111 VanDerWaalsContact O-N 3.16Å; I107-T111 PolarHBondContact O-OG1 2.94Å; W108-T111 PolarHBondContact O-OG1 3.43Å; T111-S114 PolarHBondContact O-N 3.25Å; T111-I115 WeakPolarHBondContact O-CG1 3.39Å; T111-I115 PolarHBondContact O-N 2.7Å; T111-I115 VanDerWaalsContact O-N 3.16Å; T111-H279 HydrophobicContact CG2-CB 3.74Å; T111-L283 HydrophobicContact CG2-CB 4.32Å; T111-L283 HydrophobicContact CG2-CD1 4.46Å
112L88.1Confident85.6Confident106 Ų10653.1 Ų53.156%0.55526%0.256SS*.Hα-helixtrans-64.9-43.6173.9-72.4170.3000111.8W108 F109 S114 I115 Y116W108-L112 WeakPolarHBondContact O-CB 3.32Å; W108-L112 WeakPolarHBondContact O-CG 3.38Å; W108-L112 PolarHBondContact O-N 3.14Å; W108-L112 VanDerWaalsContact O-N 3.14Å; F109-L112 PolarHBondContact O-N 3.32Å; L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.45Å; L112-I115 PolarHBondContact O-N 3.34Å; L112-Y116 VanDerWaalsContact O-CB 3.3Å; L112-Y116 WeakPolarHBondContact O-CB 3.14Å; L112-Y116 PolarHBondContact O-N 2.83Å
113S86.7Confident85.7Confident20 Ų2056.7 Ų56.714%0.1427%0.274CS..Hα-helixtrans-60.3-38.7176.7-177.30000111.8F109 T110 Y116 T117F109-S113 WeakPolarHBondContact O-CB 3.39Å; F109-S113 PolarHBondContact O-N 2.92Å; T110-S113 PolarHBondContact O-N 2.97Å; S113-Y116 PolarHBondContact O-N 3.45Å; S113-T117 VanDerWaalsContact O-CB 3.29Å; S113-T117 WeakPolarHBondContact O-CB 3.39Å; S113-T117 PolarHBondContact O-N 3.47Å; S113-T117 PolarHBondContact O-OG1 3.35Å
114S88.6Confident85.7Confident0 Ų058.9 Ų58.90%028%0.284CS..Hα-helixtrans-68.1-39.6176.3-177.80000112.5K55 T110 T111 L112 F118 H279K55-S114 PolarHBondContact NZ-OG 2.89Å; T110-S114 WeakPolarHBondContact O-CB 3.24Å; T110-S114 PolarHBondContact O-N 3.32Å; T111-S114 PolarHBondContact O-N 3.25Å; L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.45Å; S114-F118 PolarHBondContact O-N 2.67Å; S114-F118 VanDerWaalsContact O-N 3.12Å; S114-H279 WeakPolarHBondContact CB-CD2 3.08Å
115I88.4Confident85.6Confident76 Ų7655.6 Ų55.639%0.3927%0.27SS..Hα-helixtrans-65.6-47.7174.9-65.8166.2000109.9T111 L112 T117 F118 I119 I276T111-I115 WeakPolarHBondContact O-CG1 3.39Å; T111-I115 PolarHBondContact O-N 2.7Å; T111-I115 VanDerWaalsContact O-N 3.16Å; L112-I115 PolarHBondContact O-N 3.34Å; I115-T117 PolarHBondContact O-N 3.03Å; I115-F118 WeakPolarHBondContact O-CB 3.32Å; I115-F118 PolarHBondContact O-N 3.46Å; I115-I119 HydrophobicContact CG2-CD1 4.21Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.25Å; I115-I119 VanDerWaalsContact O-N 3.11Å; I115-I276 HydrophobicContact CG1-CD1 4.35Å; I115-I276 HydrophobicContact CG1-CG1 4.17Å
116Y87.4Confident85.4Confident150 Ų15054.9 Ų54.959%0.58827%0.272SS*.Hα-helixtrans-59.9-44.2178.2177.9-112.9000112.1L112 S113 F118 I119 I120L112-Y116 VanDerWaalsContact O-CB 3.3Å; L112-Y116 WeakPolarHBondContact O-CB 3.14Å; L112-Y116 PolarHBondContact O-N 2.83Å; S113-Y116 PolarHBondContact O-N 3.45Å; Y116-F118 VanDerWaalsContact C-N 3.3Å; Y116-F118 PolarHBondContact O-N 3.46Å; Y116-I119 PolarHBondContact O-N 3.03Å; Y116-I120 HydrophobicContact CD1-CD1 3.61Å; Y116-I120 HydrophobicContact CD2-CD1 4.4Å; Y116-I120 HydrophobicContact CE1-CD1 3.12Å; Y116-I120 HydrophobicContact CE1-CG1 4.18Å; Y116-I120 HydrophobicContact CE2-CD1 3.98Å; Y116-I120 HydrophobicContact CE2-CG1 4.19Å; Y116-I120 HydrophobicContact CG-CD1 4.23Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.38Å
117T87.9Confident85.1Confident10 Ų1053.1 Ų53.16%0.06127%0.27CS..Hα-helixtrans-62.6-38.2176.8-56.10000111.6I51 K55 S113 I115 I119 I120 L121I51-T117 HydrophobicContact CG2-CG2 3.49Å; I51-T117 VanDerWaalsContact CG2-CG2 3.49Å; K55-T117 HydrophobicContact CB-CG2 4.19Å; K55-T117 HydrophobicContact CD-CG2 3.61Å; K55-T117 HydrophobicContact CG-CG2 4.45Å; S113-T117 VanDerWaalsContact O-CB 3.29Å; S113-T117 WeakPolarHBondContact O-CB 3.39Å; S113-T117 PolarHBondContact O-N 3.47Å; S113-T117 PolarHBondContact O-OG1 3.35Å; I115-T117 PolarHBondContact O-N 3.03Å; T117-I119 VanDerWaalsContact C-N 3.33Å; T117-I119 PolarHBondContact O-N 3.26Å; T117-I120 PolarHBondContact O-N 3.17Å; T117-L121 HydrophobicContact CG2-CD1 4.07Å; T117-L121 HydrophobicContact CG2-CG 4.31Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 VanDerWaalsContact O-CG 3.24Å; T117-L121 WeakPolarHBondContact O-CG 3.28Å; T117-L121 PolarHBondContact O-N 3.3Å
118F88.9Confident84.7Confident37 Ų3753.2 Ų53.216%0.16227%0.271CS..Hα-helixtrans-63.1-40.7175.8177.6-127.7000111.9S114 I115 Y116 L121 L122 T268 I276S114-F118 PolarHBondContact O-N 2.67Å; S114-F118 VanDerWaalsContact O-N 3.12Å; I115-F118 WeakPolarHBondContact O-CB 3.32Å; I115-F118 PolarHBondContact O-N 3.46Å; Y116-F118 VanDerWaalsContact C-N 3.3Å; Y116-F118 PolarHBondContact O-N 3.46Å; F118-L121 PolarHBondContact O-N 3.33Å; F118-L122 HydrophobicContact CD1-CD1 4.32Å; F118-L122 HydrophobicContact CD2-CD1 4.38Å; F118-L122 HydrophobicContact CD2-CG 4.37Å; F118-L122 HydrophobicContact CE1-CD1 3.86Å; F118-L122 HydrophobicContact CE2-CD1 3.93Å; F118-L122 HydrophobicContact CE2-CD2 4.24Å; F118-L122 HydrophobicContact CE2-CG 4.01Å; F118-L122 HydrophobicContact CZ-CD1 3.67Å; F118-L122 HydrophobicContact CZ-CD2 4.46Å; F118-L122 HydrophobicContact CZ-CG 4.24Å; F118-L122 WeakPolarHBondContact O-CG 3.42Å; F118-L122 PolarHBondContact O-N 2.69Å; F118-L122 VanDerWaalsContact O-N 3.12Å; F118-T268 HydrophobicContact CD2-CG2 4.42Å; F118-T268 HydrophobicContact CE2-CG2 4.33Å; F118-T268 WeakPolarHBondContact CE2-O 3.43Å; F118-I276 HydrophobicContact CB-CD1 4.22Å; F118-I276 HydrophobicContact CD1-CD1 3.78Å; F118-I276 HydrophobicContact CE1-CD1 4.48Å; F118-I276 HydrophobicContact CG-CD1 4.2Å
119I85.8Confident84.2Confident99 Ų9950.4 Ų50.451%0.50827%0.265SS..Hα-helixtrans-64.1-46.5176.2-63.9168.6000110.8I115 Y116 T117 L121 L122 D123I115-I119 HydrophobicContact CG2-CD1 4.21Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.25Å; I115-I119 VanDerWaalsContact O-N 3.11Å; Y116-I119 PolarHBondContact O-N 3.03Å; T117-I119 VanDerWaalsContact C-N 3.33Å; T117-I119 PolarHBondContact O-N 3.26Å; I119-L121 VanDerWaalsContact C-N 3.32Å; I119-L121 PolarHBondContact O-N 2.88Å; I119-L122 PolarHBondContact O-N 2.96Å; I119-D123 PolarHBondContact O-N 3.22Å
120I85.8Confident83.6Confident43 Ų4350.8 Ų50.822%0.22127%0.273CS..Hα-helixtrans-60.9-41.6177.2-65.3164.4000111.5I51 Y116 T117 L122 D123 E124I51-I120 HydrophobicContact CD1-CG2 3.76Å; Y116-I120 HydrophobicContact CD1-CD1 3.61Å; Y116-I120 HydrophobicContact CD2-CD1 4.4Å; Y116-I120 HydrophobicContact CE1-CD1 3.12Å; Y116-I120 HydrophobicContact CE1-CG1 4.18Å; Y116-I120 HydrophobicContact CE2-CD1 3.98Å; Y116-I120 HydrophobicContact CE2-CG1 4.19Å; Y116-I120 HydrophobicContact CG-CD1 4.23Å; Y116-I120 WeakPolarHBondContact O-CG1 3.5Å; Y116-I120 PolarHBondContact O-N 3.38Å; T117-I120 PolarHBondContact O-N 3.17Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 2.9Å; I120-D123 WeakPolarHBondContact O-CB 3.16Å; I120-D123 PolarHBondContact O-N 2.98Å; I120-E124 HydrophobicContact CG2-CG 4.37Å; I120-E124 PolarHBondContact O-N 3.29Å
121L84.9Confident83Confident1 Ų152.4 Ų52.41%0.00528%0.281CS..Hα-helixtrans-63.8-37.3179.4-73171.3000111.9I48 I51 I52 T117 F118 I119 I125 T268 Y271I48-L121 HydrophobicContact CB-CD2 4.27Å; I48-L121 HydrophobicContact CG1-CD2 4.08Å; I48-L121 HydrophobicContact CG2-CD2 3.87Å; I51-L121 HydrophobicContact CB-CD2 4.32Å; I51-L121 HydrophobicContact CG2-CD2 3.96Å; I51-L121 HydrophobicContact CG2-CG 4.19Å; I52-L121 HydrophobicContact CG1-CD1 4.42Å; I52-L121 HydrophobicContact CG1-CD2 4.44Å; T117-L121 HydrophobicContact CG2-CD1 4.07Å; T117-L121 HydrophobicContact CG2-CG 4.31Å; T117-L121 WeakPolarHBondContact O-CB 3.31Å; T117-L121 VanDerWaalsContact O-CG 3.24Å; T117-L121 WeakPolarHBondContact O-CG 3.28Å; T117-L121 PolarHBondContact O-N 3.3Å; F118-L121 PolarHBondContact O-N 3.33Å; I119-L121 VanDerWaalsContact C-N 3.32Å; I119-L121 PolarHBondContact O-N 2.88Å; L121-I125 WeakPolarHBondContact O-CD1 3.34Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.26Å; L121-T268 HydrophobicContact CB-CG2 3.6Å; L121-T268 HydrophobicContact CD1-CG2 4.46Å; L121-Y271 HydrophobicContact CD1-CD1 3.88Å; L121-Y271 HydrophobicContact CD1-CE1 3.86Å
122L84.2Confident82.4Confident53 Ų5351.9 Ų51.928%0.27728%0.278SS..Hα-helixtrans-66.9-38.2173.9-71.2171.9000112F118 I119 I120 G126 Y265 T268F118-L122 HydrophobicContact CD1-CD1 4.32Å; F118-L122 HydrophobicContact CD2-CD1 4.38Å; F118-L122 HydrophobicContact CD2-CG 4.37Å; F118-L122 HydrophobicContact CE1-CD1 3.86Å; F118-L122 HydrophobicContact CE2-CD1 3.93Å; F118-L122 HydrophobicContact CE2-CD2 4.24Å; F118-L122 HydrophobicContact CE2-CG 4.01Å; F118-L122 HydrophobicContact CZ-CD1 3.67Å; F118-L122 HydrophobicContact CZ-CD2 4.46Å; F118-L122 HydrophobicContact CZ-CG 4.24Å; F118-L122 WeakPolarHBondContact O-CG 3.42Å; F118-L122 PolarHBondContact O-N 2.69Å; F118-L122 VanDerWaalsContact O-N 3.12Å; I119-L122 PolarHBondContact O-N 2.96Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 2.9Å; L122-G126 PolarHBondContact O-N 3.36Å; L122-G126 VanDerWaalsContact O-N 3.13Å; L122-Y265 HydrophobicContact CD2-CD1 4.04Å; L122-Y265 HydrophobicContact CD2-CE1 3.9Å; L122-T268 HydrophobicContact CD2-CG2 4.22Å; L122-T268 HydrophobicContact CG-CG2 4.49Å
123D83.4Confident81.7Confident124 Ų12450.7 Ų50.766%0.66327%0.27SS*.Hα-helixtrans-67-44.4177.8-167.747.4000111.9I119 I120 I125 G126 S127I119-D123 PolarHBondContact O-N 3.22Å; I120-D123 WeakPolarHBondContact O-CB 3.16Å; I120-D123 PolarHBondContact O-N 2.98Å; D123-I125 VanDerWaalsContact C-N 3.31Å; D123-I125 PolarHBondContact O-N 3.42Å; D123-G126 WeakPolarHBondContact O-CA 3.27Å; D123-G126 PolarHBondContact O-N 3.38Å; D123-S127 PolarHBondContact O-N 3.42Å
124E81.5Confident81.1Confident48 Ų4853.4 Ų53.422%0.22428%0.282CS..Hα-helixtrans-61.4-38.2176.2-76.6-148.3163.900112.6S47 I48 I51 I120 G126 S127S47-E124 WeakPolarHBondContact CB-OE1 3.22Å; S47-E124 WeakPolarHBondContact CB-OE2 3.27Å; S47-E124 VanDerWaalsContact OG-CD 3.31Å; S47-E124 PolarHBondContact OG-OE1 3.04Å; S47-E124 PolarHBondContact OG-OE2 2.78Å; I48-E124 PolarHBondContact N-OE2 3.27Å; I51-E124 VanDerWaalsContact CD1-CD 3.45Å; I51-E124 HydrophobicContact CD1-CG 4.19Å; I51-E124 WeakPolarHBondContact CD1-OE1 3.4Å; I120-E124 HydrophobicContact CG2-CG 4.37Å; I120-E124 PolarHBondContact O-N 3.29Å; E124-G126 VanDerWaalsContact C-N 3.26Å; E124-G126 PolarHBondContact O-N 2.85Å; E124-S127 PolarHBondContact O-N 2.72Å; E124-S127 VanDerWaalsContact O-N 3.13Å; E124-S127 PolarHBondContact O-OG 3.24Å
125I78.7Confident80.4Confident0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-70-26.2175.4-63165000111.3I48 L121 D123 S127 F128 M264 Y265 T268I48-I125 HydrophobicContact CD1-CG1 4.13Å; L121-I125 WeakPolarHBondContact O-CD1 3.34Å; L121-I125 VanDerWaalsContact O-CG1 3.26Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.26Å; D123-I125 VanDerWaalsContact C-N 3.31Å; D123-I125 PolarHBondContact O-N 3.42Å; I125-S127 PolarHBondContact O-N 2.86Å; I125-F128 WeakPolarHBondContact O-CB 3.49Å; I125-F128 PolarHBondContact O-N 3.45Å; I125-F128 VanDerWaalsContact O-N 3.13Å; I125-M264 HydrophobicContact CD1-CB 4.39Å; I125-Y265 HydrophobicContact CG2-CD1 4.27Å; I125-Y265 HydrophobicContact CG2-CD2 3.67Å; I125-Y265 HydrophobicContact CG2-CE1 4.1Å; I125-Y265 HydrophobicContact CG2-CE2 3.49Å; I125-Y265 VanDerWaalsContact CG2-CE2 3.49Å; I125-Y265 HydrophobicContact CG2-CG 4.05Å; I125-T268 HydrophobicContact CD1-CG2 3.83Å; I125-T268 WeakPolarHBondContact CD1-OG1 3.42Å
126G78.5Confident79.8Confident48 Ų4850.2 Ų50.250%0.49527%0.266SS..Hα-helixtrans-58.4-30.4170.500000112.7L122 D123 E124 F128L122-G126 PolarHBondContact O-N 3.36Å; L122-G126 VanDerWaalsContact O-N 3.13Å; D123-G126 WeakPolarHBondContact O-CA 3.27Å; D123-G126 PolarHBondContact O-N 3.38Å; E124-G126 VanDerWaalsContact C-N 3.26Å; E124-G126 PolarHBondContact O-N 2.85Å; G126-F128 VanDerWaalsContact C-N 3.28Å; G126-F128 PolarHBondContact O-N 3.11Å
127S77.1Confident79Confident48 Ų4847.8 Ų47.834%0.33626%0.258SS..THydrogen-bonded Turntrans-859.3178.673.70000115D123 E124 I125 D129 N130 L131D123-S127 PolarHBondContact O-N 3.42Å; E124-S127 PolarHBondContact O-N 2.72Å; E124-S127 VanDerWaalsContact O-N 3.13Å; E124-S127 PolarHBondContact O-OG 3.24Å; I125-S127 PolarHBondContact O-N 2.86Å; S127-D129 PolarHBondContact O-N 3.47Å; S127-N130 PolarHBondContact O-N 3.42Å; S127-L131 PolarHBondContact O-N 2.9Å; S127-L131 WeakPolarHBondContact OG-CD1 3.49Å
128F77.5Confident78.3Confident4 Ų451 Ų512%0.01827%0.271CS..Hα-helixtrans-60.8-45.5-169-167.6-98.8000115F42 I44 I125 G126 N130 L131 I132 A257 E260 R261 M264F42-F128 HydrophobicContact CE1-CD2 4.3Å; F42-F128 AromaticContact CE1-CE2 3.81Å; F42-F128 HydrophobicContact CE1-CE2 3.81Å; F42-F128 HydrophobicContact CE1-CZ 4.47Å; F42-F128 HydrophobicContact CZ-CE2 4.42Å; I44-F128 HydrophobicContact CD1-CB 4.13Å; I44-F128 HydrophobicContact CD1-CD2 3.48Å; I44-F128 VanDerWaalsContact CD1-CD2 3.48Å; I44-F128 HydrophobicContact CD1-CE2 4.26Å; I44-F128 HydrophobicContact CD1-CG 4.13Å; I125-F128 WeakPolarHBondContact O-CB 3.49Å; I125-F128 PolarHBondContact O-N 3.45Å; I125-F128 VanDerWaalsContact O-N 3.13Å; G126-F128 VanDerWaalsContact C-N 3.28Å; G126-F128 PolarHBondContact O-N 3.11Å; F128-N130 PolarHBondContact O-N 3.46Å; F128-L131 PolarHBondContact O-N 3.11Å; F128-I132 HydrophobicContact CD1-CD1 3.78Å; F128-I132 HydrophobicContact CD1-CG1 4.15Å; F128-I132 HydrophobicContact CE1-CD1 3.06Å; F128-I132 HydrophobicContact CE1-CG1 3.82Å; F128-I132 HydrophobicContact CE2-CD1 4.28Å; F128-I132 HydrophobicContact CE2-CG1 4.45Å; F128-I132 HydrophobicContact CZ-CD1 3.34Å; F128-I132 HydrophobicContact CZ-CG1 3.94Å; F128-I132 WeakPolarHBondContact O-CB 3.2Å; F128-I132 PolarHBondContact O-N 3.46Å; F128-A257 WeakPolarHBondContact CE1-O 3.12Å; F128-E260 HydrophobicContact CE1-CB 3.83Å; F128-E260 HydrophobicContact CZ-CB 3.53Å; F128-R261 HydrophobicContact CD1-CB 3.86Å; F128-R261 HydrophobicContact CE1-CB 4.06Å; F128-M264 HydrophobicContact CE2-CG 4.26Å
129D74.1Confident77.4Confident65 Ų6549.4 Ų49.435%0.34827%0.265SS..Hα-helixtrans-60.9-44.8-177.5-71.1-16.2000111.6S127 L131 M133 R261S127-D129 PolarHBondContact O-N 3.47Å; D129-L131 VanDerWaalsContact C-N 3.35Å; D129-L131 PolarHBondContact O-N 2.84Å; D129-M133 WeakPolarHBondContact O-CG 3.43Å; D129-M133 PolarHBondContact O-N 3.03Å; D129-M133 VanDerWaalsContact O-N 3.09Å; D129-R261 VanDerWaalsContact CG-CZ 3.4Å; D129-R261 IonicContact OD1-CZ 3.2Å; D129-R261 IonicContact OD1-NE 3.39Å; D129-R261 IonicContact OD1-NH1 3.59Å; D129-R261 IonicContact OD1-NH2 3.77Å; D129-R261 PolarHBondContact OD1-NH2 2.67Å; D129-R261 IonicContact OD2-CZ 3Å; D129-R261 IonicContact OD2-NH1 2.66Å; D129-R261 PolarHBondContact OD2-NH1 2.97Å; D129-R261 IonicContact OD2-NH2 2.86Å; D129-R261 PolarHBondContact OD2-NH2 2.91Å
130N74.1Confident76.7Confident122 Ų12245.4 Ų45.465%0.65224%0.244SC*.Hα-helixtrans-65.7-37.9-178-77.6-14000112.1S127 F128 M133 I134S127-N130 PolarHBondContact O-N 3.42Å; F128-N130 PolarHBondContact O-N 3.46Å; N130-M133 WeakPolarHBondContact O-CB 3.5Å; N130-I134 WeakPolarHBondContact O-CD1 3.41Å; N130-I134 VanDerWaalsContact O-CG1 3.31Å; N130-I134 WeakPolarHBondContact O-CG1 3.19Å; N130-I134 PolarHBondContact O-N 2.86Å
131L74.4Confident75.8Confident36 Ų3648.8 Ų48.819%0.18826%0.258CS..Hα-helixtrans-79.6-33.9-178.2-72.5169.3000112.3F42 I43 I44 S127 F128 D129 M133 I134 H135F42-L131 HydrophobicContact CE2-CB 4.45Å; F42-L131 WeakPolarHBondContact CE2-O 3.25Å; F42-L131 HydrophobicContact CZ-CB 4.22Å; I43-L131 HydrophobicContact CD1-CD2 4.49Å; I43-L131 HydrophobicContact CG2-CD2 4.43Å; I44-L131 HydrophobicContact CD1-CB 3.73Å; I44-L131 HydrophobicContact CD1-CD1 3.65Å; I44-L131 HydrophobicContact CD1-CG 4.29Å; I44-L131 HydrophobicContact CG1-CB 3.88Å; I44-L131 HydrophobicContact CG1-CD1 3.33Å; I44-L131 HydrophobicContact CG1-CG 4.21Å; S127-L131 PolarHBondContact O-N 2.9Å; S127-L131 WeakPolarHBondContact OG-CD1 3.49Å; F128-L131 PolarHBondContact O-N 3.11Å; D129-L131 VanDerWaalsContact C-N 3.35Å; D129-L131 PolarHBondContact O-N 2.84Å; L131-M133 VanDerWaalsContact C-N 3.34Å; L131-I134 HydrophobicContact CD2-CD1 4.26Å; L131-I134 PolarHBondContact O-N 3.28Å; L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 3.12Å
132I75.3Confident74.9Confident0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-58.4-48169.4-86.8-160.5000110.4F42 F128 I134 H135 F136 L253 A257F42-I132 HydrophobicContact CE1-CG1 4.18Å; F42-I132 HydrophobicContact CE2-CG1 3.93Å; F42-I132 HydrophobicContact CZ-CB 4.29Å; F42-I132 HydrophobicContact CZ-CG1 3.41Å; F42-I132 VanDerWaalsContact CZ-CG1 3.41Å; F128-I132 HydrophobicContact CD1-CD1 3.78Å; F128-I132 HydrophobicContact CD1-CG1 4.15Å; F128-I132 HydrophobicContact CE1-CD1 3.06Å; F128-I132 HydrophobicContact CE1-CG1 3.82Å; F128-I132 HydrophobicContact CE2-CD1 4.28Å; F128-I132 HydrophobicContact CE2-CG1 4.45Å; F128-I132 HydrophobicContact CZ-CD1 3.34Å; F128-I132 HydrophobicContact CZ-CG1 3.94Å; F128-I132 WeakPolarHBondContact O-CB 3.2Å; F128-I132 PolarHBondContact O-N 3.46Å; I132-I134 VanDerWaalsContact C-N 3.32Å; I132-I134 PolarHBondContact O-N 2.97Å; I132-H135 PolarHBondContact O-N 2.81Å; I132-H135 VanDerWaalsContact O-N 3.15Å; I132-F136 HydrophobicContact CG2-CD2 3.94Å; I132-F136 HydrophobicContact CG2-CE2 4.1Å; I132-F136 WeakPolarHBondContact O-CD2 3.4Å; I132-F136 PolarHBondContact O-N 2.86Å; I132-L253 HydrophobicContact CG2-CD1 3.31Å; I132-L253 HydrophobicContact CG2-CD2 4.39Å; I132-L253 HydrophobicContact CG2-CG 3.77Å; I132-A257 HydrophobicContact CD1-CB 4.2Å; I132-A257 HydrophobicContact CG2-CB 4.37Å
133M73.1Confident73.9Confident81 Ų8150.6 Ų50.640%0.39927%0.265SS..Hα-helixtrans-52.1-49174.2-82.8-76.4-61.700111.9D129 N130 L131 H135 K137 F179 L253D129-M133 WeakPolarHBondContact O-CG 3.43Å; D129-M133 PolarHBondContact O-N 3.03Å; D129-M133 VanDerWaalsContact O-N 3.09Å; N130-M133 WeakPolarHBondContact O-CB 3.5Å; L131-M133 VanDerWaalsContact C-N 3.34Å; M133-H135 PolarHBondContact O-N 3.24Å; M133-K137 WeakPolarHBondContact O-CB 3.39Å; M133-K137 PolarHBondContact O-N 3.39Å; M133-F179 HydrophobicContact CE-CD1 3.76Å; M133-F179 HydrophobicContact CE-CE1 3.95Å; M133-F179 HydrophobicContact SD-CD1 3.73Å; M133-F179 HydrophobicContact SD-CE1 4.07Å; M133-L253 HydrophobicContact CB-CD2 4.43Å; M133-L253 HydrophobicContact CG-CD2 3.59Å; M133-L253 HydrophobicContact SD-CD2 2.98Å; M133-L253 WeakPolarHBondContact SD-CD2 3.42Å; M133-L253 HydrophobicContact SD-CG 4.47Å
134I72.8Confident72.7Confident76 Ų7650 Ų5039%0.3926%0.258SS..Hα-helixtrans-64.3-39.4-179.9-69163.8000111.6N130 L131 I132 K137 K138N130-I134 WeakPolarHBondContact O-CD1 3.41Å; N130-I134 VanDerWaalsContact O-CG1 3.31Å; N130-I134 WeakPolarHBondContact O-CG1 3.19Å; N130-I134 PolarHBondContact O-N 2.86Å; L131-I134 HydrophobicContact CD2-CD1 4.26Å; L131-I134 PolarHBondContact O-N 3.28Å; I132-I134 VanDerWaalsContact C-N 3.32Å; I132-I134 PolarHBondContact O-N 2.97Å; I134-K137 WeakPolarHBondContact O-CB 3.44Å; I134-K137 PolarHBondContact O-N 3.16Å; I134-K138 PolarHBondContact O-N 3.19Å
135H75.4Confident71.9Confident9 Ų950.5 Ų50.54%0.04227%0.266CS..Hα-helixtrans-66.4-48.6-179.8178.872.6000112.2L34 F42 L131 I132 M133 K137 K138 I139L34-H135 WeakPolarHBondContact CD2-CD2 3.41Å; L34-H135 VanDerWaalsContact CD2-NE2 3.26Å; L34-H135 WeakPolarHBondContact CD2-NE2 3.15Å; F42-H135 HydrophobicContact CD2-CB 3.54Å; F42-H135 AromaticContact CD2-CG 3.55Å; F42-H135 AromaticContact CD2-ND1 3.92Å; F42-H135 HydrophobicContact CE2-CB 3.57Å; L131-H135 WeakPolarHBondContact O-CB 3.48Å; L131-H135 PolarHBondContact O-N 3.12Å; I132-H135 PolarHBondContact O-N 2.81Å; I132-H135 VanDerWaalsContact O-N 3.15Å; M133-H135 PolarHBondContact O-N 3.24Å; H135-K137 VanDerWaalsContact C-N 3.28Å; H135-K137 PolarHBondContact O-N 2.91Å; H135-K138 PolarHBondContact O-N 3.1Å; H135-I139 VanDerWaalsContact NE2-CD1 3.29Å; H135-I139 WeakPolarHBondContact NE2-CD1 3.29Å; H135-I139 PolarHBondContact O-N 2.78Å; H135-I139 VanDerWaalsContact O-N 3.09Å
136F74.5Confident70.8Confident1 Ų160.6 Ų60.60%0.00431%0.311CS..Hα-helixtrans-61.3-39.6175.2-83.4-79.6000111.3I132 K138 I139 F140 F160 I163 W178 L253 V256I132-F136 HydrophobicContact CG2-CD2 3.94Å; I132-F136 HydrophobicContact CG2-CE2 4.1Å; I132-F136 WeakPolarHBondContact O-CD2 3.4Å; I132-F136 PolarHBondContact O-N 2.86Å; F136-K138 VanDerWaalsContact C-N 3.34Å; F136-K138 PolarHBondContact O-N 3.2Å; F136-I139 PolarHBondContact O-N 3.34Å; F136-F140 HydrophobicContact CB-CD2 4.39Å; F136-F140 HydrophobicContact CB-CE2 4.07Å; F136-F140 HydrophobicContact CD1-CE2 4.42Å; F136-F140 WeakPolarHBondContact O-CD2 3.44Å; F136-F140 WeakPolarHBondContact O-CG 3.27Å; F136-F140 PolarHBondContact O-N 3.12Å; F136-F160 HydrophobicContact CD1-CE1 4.04Å; F136-F160 AromaticContact CE1-CE1 4Å; F136-F160 HydrophobicContact CE1-CE1 4Å; F136-I163 HydrophobicContact CE1-CD1 4.11Å; F136-I163 HydrophobicContact CZ-CD1 4.05Å; F136-W178 HydrophobicContact CD1-CE3 4.16Å; F136-W178 AromaticContact CD1-CZ3 3.98Å; F136-W178 HydrophobicContact CD1-CZ3 3.98Å; F136-W178 HydrophobicContact CE1-CE3 4.02Å; F136-W178 HydrophobicContact CE1-CH2 4.15Å; F136-W178 AromaticContact CE1-CZ3 3.37Å; F136-W178 HydrophobicContact CE1-CZ3 3.37Å; F136-W178 AromaticContact CZ-CZ3 3.86Å; F136-W178 HydrophobicContact CZ-CZ3 3.86Å; F136-L253 HydrophobicContact CB-CD1 4.05Å; F136-L253 HydrophobicContact CD2-CD1 3.1Å; F136-L253 HydrophobicContact CE2-CD1 3.57Å; F136-L253 HydrophobicContact CG-CD1 3.66Å; F136-L253 HydrophobicContact CZ-CD1 4.48Å; F136-V256 HydrophobicContact CE2-CG1 4.42Å
137K70.9Confident69.8Low98 Ų9865.7 Ų65.743%0.42633%0.326SS..Hα-helixtrans-55.6-45.3174-173.4177.7177.1179.40112.6M133 I134 H135 F140 E141M133-K137 WeakPolarHBondContact O-CB 3.39Å; M133-K137 PolarHBondContact O-N 3.39Å; I134-K137 WeakPolarHBondContact O-CB 3.44Å; I134-K137 PolarHBondContact O-N 3.16Å; H135-K137 VanDerWaalsContact C-N 3.28Å; H135-K137 PolarHBondContact O-N 2.91Å; K137-F140 PolarHBondContact O-N 3.21Å; K137-E141 VanDerWaalsContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact CE-OE1 3.41Å; K137-E141 WeakPolarHBondContact O-CG 3.36Å; K137-E141 PolarHBondContact O-N 3.11Å
138K72.3Confident69Low77 Ų7765.1 Ų65.134%0.33532%0.319SS..Hα-helixtrans-65.3-38.4176.6-73.5-175.5178.8-173.50113.5E40 I134 H135 F136 F140 E141 K142E40-K138 VanDerWaalsContact OE2-CD 3.23Å; E40-K138 WeakPolarHBondContact OE2-CD 3.26Å; I134-K138 PolarHBondContact O-N 3.19Å; H135-K138 PolarHBondContact O-N 3.1Å; F136-K138 VanDerWaalsContact C-N 3.34Å; F136-K138 PolarHBondContact O-N 3.2Å; K138-F140 VanDerWaalsContact C-N 3.32Å; K138-E141 PolarHBondContact O-N 3.01Å; K138-K142 PolarHBondContact O-N 3.08Å
139I71.3Confident68.6Low5 Ų569.7 Ų69.73%0.02634%0.344CS..Hα-helixtrans-60.7-46174.2-69173.7000109.8H135 F136 E141 K142 I143 Y156 Y159 F160H135-I139 VanDerWaalsContact NE2-CD1 3.29Å; H135-I139 WeakPolarHBondContact NE2-CD1 3.29Å; H135-I139 PolarHBondContact O-N 2.78Å; H135-I139 VanDerWaalsContact O-N 3.09Å; F136-I139 PolarHBondContact O-N 3.34Å; I139-E141 PolarHBondContact O-N 2.98Å; I139-K142 PolarHBondContact O-N 3.05Å; I139-I143 HydrophobicContact CG2-CD1 3.88Å; I139-I143 WeakPolarHBondContact O-CG1 3.47Å; I139-I143 PolarHBondContact O-N 3.48Å; I139-Y156 HydrophobicContact CG2-CD1 3.98Å; I139-Y156 HydrophobicContact CG2-CE1 3.99Å; I139-Y159 HydrophobicContact CD1-CE1 4.3Å; I139-F160 HydrophobicContact CG2-CE2 4.22Å; I139-F160 HydrophobicContact CG2-CZ 3.68Å
140F70.2Confident68.2Low15 Ų1571 Ų717%0.06636%0.356CS..Hα-helixtrans-63.6-39.7178.2-69.6-56.7000112.5F136 K137 K138 I143 H144 F160 W178 F179 W199F136-F140 HydrophobicContact CB-CD2 4.39Å; F136-F140 HydrophobicContact CB-CE2 4.07Å; F136-F140 HydrophobicContact CD1-CE2 4.42Å; F136-F140 WeakPolarHBondContact O-CD2 3.44Å; F136-F140 WeakPolarHBondContact O-CG 3.27Å; F136-F140 PolarHBondContact O-N 3.12Å; K137-F140 PolarHBondContact O-N 3.21Å; K138-F140 VanDerWaalsContact C-N 3.32Å; F140-I143 PolarHBondContact O-N 3.28Å; F140-H144 PolarHBondContact O-N 2.78Å; F140-F160 HydrophobicContact CD1-CZ 4.12Å; F140-F160 HydrophobicContact CE1-CE1 4Å; F140-F160 HydrophobicContact CE1-CE2 4.17Å; F140-F160 AromaticContact CE1-CZ 3.53Å; F140-F160 HydrophobicContact CE1-CZ 3.53Å; F140-F160 AromaticContact CZ-CE1 3.95Å; F140-F160 HydrophobicContact CZ-CE1 3.95Å; F140-F160 AromaticContact CZ-CZ 3.93Å; F140-F160 HydrophobicContact CZ-CZ 3.93Å; F140-W178 HydrophobicContact CZ-CB 4.32Å; F140-W178 HydrophobicContact CZ-CD2 4.27Å; F140-W178 HydrophobicContact CZ-CG 4.17Å; F140-F179 HydrophobicContact CD2-CE2 4.35Å; F140-F179 HydrophobicContact CD2-CZ 4.04Å; F140-F179 HydrophobicContact CE2-CE2 4.32Å; F140-F179 HydrophobicContact CE2-CZ 4.12Å; F140-W199 AromaticContact CD1-NE1 3.96Å; F140-W199 HydrophobicContact CE1-CZ2 4.25Å
141E67.7Low67.9Low114 Ų11471 Ų7153%0.53336%0.356SS..Hα-helixtrans-62.9-40.2173.8-75.4172.6-172.700112.4K137 K138 I139 H144 S145K137-E141 VanDerWaalsContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact CE-OE1 3.41Å; K137-E141 WeakPolarHBondContact O-CG 3.36Å; K137-E141 PolarHBondContact O-N 3.11Å; K138-E141 PolarHBondContact O-N 3.01Å; I139-E141 PolarHBondContact O-N 2.98Å; E141-H144 WeakPolarHBondContact O-CB 3.31Å; E141-H144 PolarHBondContact O-N 3.12Å; E141-S145 PolarHBondContact O-N 3.16Å
142K66.7Low67.5Low64 Ų6473.4 Ų73.428%0.27837%0.366SS..Hα-helixtrans-62.7-47.9175.8-91.3-172.6178.9-179.20112S38 E40 K138 I139 H144 S145 I148S38-K142 PolarHBondContact O-NZ 2.69Å; S38-K142 VanDerWaalsContact O-NZ 3.12Å; E40-K142 HydrophobicContact CG-CD 4.42Å; K138-K142 PolarHBondContact O-N 3.08Å; I139-K142 PolarHBondContact O-N 3.05Å; K142-H144 PolarHBondContact O-N 2.94Å; K142-S145 WeakPolarHBondContact O-CB 3.32Å; K142-S145 PolarHBondContact O-N 3.07Å; K142-S145 PolarHBondContact O-OG 3.28Å; K142-I148 VanDerWaalsContact C-CD1 3.49Å; K142-I148 WeakPolarHBondContact O-CD1 3.31Å
143I63.4Low67Low27 Ų2776.1 Ų76.114%0.13838%0.38CS..Hα-helixtrans-52.7-29.3177.7-70.1165.9000111.3I139 F140 I148 L153 Y156 F160I139-I143 HydrophobicContact CG2-CD1 3.88Å; I139-I143 WeakPolarHBondContact O-CG1 3.47Å; I139-I143 PolarHBondContact O-N 3.48Å; F140-I143 PolarHBondContact O-N 3.28Å; I143-I148 VanDerWaalsContact CA-CD1 3.47Å; I143-L153 HydrophobicContact CG2-CD1 4.02Å; I143-Y156 HydrophobicContact CD1-CD1 4.15Å; I143-Y156 HydrophobicContact CD1-CG 4.13Å; I143-Y156 HydrophobicContact CG1-CD1 4.2Å; I143-Y156 HydrophobicContact CG1-CD2 4.16Å; I143-Y156 HydrophobicContact CG1-CG 3.98Å; I143-F160 HydrophobicContact CD1-CE2 3.5Å; I143-F160 VanDerWaalsContact CD1-CE2 3.5Å; I143-F160 HydrophobicContact CD1-CZ 4.09Å
144H58.2Low66.7Low113 Ų11375 Ų7552%0.52338%0.384SS..Hα-helixtrans-82.8-20.6177.9-161.769.1000114.9F140 E141 K142 K146F140-H144 PolarHBondContact O-N 2.78Å; E141-H144 WeakPolarHBondContact O-CB 3.31Å; E141-H144 PolarHBondContact O-N 3.12Å; K142-H144 PolarHBondContact O-N 2.94Å; H144-K146 PolarHBondContact O-N 3.45Å
145S62.8Low66.6Low57 Ų5776.4 Ų76.440%0.39939%0.391SS..SBendtrans-60.4126.9178.771.10000110.1E141 K142 D147 I148E141-S145 PolarHBondContact O-N 3.16Å; K142-S145 WeakPolarHBondContact O-CB 3.32Å; K142-S145 PolarHBondContact O-N 3.07Å; K142-S145 PolarHBondContact O-OG 3.28Å; S145-D147 PolarHBondContact O-N 3.08Å; S145-I148 PolarHBondContact O-N 2.82Å
146K56.1Low66.3Low213 Ų21376.5 Ų76.593%0.92639%0.391SS*.THydrogen-bonded Turntrans-60.7-9.6-173.8-80.4-176.4175.81780114.6H144H144-K146 PolarHBondContact O-N 3.45Å
147D58.2Low65.9Low155 Ų15580 Ų8083%0.82941%0.406SS*.THydrogen-bonded Turntrans-96.29.5-175.5-64.4-31.1000114S145 N149S145-D147 PolarHBondContact O-N 3.08Å; D147-N149 PolarHBondContact O-N 3.38Å
148I60.7Low65.8Low35 Ų3579.5 Ų79.518%0.17941%0.409CS..  trans-73.7123.4177.9-81178.8000111.7K142 I143 S145 Q152 L153 Y156K142-I148 VanDerWaalsContact C-CD1 3.49Å; K142-I148 WeakPolarHBondContact O-CD1 3.31Å; I143-I148 VanDerWaalsContact CA-CD1 3.47Å; S145-I148 PolarHBondContact O-N 2.82Å; I148-Q152 HydrophobicContact CG2-CB 4.14Å; I148-L153 HydrophobicContact CG2-CB 3.87Å; I148-L153 HydrophobicContact CG2-CD1 4.3Å; I148-Y156 HydrophobicContact CD1-CE2 4.21Å
149N67.9Low65.8Low101 Ų10176.6 Ų76.654%0.5440%0.396SS..  trans-65.5140.4171.3-125.22.6000110D147 D151 Q152 L153D147-N149 PolarHBondContact O-N 3.38Å; N149-D151 PolarHBondContact O-N 3.1Å; N149-D151 VanDerWaalsContact O-N 3.11Å; N149-Q152 HydrophobicContact CB-CG 4.47Å; N149-Q152 WeakPolarHBondContact O-CA 3.21Å; N149-Q152 WeakPolarHBondContact O-CB 3.34Å; N149-Q152 PolarHBondContact O-N 3.4Å; N149-L153 PolarHBondContact O-N 3.22Å; N149-L153 VanDerWaalsContact O-N 3.11Å
150P66.8Low65.8Low93 Ų9376.8 Ų76.860%0.60440%0.396SS*.Hα-helixtrans-56.5-31.2-179.918.5-29.7000113.4L153 A154P150-L153 WeakPolarHBondContact O-CB 3.32Å; P150-L153 PolarHBondContact O-N 2.92Å; P150-A154 PolarHBondContact O-N 3.25Å; P150-A154 VanDerWaalsContact O-N 3.08Å
151D67.7Low65.8Low121 Ų12178.3 Ų78.365%0.64740%0.404SS*.Hα-helixtrans-65.7-37.4174-65.3-24.5000112.7N149 A154 I155N149-D151 PolarHBondContact O-N 3.1Å; N149-D151 VanDerWaalsContact O-N 3.11Å; D151-A154 PolarHBondContact O-N 2.9Å; D151-I155 WeakPolarHBondContact O-CG1 3.47Å; D151-I155 PolarHBondContact O-N 3.41Å
152Q66.1Low66Low87 Ų8776 Ų7641%0.40740%0.395SS..Hα-helixtrans-69.2-39.1174.7-75.8-176.7-15.900111.2I148 N149 A154 I155 Y156I148-Q152 HydrophobicContact CG2-CB 4.14Å; N149-Q152 HydrophobicContact CB-CG 4.47Å; N149-Q152 WeakPolarHBondContact O-CA 3.21Å; N149-Q152 WeakPolarHBondContact O-CB 3.34Å; N149-Q152 PolarHBondContact O-N 3.4Å; Q152-A154 VanDerWaalsContact C-N 3.29Å; Q152-A154 PolarHBondContact O-N 3.21Å; Q152-I155 WeakPolarHBondContact O-CB 3.41Å; Q152-I155 PolarHBondContact O-N 3.28Å; Q152-I155 VanDerWaalsContact O-N 3.12Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.41Å; Q152-Y156 PolarHBondContact O-N 3.49Å; Q152-Y156 VanDerWaalsContact O-N 3.13Å
153L65Low66.3Low57 Ų5773 Ų7330%0.29838%0.382SS..Hα-helixtrans-60-41.2176.9-16869.9000111.5I143 I148 N149 P150 I155 Y156 F157I143-L153 HydrophobicContact CG2-CD1 4.02Å; I148-L153 HydrophobicContact CG2-CB 3.87Å; I148-L153 HydrophobicContact CG2-CD1 4.3Å; N149-L153 PolarHBondContact O-N 3.22Å; N149-L153 VanDerWaalsContact O-N 3.11Å; P150-L153 WeakPolarHBondContact O-CB 3.32Å; P150-L153 PolarHBondContact O-N 2.92Å; L153-I155 VanDerWaalsContact C-N 3.3Å; L153-I155 PolarHBondContact O-N 3.2Å; L153-Y156 PolarHBondContact O-N 3.26Å; L153-F157 HydrophobicContact CD1-CE2 3.99Å; L153-F157 HydrophobicContact CD2-CE2 3.8Å; L153-F157 HydrophobicContact CG-CD2 3.91Å; L153-F157 HydrophobicContact CG-CE2 3.52Å; L153-F157 HydrophobicContact CG-CZ 4.47Å; L153-F157 VanDerWaalsContact O-CD2 3.22Å; L153-F157 WeakPolarHBondContact O-CD2 3.1Å; L153-F157 PolarHBondContact O-N 3.07Å
154A67Low66.6Low57 Ų5772.2 Ų72.247%0.47138%0.378SS..Hα-helixtrans-61.3-36.3175.300000112.8P150 D151 Q152 F157 N158P150-A154 PolarHBondContact O-N 3.25Å; P150-A154 VanDerWaalsContact O-N 3.08Å; D151-A154 PolarHBondContact O-N 2.9Å; Q152-A154 VanDerWaalsContact C-N 3.29Å; Q152-A154 PolarHBondContact O-N 3.21Å; A154-F157 PolarHBondContact O-N 2.87Å; A154-N158 WeakPolarHBondContact O-CB 3.35Å; A154-N158 PolarHBondContact O-N 2.9Å
155I69.4Low67Low106 Ų10673.3 Ų73.354%0.54438%0.377SS..Hα-helixtrans-66.2-44.4176.5-64.4166.4000110.9L37 D151 Q152 L153 N158 Y159L37-I155 HydrophobicContact CD2-CG2 4.05Å; D151-I155 WeakPolarHBondContact O-CG1 3.47Å; D151-I155 PolarHBondContact O-N 3.41Å; Q152-I155 WeakPolarHBondContact O-CB 3.41Å; Q152-I155 PolarHBondContact O-N 3.28Å; Q152-I155 VanDerWaalsContact O-N 3.12Å; L153-I155 VanDerWaalsContact C-N 3.3Å; L153-I155 PolarHBondContact O-N 3.2Å; I155-N158 PolarHBondContact O-N 3.17Å; I155-Y159 WeakPolarHBondContact O-CB 3.45Å; I155-Y159 PolarHBondContact O-N 3.48Å
156Y68.4Low67.3Low10 Ų1074.1 Ų74.14%0.03938%0.375CS..Hα-helixtrans-62.3-42.1175.8-75.4-71.3000112.3L37 S38 I139 I143 I148 Q152 L153 Y159 F160L37-Y156 HydrophobicContact CB-CE1 4.05Å; L37-Y156 HydrophobicContact CD2-CD1 3.3Å; L37-Y156 HydrophobicContact CD2-CE1 3.53Å; L37-Y156 HydrophobicContact CD2-CG 3.97Å; L37-Y156 HydrophobicContact CG-CE1 4.4Å; S38-Y156 PolarHBondContact OG-OH 3.32Å; I139-Y156 HydrophobicContact CG2-CD1 3.98Å; I139-Y156 HydrophobicContact CG2-CE1 3.99Å; I143-Y156 HydrophobicContact CD1-CD1 4.15Å; I143-Y156 HydrophobicContact CD1-CG 4.13Å; I143-Y156 HydrophobicContact CG1-CD1 4.2Å; I143-Y156 HydrophobicContact CG1-CD2 4.16Å; I143-Y156 HydrophobicContact CG1-CG 3.98Å; I148-Y156 HydrophobicContact CD1-CE2 4.21Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.41Å; Q152-Y156 PolarHBondContact O-N 3.49Å; Q152-Y156 VanDerWaalsContact O-N 3.13Å; L153-Y156 PolarHBondContact O-N 3.26Å; Y156-Y159 WeakPolarHBondContact O-CB 3.19Å; Y156-Y159 PolarHBondContact O-N 2.71Å; Y156-F160 WeakPolarHBondContact O-CD2 3.43Å; Y156-F160 PolarHBondContact O-N 2.89Å; Y156-F160 VanDerWaalsContact O-N 3.09Å
157F67.7Low68Low74 Ų7464.7 Ų64.733%0.32533%0.333SS..Hα-helixtrans-63.6-45.4177.4-80.4-56.4000112.5L153 A154 Y159 F160 E161 W199 V202L153-F157 HydrophobicContact CD1-CE2 3.99Å; L153-F157 HydrophobicContact CD2-CE2 3.8Å; L153-F157 HydrophobicContact CG-CD2 3.91Å; L153-F157 HydrophobicContact CG-CE2 3.52Å; L153-F157 HydrophobicContact CG-CZ 4.47Å; L153-F157 VanDerWaalsContact O-CD2 3.22Å; L153-F157 WeakPolarHBondContact O-CD2 3.1Å; L153-F157 PolarHBondContact O-N 3.07Å; A154-F157 PolarHBondContact O-N 2.87Å; F157-Y159 PolarHBondContact O-N 3.07Å; F157-F160 PolarHBondContact O-N 3.45Å; F157-E161 PolarHBondContact O-N 3.42Å; F157-W199 AromaticContact CE1-CH2 3.97Å; F157-W199 HydrophobicContact CE1-CH2 3.97Å; F157-W199 HydrophobicContact CE1-CZ3 4.22Å; F157-V202 HydrophobicContact CE1-CG1 3.97Å; F157-V202 HydrophobicContact CZ-CG1 3.7Å; F157-V202 HydrophobicContact CZ-CG2 4.43Å
158N68.6Low68.4Low89 Ų8963.4 Ų63.448%0.47632%0.32SS..Hα-helixtrans-63.1-32.6177.1-164.415.8000111.7A154 I155 N162A154-N158 WeakPolarHBondContact O-CB 3.35Å; A154-N158 PolarHBondContact O-N 2.9Å; I155-N158 PolarHBondContact O-N 3.17Å; N158-N162 PolarHBondContact O-N 3.39Å; N158-N162 VanDerWaalsContact O-N 3.11Å; N158-N162 PolarHBondContact O-ND2 3.5Å
159Y72.2Confident68.8Low16 Ų1661.7 Ų61.76%0.06331%0.312CS..Hα-helixtrans-63.6-51.1174172.9-116.3000112.7F33 P35 L37 I139 I155 Y156 F157 E161 N162 I163F33-Y159 VanDerWaalsContact O-CE2 3.29Å; F33-Y159 WeakPolarHBondContact O-CE2 3.49Å; F33-Y159 PolarHBondContact O-OH 3.48Å; P35-Y159 HydrophobicContact CG-CD2 3.83Å; P35-Y159 HydrophobicContact CG-CE2 3.68Å; L37-Y159 HydrophobicContact CD1-CD1 3.56Å; L37-Y159 HydrophobicContact CD1-CD2 3.56Å; L37-Y159 HydrophobicContact CD1-CE1 3.77Å; L37-Y159 HydrophobicContact CD1-CE2 3.82Å; L37-Y159 HydrophobicContact CD1-CG 3.41Å; L37-Y159 VanDerWaalsContact CD1-CG 3.41Å; L37-Y159 HydrophobicContact CD2-CD1 4.3Å; L37-Y159 HydrophobicContact CD2-CG 4.21Å; L37-Y159 HydrophobicContact CG-CG 4.46Å; I139-Y159 HydrophobicContact CD1-CE1 4.3Å; I155-Y159 WeakPolarHBondContact O-CB 3.45Å; I155-Y159 PolarHBondContact O-N 3.48Å; Y156-Y159 WeakPolarHBondContact O-CB 3.19Å; Y156-Y159 PolarHBondContact O-N 2.71Å; F157-Y159 PolarHBondContact O-N 3.07Å; Y159-E161 VanDerWaalsContact C-N 3.33Å; Y159-E161 PolarHBondContact O-N 3.16Å; Y159-N162 PolarHBondContact O-N 3.21Å; Y159-I163 HydrophobicContact CD1-CD1 4.26Å; Y159-I163 HydrophobicContact CD2-CD1 4.4Å; Y159-I163 HydrophobicContact CE1-CD1 3.65Å; Y159-I163 HydrophobicContact CE2-CD1 3.75Å; Y159-I163 HydrophobicContact CE2-CG1 4.16Å; Y159-I163 PolarHBondContact O-N 3.45Å; Y159-I163 VanDerWaalsContact O-N 3.17Å
160F71.8Confident68.3Low9 Ų958.1 Ų58.14%0.03929%0.294CS..Hα-helixtrans-63.3-38.2177.2-71.1-60.3000112.6F136 I139 F140 I143 Y156 F157 N162 I163 Q164 W178F136-F160 HydrophobicContact CD1-CE1 4.04Å; F136-F160 AromaticContact CE1-CE1 4Å; F136-F160 HydrophobicContact CE1-CE1 4Å; I139-F160 HydrophobicContact CG2-CE2 4.22Å; I139-F160 HydrophobicContact CG2-CZ 3.68Å; F140-F160 HydrophobicContact CD1-CZ 4.12Å; F140-F160 HydrophobicContact CE1-CE1 4Å; F140-F160 HydrophobicContact CE1-CE2 4.17Å; F140-F160 AromaticContact CE1-CZ 3.53Å; F140-F160 HydrophobicContact CE1-CZ 3.53Å; F140-F160 AromaticContact CZ-CE1 3.95Å; F140-F160 HydrophobicContact CZ-CE1 3.95Å; F140-F160 AromaticContact CZ-CZ 3.93Å; F140-F160 HydrophobicContact CZ-CZ 3.93Å; I143-F160 HydrophobicContact CD1-CE2 3.5Å; I143-F160 VanDerWaalsContact CD1-CE2 3.5Å; I143-F160 HydrophobicContact CD1-CZ 4.09Å; Y156-F160 WeakPolarHBondContact O-CD2 3.43Å; Y156-F160 PolarHBondContact O-N 2.89Å; Y156-F160 VanDerWaalsContact O-N 3.09Å; F157-F160 PolarHBondContact O-N 3.45Å; F160-N162 VanDerWaalsContact C-N 3.31Å; F160-N162 PolarHBondContact O-N 3.43Å; F160-I163 PolarHBondContact O-N 3.31Å; F160-Q164 VanDerWaalsContact O-CG 3.31Å; F160-Q164 WeakPolarHBondContact O-CG 3.33Å; F160-Q164 PolarHBondContact O-N 2.77Å; F160-W178 HydrophobicContact CB-CZ2 4Å; F160-W178 AromaticContact CD1-CH2 3.42Å; F160-W178 HydrophobicContact CD1-CH2 3.42Å; F160-W178 VanDerWaalsContact CD1-CH2 3.42Å; F160-W178 AromaticContact CD1-CZ2 3.37Å; F160-W178 HydrophobicContact CD1-CZ2 3.37Å; F160-W178 HydrophobicContact CD1-CZ3 4.09Å; F160-W178 HydrophobicContact CE1-CH2 4.04Å; F160-W178 HydrophobicContact CE1-CZ2 4.17Å; F160-W178 HydrophobicContact CE1-CZ3 4.27Å; F160-W178 HydrophobicContact CG-CH2 4.43Å; F160-W178 HydrophobicContact CG-CZ2 4.07Å
161E69.3Low67.6Low47 Ų4754 Ų5422%0.2227%0.269CS..Hα-helixtrans-59.7-40.5174.5-88.6-158.4157.500112.3F157 Y159 Q164 R165 P207 K208F157-E161 PolarHBondContact O-N 3.42Å; Y159-E161 VanDerWaalsContact C-N 3.33Å; Y159-E161 PolarHBondContact O-N 3.16Å; E161-Q164 PolarHBondContact O-N 3.14Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 2.89Å; E161-P207 HydrophobicContact CG-CB 3.94Å; E161-K208 PolarHBondContact OE1-N 3.43Å; E161-K208 VanDerWaalsContact OE1-N 3.08Å
162N71.6Confident66.6Low66 Ų6650.8 Ų50.835%0.35325%0.251SS..Hα-helixtrans-67.7-41179.1-76.7-30.7000112.5N158 Y159 F160 Q164 R165 Q166N158-N162 PolarHBondContact O-N 3.39Å; N158-N162 VanDerWaalsContact O-N 3.11Å; N158-N162 PolarHBondContact O-ND2 3.5Å; Y159-N162 PolarHBondContact O-N 3.21Å; F160-N162 VanDerWaalsContact C-N 3.31Å; F160-N162 PolarHBondContact O-N 3.43Å; N162-Q164 VanDerWaalsContact C-N 3.35Å; N162-Q164 PolarHBondContact O-N 3.3Å; N162-R165 PolarHBondContact O-N 2.9Å; N162-Q166 WeakPolarHBondContact O-CB 3.44Å; N162-Q166 PolarHBondContact O-N 3.28Å; N162-Q166 VanDerWaalsContact O-N 3.15Å
163I72.6Confident65.8Low1 Ų151.6 Ų51.61%0.00525%0.251CS..Hα-helixtrans-58.4-50173.9-69173.8000109.9F136 Y159 F160 R165 Q166 Y167 W178 V256F136-I163 HydrophobicContact CE1-CD1 4.11Å; F136-I163 HydrophobicContact CZ-CD1 4.05Å; Y159-I163 HydrophobicContact CD1-CD1 4.26Å; Y159-I163 HydrophobicContact CD2-CD1 4.4Å; Y159-I163 HydrophobicContact CE1-CD1 3.65Å; Y159-I163 HydrophobicContact CE2-CD1 3.75Å; Y159-I163 HydrophobicContact CE2-CG1 4.16Å; Y159-I163 PolarHBondContact O-N 3.45Å; Y159-I163 VanDerWaalsContact O-N 3.17Å; F160-I163 PolarHBondContact O-N 3.31Å; I163-R165 VanDerWaalsContact C-N 3.33Å; I163-R165 PolarHBondContact O-N 2.82Å; I163-Q166 PolarHBondContact O-N 3.45Å; I163-Q166 VanDerWaalsContact O-N 3.13Å; I163-Y167 HydrophobicContact CB-CD2 4.46Å; I163-Y167 HydrophobicContact CG2-CD2 3.7Å; I163-Y167 HydrophobicContact CG2-CE2 4.16Å; I163-Y167 WeakPolarHBondContact O-CD2 3.35Å; I163-Y167 PolarHBondContact O-N 3.27Å; I163-W178 HydrophobicContact CB-CH2 3.94Å; I163-W178 HydrophobicContact CD1-CH2 4Å; I163-W178 HydrophobicContact CD1-CZ3 4.44Å; I163-W178 HydrophobicContact CG2-CH2 3.59Å; I163-W178 HydrophobicContact CG2-CZ3 4.13Å; I163-V256 HydrophobicContact CG2-CG2 3.46Å; I163-V256 VanDerWaalsContact CG2-CG2 3.46Å
164Q70.1Confident65.1Low9 Ų950.3 Ų50.34%0.04225%0.247CC..Hα-helixtrans-59.3-42.2-178-72.7176.1-35.500112.7F160 E161 N162 Q166 K168 C169 W178 P207F160-Q164 VanDerWaalsContact O-CG 3.31Å; F160-Q164 WeakPolarHBondContact O-CG 3.33Å; F160-Q164 PolarHBondContact O-N 2.77Å; E161-Q164 PolarHBondContact O-N 3.14Å; N162-Q164 VanDerWaalsContact C-N 3.35Å; N162-Q164 PolarHBondContact O-N 3.3Å; Q164-Q166 VanDerWaalsContact C-N 3.34Å; Q164-Q166 PolarHBondContact O-N 2.9Å; Q164-K168 WeakPolarHBondContact O-CA 3.35Å; Q164-K168 PolarHBondContact O-N 2.87Å; Q164-C169 VanDerWaalsContact CA-O 3.28Å; Q164-C169 WeakPolarHBondContact CA-O 3.3Å; Q164-C169 WeakPolarHBondContact CB-O 3.45Å; Q164-C169 WeakPolarHBondContact CG-O 3.38Å; Q164-C169 PolarHBondContact O-N 3.46Å; Q164-W178 HydrophobicContact CG-CZ2 3.99Å; Q164-P207 VanDerWaalsContact OE1-CG 3.25Å
165R67.3Low64.2Low136 Ų13648.4 Ų48.451%0.51323%0.229SC..Hα-helixtrans-61.1-42.1175.8-75.8-173.9175.6152.311.2112.7E161 N162 I163 S209E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 2.89Å; N162-R165 PolarHBondContact O-N 2.9Å; I163-R165 VanDerWaalsContact C-N 3.33Å; I163-R165 PolarHBondContact O-N 2.82Å; R165-S209 VanDerWaalsContact NE-CB 3.33Å
166Q69.4Low63.4Low74 Ų7446.7 Ų46.735%0.34622%0.219SC..Hα-helixtrans-80.9-49-170.2-179170.1-18.800113N162 I163 Q164 K168N162-Q166 WeakPolarHBondContact O-CB 3.44Å; N162-Q166 PolarHBondContact O-N 3.28Å; N162-Q166 VanDerWaalsContact O-N 3.15Å; I163-Q166 PolarHBondContact O-N 3.45Å; I163-Q166 VanDerWaalsContact O-N 3.13Å; Q164-Q166 VanDerWaalsContact C-N 3.34Å; Q164-Q166 PolarHBondContact O-N 2.9Å; Q166-K168 PolarHBondContact O-N 3.33Å
167Y71.3Confident62.7Low16 Ų1647.4 Ų47.46%0.06322%0.224CC..THydrogen-bonded Turntrans-82.85.6-180-60.9-84.8000112.2F33 I163 C169 V256 E259 E260F33-Y167 HydrophobicContact CB-CE2 4.4Å; I163-Y167 HydrophobicContact CB-CD2 4.46Å; I163-Y167 HydrophobicContact CG2-CD2 3.7Å; I163-Y167 HydrophobicContact CG2-CE2 4.16Å; I163-Y167 WeakPolarHBondContact O-CD2 3.35Å; I163-Y167 PolarHBondContact O-N 3.27Å; Y167-C169 PolarHBondContact O-N 2.93Å; Y167-V256 HydrophobicContact CD1-CG2 4.26Å; Y167-V256 HydrophobicContact CD2-CG2 3.61Å; Y167-V256 HydrophobicContact CE2-CG2 3.92Å; Y167-V256 HydrophobicContact CG-CG2 3.79Å; Y167-E259 HydrophobicContact CD1-CB 4.1Å; Y167-E259 HydrophobicContact CD1-CG 4.34Å; Y167-E259 WeakPolarHBondContact CD1-OE2 3.14Å; Y167-E259 HydrophobicContact CE1-CB 3.83Å; Y167-E259 VanDerWaalsContact CE1-OE2 3.24Å; Y167-E259 WeakPolarHBondContact CE1-OE2 3.32Å; Y167-E260 PolarHBondContact OH-OE1 3.3Å
168K66.1Low62.5Low127 Ų12744.2 Ų44.255%0.55221%0.209SC*.THydrogen-bonded Turntrans48.247.1-178.7-59.5-177.8179.4-178.80111.6Q164 Q166 Y248Q164-K168 WeakPolarHBondContact O-CA 3.35Å; Q164-K168 PolarHBondContact O-N 2.87Å; Q166-K168 PolarHBondContact O-N 3.33Å; K168-Y248 HydrophobicContact CB-CD2 4.34Å; K168-Y248 HydrophobicContact CB-CE1 4.46Å; K168-Y248 HydrophobicContact CB-CE2 3.89Å; K168-Y248 WeakPolarHBondContact O-CB 3.42Å; K168-Y248 WeakPolarHBondContact O-CD2 3.4Å; K168-Y248 WeakPolarHBondContact O-CE2 3.36Å
169C68Low61.9Low0 Ų041.7 Ų41.70%020%0.195CC..  trans-119.8137179.2710000108.2Q164 Y167 C252Q164-C169 VanDerWaalsContact CA-O 3.28Å; Q164-C169 WeakPolarHBondContact CA-O 3.3Å; Q164-C169 WeakPolarHBondContact CB-O 3.45Å; Q164-C169 WeakPolarHBondContact CG-O 3.38Å; Q164-C169 PolarHBondContact O-N 3.46Å; Y167-C169 PolarHBondContact O-N 2.93Å; C169-C252 HydrophobicContact CB-CB 3.89Å; C169-C252 WeakPolarHBondContact CB-SG 3.33Å; C169-C252 PolarHBondContact O-SG 2.87Å; C169-C252 WeakPolarHBondContact SG-CA 3.44Å; C169-C252 WeakPolarHBondContact SG-CB 3.34Å; C169-C252 CovalentContact SG-SG 2.04Å; C169-C252 PolarHBondContact SG-SG 3.49Å
170C57.4Low60.8Low25 Ų2542 Ų4217%0.16920%0.202CC..  trans-135.4124.4-174.3-82.10000110.3C210 I247C170-C210 VanDerWaalsContact CA-SG 3.53Å; C170-C210 HydrophobicContact CB-CB 3.81Å; C170-C210 WeakPolarHBondContact CB-SG 3.31Å; C170-C210 WeakPolarHBondContact SG-CA 3.47Å; C170-C210 WeakPolarHBondContact SG-CB 3.19Å; C170-C210 CovalentContact SG-SG 2.03Å; C170-C210 PolarHBondContact SG-SG 3.43Å; C170-I247 HydrophobicContact CB-CG2 3.98Å; C170-I247 WeakPolarHBondContact O-CG2 3.3Å
171G51.8Low59.6Low8 Ų845.7 Ų45.78%0.08223%0.225CC..  trans-103.9116.1176.200000110.8D177G171-D177 VanDerWaalsContact CA-CB 3.46Å; G171-D177 VanDerWaalsContact CA-OD2 3.29Å; G171-D177 WeakPolarHBondContact CA-OD2 3.41Å
172I47.2Very low58.2Low53 Ų5347.7 Ų47.727%0.27224%0.241SC..SBendtrans-75.8-42.2164.3-92.9-177.6000109.2S174 D177 I247I172-S174 PolarHBondContact O-N 2.88Å; I172-D177 PolarHBondContact N-OD2 3.16Å; I172-I247 HydrophobicContact CB-CD1 4.49Å; I172-I247 HydrophobicContact CD1-CD1 3.19Å; I172-I247 HydrophobicContact CG1-CD1 3.7Å
173Y50Low56.6Low104 Ų10452.5 Ų52.541%0.40826%0.261SS..SBendtrans-91.781.8176.4-55.3-71.1000107.8V175 E176 D177Y173-V175 CarbonylContact O-C 3.59Å; Y173-V175 PolarHBondContact O-N 3.3Å; Y173-E176 PolarHBondContact O-N 3.22Å; Y173-D177 PolarHBondContact N-OD2 3.12Å; Y173-D177 PolarHBondContact O-N 3.39Å
174S50.2Low54.7Low30 Ų3062 Ų6221%0.2130%0.298CS..THydrogen-bonded Turntrans-16.4-42.8-177.253.70000119.2I172 W199I172-S174 PolarHBondContact O-N 2.88Å; S174-W199 VanDerWaalsContact CB-CD2 3.42Å; S174-W199 WeakPolarHBondContact OG-CB 3.1Å
175V48.1Very low52.9Low16 Ų1670.7 Ų70.710%0.09734%0.339CS..THydrogen-bonded Turntrans-113.7-42-179.5-177.70000113Y173 D177 W178 F179 W199Y173-V175 CarbonylContact O-C 3.59Å; Y173-V175 PolarHBondContact O-N 3.3Å; V175-D177 VanDerWaalsContact C-N 3.32Å; V175-D177 PolarHBondContact O-N 3.08Å; V175-W178 WeakPolarHBondContact O-CB 3.28Å; V175-W178 PolarHBondContact O-N 2.83Å; V175-W178 VanDerWaalsContact O-N 3.09Å; V175-F179 HydrophobicContact CG1-CD2 3.6Å; V175-F179 HydrophobicContact CG1-CE2 3.39Å; V175-F179 WeakPolarHBondContact O-CD2 3.48Å; V175-F179 PolarHBondContact O-N 2.9Å; V175-F179 VanDerWaalsContact O-N 3.13Å; V175-W199 HydrophobicContact CG2-CB 4.1Å; V175-W199 HydrophobicContact CG2-CD2 4.09Å; V175-W199 HydrophobicContact CG2-CG 3.51Å; V175-W199 VanDerWaalsContact CG2-NE1 3.33Å
176E52.7Low51.3Low70 Ų7067.2 Ų67.233%0.32735%0.345SS..THydrogen-bonded Turntrans-62.9-40.1-176.2-66.1178.5168.100111.8Y173 W178 F179 G180 V181 L196Y173-E176 PolarHBondContact O-N 3.22Å; E176-W178 VanDerWaalsContact C-N 3.32Å; E176-W178 PolarHBondContact O-N 3.38Å; E176-F179 PolarHBondContact O-N 3Å; E176-G180 PolarHBondContact O-N 3.09Å; E176-G180 VanDerWaalsContact O-N 3.08Å; E176-V181 PolarHBondContact O-N 2.94Å; E176-V181 VanDerWaalsContact O-N 3.11Å; E176-L196 HydrophobicContact CG-CD1 4.49Å; E176-L196 VanDerWaalsContact OE1-CD1 3.29Å; E176-L196 WeakPolarHBondContact OE1-CD1 3.24Å
177D54.4Low49.3Very low26 Ų2669.8 Ų69.814%0.13936%0.361CS..THydrogen-bonded Turntrans-71.2-28.4176.1-70.9-19.6000111.8G171 I172 Y173 V175 F179 G180 G251 C252G171-D177 VanDerWaalsContact CA-CB 3.46Å; G171-D177 VanDerWaalsContact CA-OD2 3.29Å; G171-D177 WeakPolarHBondContact CA-OD2 3.41Å; I172-D177 PolarHBondContact N-OD2 3.16Å; Y173-D177 PolarHBondContact N-OD2 3.12Å; Y173-D177 PolarHBondContact O-N 3.39Å; V175-D177 VanDerWaalsContact C-N 3.32Å; V175-D177 PolarHBondContact O-N 3.08Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-G180 PolarHBondContact O-N 2.63Å; D177-G251 CarbonylContact O-C 3.59Å; D177-G251 WeakPolarHBondContact O-CA 3.39Å; D177-C252 PolarHBondContact O-N 2.94Å
178W61.8Low47.2Very low6 Ų675.6 Ų75.62%0.02339%0.387CS..THydrogen-bonded Turntrans-64.7-42.5171.8-88.579.2000110.9F136 F140 F160 I163 Q164 V175 E176 G180 C252 L253F136-W178 HydrophobicContact CD1-CE3 4.16Å; F136-W178 AromaticContact CD1-CZ3 3.98Å; F136-W178 HydrophobicContact CD1-CZ3 3.98Å; F136-W178 HydrophobicContact CE1-CE3 4.02Å; F136-W178 HydrophobicContact CE1-CH2 4.15Å; F136-W178 AromaticContact CE1-CZ3 3.37Å; F136-W178 HydrophobicContact CE1-CZ3 3.37Å; F136-W178 AromaticContact CZ-CZ3 3.86Å; F136-W178 HydrophobicContact CZ-CZ3 3.86Å; F140-W178 HydrophobicContact CZ-CB 4.32Å; F140-W178 HydrophobicContact CZ-CD2 4.27Å; F140-W178 HydrophobicContact CZ-CG 4.17Å; F160-W178 HydrophobicContact CB-CZ2 4Å; F160-W178 AromaticContact CD1-CH2 3.42Å; F160-W178 HydrophobicContact CD1-CH2 3.42Å; F160-W178 VanDerWaalsContact CD1-CH2 3.42Å; F160-W178 AromaticContact CD1-CZ2 3.37Å; F160-W178 HydrophobicContact CD1-CZ2 3.37Å; F160-W178 HydrophobicContact CD1-CZ3 4.09Å; F160-W178 HydrophobicContact CE1-CH2 4.04Å; F160-W178 HydrophobicContact CE1-CZ2 4.17Å; F160-W178 HydrophobicContact CE1-CZ3 4.27Å; F160-W178 HydrophobicContact CG-CH2 4.43Å; F160-W178 HydrophobicContact CG-CZ2 4.07Å; I163-W178 HydrophobicContact CB-CH2 3.94Å; I163-W178 HydrophobicContact CD1-CH2 4Å; I163-W178 HydrophobicContact CD1-CZ3 4.44Å; I163-W178 HydrophobicContact CG2-CH2 3.59Å; I163-W178 HydrophobicContact CG2-CZ3 4.13Å; Q164-W178 HydrophobicContact CG-CZ2 3.99Å; V175-W178 WeakPolarHBondContact O-CB 3.28Å; V175-W178 PolarHBondContact O-N 2.83Å; V175-W178 VanDerWaalsContact O-N 3.09Å; E176-W178 VanDerWaalsContact C-N 3.32Å; E176-W178 PolarHBondContact O-N 3.38Å; W178-G180 VanDerWaalsContact C-N 3.29Å; W178-G180 PolarHBondContact O-N 2.77Å; W178-C252 HydrophobicContact CD2-CB 3.77Å; W178-C252 HydrophobicContact CE3-CB 3.7Å; W178-C252 HydrophobicContact CG-CB 4.28Å; W178-C252 HydrophobicContact CH2-CB 4.25Å; W178-C252 HydrophobicContact CZ2-CB 4.32Å; W178-C252 HydrophobicContact CZ3-CB 3.95Å; W178-L253 WeakPolarHBondContact O-CB 3.41Å; W178-L253 PolarHBondContact O-N 2.94Å
179F57.3Low45.8Very low37 Ų3775 Ų7516%0.16239%0.394CS..THydrogen-bonded Turntrans-80.9-3.5179.5-70.1-66.9000114.4M133 F140 V175 E176 D177 V181 L195 L253M133-F179 HydrophobicContact CE-CD1 3.76Å; M133-F179 HydrophobicContact CE-CE1 3.95Å; M133-F179 HydrophobicContact SD-CD1 3.73Å; M133-F179 HydrophobicContact SD-CE1 4.07Å; F140-F179 HydrophobicContact CD2-CE2 4.35Å; F140-F179 HydrophobicContact CD2-CZ 4.04Å; F140-F179 HydrophobicContact CE2-CE2 4.32Å; F140-F179 HydrophobicContact CE2-CZ 4.12Å; V175-F179 HydrophobicContact CG1-CD2 3.6Å; V175-F179 HydrophobicContact CG1-CE2 3.39Å; V175-F179 WeakPolarHBondContact O-CD2 3.48Å; V175-F179 PolarHBondContact O-N 2.9Å; V175-F179 VanDerWaalsContact O-N 3.13Å; E176-F179 PolarHBondContact O-N 3Å; D177-F179 VanDerWaalsContact C-N 3.34Å; F179-V181 HydrophobicContact CB-CG2 3.82Å; F179-V181 PolarHBondContact O-N 3.28Å; F179-L195 HydrophobicContact CE2-CD2 4.03Å; F179-L195 HydrophobicContact CZ-CD2 4.37Å; F179-L253 HydrophobicContact CD1-CD2 4.34Å
180G48.5Very low44.1Very low21 Ų2183.5 Ų83.522%0.21643%0.433CS..THydrogen-bonded Turntrans66.224.9-178.900000113.5E176 D177 W178 T182E176-G180 PolarHBondContact O-N 3.09Å; E176-G180 VanDerWaalsContact O-N 3.08Å; D177-G180 PolarHBondContact O-N 2.63Å; W178-G180 VanDerWaalsContact C-N 3.29Å; W178-G180 PolarHBondContact O-N 2.77Å; G180-T182 PolarHBondContact O-N 2.78Å
181V45.9Very low42.9Very low87 Ų8787.4 Ų87.453%0.52746%0.457SS..  trans-83.367.9177.7-166.80000108.3E176 F179 Q183E176-V181 PolarHBondContact O-N 2.94Å; E176-V181 VanDerWaalsContact O-N 3.11Å; F179-V181 HydrophobicContact CB-CG2 3.82Å; F179-V181 PolarHBondContact O-N 3.28Å; V181-Q183 PolarHBondContact O-N 3.23Å
182T40.4Very low42.1Very low89 Ų8988.5 Ų88.555%0.54646%0.463SS..  trans-80.33.9-179.451.20000113.2G180G180-T182 PolarHBondContact O-N 2.78Å
183Q38.5Very low41.6Very low167 Ų16791.5 Ų91.578%0.7848%0.479SS*.  trans-107.892.4-176.5-72.7-171.7-18.400113.2V181 Q185V181-Q183 PolarHBondContact O-N 3.23Å; Q183-Q185 PolarHBondContact O-N 3.38Å
184Y32.5Very low40.9Very low200 Ų20095.2 Ų95.278%0.78450%0.5SS*.  trans-39.9119.3131-88.1-103.2000108.3
185Q32.6Very low40.2Very low192 Ų19297 Ų9790%0.89751%0.507SS*.SBend-165.27.979.8-89.7-178.1-21.600114.3Q183Q183-Q185 PolarHBondContact O-N 3.38Å
186G33.2Very low39.6Very low63 Ų6399.1 Ų99.165%0.64952%0.518SS*.SBendtrans-129-14.6-164.600000118.1
187L27Very low38.9Very low128 Ų128103.4 Ų103.467%0.6753%0.532SS*.  trans-11641-162.8-146.880000113.6S192L187-S192 PolarHBondContact O-OG 2.94Å
188F27.2Very low38.2Very low139 Ų139103.7 Ų103.761%0.6154%0.536SS*.SBendtrans-85.5-4.1171.8-105.7-73000114.2
189T36.3Very low37Very low114 Ų114105.3 Ų105.370%0.69954%0.542SS*.SBendtrans-99.3-29-165.848.50000116
190E33.5Very low36.1Very low178 Ų178111 Ų11183%0.83257%0.567SS**SBendtrans-134.5-20.4-167.5-72.4-178.4172.500118.4
191V31.6Very low35.6Very low108 Ų108113.7 Ų113.766%0.65559%0.594SS**SBendtrans-122.4-9.4-172.9-170.20000115
192S36Very low35.1Very low31 Ų31111.3 Ų111.322%0.21758%0.58CS.*SBendtrans-103.5-12.4-169.651.40000116.3L187 E194 L195 L196L187-S192 PolarHBondContact O-OG 2.94Å; S192-E194 VanDerWaalsContact C-N 3.33Å; S192-E194 PolarHBondContact O-N 2.8Å; S192-L195 PolarHBondContact O-N 2.73Å; S192-L196 VanDerWaalsContact O-CB 3.24Å; S192-L196 WeakPolarHBondContact O-CB 3.36Å; S192-L196 PolarHBondContact O-N 3.46Å
193N35.3Very low35Very low115 Ų115109.7 Ų109.762%0.61557%0.573SS**Hα-helixtrans-68.6-28.4-175.2-82.8-19.9000114.2
194E36.5Very low35.1Very low182 Ų182106.7 Ų106.785%0.8556%0.562SS**Hα-helixtrans-78.5-37.4173.6-74.7-174.5159.500112.3S192S192-E194 VanDerWaalsContact C-N 3.33Å; S192-E194 PolarHBondContact O-N 2.8Å
195L35.6Very low35.3Very low67 Ų67101.8 Ų101.835%0.35155%0.549SS..Hα-helixtrans-77.5-29.6179.2-99.9103.6000113.6F179 S192 Y197 S198F179-L195 HydrophobicContact CE2-CD2 4.03Å; F179-L195 HydrophobicContact CZ-CD2 4.37Å; S192-L195 PolarHBondContact O-N 2.73Å; L195-Y197 VanDerWaalsContact C-N 3.29Å; L195-Y197 PolarHBondContact O-N 2.97Å; L195-S198 VanDerWaalsContact O-CB 3.25Å; L195-S198 WeakPolarHBondContact O-CB 3.48Å; L195-S198 PolarHBondContact O-N 2.83Å; L195-S198 PolarHBondContact O-OG 3.19Å
196L35.5Very low35.9Very low62 Ų6295.9 Ų95.933%0.32552%0.523SS..Hα-helixtrans-74.8-19.1-176.1-157.274.5000113E176 S192 S198E176-L196 HydrophobicContact CG-CD1 4.49Å; E176-L196 VanDerWaalsContact OE1-CD1 3.29Å; E176-L196 WeakPolarHBondContact OE1-CD1 3.24Å; S192-L196 VanDerWaalsContact O-CB 3.24Å; S192-L196 WeakPolarHBondContact O-CB 3.36Å; S192-L196 PolarHBondContact O-N 3.46Å; L196-S198 PolarHBondContact O-N 2.72Å
197Y38Very low36.7Very low160 Ų16094 Ų9463%0.62750%0.499SS*.THydrogen-bonded Turntrans-68-18.4174-108.3-80.7000113.3L195 W199L195-Y197 VanDerWaalsContact C-N 3.29Å; L195-Y197 PolarHBondContact O-N 2.97Å; Y197-W199 VanDerWaalsContact C-N 3.27Å; Y197-W199 PolarHBondContact O-N 3.49Å; Y197-W199 VanDerWaalsContact O-N 3.16Å
198S39Very low38Very low32 Ų3292.9 Ų92.922%0.22449%0.489CS..THydrogen-bonded Turntrans-58-31.6-172.3-48.50000114.5L195 L196L195-S198 VanDerWaalsContact O-CB 3.25Å; L195-S198 WeakPolarHBondContact O-CB 3.48Å; L195-S198 PolarHBondContact O-N 2.83Å; L195-S198 PolarHBondContact O-OG 3.19Å; L196-S198 PolarHBondContact O-N 2.72Å
199W36.5Very low39.1Very low39 Ų3987.5 Ų87.515%0.14847%0.468CS..THydrogen-bonded Turntrans-127.22.9-173-81.365.8000115.3F140 F157 S174 V175 Y197 G201 V202F140-W199 AromaticContact CD1-NE1 3.96Å; F140-W199 HydrophobicContact CE1-CZ2 4.25Å; F157-W199 AromaticContact CE1-CH2 3.97Å; F157-W199 HydrophobicContact CE1-CH2 3.97Å; F157-W199 HydrophobicContact CE1-CZ3 4.22Å; S174-W199 VanDerWaalsContact CB-CD2 3.42Å; S174-W199 WeakPolarHBondContact OG-CB 3.1Å; V175-W199 HydrophobicContact CG2-CB 4.1Å; V175-W199 HydrophobicContact CG2-CD2 4.09Å; V175-W199 HydrophobicContact CG2-CG 3.51Å; V175-W199 VanDerWaalsContact CG2-NE1 3.33Å; Y197-W199 VanDerWaalsContact C-N 3.27Å; Y197-W199 PolarHBondContact O-N 3.49Å; Y197-W199 VanDerWaalsContact O-N 3.16Å; W199-G201 PolarHBondContact O-N 3.39Å; W199-V202 HydrophobicContact CD2-CB 4.15Å; W199-V202 HydrophobicContact CD2-CG2 4.29Å; W199-V202 HydrophobicContact CE3-CB 3.56Å; W199-V202 HydrophobicContact CE3-CG1 3.62Å; W199-V202 HydrophobicContact CE3-CG2 4.13Å; W199-V202 HydrophobicContact CZ3-CB 4.19Å; W199-V202 HydrophobicContact CZ3-CG1 3.71Å; W199-V202 PolarHBondContact O-N 2.65Å
200K37.9Very low40Very low157 Ų15783.8 Ų83.868%0.68345%0.447SS*.THydrogen-bonded Turntrans-56.3-24.9174-94.4-173.7-179.9177.40113.4
201G38.4Very low41Very low77 Ų7776.6 Ų76.679%0.79442%0.416SS*.THydrogen-bonded Turntrans-86.5-20.2175.500000115W199 S203W199-G201 PolarHBondContact O-N 3.39Å; G201-S203 PolarHBondContact O-N 3.47Å
202V36.6Very low42Very low38 Ų3874.6 Ų74.623%0.2340%0.402CS..SBendtrans-91.384.9179.2-172.10000106.6F157 W199 N204F157-V202 HydrophobicContact CE1-CG1 3.97Å; F157-V202 HydrophobicContact CZ-CG1 3.7Å; F157-V202 HydrophobicContact CZ-CG2 4.43Å; W199-V202 HydrophobicContact CD2-CB 4.15Å; W199-V202 HydrophobicContact CD2-CG2 4.29Å; W199-V202 HydrophobicContact CE3-CB 3.56Å; W199-V202 HydrophobicContact CE3-CG1 3.62Å; W199-V202 HydrophobicContact CE3-CG2 4.13Å; W199-V202 HydrophobicContact CZ3-CB 4.19Å; W199-V202 HydrophobicContact CZ3-CG1 3.71Å; W199-V202 PolarHBondContact O-N 2.65Å; V202-N204 PolarHBondContact O-N 2.86Å
203S37.4Very low42.7Very low55 Ų5578.1 Ų78.139%0.38542%0.418SS..  trans-35.4124.6173.252.60000110.5G201 N205G201-S203 PolarHBondContact O-N 3.47Å; S203-N205 PolarHBondContact O-N 2.82Å
204N39.7Very low43.5Very low104 Ų10481.3 Ų81.356%0.55643%0.429SS*.  trans-41.168.6-179-63.4-10.6000114.5V202 I206V202-N204 PolarHBondContact O-N 2.86Å; N204-I206 PolarHBondContact O-N 3.47Å; N204-I206 VanDerWaalsContact O-N 3.17Å
205N38.5Very low44.2Very low97 Ų9780 Ų8052%0.51942%0.423SS..  trans-78.4101.7171.6-91.9-6.7000104.6S203 P207S203-N205 PolarHBondContact O-N 2.82Å; N205-P207 WeakPolarHBondContact O-CD 3.39Å; N205-P207 VanDerWaalsContact O-N 3.1Å
206I45.4Very low44.6Very low68 Ų6877.8 Ų77.835%0.34941%0.412SS..  trans-56.2115.7159.2-63.7169.3000105.1N204 K208 C210 F223N204-I206 PolarHBondContact O-N 3.47Å; N204-I206 VanDerWaalsContact O-N 3.17Å; I206-K208 PolarHBondContact O-N 2.99Å; I206-C210 HydrophobicContact CG2-CB 4.28Å; I206-F223 HydrophobicContact CB-CZ 3.88Å; I206-F223 HydrophobicContact CD1-CE2 4.27Å; I206-F223 HydrophobicContact CD1-CZ 4.01Å; I206-F223 HydrophobicContact CG2-CZ 4.05Å
207P50Low45.2Very low22 Ų2282.3 Ų82.314%0.14344%0.442CS..  trans-57.5138.5-179.1-23.835.6000109.3E161 Q164 N205 S209 C210E161-P207 HydrophobicContact CG-CB 3.94Å; Q164-P207 VanDerWaalsContact OE1-CG 3.25Å; N205-P207 WeakPolarHBondContact O-CD 3.39Å; N205-P207 VanDerWaalsContact O-N 3.1Å; P207-S209 WeakPolarHBondContact CB-OG 3.28Å; P207-S209 PolarHBondContact O-N 3.39Å; P207-C210 PolarHBondContact O-N 2.85Å
208K53Low45.6Very low105 Ų10578.3 Ų78.346%0.45744%0.437SS..G310 helixtrans-60.7-24.6-172.7-69-176.7-178.7-171.80111.9E161 I206 C210 L224E161-K208 PolarHBondContact OE1-N 3.43Å; E161-K208 VanDerWaalsContact OE1-N 3.08Å; I206-K208 PolarHBondContact O-N 2.99Å; K208-C210 VanDerWaalsContact C-N 3.29Å; K208-C210 PolarHBondContact O-N 3.34Å; K208-L224 HydrophobicContact CB-CD2 4.17Å; K208-L224 HydrophobicContact CD-CD2 4.12Å; K208-L224 WeakPolarHBondContact CE-O 3.35Å; K208-L224 HydrophobicContact CG-CD2 4.15Å; K208-L224 PolarHBondContact NZ-O 3.27Å
209S51.5Low45.8Very low26 Ų2677.1 Ų77.118%0.18243%0.429CS..G310 helixtrans-59.1-29.8173.844.70000115.4R165 P207 C211R165-S209 VanDerWaalsContact NE-CB 3.33Å; P207-S209 WeakPolarHBondContact CB-OG 3.28Å; P207-S209 PolarHBondContact O-N 3.39Å; S209-C211 VanDerWaalsContact C-N 3.3Å; S209-C211 PolarHBondContact O-N 2.84Å
210C54.4Low46.4Very low36 Ų3678 Ų7824%0.24344%0.441CS..G310 helixtrans-85.8-1-173.4-73.60000114.2C170 I206 P207 K208C170-C210 VanDerWaalsContact CA-SG 3.53Å; C170-C210 HydrophobicContact CB-CB 3.81Å; C170-C210 WeakPolarHBondContact CB-SG 3.31Å; C170-C210 WeakPolarHBondContact SG-CA 3.47Å; C170-C210 WeakPolarHBondContact SG-CB 3.19Å; C170-C210 CovalentContact SG-SG 2.03Å; C170-C210 PolarHBondContact SG-SG 3.43Å; I206-C210 HydrophobicContact CG2-CB 4.28Å; P207-C210 PolarHBondContact O-N 2.85Å; K208-C210 VanDerWaalsContact C-N 3.29Å; K208-C210 PolarHBondContact O-N 3.34Å
211C54.8Low47.1Very low28 Ų2877.5 Ų77.519%0.18944%0.441CS..  trans-105.9104.5-172.3-151.60000109.5S209 C219 F223S209-C211 VanDerWaalsContact C-N 3.3Å; S209-C211 PolarHBondContact O-N 2.84Å; C211-C219 HydrophobicContact CB-CB 4.4Å; C211-C219 WeakPolarHBondContact CB-SG 3.27Å; C211-C219 WeakPolarHBondContact SG-CB 3.38Å; C211-C219 CovalentContact SG-SG 2.01Å; C211-C219 PolarHBondContact SG-SG 3.32Å; C211-F223 HydrophobicContact CB-CE1 4.17Å
212N52.8Low47.6Very low66 Ų6679.7 Ų79.735%0.35343%0.434SS..  trans-87.4107.9173.2-172.90.3000109.7E214 E215 T216N212-E214 PolarHBondContact O-N 3.3Å; N212-E214 VanDerWaalsContact O-N 3.17Å; N212-E214 PolarHBondContact OD1-N 2.84Å; N212-E215 HydrophobicContact CB-CB 4.41Å; N212-E215 VanDerWaalsContact ND2-CD 3.33Å; N212-E215 WeakPolarHBondContact ND2-CG 3.46Å; N212-E215 PolarHBondContact ND2-OE2 3.02Å; N212-E215 PolarHBondContact O-N 3.25Å; N212-T216 HydrophobicContact CB-CG2 4.49Å; N212-T216 WeakPolarHBondContact O-CB 3.33Å; N212-T216 PolarHBondContact O-N 2.83Å; N212-T216 PolarHBondContact O-OG1 3.28Å
213L51.1Low48.1Very low105 Ų10579.8 Ų79.855%0.5543%0.432SS..THydrogen-bonded Turntrans-55.6-29.3178.9-84.2148.3000113.4C219 L224L213-C219 VanDerWaalsContact CD2-O 3.3Å; L213-C219 WeakPolarHBondContact CD2-O 3.38Å; L213-L224 HydrophobicContact CD1-CD1 4.13Å
214E52.1Low48.5Very low182 Ų18279.8 Ų79.885%0.8543%0.427SS*.THydrogen-bonded Turntrans-86.8-27.6-174.2-67.1-176.9171.100113.2N212N212-E214 PolarHBondContact O-N 3.3Å; N212-E214 VanDerWaalsContact O-N 3.17Å; N212-E214 PolarHBondContact OD1-N 2.84Å
215E49.3Very low48.8Very low154 Ų15482.6 Ų82.672%0.7243%0.434SS*.THydrogen-bonded Turntrans-108.1-16.6-174.3-71.3177.5155.500113.5N212N212-E215 HydrophobicContact CB-CB 4.41Å; N212-E215 VanDerWaalsContact ND2-CD 3.33Å; N212-E215 WeakPolarHBondContact ND2-CG 3.46Å; N212-E215 PolarHBondContact ND2-OE2 3.02Å; N212-E215 PolarHBondContact O-N 3.25Å
216T45.4Very low49Very low20 Ų2080.4 Ų80.412%0.12343%0.427CS..  trans-120.8109.2-170.168.40000111.6N212 S218 C219 S245N212-T216 HydrophobicContact CB-CG2 4.49Å; N212-T216 WeakPolarHBondContact O-CB 3.33Å; N212-T216 PolarHBondContact O-N 2.83Å; N212-T216 PolarHBondContact O-OG1 3.28Å; T216-S218 PolarHBondContact O-N 3.26Å; T216-C219 VanDerWaalsContact O-CB 3.3Å; T216-C219 WeakPolarHBondContact O-CB 3.38Å; T216-C219 PolarHBondContact O-N 3.17Å; T216-C219 VanDerWaalsContact O-N 3.1Å; T216-C219 VanDerWaalsContact OG1-CB 3.23Å; T216-C219 WeakPolarHBondContact OG1-CB 2.89Å; T216-S245 WeakPolarHBondContact CG2-OG 3.5Å
217V48.4Very low48.6Very low157 Ų15783.3 Ų83.395%0.95245%0.448SS*.THydrogen-bonded Turntrans-62.5-28.1-170.6-173.90000113C219V217-C219 VanDerWaalsContact C-N 3.32Å
218S44.8Very low47.7Very low76 Ų7691 Ų9153%0.53148%0.479SS..THydrogen-bonded Turntrans-81.6-8.1-179.747.30000114T216 S220T216-S218 PolarHBondContact O-N 3.26Å; S218-S220 VanDerWaalsContact C-N 3.28Å; S218-S220 PolarHBondContact O-N 3.08Å
219C44.4Very low46.8Very low8 Ų889.7 Ų89.75%0.05448%0.476CS..  trans-80.467.5-179-157.50000111.6C211 L213 T216 V217C211-C219 HydrophobicContact CB-CB 4.4Å; C211-C219 WeakPolarHBondContact CB-SG 3.27Å; C211-C219 WeakPolarHBondContact SG-CB 3.38Å; C211-C219 CovalentContact SG-SG 2.01Å; C211-C219 PolarHBondContact SG-SG 3.32Å; L213-C219 VanDerWaalsContact CD2-O 3.3Å; L213-C219 WeakPolarHBondContact CD2-O 3.38Å; T216-C219 VanDerWaalsContact O-CB 3.3Å; T216-C219 WeakPolarHBondContact O-CB 3.38Å; T216-C219 PolarHBondContact O-N 3.17Å; T216-C219 VanDerWaalsContact O-N 3.1Å; T216-C219 VanDerWaalsContact OG1-CB 3.23Å; T216-C219 WeakPolarHBondContact OG1-CB 2.89Å; V217-C219 VanDerWaalsContact C-N 3.32Å
220S49.6Very low45.7Very low57 Ų5797.7 Ų97.740%0.39951%0.507SS..  trans-76.1155.3-18069.70000112.5S218 N222 F223S218-S220 VanDerWaalsContact C-N 3.28Å; S218-S220 PolarHBondContact O-N 3.08Å; S220-N222 PolarHBondContact O-N 3.42Å; S220-N222 PolarHBondContact OG-N 2.87Å; S220-F223 WeakPolarHBondContact O-CA 3.08Å; S220-F223 WeakPolarHBondContact O-CB 3.29Å; S220-F223 PolarHBondContact O-N 3.27Å; S220-F223 PolarHBondContact OG-N 3.26Å
221Q51.5Low44.6Very low146 Ų14698.1 Ų98.168%0.68251%0.513SS*.Hα-helixtrans-54.9-25.6169.9-87.1-169.5-12.200113.1L224 K225Q221-L224 PolarHBondContact O-N 3.35Å; Q221-K225 PolarHBondContact O-N 3.19Å
222N49Very low43.3Very low123 Ų123107 Ų10766%0.65854%0.544SS*.Hα-helixtrans-69-35.1174.7-73.2-14.1000112.2S220 L224 K225 S226S220-N222 PolarHBondContact O-N 3.42Å; S220-N222 PolarHBondContact OG-N 2.87Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.31Å; N222-K225 PolarHBondContact O-N 3.02Å; N222-S226 PolarHBondContact O-N 3.07Å; N222-S226 VanDerWaalsContact O-N 3.1Å
223F47.3Very low42.2Very low40 Ų40112.8 Ų112.818%0.17557%0.569CS.*Hα-helixtrans-57.6-45.2173.6-175.4-92.1000111.1I206 C211 S220 K225 S226 M229I206-F223 HydrophobicContact CB-CZ 3.88Å; I206-F223 HydrophobicContact CD1-CE2 4.27Å; I206-F223 HydrophobicContact CD1-CZ 4.01Å; I206-F223 HydrophobicContact CG2-CZ 4.05Å; C211-F223 HydrophobicContact CB-CE1 4.17Å; S220-F223 WeakPolarHBondContact O-CA 3.08Å; S220-F223 WeakPolarHBondContact O-CB 3.29Å; S220-F223 PolarHBondContact O-N 3.27Å; S220-F223 PolarHBondContact OG-N 3.26Å; F223-K225 VanDerWaalsContact C-N 3.3Å; F223-K225 PolarHBondContact O-N 3.49Å; F223-S226 PolarHBondContact O-N 2.72Å; F223-S226 PolarHBondContact O-OG 2.84Å; F223-M229 HydrophobicContact CD2-CE 3.48Å; F223-M229 VanDerWaalsContact CD2-CE 3.48Å; F223-M229 HydrophobicContact CE2-CE 3.29Å; F223-M229 HydrophobicContact CZ-CE 4.25Å
224L45.2Very low41.3Very low55 Ų55110.5 Ų110.529%0.28856%0.561SS.*Hα-helixtrans-67.6-25.2178.2-74.4167000114.2K208 L213 Q221 N222K208-L224 HydrophobicContact CB-CD2 4.17Å; K208-L224 HydrophobicContact CD-CD2 4.12Å; K208-L224 WeakPolarHBondContact CE-O 3.35Å; K208-L224 HydrophobicContact CG-CD2 4.15Å; K208-L224 PolarHBondContact NZ-O 3.27Å; L213-L224 HydrophobicContact CD1-CD1 4.13Å; Q221-L224 PolarHBondContact O-N 3.35Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.31Å
225K47Very low40.4Very low163 Ų163107.8 Ų107.871%0.70956%0.557SS**Hα-helixtrans-89.3-17.7178.9-78.1-178.5178.2175.20113.9Q221 N222 F223 T227Q221-K225 PolarHBondContact O-N 3.19Å; N222-K225 PolarHBondContact O-N 3.02Å; F223-K225 VanDerWaalsContact C-N 3.3Å; F223-K225 PolarHBondContact O-N 3.49Å; K225-T227 PolarHBondContact O-N 3.3Å
226S42.1Very low39.8Very low52 Ų52107.8 Ų107.836%0.36456%0.562SS.*  trans-73.7127.4-178.284.40000111.1N222 F223N222-S226 PolarHBondContact O-N 3.07Å; N222-S226 VanDerWaalsContact O-N 3.1Å; F223-S226 PolarHBondContact O-N 2.72Å; F223-S226 PolarHBondContact O-OG 2.84Å
227T38.2Very low39.2Very low128 Ų128110.9 Ų110.979%0.78558%0.578SS**SBendtrans-97.2-9.117943.70000113.4K225K225-T227 PolarHBondContact O-N 3.3Å
228K30.8Very low38.5Very low185 Ų185110.9 Ų110.980%0.80457%0.568SS**  trans-146.2103-176.7-70.5-178.3178.6176.80110.4
229M32.5Very low38Very low77 Ų77110.8 Ų110.838%0.37957%0.571SS.*  trans-90.9109.3159.7-80.9-148.4-154.700109.3F223 A231F223-M229 HydrophobicContact CD2-CE 3.48Å; F223-M229 VanDerWaalsContact CD2-CE 3.48Å; F223-M229 HydrophobicContact CE2-CE 3.29Å; F223-M229 HydrophobicContact CZ-CE 4.25Å; M229-A231 PolarHBondContact O-N 2.67Å
230K28.7Very low37.6Very low194 Ų194115.3 Ų115.384%0.84359%0.594SS**  trans-70.1115.7158.2-78.5-179.9174.6-179.80106.3Y232K230-Y232 PolarHBondContact O-N 3.46Å
231A32.4Very low36.9Very low44 Ų44117.5 Ų117.536%0.36460%0.598SS.*  trans-52.8116.8175.100000109.3M229 H233M229-A231 PolarHBondContact O-N 2.67Å; A231-H233 VanDerWaalsContact C-N 3.31Å; A231-H233 PolarHBondContact O-N 3.46Å
232Y27.7Very low36.2Very low215 Ų215117.5 Ų117.584%0.84360%0.602SS**  trans-66.995.5169-103.4-99.9000107K230 S234K230-Y232 PolarHBondContact O-N 3.46Å; Y232-S234 PolarHBondContact O-N 2.97Å
233H29Very low35.5Very low187 Ų187115.7 Ų115.787%0.86660%0.599SS**  trans-70.964.3161.9-76.9-77.4000108.8A231A231-H233 VanDerWaalsContact C-N 3.31Å; A231-H233 PolarHBondContact O-N 3.46Å
234S31.2Very low35Very low57 Ų57115.8 Ų115.840%0.39960%0.603SS.*  trans-106.497.3165.661.40000108.5Y232Y232-S234 PolarHBondContact O-N 2.97Å
235T33.2Very low34.5Very low125 Ų125115.3 Ų115.377%0.76761%0.605SS**THydrogen-bonded Turntrans-21.3129.7154.350.70000113.5
236N37Very low34.1Very low154 Ų154117.7 Ų117.782%0.82462%0.616SS**THydrogen-bonded Turntrans87.8-1.2160.4-68.1-2.1000121.5Q238N236-Q238 VanDerWaalsContact C-N 3.31Å; N236-Q238 PolarHBondContact O-N 3.43Å
237D34Very low34.3Very low85 Ų85117.9 Ų117.946%0.45561%0.612SS.*  trans-84.970.7177.9-75.8-22.2000113.4A239 I240 H241D237-A239 PolarHBondContact O-N 3Å; D237-A239 VanDerWaalsContact O-N 3.12Å; D237-I240 HydrophobicContact CB-CD1 3.98Å; D237-I240 HydrophobicContact CB-CG1 4.13Å; D237-I240 PolarHBondContact O-N 3.1Å; D237-H241 PolarHBondContact O-CD2 2.88Å
238Q33.3Very low34.6Very low158 Ų158118.1 Ų118.174%0.73860%0.599SS**Hα-helixtrans-54.8-22.2162.7-82.5-179.5-25.800112.2N236 I240 H241 N242N236-Q238 VanDerWaalsContact C-N 3.31Å; N236-Q238 PolarHBondContact O-N 3.43Å; Q238-I240 VanDerWaalsContact C-N 3.35Å; Q238-I240 PolarHBondContact O-N 3.24Å; Q238-H241 PolarHBondContact O-N 3.09Å; Q238-N242 PolarHBondContact O-N 2.85Å
239A34.9Very low35.3Very low73 Ų73114.6 Ų114.660%0.60359%0.594SS**Hα-helixtrans-66.6-31.8178.800000113.5D237 S243D237-A239 PolarHBondContact O-N 3Å; D237-A239 VanDerWaalsContact O-N 3.12Å; A239-S243 PolarHBondContact O-OG 3.2Å
240I34.9Very low36.2Very low103 Ų103116 Ų11653%0.52860%0.602SS.*Hα-helixtrans-75.8-35.6177.3-61.6173.3000110D237 Q238 N242 S243D237-I240 HydrophobicContact CB-CD1 3.98Å; D237-I240 HydrophobicContact CB-CG1 4.13Å; D237-I240 PolarHBondContact O-N 3.1Å; Q238-I240 VanDerWaalsContact C-N 3.35Å; Q238-I240 PolarHBondContact O-N 3.24Å; I240-N242 VanDerWaalsContact C-N 3.35Å; I240-N242 PolarHBondContact O-N 3.08Å; I240-S243 PolarHBondContact O-N 3.4Å; I240-S243 PolarHBondContact O-OG 2.92Å; I240-S243 VanDerWaalsContact O-OG 3.13Å
241H34.7Very low37.9Very low103 Ų103106.9 Ų106.948%0.47756%0.564SS.*Hα-helixtrans-65-33.3179.3-74.4-71.4000114.1D237 Q238 T244D237-H241 PolarHBondContact O-CD2 2.88Å; Q238-H241 PolarHBondContact O-N 3.09Å; H241-T244 PolarHBondContact O-OG1 3.43Å; H241-T244 VanDerWaalsContact O-OG1 3.13Å
242N36.3Very low39.7Very low146 Ų146104.9 Ų104.978%0.78155%0.547SS*.Hα-helixtrans-84.4-16.8-178.3-71.5-12.3000113.8Q238 I240Q238-N242 PolarHBondContact O-N 2.85Å; I240-N242 VanDerWaalsContact C-N 3.35Å; I240-N242 PolarHBondContact O-N 3.08Å
243S36.2Very low41.8Very low85 Ų8594.8 Ų94.859%0.59451%0.508SS*.Hα-helixtrans-89.4-9.1-179.653.70000113.4A239 I240 S245A239-S243 PolarHBondContact O-OG 3.2Å; I240-S243 PolarHBondContact O-N 3.4Å; I240-S243 PolarHBondContact O-OG 2.92Å; I240-S243 VanDerWaalsContact O-OG 3.13Å; S243-S245 PolarHBondContact O-N 2.76Å; S243-S245 VanDerWaalsContact O-N 3.15Å
244T35.2Very low44Very low42 Ų4290.3 Ų90.326%0.25849%0.49SS..SBendtrans-86.977172.653.70000111.1H241H241-T244 PolarHBondContact O-OG1 3.43Å; H241-T244 VanDerWaalsContact O-OG1 3.13Å
245S35.4Very low46.1Very low46 Ų4688.7 Ų88.732%0.32248%0.479SS..  trans6.6131.2148.355.70000119.5T216 S243 I247T216-S245 WeakPolarHBondContact CG2-OG 3.5Å; S243-S245 PolarHBondContact O-N 2.76Å; S243-S245 VanDerWaalsContact O-N 3.15Å; S245-I247 PolarHBondContact O-N 3.15Å
246F37.8Very low48.2Very low213 Ų21382.9 Ų82.993%0.93444%0.443SS*.  trans7.373.6164.2-64.9-78.9000116.7
247I46.4Very low50.2Low55 Ų5575.8 Ų75.828%0.28241%0.406SS..  trans-82.1121.7161.9-57.4173.2000105C170 I172 S245 T249C170-I247 HydrophobicContact CB-CG2 3.98Å; C170-I247 WeakPolarHBondContact O-CG2 3.3Å; I172-I247 HydrophobicContact CB-CD1 4.49Å; I172-I247 HydrophobicContact CD1-CD1 3.19Å; I172-I247 HydrophobicContact CG1-CD1 3.7Å; S245-I247 PolarHBondContact O-N 3.15Å; I247-T249 PolarHBondContact O-N 2.94Å
248Y45Very low52.3Low133 Ų13374.5 Ų74.552%0.52241%0.407SS..  trans-52.7111.9172.2-71.2-98.2000107.6K168 D250K168-Y248 HydrophobicContact CB-CD2 4.34Å; K168-Y248 HydrophobicContact CB-CE1 4.46Å; K168-Y248 HydrophobicContact CB-CE2 3.89Å; K168-Y248 WeakPolarHBondContact O-CB 3.42Å; K168-Y248 WeakPolarHBondContact O-CD2 3.4Å; K168-Y248 WeakPolarHBondContact O-CE2 3.36Å; Y248-D250 PolarHBondContact O-N 3.4Å
249T46.4Very low54.5Low112 Ų11271.7 Ų71.769%0.68739%0.394SS*.  trans-73.4-13.5-174.351.50000112.5I247 G251I247-T249 PolarHBondContact O-N 2.94Å; T249-G251 PolarHBondContact O-N 2.98Å
250D51.2Low56.6Low105 Ų10568.2 Ų68.256%0.56137%0.366SS*.SBendtrans-69.7122.4173.2-70.9-20.6000108.5Y248 C252Y248-D250 PolarHBondContact O-N 3.4Å; D250-C252 PolarHBondContact O-N 2.79Å
251G63.2Low58.8Low4 Ų466.6 Ų66.64%0.04135%0.353CS..  trans-57.6141.3-179.700000111.3D177 T249 L253 N254 S255D177-G251 CarbonylContact O-C 3.59Å; D177-G251 WeakPolarHBondContact O-CA 3.39Å; T249-G251 PolarHBondContact O-N 2.98Å; G251-L253 PolarHBondContact O-N 3.38Å; G251-N254 WeakPolarHBondContact O-CB 3.22Å; G251-N254 PolarHBondContact O-N 2.98Å; G251-S255 PolarHBondContact O-N 3.39Å
252C70.7Confident61Low1 Ų168.5 Ų68.51%0.00736%0.362CS..Hα-helixtrans-53.2-35.5-174.7-94.20000112.7C169 D177 W178 D250 N254 S255 V256C169-C252 HydrophobicContact CB-CB 3.89Å; C169-C252 WeakPolarHBondContact CB-SG 3.33Å; C169-C252 PolarHBondContact O-SG 2.87Å; C169-C252 WeakPolarHBondContact SG-CA 3.44Å; C169-C252 WeakPolarHBondContact SG-CB 3.34Å; C169-C252 CovalentContact SG-SG 2.04Å; C169-C252 PolarHBondContact SG-SG 3.49Å; D177-C252 PolarHBondContact O-N 2.94Å; W178-C252 HydrophobicContact CD2-CB 3.77Å; W178-C252 HydrophobicContact CE3-CB 3.7Å; W178-C252 HydrophobicContact CG-CB 4.28Å; W178-C252 HydrophobicContact CH2-CB 4.25Å; W178-C252 HydrophobicContact CZ2-CB 4.32Å; W178-C252 HydrophobicContact CZ3-CB 3.95Å; D250-C252 PolarHBondContact O-N 2.79Å; C252-N254 PolarHBondContact O-N 2.89Å; C252-S255 PolarHBondContact O-N 3.33Å; C252-V256 WeakPolarHBondContact O-CB 3.33Å; C252-V256 WeakPolarHBondContact O-CG2 2.99Å; C252-V256 PolarHBondContact O-N 3.43Å
253L72.5Confident63.2Low4 Ų464.3 Ų64.32%0.02134%0.339CS..Hα-helixtrans-65.1-37.8177.9-166.179.1000113.1I132 M133 F136 W178 F179 G251 A257I132-L253 HydrophobicContact CG2-CD1 3.31Å; I132-L253 HydrophobicContact CG2-CD2 4.39Å; I132-L253 HydrophobicContact CG2-CG 3.77Å; M133-L253 HydrophobicContact CB-CD2 4.43Å; M133-L253 HydrophobicContact CG-CD2 3.59Å; M133-L253 HydrophobicContact SD-CD2 2.98Å; M133-L253 WeakPolarHBondContact SD-CD2 3.42Å; M133-L253 HydrophobicContact SD-CG 4.47Å; F136-L253 HydrophobicContact CB-CD1 4.05Å; F136-L253 HydrophobicContact CD2-CD1 3.1Å; F136-L253 HydrophobicContact CE2-CD1 3.57Å; F136-L253 HydrophobicContact CG-CD1 3.66Å; F136-L253 HydrophobicContact CZ-CD1 4.48Å; W178-L253 WeakPolarHBondContact O-CB 3.41Å; W178-L253 PolarHBondContact O-N 2.94Å; F179-L253 HydrophobicContact CD1-CD2 4.34Å; G251-L253 PolarHBondContact O-N 3.38Å; L253-A257 WeakPolarHBondContact O-CB 3.07Å; L253-A257 PolarHBondContact O-N 2.84Å
254N74.1Confident65.4Low92 Ų9260.3 Ų60.349%0.49231%0.311SS..Hα-helixtrans-68.5-42.9179.5-69.8-15000110.8G251 C252 A257 A258G251-N254 WeakPolarHBondContact O-CB 3.22Å; G251-N254 PolarHBondContact O-N 2.98Å; C252-N254 PolarHBondContact O-N 2.89Å; N254-A257 PolarHBondContact O-N 3.42Å; N254-A258 VanDerWaalsContact O-CB 3.3Å; N254-A258 WeakPolarHBondContact O-CB 2.89Å; N254-A258 PolarHBondContact O-N 2.79Å
255S76.3Confident67.7Low24 Ų2462.2 Ų62.217%0.16831%0.314CS..Hα-helixtrans-63.5-46.7176.8-53.10000111.5G251 C252 A258 E259G251-S255 PolarHBondContact O-N 3.39Å; C252-S255 PolarHBondContact O-N 3.33Å; S255-A258 PolarHBondContact O-N 3.47Å; S255-E259 PolarHBondContact O-N 3.03Å
256V77.3Confident70Confident3 Ų362.7 Ų62.72%0.01832%0.317CS..Hα-helixtrans-61.7-45175.4173.10000110.7F136 I163 Y167 C252 A258 E260F136-V256 HydrophobicContact CE2-CG1 4.42Å; I163-V256 HydrophobicContact CG2-CG2 3.46Å; I163-V256 VanDerWaalsContact CG2-CG2 3.46Å; Y167-V256 HydrophobicContact CD1-CG2 4.26Å; Y167-V256 HydrophobicContact CD2-CG2 3.61Å; Y167-V256 HydrophobicContact CE2-CG2 3.92Å; Y167-V256 HydrophobicContact CG-CG2 3.79Å; C252-V256 WeakPolarHBondContact O-CB 3.33Å; C252-V256 WeakPolarHBondContact O-CG2 2.99Å; C252-V256 PolarHBondContact O-N 3.43Å; V256-A258 PolarHBondContact O-N 3.16Å; V256-E260 HydrophobicContact CG1-CG 4.23Å; V256-E260 VanDerWaalsContact O-CB 3.28Å; V256-E260 WeakPolarHBondContact O-CB 3.47Å; V256-E260 WeakPolarHBondContact O-CG 3.24Å; V256-E260 PolarHBondContact O-N 3.4Å
257A77.5Confident72.2Confident4 Ų454.2 Ų54.23%0.03328%0.28CS..Hα-helixtrans-64.2-41.9-17900000112.2F128 I132 L253 N254 R261F128-A257 WeakPolarHBondContact CE1-O 3.12Å; I132-A257 HydrophobicContact CD1-CB 4.2Å; I132-A257 HydrophobicContact CG2-CB 4.37Å; L253-A257 WeakPolarHBondContact O-CB 3.07Å; L253-A257 PolarHBondContact O-N 2.84Å; N254-A257 PolarHBondContact O-N 3.42Å; A257-R261 WeakPolarHBondContact O-CB 3.38Å; A257-R261 PolarHBondContact O-N 3.2Å
258A78.4Confident74.1Confident59 Ų5951.6 Ų51.649%0.48827%0.267SS..Hα-helixtrans-65.5-49.4-179.400000112.4N254 S255 V256 Q262N254-A258 VanDerWaalsContact O-CB 3.3Å; N254-A258 WeakPolarHBondContact O-CB 2.89Å; N254-A258 PolarHBondContact O-N 2.79Å; S255-A258 PolarHBondContact O-N 3.47Å; V256-A258 PolarHBondContact O-N 3.16Å; A258-Q262 PolarHBondContact O-N 2.72Å
259E79.7Confident76.1Confident98 Ų9848.8 Ų48.846%0.45826%0.26SS..Hα-helixtrans-69.9-46.6-178.8-76.5-163.7166.700112.2Y167 S255 R261 Q262 I263Y167-E259 HydrophobicContact CD1-CB 4.1Å; Y167-E259 HydrophobicContact CD1-CG 4.34Å; Y167-E259 WeakPolarHBondContact CD1-OE2 3.14Å; Y167-E259 HydrophobicContact CE1-CB 3.83Å; Y167-E259 VanDerWaalsContact CE1-OE2 3.24Å; Y167-E259 WeakPolarHBondContact CE1-OE2 3.32Å; S255-E259 PolarHBondContact O-N 3.03Å; E259-R261 VanDerWaalsContact C-N 3.31Å; E259-R261 PolarHBondContact O-N 2.95Å; E259-Q262 WeakPolarHBondContact O-CB 3.47Å; E259-Q262 PolarHBondContact O-N 3.4Å; E259-Q262 VanDerWaalsContact O-N 3.1Å; E259-I263 WeakPolarHBondContact O-CG1 3.47Å; E259-I263 PolarHBondContact O-N 3.32Å
260E79Confident78Confident1 Ų149.7 Ų49.71%0.00525%0.254CS..Hα-helixtrans-65.4-36.3179.9-70.3-67.6125.600111.7F128 Y167 V256 Q262 I263 M264F128-E260 HydrophobicContact CE1-CB 3.83Å; F128-E260 HydrophobicContact CZ-CB 3.53Å; Y167-E260 PolarHBondContact OH-OE1 3.3Å; V256-E260 HydrophobicContact CG1-CG 4.23Å; V256-E260 VanDerWaalsContact O-CB 3.28Å; V256-E260 WeakPolarHBondContact O-CB 3.47Å; V256-E260 WeakPolarHBondContact O-CG 3.24Å; V256-E260 PolarHBondContact O-N 3.4Å; E260-Q262 VanDerWaalsContact C-N 3.32Å; E260-Q262 PolarHBondContact O-N 3.09Å; E260-I263 PolarHBondContact O-N 3.26Å; E260-M264 WeakPolarHBondContact O-CB 3.43Å; E260-M264 VanDerWaalsContact O-CG 3.25Å; E260-M264 WeakPolarHBondContact O-CG 3.49Å; E260-M264 PolarHBondContact O-N 3.45Å
261R81.2Confident79.7Confident68 Ų6845.2 Ų45.226%0.25723%0.23SC..Hα-helixtrans-57.4-46.1171.1170.1-179.8-67.2-171.5-13111.6F128 D129 A257 E259 I263 M264 Y265F128-R261 HydrophobicContact CD1-CB 3.86Å; F128-R261 HydrophobicContact CE1-CB 4.06Å; D129-R261 VanDerWaalsContact CG-CZ 3.4Å; D129-R261 IonicContact OD1-CZ 3.2Å; D129-R261 IonicContact OD1-NE 3.39Å; D129-R261 IonicContact OD1-NH1 3.59Å; D129-R261 IonicContact OD1-NH2 3.77Å; D129-R261 PolarHBondContact OD1-NH2 2.67Å; D129-R261 IonicContact OD2-CZ 3Å; D129-R261 IonicContact OD2-NH1 2.66Å; D129-R261 PolarHBondContact OD2-NH1 2.97Å; D129-R261 IonicContact OD2-NH2 2.86Å; D129-R261 PolarHBondContact OD2-NH2 2.91Å; A257-R261 WeakPolarHBondContact O-CB 3.38Å; A257-R261 PolarHBondContact O-N 3.2Å; E259-R261 VanDerWaalsContact C-N 3.31Å; E259-R261 PolarHBondContact O-N 2.95Å; R261-I263 VanDerWaalsContact C-N 3.33Å; R261-I263 PolarHBondContact O-N 3.02Å; R261-M264 PolarHBondContact O-N 3.36Å; R261-Y265 HydrophobicContact CG-CD2 3.63Å; R261-Y265 HydrophobicContact CG-CE2 3.74Å; R261-Y265 WeakPolarHBondContact O-CD2 3.48Å; R261-Y265 PolarHBondContact O-N 3.41Å
262Q82.1Confident80.8Confident144 Ų14445 Ų4567%0.67323%0.228SC*.Hα-helixtrans-64.1-40.7-178.9-175.6176.7-1000111.5A258 E259 E260 S266A258-Q262 PolarHBondContact O-N 2.72Å; E259-Q262 WeakPolarHBondContact O-CB 3.47Å; E259-Q262 PolarHBondContact O-N 3.4Å; E259-Q262 VanDerWaalsContact O-N 3.1Å; E260-Q262 VanDerWaalsContact C-N 3.32Å; E260-Q262 PolarHBondContact O-N 3.09Å; Q262-S266 WeakPolarHBondContact O-CB 3.39Å; Q262-S266 PolarHBondContact O-N 3.41Å
263I81.6Confident81.7Confident57 Ų5749.2 Ų49.229%0.29225%0.249SC..Hα-helixtrans-62.3-46.2175.6-66.3167.9000110.3P30 E259 E260 R261 S266 F267P30-I263 HydrophobicContact CB-CG2 3.75Å; P30-I263 HydrophobicContact CG-CG2 3.92Å; E259-I263 WeakPolarHBondContact O-CG1 3.47Å; E259-I263 PolarHBondContact O-N 3.32Å; E260-I263 PolarHBondContact O-N 3.26Å; R261-I263 VanDerWaalsContact C-N 3.33Å; R261-I263 PolarHBondContact O-N 3.02Å; I263-S266 PolarHBondContact O-N 3.48Å; I263-F267 WeakPolarHBondContact O-CB 3.09Å; I263-F267 PolarHBondContact O-N 3.32Å
264M81.5Confident82.4Confident2 Ų253.2 Ų53.21%0.0127%0.27CS..Hα-helixtrans-66.2-40.1179.8-71.1-65.5-82.500112.9P30 I44 I48 I125 F128 E260 R261 F267 T268P30-M264 HydrophobicContact CG-SD 4.4Å; I44-M264 HydrophobicContact CG2-CE 4.32Å; I48-M264 HydrophobicContact CD1-CE 3.35Å; I125-M264 HydrophobicContact CD1-CB 4.39Å; F128-M264 HydrophobicContact CE2-CG 4.26Å; E260-M264 WeakPolarHBondContact O-CB 3.43Å; E260-M264 VanDerWaalsContact O-CG 3.25Å; E260-M264 WeakPolarHBondContact O-CG 3.49Å; E260-M264 PolarHBondContact O-N 3.45Å; R261-M264 PolarHBondContact O-N 3.36Å; M264-F267 PolarHBondContact O-N 3.08Å; M264-T268 VanDerWaalsContact O-CB 3.31Å; M264-T268 WeakPolarHBondContact O-CB 3.39Å; M264-T268 PolarHBondContact O-N 2.97Å; M264-T268 PolarHBondContact O-OG1 3.29Å
265Y83.6Confident83.1Confident82 Ų8248.9 Ų48.932%0.32225%0.247SC..Hα-helixtrans-62.1-46.7173-95.1-65.6000111.8L122 I125 R261 F267 T268 I269L122-Y265 HydrophobicContact CD2-CD1 4.04Å; L122-Y265 HydrophobicContact CD2-CE1 3.9Å; I125-Y265 HydrophobicContact CG2-CD1 4.27Å; I125-Y265 HydrophobicContact CG2-CD2 3.67Å; I125-Y265 HydrophobicContact CG2-CE1 4.1Å; I125-Y265 HydrophobicContact CG2-CE2 3.49Å; I125-Y265 VanDerWaalsContact CG2-CE2 3.49Å; I125-Y265 HydrophobicContact CG2-CG 4.05Å; R261-Y265 HydrophobicContact CG-CD2 3.63Å; R261-Y265 HydrophobicContact CG-CE2 3.74Å; R261-Y265 WeakPolarHBondContact O-CD2 3.48Å; R261-Y265 PolarHBondContact O-N 3.41Å; Y265-F267 VanDerWaalsContact C-N 3.34Å; Y265-F267 PolarHBondContact O-N 3.04Å; Y265-T268 PolarHBondContact O-N 3.48Å; Y265-I269 WeakPolarHBondContact O-CB 3.42Å; Y265-I269 VanDerWaalsContact O-CG1 3.28Å; Y265-I269 WeakPolarHBondContact O-CG1 3.21Å; Y265-I269 PolarHBondContact O-N 3.21Å
266S84.4Confident83.7Confident56 Ų5649.4 Ų49.439%0.39225%0.247SC..Hα-helixtrans-60.6-43.6179.6-174.60000111.8Q262 I263 K270Q262-S266 WeakPolarHBondContact O-CB 3.39Å; Q262-S266 PolarHBondContact O-N 3.41Å; I263-S266 PolarHBondContact O-N 3.48Å; S266-K270 VanDerWaalsContact O-CG 3.31Å; S266-K270 WeakPolarHBondContact O-CG 3.43Å; S266-K270 PolarHBondContact O-N 2.9Å; S266-K270 VanDerWaalsContact O-N 3.16Å
267F85.1Confident84.3Confident34 Ų3452.3 Ų52.315%0.14927%0.267CS..Hα-helixtrans-60.3-48.9174172.9-95.6000112L27 L29 P30 I52 I263 M264 Y265 I269 K270 Y271L27-F267 HydrophobicContact CD2-CE2 3.57Å; L27-F267 HydrophobicContact CD2-CZ 3.64Å; L27-F267 HydrophobicContact CG-CE2 4.23Å; L27-F267 HydrophobicContact CG-CZ 4.44Å; L29-F267 HydrophobicContact CD2-CD1 4.24Å; L29-F267 HydrophobicContact CD2-CE1 3.55Å; L29-F267 HydrophobicContact CD2-CZ 3.87Å; P30-F267 HydrophobicContact CG-CB 3.79Å; P30-F267 HydrophobicContact CG-CD2 3.82Å; P30-F267 HydrophobicContact CG-CG 3.83Å; I52-F267 HydrophobicContact CD1-CE1 4.21Å; I263-F267 WeakPolarHBondContact O-CB 3.09Å; I263-F267 PolarHBondContact O-N 3.32Å; M264-F267 PolarHBondContact O-N 3.08Å; Y265-F267 VanDerWaalsContact C-N 3.34Å; Y265-F267 PolarHBondContact O-N 3.04Å; F267-I269 PolarHBondContact O-N 2.93Å; F267-K270 PolarHBondContact O-N 3.3Å; F267-Y271 WeakPolarHBondContact O-CB 3.42Å; F267-Y271 PolarHBondContact O-N 3.05Å
268T84.6Confident84.9Confident1 Ų153.1 Ų53.11%0.00627%0.271CS..Hα-helixtrans-67.8-39.5-174.6-61.40000112.4F118 L121 L122 I125 M264 Y265 G272F118-T268 HydrophobicContact CD2-CG2 4.42Å; F118-T268 HydrophobicContact CE2-CG2 4.33Å; F118-T268 WeakPolarHBondContact CE2-O 3.43Å; L121-T268 HydrophobicContact CB-CG2 3.6Å; L121-T268 HydrophobicContact CD1-CG2 4.46Å; L122-T268 HydrophobicContact CD2-CG2 4.22Å; L122-T268 HydrophobicContact CG-CG2 4.49Å; I125-T268 HydrophobicContact CD1-CG2 3.83Å; I125-T268 WeakPolarHBondContact CD1-OG1 3.42Å; M264-T268 VanDerWaalsContact O-CB 3.31Å; M264-T268 WeakPolarHBondContact O-CB 3.39Å; M264-T268 PolarHBondContact O-N 2.97Å; M264-T268 PolarHBondContact O-OG1 3.29Å; Y265-T268 PolarHBondContact O-N 3.48Å; T268-G272 PolarHBondContact O-N 3.44Å
269I86.9Confident85.4Confident74 Ų7450.5 Ų50.538%0.37925%0.248SC..Hα-helixtrans-62.6-47.3174.2-70.6170.7000110.3Y265 F267 G272 I273Y265-I269 WeakPolarHBondContact O-CB 3.42Å; Y265-I269 VanDerWaalsContact O-CG1 3.28Å; Y265-I269 WeakPolarHBondContact O-CG1 3.21Å; Y265-I269 PolarHBondContact O-N 3.21Å; F267-I269 PolarHBondContact O-N 2.93Å; I269-G272 PolarHBondContact O-N 3.44Å; I269-I273 HydrophobicContact CG2-CD1 3.58Å; I269-I273 HydrophobicContact CG2-CG1 4.37Å; I269-I273 WeakPolarHBondContact O-CB 3.18Å; I269-I273 VanDerWaalsContact O-CG1 3.26Å; I269-I273 WeakPolarHBondContact O-CG1 3.4Å; I269-I273 PolarHBondContact O-N 2.63Å
270K87.1Confident85.8Confident131 Ų13150.2 Ų50.257%0.5725%0.249SC*.Hα-helixtrans-62.9-46.9178.3-73175-176.2175.70111.6S266 F267 I274S266-K270 VanDerWaalsContact O-CG 3.31Å; S266-K270 WeakPolarHBondContact O-CG 3.43Å; S266-K270 PolarHBondContact O-N 2.9Å; S266-K270 VanDerWaalsContact O-N 3.16Å; F267-K270 PolarHBondContact O-N 3.3Å; K270-I274 WeakPolarHBondContact O-CB 3.15Å; K270-I274 WeakPolarHBondContact O-CD1 3.34Å; K270-I274 WeakPolarHBondContact O-CG1 3.31Å; K270-I274 PolarHBondContact O-N 3.34Å; K270-I274 VanDerWaalsContact O-N 3.16Å
271Y86.5Confident86.1Confident11 Ų1154.4 Ų54.44%0.04327%0.269CS..Hα-helixtrans-57.7-54.6176.3176.4-97.2000110.8Y20 S24 I52 L121 F267 I273 I274 G275Y20-Y271 HydrophobicContact CE1-CE2 4.17Å; Y20-Y271 AromaticContact CZ-CD2 3.95Å; Y20-Y271 AromaticContact CZ-CE2 3.77Å; Y20-Y271 WeakPolarHBondContact OH-CD2 3.48Å; Y20-Y271 WeakPolarHBondContact OH-CE2 3.48Å; Y20-Y271 PolarHBondContact OH-O 3.31Å; S24-Y271 WeakPolarHBondContact OG-CE2 3.37Å; I52-Y271 HydrophobicContact CG1-CE1 4.21Å; I52-Y271 HydrophobicContact CG2-CE2 4.32Å; L121-Y271 HydrophobicContact CD1-CD1 3.88Å; L121-Y271 HydrophobicContact CD1-CE1 3.86Å; F267-Y271 WeakPolarHBondContact O-CB 3.42Å; F267-Y271 PolarHBondContact O-N 3.05Å; Y271-I273 PolarHBondContact O-N 3.27Å; Y271-I274 PolarHBondContact O-N 2.83Å; Y271-G275 PolarHBondContact O-N 3.03Å; Y271-G275 VanDerWaalsContact O-N 3.08Å
272G87.2Confident86.3Confident0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-59.2-48.8-178.100000113.8T268 I269 G275 I276T268-G272 PolarHBondContact O-N 3.44Å; I269-G272 PolarHBondContact O-N 3.44Å; G272-G275 PolarHBondContact O-N 3Å; G272-I276 WeakPolarHBondContact O-CB 3.4Å; G272-I276 VanDerWaalsContact O-CG1 3.29Å; G272-I276 WeakPolarHBondContact O-CG1 3.34Å; G272-I276 PolarHBondContact O-N 3.06Å
273I88.8Confident86.4Confident89 Ų8945.9 Ų45.946%0.45623%0.233SC..Hα-helixtrans-63.4-47.1-178.6-69.7174.2000111.1I269 Y271 G275 I276 C277I269-I273 HydrophobicContact CG2-CD1 3.58Å; I269-I273 HydrophobicContact CG2-CG1 4.37Å; I269-I273 WeakPolarHBondContact O-CB 3.18Å; I269-I273 VanDerWaalsContact O-CG1 3.26Å; I269-I273 WeakPolarHBondContact O-CG1 3.4Å; I269-I273 PolarHBondContact O-N 2.63Å; Y271-I273 PolarHBondContact O-N 3.27Å; I273-G275 VanDerWaalsContact C-N 3.31Å; I273-G275 PolarHBondContact O-N 3.34Å; I273-I276 PolarHBondContact O-N 3.28Å; I273-C277 WeakPolarHBondContact O-CB 3.43Å; I273-C277 PolarHBondContact O-N 2.96Å; I273-C277 PolarHBondContact O-SG 2.92Å
274I87.8Confident86.3Confident88 Ų8846.7 Ų46.745%0.45124%0.241SC..Hα-helixtrans-60-45.1179.4-67.6168.6000110.1Y20 K270 Y271 C277 L278Y20-I274 HydrophobicContact CD2-CG2 3.99Å; Y20-I274 HydrophobicContact CE2-CB 4.24Å; Y20-I274 HydrophobicContact CE2-CG2 3.64Å; K270-I274 WeakPolarHBondContact O-CB 3.15Å; K270-I274 WeakPolarHBondContact O-CD1 3.34Å; K270-I274 WeakPolarHBondContact O-CG1 3.31Å; K270-I274 PolarHBondContact O-N 3.34Å; K270-I274 VanDerWaalsContact O-N 3.16Å; Y271-I274 PolarHBondContact O-N 2.83Å; I274-C277 PolarHBondContact O-N 3.38Å; I274-L278 HydrophobicContact CG2-CD1 4.07Å; I274-L278 WeakPolarHBondContact O-CG 3.34Å; I274-L278 PolarHBondContact O-N 3.38Å
275G88Confident86.1Confident1 Ų147.3 Ų47.31%0.0125%0.245CC..Hα-helixtrans-60.3-49.2177.100000112.8Y271 G272 I273 C277 L278 H279Y271-G275 PolarHBondContact O-N 3.03Å; Y271-G275 VanDerWaalsContact O-N 3.08Å; G272-G275 PolarHBondContact O-N 3Å; I273-G275 VanDerWaalsContact C-N 3.31Å; I273-G275 PolarHBondContact O-N 3.34Å; G275-C277 PolarHBondContact O-N 2.95Å; G275-L278 PolarHBondContact O-N 3.37Å; G275-H279 PolarHBondContact O-CD2 3.32Å; G275-H279 PolarHBondContact O-N 3.45Å; G275-H279 VanDerWaalsContact O-N 3.08Å
276I89Confident85.6Confident35 Ų3543.8 Ų43.818%0.17923%0.232CC..Hα-helixtrans-61.7-43.1178.8-68.6166.8000111I115 F118 G272 I273 L278 H279 I280I115-I276 HydrophobicContact CG1-CD1 4.35Å; I115-I276 HydrophobicContact CG1-CG1 4.17Å; F118-I276 HydrophobicContact CB-CD1 4.22Å; F118-I276 HydrophobicContact CD1-CD1 3.78Å; F118-I276 HydrophobicContact CE1-CD1 4.48Å; F118-I276 HydrophobicContact CG-CD1 4.2Å; G272-I276 WeakPolarHBondContact O-CB 3.4Å; G272-I276 VanDerWaalsContact O-CG1 3.29Å; G272-I276 WeakPolarHBondContact O-CG1 3.34Å; G272-I276 PolarHBondContact O-N 3.06Å; I273-I276 PolarHBondContact O-N 3.28Å; I276-L278 PolarHBondContact O-N 3.3Å; I276-H279 PolarHBondContact O-N 3.01Å; I276-I280 HydrophobicContact CG2-CD1 3.62Å; I276-I280 HydrophobicContact CG2-CG1 4.25Å; I276-I280 VanDerWaalsContact O-CG1 3.29Å; I276-I280 WeakPolarHBondContact O-CG1 3.47Å; I276-I280 PolarHBondContact O-N 3.19Å
277C90.2Very high84.9Confident63 Ų6344.1 Ų44.143%0.42623%0.234SC..Hα-helixtrans-61.6-43.2177.7-73.70000112.6I273 I274 G275 I280 M281I273-C277 WeakPolarHBondContact O-CB 3.43Å; I273-C277 PolarHBondContact O-N 2.96Å; I273-C277 PolarHBondContact O-SG 2.92Å; I274-C277 PolarHBondContact O-N 3.38Å; G275-C277 PolarHBondContact O-N 2.95Å; C277-I280 PolarHBondContact O-N 3.35Å; C277-M281 WeakPolarHBondContact O-CG 3.46Å; C277-M281 PolarHBondContact O-N 3.05Å
278L89.3Confident84.2Confident22 Ų2246 Ų4612%0.11525%0.247CC..Hα-helixtrans-61.6-44.2176.2-72.6168.9000111.6L16 I17 Y20 I274 G275 I276 M281 R282L16-L278 HydrophobicContact CB-CD2 4.08Å; I17-L278 HydrophobicContact CG1-CB 3.84Å; Y20-L278 HydrophobicContact CD1-CD1 4.23Å; Y20-L278 HydrophobicContact CD2-CD1 4.07Å; Y20-L278 HydrophobicContact CG-CD1 3.78Å; I274-L278 HydrophobicContact CG2-CD1 4.07Å; I274-L278 WeakPolarHBondContact O-CG 3.34Å; I274-L278 PolarHBondContact O-N 3.38Å; G275-L278 PolarHBondContact O-N 3.37Å; I276-L278 PolarHBondContact O-N 3.3Å; L278-M281 HydrophobicContact CD2-CE 3.76Å; L278-M281 HydrophobicContact CG-CE 4.43Å; L278-M281 PolarHBondContact O-N 3.34Å; L278-R282 PolarHBondContact O-N 2.93Å
279H89.7Confident83.4Confident4 Ų446 Ų462%0.01925%0.247CC..Hα-helixtrans-65.8-39.1176.9-81.6-63.3000112.8E59 T110 T111 S114 G275 I276 R282 L283E59-H279 IonicContact OE1-CD2 3.28Å; E59-H279 IonicContact OE1-CE1 3.79Å; E59-H279 IonicContact OE1-NE2 3.85Å; E59-H279 PolarHBondContact OE1-NE2 2.95Å; T110-H279 PolarHBondContact OG1-CE1 3.28Å; T111-H279 HydrophobicContact CG2-CB 3.74Å; S114-H279 WeakPolarHBondContact CB-CD2 3.08Å; G275-H279 PolarHBondContact O-CD2 3.32Å; G275-H279 PolarHBondContact O-N 3.45Å; G275-H279 VanDerWaalsContact O-N 3.08Å; I276-H279 PolarHBondContact O-N 3.01Å; H279-R282 PolarHBondContact O-N 3.09Å; H279-L283 WeakPolarHBondContact O-CB 3.39Å; H279-L283 PolarHBondContact O-N 3.41Å
280I87.4Confident82.3Confident91 Ų9146 Ų4647%0.46724%0.243SC..Hα-helixtrans-65.2-41.4174.2-70170.5000110.8I276 C277 R282 L283 T284I276-I280 HydrophobicContact CG2-CD1 3.62Å; I276-I280 HydrophobicContact CG2-CG1 4.25Å; I276-I280 VanDerWaalsContact O-CG1 3.29Å; I276-I280 WeakPolarHBondContact O-CG1 3.47Å; I276-I280 PolarHBondContact O-N 3.19Å; C277-I280 PolarHBondContact O-N 3.35Å; I280-R282 VanDerWaalsContact C-N 3.33Å; I280-R282 PolarHBondContact O-N 3.44Å; I280-L283 PolarHBondContact O-N 2.53Å; I280-T284 HydrophobicContact CG2-CG2 4.29Å; I280-T284 VanDerWaalsContact O-CG2 3.31Å; I280-T284 WeakPolarHBondContact O-CG2 3.3Å; I280-T284 PolarHBondContact O-N 2.97Å; I280-T284 PolarHBondContact O-OG1 3.46Å
281M85.5Confident81Confident89 Ų8944.5 Ų44.544%0.43824%0.242SC..Hα-helixtrans-60.7-43.4173.9-75.7-171.3-66.400111T13 C277 L278 T284 T285T13-M281 HydrophobicContact CG2-CB 4.45Å; C277-M281 WeakPolarHBondContact O-CG 3.46Å; C277-M281 PolarHBondContact O-N 3.05Å; L278-M281 HydrophobicContact CD2-CE 3.76Å; L278-M281 HydrophobicContact CG-CE 4.43Å; L278-M281 PolarHBondContact O-N 3.34Å; M281-T284 WeakPolarHBondContact CA-OG1 3.47Å; M281-T284 PolarHBondContact O-N 3.43Å; M281-T284 PolarHBondContact O-OG1 3.16Å; M281-T285 WeakPolarHBondContact O-CG2 3.29Å; M281-T285 PolarHBondContact O-N 3.08Å; M281-T285 VanDerWaalsContact O-N 3.11Å
282R86.2Confident79.8Confident2 Ų247.2 Ų47.21%0.00826%0.255CS..Hα-helixtrans-62.6-46.2174.5-170.5173.874169.415.9112.1T14 I17 D62 T110 L278 H279 I280 T284 T285 C286T14-R282 HydrophobicContact CG2-CG 4.48Å; I17-R282 HydrophobicContact CD1-CB 3.9Å; I17-R282 HydrophobicContact CD1-CG 4.39Å; D62-R282 IonicContact OD1-NH1 2.88Å; D62-R282 IonicContact OD1-NH2 3.64Å; D62-R282 IonicContact OD2-CZ 2.85Å; D62-R282 IonicContact OD2-NH1 3.56Å; D62-R282 PolarHBondContact OD2-NH1 3.04Å; D62-R282 IonicContact OD2-NH2 3.53Å; D62-R282 PolarHBondContact OD2-NH2 3.45Å; T110-R282 PolarHBondContact OG1-NH2 3.17Å; L278-R282 PolarHBondContact O-N 2.93Å; H279-R282 PolarHBondContact O-N 3.09Å; I280-R282 VanDerWaalsContact C-N 3.33Å; I280-R282 PolarHBondContact O-N 3.44Å; R282-T284 VanDerWaalsContact C-N 3.34Å; R282-T284 PolarHBondContact O-N 3.46Å; R282-T285 PolarHBondContact O-N 3.35Å; R282-T285 PolarHBondContact O-OG1 2.93Å; R282-C286 WeakPolarHBondContact O-CB 3.46Å; R282-C286 PolarHBondContact O-N 2.96Å
283L84Confident78.2Confident32 Ų3248.6 Ų48.617%0.16826%0.263CS..Hα-helixtrans-61.4-41.1179.5-170.272.9000112I107 W108 T111 H279 I280 C286 C287I107-L283 HydrophobicContact CG2-CD1 4.02Å; W108-L283 HydrophobicContact CD2-CD1 4.09Å; W108-L283 HydrophobicContact CH2-CD1 4.5Å; W108-L283 HydrophobicContact CH2-CD2 4.11Å; W108-L283 HydrophobicContact CZ2-CD1 4.05Å; W108-L283 HydrophobicContact CZ2-CD2 4.36Å; W108-L283 HydrophobicContact CZ3-CD2 4.35Å; T111-L283 HydrophobicContact CG2-CB 4.32Å; T111-L283 HydrophobicContact CG2-CD1 4.46Å; H279-L283 WeakPolarHBondContact O-CB 3.39Å; H279-L283 PolarHBondContact O-N 3.41Å; I280-L283 PolarHBondContact O-N 2.53Å; L283-C286 WeakPolarHBondContact O-CB 3.14Å; L283-C286 PolarHBondContact O-N 2.88Å; L283-C287 PolarHBondContact O-N 2.7Å; L283-C287 PolarHBondContact O-SG 3.31Å; L283-C287 VanDerWaalsContact O-SG 3.38Å
284T80.1Confident76.3Confident74 Ų7448.4 Ų48.445%0.45426%0.26SS..Hα-helixtrans-65.5-41.6177.252.80000111.6I280 M281 R282 C286 C287 V288I280-T284 HydrophobicContact CG2-CG2 4.29Å; I280-T284 VanDerWaalsContact O-CG2 3.31Å; I280-T284 WeakPolarHBondContact O-CG2 3.3Å; I280-T284 PolarHBondContact O-N 2.97Å; I280-T284 PolarHBondContact O-OG1 3.46Å; M281-T284 WeakPolarHBondContact CA-OG1 3.47Å; M281-T284 PolarHBondContact O-N 3.43Å; M281-T284 PolarHBondContact O-OG1 3.16Å; R282-T284 VanDerWaalsContact C-N 3.34Å; R282-T284 PolarHBondContact O-N 3.46Å; T284-C286 VanDerWaalsContact C-N 3.31Å; T284-C286 PolarHBondContact O-N 3.36Å; T284-C287 PolarHBondContact O-N 3.33Å; T284-V288 VanDerWaalsContact O-CG2 3.3Å; T284-V288 WeakPolarHBondContact O-CG2 3.45Å; T284-V288 PolarHBondContact O-N 2.89Å; T284-V288 VanDerWaalsContact O-N 3.08Å
285T75.8Confident74.3Confident14 Ų1451.6 Ų51.69%0.08627%0.271CS..Hα-helixtrans-61.1-40.2172.665.90000111.8L9 T13 M281 R282 V288 V289L9-T285 HydrophobicContact CD2-CG2 3.56Å; L9-T285 HydrophobicContact CG-CG2 3.75Å; T13-T285 HydrophobicContact CG2-CG2 4.4Å; M281-T285 WeakPolarHBondContact O-CG2 3.29Å; M281-T285 PolarHBondContact O-N 3.08Å; M281-T285 VanDerWaalsContact O-N 3.11Å; R282-T285 PolarHBondContact O-N 3.35Å; R282-T285 PolarHBondContact O-OG1 2.93Å; T285-V288 PolarHBondContact O-N 3.34Å; T285-V289 WeakPolarHBondContact O-CG2 3.33Å; T285-V289 PolarHBondContact O-N 3.42Å
286C72.9Confident72.2Confident9 Ų957.6 Ų57.66%0.06130%0.297CS..Hα-helixtrans-63.6-44.8176.3-176.20000112.7W99 I107 R282 L283 T284 V288 V289 Y290W99-C286 HydrophobicContact CH2-CB 4.43Å; W99-C286 WeakPolarHBondContact CH2-SG 3.45Å; W99-C286 WeakPolarHBondContact CZ2-SG 3.25Å; I107-C286 HydrophobicContact CD1-CB 4.39Å; R282-C286 WeakPolarHBondContact O-CB 3.46Å; R282-C286 PolarHBondContact O-N 2.96Å; L283-C286 WeakPolarHBondContact O-CB 3.14Å; L283-C286 PolarHBondContact O-N 2.88Å; T284-C286 VanDerWaalsContact C-N 3.31Å; T284-C286 PolarHBondContact O-N 3.36Å; C286-V288 VanDerWaalsContact C-N 3.26Å; C286-V288 PolarHBondContact O-N 3.35Å; C286-V289 WeakPolarHBondContact O-CB 3.29Å; C286-V289 PolarHBondContact O-N 2.75Å; C286-Y290 PolarHBondContact O-N 2.76Å
287C71.1Confident69.9Low62 Ų6259.7 Ų59.742%0.41931%0.308SS..Hα-helixtrans-62.1-34.5175.7-71.50000112.1L283 T284 N291L283-C287 PolarHBondContact O-N 2.7Å; L283-C287 PolarHBondContact O-SG 3.31Å; L283-C287 VanDerWaalsContact O-SG 3.38Å; T284-C287 PolarHBondContact O-N 3.33Å; C287-N291 PolarHBondContact O-N 3.03Å; C287-N291 VanDerWaalsContact O-N 3.12Å
288V70Confident67.4Low73 Ų7362.2 Ų62.244%0.44232%0.317SS..Hα-helixtrans-68.6-40.2174.6173.90000111.5I6 T284 T285 C286 Q292I6-V288 HydrophobicContact CD1-CG1 4.04Å; T284-V288 VanDerWaalsContact O-CG2 3.3Å; T284-V288 WeakPolarHBondContact O-CG2 3.45Å; T284-V288 PolarHBondContact O-N 2.89Å; T284-V288 VanDerWaalsContact O-N 3.08Å; T285-V288 PolarHBondContact O-N 3.34Å; C286-V288 VanDerWaalsContact C-N 3.26Å; C286-V288 PolarHBondContact O-N 3.35Å; V288-Q292 PolarHBondContact O-N 3.48Å
289V67.3Low64.9Low1 Ų166.2 Ų66.21%0.00634%0.338CS..Hα-helixtrans-59.4-50.4173.1-177.40000110.1Y3 I6 W70 W99 T285 C286 N291 Q292 T293Y3-V289 HydrophobicContact CE2-CG1 4.11Å; I6-V289 HydrophobicContact CG2-CB 4.3Å; I6-V289 HydrophobicContact CG2-CG2 3.14Å; W70-V289 HydrophobicContact CH2-CB 4.31Å; W70-V289 HydrophobicContact CH2-CG1 4.05Å; W70-V289 HydrophobicContact CH2-CG2 3.54Å; W70-V289 HydrophobicContact CZ2-CG2 4.39Å; W70-V289 HydrophobicContact CZ3-CG2 4.24Å; W99-V289 HydrophobicContact CZ2-CG1 4.43Å; T285-V289 WeakPolarHBondContact O-CG2 3.33Å; T285-V289 PolarHBondContact O-N 3.42Å; C286-V289 WeakPolarHBondContact O-CB 3.29Å; C286-V289 PolarHBondContact O-N 2.75Å; V289-N291 PolarHBondContact O-N 3.49Å; V289-Q292 PolarHBondContact O-N 2.86Å; V289-T293 HydrophobicContact CG1-CG2 4.24Å; V289-T293 PolarHBondContact O-N 3.2Å; V289-T293 PolarHBondContact O-OG1 2.77Å
290Y63.3Low62.3Low74 Ų7470.3 Ų70.329%0.2936%0.361SS..Hα-helixtrans-59.2-49.6-175-177.5-95.7000112.2C286 Q292 T293 E294C286-Y290 PolarHBondContact O-N 2.76Å; Y290-Q292 PolarHBondContact O-N 2.94Å; Y290-T293 WeakPolarHBondContact CA-OG1 3.38Å; Y290-T293 PolarHBondContact O-N 2.9Å; Y290-T293 PolarHBondContact O-OG1 3.12Å; Y290-T293 VanDerWaalsContact O-OG1 3.09Å; Y290-E294 HydrophobicContact CE1-CB 4.38Å; Y290-E294 WeakPolarHBondContact CE1-OE2 3.44Å; Y290-E294 WeakPolarHBondContact O-CB 3.43Å; Y290-E294 PolarHBondContact O-N 3.08Å; Y290-E294 VanDerWaalsContact OH-CD 3.28Å; Y290-E294 PolarHBondContact OH-OE1 2.88Å
291N61.2Low59.6Low101 Ų10172.6 Ų72.654%0.5437%0.373SS..Hα-helixtrans-59.8-20.8178.2-86.3-24000113.2C287 V289 K295C287-N291 PolarHBondContact O-N 3.03Å; C287-N291 VanDerWaalsContact O-N 3.12Å; V289-N291 PolarHBondContact O-N 3.49Å; N291-K295 WeakPolarHBondContact O-CB 3.15Å; N291-K295 WeakPolarHBondContact O-CG 3.38Å
292Q60Low57.2Low68 Ų6873.8 Ų73.832%0.31839%0.385SS..Hα-helixtrans-91.6-38.4175.2-75.4-176.9-2.900113.7V288 V289 Y290 K296V288-Q292 PolarHBondContact O-N 3.48Å; V289-Q292 PolarHBondContact O-N 2.86Å; Y290-Q292 PolarHBondContact O-N 2.94Å; Q292-K296 PolarHBondContact O-N 2.88Å
293T54.7Low54.6Low28 Ų2881 Ų8117%0.17242%0.419CS..Hα-helixtrans-68.6-40.617747.40000111.5Y3 V289 Y290 K296 N297Y3-T293 HydrophobicContact CE2-CG2 4.2Å; V289-T293 HydrophobicContact CG1-CG2 4.24Å; V289-T293 PolarHBondContact O-N 3.2Å; V289-T293 PolarHBondContact O-OG1 2.77Å; Y290-T293 WeakPolarHBondContact CA-OG1 3.38Å; Y290-T293 PolarHBondContact O-N 2.9Å; Y290-T293 PolarHBondContact O-OG1 3.12Å; Y290-T293 VanDerWaalsContact O-OG1 3.09Å; T293-K296 WeakPolarHBondContact O-CB 3.4Å; T293-K296 PolarHBondContact O-N 3.38Å; T293-K296 VanDerWaalsContact O-N 3.13Å; T293-N297 PolarHBondContact O-N 2.68Å
294E48.9Very low51.9Low85 Ų8585.8 Ų85.840%0.39744%0.443SS..Hα-helixtrans-67.8-41178.7-158.7178.4-139.500111.4Y290 K296 N297 L298Y290-E294 HydrophobicContact CE1-CB 4.38Å; Y290-E294 WeakPolarHBondContact CE1-OE2 3.44Å; Y290-E294 WeakPolarHBondContact O-CB 3.43Å; Y290-E294 PolarHBondContact O-N 3.08Å; Y290-E294 VanDerWaalsContact OH-CD 3.28Å; Y290-E294 PolarHBondContact OH-OE1 2.88Å; E294-K296 PolarHBondContact O-N 3.42Å; E294-N297 PolarHBondContact O-N 2.83Å; E294-N297 VanDerWaalsContact O-N 3.14Å; E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 PolarHBondContact O-N 2.83Å
295K44.6Very low49.4Very low156 Ų15690.7 Ų90.768%0.67846%0.458SS*.Hα-helixtrans-57.9-30.2171.2-87.2-176.4176.7-179.50113.1N291 N299N291-K295 WeakPolarHBondContact O-CB 3.15Å; N291-K295 WeakPolarHBondContact O-CG 3.38Å; K295-N299 WeakPolarHBondContact O-CB 3.14Å; K295-N299 PolarHBondContact O-N 3.11Å; K295-N299 PolarHBondContact O-ND2 3.42Å
296K44.1Very low46.9Very low127 Ų12798.6 Ų98.655%0.55249%0.494SS*.Hα-helixtrans-78.5-41.8173.9-94.7-175.1173.3-177.50112.9Q292 T293 E294 N299 N300Q292-K296 PolarHBondContact O-N 2.88Å; T293-K296 WeakPolarHBondContact O-CB 3.4Å; T293-K296 PolarHBondContact O-N 3.38Å; T293-K296 VanDerWaalsContact O-N 3.13Å; E294-K296 PolarHBondContact O-N 3.42Å; K296-N299 PolarHBondContact O-N 3.2Å; K296-N300 WeakPolarHBondContact O-CB 3.27Å; K296-N300 PolarHBondContact O-N 2.87Å
297N42.3Very low44.7Very low78 Ų78108 Ų10842%0.41753%0.53SS..Hα-helixtrans-69.3-38.4179.7-78.3-9.7000112.1T293 E294 N299 N300 L301T293-N297 PolarHBondContact O-N 2.68Å; E294-N297 PolarHBondContact O-N 2.83Å; E294-N297 VanDerWaalsContact O-N 3.14Å; N297-N299 VanDerWaalsContact C-N 3.32Å; N297-N299 PolarHBondContact O-N 3.45Å; N297-N300 PolarHBondContact O-N 3.48Å; N297-L301 PolarHBondContact O-N 3.12Å
298L36.3Very low42.4Very low117 Ų117110.9 Ų110.961%0.61355%0.551SS**Hα-helixtrans-63.4-40.7175.7-144.586.9000111E294 V302E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 PolarHBondContact O-N 2.83Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.4Å
299N37.2Very low40.3Very low105 Ų105116.7 Ų116.756%0.56157%0.57SS**Hα-helixtrans-68.4-36.5176.1-72.5-3.1000112.2K295 K296 N297 V302 E303K295-N299 WeakPolarHBondContact O-CB 3.14Å; K295-N299 PolarHBondContact O-N 3.11Å; K295-N299 PolarHBondContact O-ND2 3.42Å; K296-N299 PolarHBondContact O-N 3.2Å; N297-N299 VanDerWaalsContact C-N 3.32Å; N297-N299 PolarHBondContact O-N 3.45Å; N299-V302 PolarHBondContact O-N 2.85Å; N299-E303 PolarHBondContact O-N 3.48Å
300N36Very low38.3Very low91 Ų91127.8 Ų127.849%0.48761%0.612SS.*Hα-helixtrans-74.1-34.4178-79.23000113.4K296 N297 V302 E303 I304K296-N300 WeakPolarHBondContact O-CB 3.27Å; K296-N300 PolarHBondContact O-N 2.87Å; N297-N300 PolarHBondContact O-N 3.48Å; N300-V302 VanDerWaalsContact C-N 3.27Å; N300-V302 PolarHBondContact O-N 3.18Å; N300-E303 PolarHBondContact O-N 3.22Å; N300-E303 VanDerWaalsContact O-N 3.11Å; N300-I304 WeakPolarHBondContact O-CG1 3.36Å; N300-I304 PolarHBondContact O-N 3.16Å
301L31Very low36.5Very low138 Ų138129.8 Ų129.872%0.72364%0.637SS**Hα-helixtrans-68.2-29174.8-96.7147.3000112.2N297 E303N297-L301 PolarHBondContact O-N 3.12Å; L301-E303 VanDerWaalsContact C-N 3.29Å
302V33.8Very low34.9Very low114 Ų114130.6 Ų130.669%0.69165%0.65SS**Hα-helixtrans-73.9-22.3171.8176.40000111.7L298 N299 N300L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.4Å; N299-V302 PolarHBondContact O-N 2.85Å; N300-V302 VanDerWaalsContact C-N 3.27Å; N300-V302 PolarHBondContact O-N 3.18Å
303E32Very low33.2Very low153 Ų153131.2 Ų131.272%0.71567%0.667SS**Hα-helixtrans-97.4-2.1-177.8-76.8-173.3167.700115.9N299 N300 L301 K305N299-E303 PolarHBondContact O-N 3.48Å; N300-E303 PolarHBondContact O-N 3.22Å; N300-E303 VanDerWaalsContact O-N 3.11Å; L301-E303 VanDerWaalsContact C-N 3.29Å; E303-K305 PolarHBondContact O-N 2.95Å; E303-K305 VanDerWaalsContact O-N 3.15Å
304I28.2Very low31.9Very low133 Ų133139.8 Ų139.868%0.68270%0.698SS**  trans-76.97176.3-66.1163.3000113.1N300 Q306N300-I304 WeakPolarHBondContact O-CG1 3.36Å; N300-I304 PolarHBondContact O-N 3.16Å; I304-Q306 VanDerWaalsContact C-N 3.3Å; I304-Q306 PolarHBondContact O-N 3.48Å
305K25.7Very low30.9Very low178 Ų178145.8 Ų145.877%0.77472%0.723SS**SBendtrans-71.689.4162.7-83-173.8176-179.30110.6E303 Y307E303-K305 PolarHBondContact O-N 2.95Å; E303-K305 VanDerWaalsContact O-N 3.15Å; K305-Y307 PolarHBondContact O-N 3.49Å
306Q23.5Very low30Very low180 Ų180144 Ų14484%0.84173%0.725SS**  trans20.192.8147.3-73.2171.6-39.400115.4I304I304-Q306 VanDerWaalsContact C-N 3.3Å; I304-Q306 PolarHBondContact O-N 3.48Å
307Y27Very low29.3Very low207 Ų207142.7 Ų142.781%0.81273%0.732SS**  trans-132109.6147.6-79.7-77.3000109.7K305 F309K305-Y307 PolarHBondContact O-N 3.49Å; Y307-F309 PolarHBondContact O-N 2.82Å; Y307-F309 VanDerWaalsContact O-N 3.12Å
308S23.1Very low28.6Very low122 Ų122147 Ų14785%0.85375%0.754SS**  trans-63.499.7169.951.80000109.6
309F26.5Very low28.1Very low195 Ų195150 Ų15086%0.85576%0.762SS**  trans-99.8110.3167.2-107.7-85.1000110.5Y307Y307-F309 PolarHBondContact O-N 2.82Å; Y307-F309 VanDerWaalsContact O-N 3.12Å
310R25.6Very low27.9Very low233 Ų233152.3 Ų152.388%0.87978%0.775SS**  trans-52.7139.6170.3-87.7175.2167.5172-4.5110.9
311S25.3Very low27.3Very low117 Ų117153.6 Ų153.682%0.81879%0.786SS**  trans-39.3125.3164.653.30000114.2
312S27.7Very low27.1Very low117 Ų117156.4 Ų156.482%0.81879%0.787SS**  trans-133.7120.5141.457.60000108.6
313A24.6Very low27Very low81 Ų81159.1 Ų159.167%0.66979%0.786SS**  trans-64.6172.4170.700000110.6
314Y27Very low27.1Very low208 Ų208155.7 Ų155.782%0.81677%0.772SS**  trans88.997.4-176-60.2-81.5000114.2
315F27.8Very low27.7Very low211 Ų211151.5 Ų151.593%0.92575%0.754SS**  -166.1116.1105.7-103.5-77.1000109.7
316T25.8Very low28.4Very low118 Ų118145.1 Ų145.172%0.72473%0.728SS**  trans-75.2136.5176.237.30000111.7
317S28Very low29.3Very low100 Ų100140 Ų14070%0.69971%0.713SS**  trans31.488.715467.20000119.5
318L27.4Very low30.1Very low169 Ų169135 Ų13589%0.88570%0.697SS**  trans-109.490.5136.2-107.589.3000107.7
319K26.8Very low31Very low180 Ų180132 Ų13278%0.78367%0.671SS**  trans-72.3145.4164.2-80.2176.1173.4174.80108.2
320D32.4Very low31.8Very low154 Ų154123.7 Ų123.782%0.82464%0.636SS**SBendtrans97.117.3157.8-53.2-24.2000121.5
321T25Very low32.6Very low117 Ų117117.4 Ų117.472%0.71862%0.62SS**  trans-127.1114.2156.855.40000111.5Y323T321-Y323 VanDerWaalsContact C-N 3.29Å; T321-Y323 PolarHBondContact O-N 2.96Å
322R26.8Very low33.3Very low198 Ų198114.6 Ų114.675%0.74760%0.603SS**  trans-66.286.8176.7-65.9178.6-166.5168.55.9109M1 I324M1-R322 HydrophobicContact CE-CB 4.46Å; R322-I324 PolarHBondContact O-N 2.92Å
323Y31.4Very low33.9Very low171 Ų171111.1 Ų111.167%0.67158%0.579SS**  trans-65.2103.8177-156.4-82.4000109.4T321 S325 N326T321-Y323 VanDerWaalsContact C-N 3.29Å; T321-Y323 PolarHBondContact O-N 2.96Å; Y323-S325 PolarHBondContact O-N 3.32Å; Y323-N326 VanDerWaalsContact CE1-OD1 3.27Å; Y323-N326 WeakPolarHBondContact CE1-OD1 3.42Å; Y323-N326 PolarHBondContact OH-ND2 2.89Å; Y323-N326 PolarHBondContact OH-OD1 3.46Å
324I34.3Very low34.7Very low80 Ų80112.2 Ų112.241%0.4157%0.57SS.*  trans-65.2121.3163.8-64.4172.8000105.5M1 R322 N326 H328 L329M1-I324 HydrophobicContact CG-CD1 4.33Å; M1-I324 HydrophobicContact CG-CG1 4.2Å; R322-I324 PolarHBondContact O-N 2.92Å; I324-N326 PolarHBondContact O-N 3.26Å; I324-H328 HydrophobicContact CG2-CB 4.42Å; I324-L329 HydrophobicContact CG2-CB 4.28Å; I324-L329 HydrophobicContact CG2-CD1 4.25Å
325S39.4Very low35.5Very low45 Ų45107.1 Ų107.132%0.31556%0.564SS.*  trans-56.9129.5179.772.10000109.2Y323 S327 H328 L329Y323-S325 PolarHBondContact O-N 3.32Å; S325-S327 PolarHBondContact O-N 3.19Å; S325-S327 PolarHBondContact OG-OG 2.9Å; S325-H328 PolarHBondContact O-N 3.5Å; S325-H328 PolarHBondContact OG-CD2 3.31Å; S325-H328 VanDerWaalsContact OG-CD2 3.31Å; S325-H328 PolarHBondContact OG-N 2.85Å; S325-L329 PolarHBondContact O-N 2.87Å
326N41.4Very low36Very low44 Ų44104.2 Ų104.224%0.23555%0.548CS..Hα-helixtrans-53.1-24.6-178.7-64.23.6000112.4Y323 I324 S330 F367Y323-N326 VanDerWaalsContact CE1-OD1 3.27Å; Y323-N326 WeakPolarHBondContact CE1-OD1 3.42Å; Y323-N326 PolarHBondContact OH-ND2 2.89Å; Y323-N326 PolarHBondContact OH-OD1 3.46Å; I324-N326 PolarHBondContact O-N 3.26Å; N326-S330 WeakPolarHBondContact O-CB 3.36Å; N326-S330 PolarHBondContact O-N 2.86Å; N326-F367 HydrophobicContact CB-CE1 4.49Å
327S42.4Very low36.9Very low73 Ų73107.7 Ų107.751%0.5155%0.548SS..Hα-helixtrans-66.9-42.4172.357.80000113.8S325 S330 I331S325-S327 PolarHBondContact O-N 3.19Å; S325-S327 PolarHBondContact OG-OG 2.9Å; S327-S330 WeakPolarHBondContact O-CB 3.38Å; S327-S330 PolarHBondContact O-N 3Å; S327-I331 WeakPolarHBondContact O-CG1 3.43Å; S327-I331 PolarHBondContact O-N 3.4Å
328H43.5Very low37.3Very low102 Ų102105.2 Ų105.247%0.47253%0.527SS..Hα-helixtrans-72.2-35.7179.1-92.8-65.2000111.5I324 S325 A332I324-H328 HydrophobicContact CG2-CB 4.42Å; S325-H328 PolarHBondContact O-N 3.5Å; S325-H328 PolarHBondContact OG-CD2 3.31Å; S325-H328 VanDerWaalsContact OG-CD2 3.31Å; S325-H328 PolarHBondContact OG-N 2.85Å; H328-A332 PolarHBondContact O-N 3Å; H328-A332 VanDerWaalsContact O-N 3.09Å
329L41.8Very low37.9Very low60 Ų6099.3 Ų99.331%0.31450%0.496SS..Hα-helixtrans-64.7-41.6171-155.581.3000110.7I324 S325 I331 A332 C333 F367I324-L329 HydrophobicContact CG2-CB 4.28Å; I324-L329 HydrophobicContact CG2-CD1 4.25Å; S325-L329 PolarHBondContact O-N 2.87Å; L329-I331 PolarHBondContact O-N 3.43Å; L329-A332 PolarHBondContact O-N 3.2Å; L329-C333 WeakPolarHBondContact O-CB 3.31Å; L329-C333 PolarHBondContact O-N 3.04Å; L329-C333 PolarHBondContact O-SG 3.38Å; L329-F367 HydrophobicContact CD2-CE1 4.08Å; L329-F367 HydrophobicContact CD2-CE2 3.93Å; L329-F367 HydrophobicContact CD2-CZ 3.33Å
330S42.6Very low38.7Very low19 Ų1992 Ų9213%0.13347%0.472CS..Hα-helixtrans-54.3-50.8173.8-168.10000111.9N326 S327 A332 C333 E334N326-S330 WeakPolarHBondContact O-CB 3.36Å; N326-S330 PolarHBondContact O-N 2.86Å; S327-S330 WeakPolarHBondContact O-CB 3.38Å; S327-S330 PolarHBondContact O-N 3Å; S330-A332 PolarHBondContact O-N 3.01Å; S330-C333 CarbonylContact O-C 3.6Å; S330-C333 PolarHBondContact O-N 3.39Å; S330-E334 WeakPolarHBondContact O-CB 3.36Å; S330-E334 WeakPolarHBondContact O-CG 3.28Å; S330-E334 PolarHBondContact O-N 3.04Å; S330-E334 PolarHBondContact OG-OE1 3.21Å; S330-E334 VanDerWaalsContact OG-OE1 3.04Å
331I42.7Very low39.1Very low102 Ų10292.3 Ų92.352%0.52347%0.469SS..Hα-helixtrans-64.6-40.6-179.3-64.8164.1000111.8S327 L329 C333 E334S327-I331 WeakPolarHBondContact O-CG1 3.43Å; S327-I331 PolarHBondContact O-N 3.4Å; L329-I331 PolarHBondContact O-N 3.43Å; I331-C333 VanDerWaalsContact C-N 3.35Å; I331-E334 PolarHBondContact O-N 3.23Å
332A39.4Very low40.2Very low58 Ų5888.7 Ų88.748%0.47945%0.447SS..Hα-helixtrans-65.2-42176.900000111.2H328 L329 S330 S335H328-A332 PolarHBondContact O-N 3Å; H328-A332 VanDerWaalsContact O-N 3.09Å; L329-A332 PolarHBondContact O-N 3.2Å; S330-A332 PolarHBondContact O-N 3.01Å; A332-S335 PolarHBondContact O-N 3.29Å; A332-S335 PolarHBondContact O-OG 3.47Å
333C42.3Very low41.2Very low44 Ų4482.1 Ų82.130%0.29744%0.435SS..Hα-helixtrans-71.8-28.7178.1-75.50000113.5L329 S330 I331 S335 Y336 L339L329-C333 WeakPolarHBondContact O-CB 3.31Å; L329-C333 PolarHBondContact O-N 3.04Å; L329-C333 PolarHBondContact O-SG 3.38Å; S330-C333 CarbonylContact O-C 3.6Å; S330-C333 PolarHBondContact O-N 3.39Å; I331-C333 VanDerWaalsContact C-N 3.35Å; C333-S335 PolarHBondContact O-N 3.06Å; C333-Y336 WeakPolarHBondContact O-CB 3.3Å; C333-Y336 PolarHBondContact O-N 3.5Å; C333-L339 HydrophobicContact CB-CD1 3.47Å; C333-L339 VanDerWaalsContact CB-CD1 3.47Å
334E41.1Very low42.2Very low104 Ų10480 Ų8049%0.48644%0.44SS..Hα-helixtrans-61.9-23.2171.8-81.1162.9-154.700112.7S330 I331 Y336S330-E334 WeakPolarHBondContact O-CB 3.36Å; S330-E334 WeakPolarHBondContact O-CG 3.28Å; S330-E334 PolarHBondContact O-N 3.04Å; S330-E334 PolarHBondContact OG-OE1 3.21Å; S330-E334 VanDerWaalsContact OG-OE1 3.04Å; I331-E334 PolarHBondContact O-N 3.23Å; E334-Y336 PolarHBondContact O-N 2.9Å
335S42.5Very low42.9Very low100 Ų10083.9 Ų83.970%0.69946%0.458SS*.THydrogen-bonded Turntrans-75.8-8.2173.274.30000113.6A332 C333A332-S335 PolarHBondContact O-N 3.29Å; A332-S335 PolarHBondContact O-OG 3.47Å; C333-S335 PolarHBondContact O-N 3.06Å
336Y38.2Very low43.4Very low151 Ų15185.4 Ų85.459%0.59246%0.46SS*.SBendtrans-105.1133.1178.1-98.6-95.4000112.1C333 E334 L338 L339C333-Y336 WeakPolarHBondContact O-CB 3.3Å; C333-Y336 PolarHBondContact O-N 3.5Å; E334-Y336 PolarHBondContact O-N 2.9Å; Y336-L338 PolarHBondContact O-N 3.3Å; Y336-L339 PolarHBondContact O-N 2.9Å
337W45Very low44.1Very low190 Ų19087.6 Ų87.672%0.7247%0.471SS*.THydrogen-bonded Turntrans-61.30.6-177.454.6-85000116.5
338L36.9Very low44.8Very low48 Ų4892.2 Ų92.225%0.25149%0.485SS..THydrogen-bonded Turntrans-89.1-3.3-179-76.9160.9000113.5Y336 F377 L378Y336-L338 PolarHBondContact O-N 3.3Å; L338-F377 HydrophobicContact CB-CZ 4.48Å; L338-F377 HydrophobicContact CD1-CZ 4.3Å; L338-F377 HydrophobicContact CD2-CE1 3.98Å; L338-F377 HydrophobicContact CD2-CZ 3.99Å; L338-F377 HydrophobicContact CG-CZ 4.5Å; L338-L378 PolarHBondContact O-N 3.5Å; L338-L378 VanDerWaalsContact O-N 3.08Å
339L40.6Very low45.5Very low45 Ų4593.2 Ų93.224%0.23649%0.488CS..EExtended strand (participates in β ladder)trans-138.3127.8-166.6-57.1169.7000111.2C333 Y336 V375 F377C333-L339 HydrophobicContact CB-CD1 3.47Å; C333-L339 VanDerWaalsContact CB-CD1 3.47Å; Y336-L339 PolarHBondContact O-N 2.9Å; L339-V375 HydrophobicContact CB-CG1 3.67Å; L339-V375 HydrophobicContact CD1-CG1 3.99Å; L339-V375 HydrophobicContact CD2-CG1 3.15Å; L339-V375 HydrophobicContact CG-CG1 3.72Å; L339-F377 HydrophobicContact CD2-CD2 4.13Å
340G41.9Very low46.2Very low28 Ų2892.1 Ų92.129%0.28948%0.481SS..EExtended strand (participates in β ladder)trans-128.6147.4178.900000111.9
341Q41.3Very low46.9Very low160 Ų16098 Ų9875%0.74851%0.505SS*.PPolyproline II helixtrans-69.5146.5172.1-78.5-176.4-12.200111.3
342P47.9Very low47.9Very low41 Ų4199 Ų9927%0.26651%0.51SS..PPolyproline II helixtrans-63.1140.9168.525.6-30.9000110.6Q346P342-Q346 HydrophobicContact CB-CB 4.16Å
343A48.9Very low48.7Very low60 Ų6099.4 Ų99.450%0.49650%0.501SS..PPolyproline II helixtrans-56.6148.817400000110.7M345 Q346A343-M345 PolarHBondContact O-N 3.5Å; A343-Q346 WeakPolarHBondContact O-CA 3.42Å; A343-Q346 WeakPolarHBondContact O-CB 3.44Å; A343-Q346 PolarHBondContact O-N 3.32Å
344V51.5Low49.2Very low127 Ų12797.7 Ų97.777%0.7749%0.489SS*.Hα-helixtrans-49.5-39.7-177.6179.60000112.3Q346 I347V344-Q346 PolarHBondContact O-N 2.58Å; V344-I347 WeakPolarHBondContact O-CB 3.44Å; V344-I347 WeakPolarHBondContact O-CG1 3.34Å; V344-I347 PolarHBondContact O-N 3.37Å; V344-I347 VanDerWaalsContact O-N 3.16Å
345M48.7Very low50.1Low161 Ų16199.2 Ų99.279%0.79350%0.495SS*.Hα-helixtrans-63-26.2178.2-130.9177.7169.700114A343A343-M345 PolarHBondContact O-N 3.5Å
346Q51.1Low50.8Low77 Ų77101.8 Ų101.836%0.3649%0.489SS..Hα-helixtrans-83.1-15.3179-64.9-176.5-1.400112.9P342 A343 V344 Q348 F349 E350P342-Q346 HydrophobicContact CB-CB 4.16Å; A343-Q346 WeakPolarHBondContact O-CA 3.42Å; A343-Q346 WeakPolarHBondContact O-CB 3.44Å; A343-Q346 PolarHBondContact O-N 3.32Å; V344-Q346 PolarHBondContact O-N 2.58Å; Q346-Q348 VanDerWaalsContact C-N 3.28Å; Q346-Q348 PolarHBondContact O-N 2.94Å; Q346-F349 CarbonylContact O-C 3Å; Q346-F349 PolarHBondContact O-N 3.35Å; Q346-E350 PolarHBondContact O-N 3.02Å; Q346-E350 VanDerWaalsContact O-N 3.14Å
347I55.1Low51.4Low90 Ų9095.1 Ų95.146%0.46246%0.464SS..Hα-helixtrans-63.3-36.2178.6-59.4174.9000110.5V344 F349 E350V344-I347 WeakPolarHBondContact O-CB 3.44Å; V344-I347 WeakPolarHBondContact O-CG1 3.34Å; V344-I347 PolarHBondContact O-N 3.37Å; V344-I347 VanDerWaalsContact O-N 3.16Å; I347-F349 VanDerWaalsContact C-N 3.27Å; I347-F349 PolarHBondContact O-N 3.23Å; I347-E350 VanDerWaalsContact O-CB 3.25Å; I347-E350 WeakPolarHBondContact O-CB 3.25Å; I347-E350 PolarHBondContact O-N 3.32Å
348Q58Low51.6Low169 Ų16991.6 Ų91.679%0.7946%0.455SS*.THydrogen-bonded Turntrans-62.9-32.3176.8-93.3-178.5-26.200113.4Q346Q346-Q348 VanDerWaalsContact C-N 3.28Å; Q346-Q348 PolarHBondContact O-N 2.94Å
349F58.7Low52.6Low123 Ų12398.4 Ų98.454%0.53948%0.483SS..THydrogen-bonded Turntrans-101.411.7-179.2-59.5-77.9000112.6Q346 I347 K351 L352 K353Q346-F349 CarbonylContact O-C 3Å; Q346-F349 PolarHBondContact O-N 3.35Å; I347-F349 VanDerWaalsContact C-N 3.27Å; I347-F349 PolarHBondContact O-N 3.23Å; F349-K351 VanDerWaalsContact C-N 3.27Å; F349-K351 PolarHBondContact O-N 2.84Å; F349-L352 HydrophobicContact CD1-CD1 4.45Å; F349-L352 PolarHBondContact O-N 3.46Å; F349-K353 WeakPolarHBondContact O-CB 3.41Å; F349-K353 PolarHBondContact O-N 3.31Å
350E55.2Low53.2Low38 Ų3899.4 Ų99.418%0.17849%0.493CS..Hα-helixtrans-55.4-42.5-170.5-165-172.416700112.2Q346 I347 S354 K372 H373Q346-E350 PolarHBondContact O-N 3.02Å; Q346-E350 VanDerWaalsContact O-N 3.14Å; I347-E350 VanDerWaalsContact O-CB 3.25Å; I347-E350 WeakPolarHBondContact O-CB 3.25Å; I347-E350 PolarHBondContact O-N 3.32Å; E350-S354 WeakPolarHBondContact O-CB 3.32Å; E350-S354 PolarHBondContact O-N 2.9Å; E350-S354 PolarHBondContact O-OG 2.89Å; E350-K372 WeakPolarHBondContact OE1-CA 2.96Å; E350-H373 HydrophobicContact CG-CB 4.23Å; E350-H373 PolarHBondContact OE1-N 3.24Å
351K58.3Low53.3Low143 Ų143101.4 Ų101.462%0.62250%0.497SS*.Hα-helixtrans-65.4-44.3177.6-135.7179-172.7178.40112.3F349 S354 K355 S371F349-K351 VanDerWaalsContact C-N 3.27Å; F349-K351 PolarHBondContact O-N 2.84Å; K351-S354 PolarHBondContact O-N 3.41Å; K351-S354 PolarHBondContact O-OG 3.26Å; K351-K355 PolarHBondContact O-N 3.24Å; K351-K355 VanDerWaalsContact O-N 3.15Å; K351-S371 WeakPolarHBondContact CE-OG 3.33Å
352L62.8Low53.5Low123 Ų123100.6 Ų100.664%0.64451%0.507SS*.Hα-helixtrans-68.1-44.8179.3-107.2156.3000111.4F349 S354 K355 W356F349-L352 HydrophobicContact CD1-CD1 4.45Å; F349-L352 PolarHBondContact O-N 3.46Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 2.99Å; L352-K355 PolarHBondContact O-N 2.94Å; L352-W356 WeakPolarHBondContact O-CB 3.28Å; L352-W356 PolarHBondContact O-N 2.93Å
353K57.3Low53.2Low66 Ų66102.1 Ų102.129%0.28751%0.512SS..Hα-helixtrans-62.7-40.3176.1-167.7-177.9-177.8-166.60111.1F349 W356 L357F349-K353 WeakPolarHBondContact O-CB 3.41Å; F349-K353 PolarHBondContact O-N 3.31Å; K353-W356 PolarHBondContact O-N 2.88Å; K353-L357 HydrophobicContact CG-CD1 4.05Å; K353-L357 HydrophobicContact CG-CG 4.46Å; K353-L357 WeakPolarHBondContact O-CB 3.32Å; K353-L357 VanDerWaalsContact O-CG 3.3Å; K353-L357 WeakPolarHBondContact O-CG 3.47Å; K353-L357 PolarHBondContact O-N 3.37Å
354S52.8Low53.1Low7 Ų7102.4 Ų102.45%0.04952%0.521CS..Hα-helixtrans-61.7-47.3175.876.40000112.4E350 K351 L352 W356 L357 E358 H373E350-S354 WeakPolarHBondContact O-CB 3.32Å; E350-S354 PolarHBondContact O-N 2.9Å; E350-S354 PolarHBondContact O-OG 2.89Å; K351-S354 PolarHBondContact O-N 3.41Å; K351-S354 PolarHBondContact O-OG 3.26Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 2.99Å; S354-W356 VanDerWaalsContact C-N 3.34Å; S354-W356 PolarHBondContact O-N 2.97Å; S354-L357 PolarHBondContact O-N 2.92Å; S354-E358 WeakPolarHBondContact O-CB 2.97Å; S354-E358 WeakPolarHBondContact O-CG 3.09Å; S354-E358 PolarHBondContact O-N 2.85Å; S354-H373 WeakPolarHBondContact CA-NE2 3.24Å; S354-H373 VanDerWaalsContact CB-CD2 3.49Å; S354-H373 WeakPolarHBondContact CB-CD2 3.48Å
355K59.9Low52.6Low137 Ų137107.2 Ų107.260%0.59653%0.526SS*.Hα-helixtrans-63.7-38.9175.4-85-174172.5-176.70112.8K351 L352 K359K351-K355 PolarHBondContact O-N 3.24Å; K351-K355 VanDerWaalsContact O-N 3.15Å; L352-K355 PolarHBondContact O-N 2.94Å; K355-K359 WeakPolarHBondContact O-CB 3.25Å; K355-K359 PolarHBondContact O-N 3.34Å; K355-K359 VanDerWaalsContact O-N 3.08Å
356W57.6Low52.2Low153 Ų153102.6 Ų102.658%0.5850%0.503SS*.Hα-helixtrans-64.6-50.7177.7-177.178.7000110.1L352 K353 S354 E358 K359 S360 I361L352-W356 WeakPolarHBondContact O-CB 3.28Å; L352-W356 PolarHBondContact O-N 2.93Å; K353-W356 PolarHBondContact O-N 2.88Å; S354-W356 VanDerWaalsContact C-N 3.34Å; S354-W356 PolarHBondContact O-N 2.97Å; W356-E358 VanDerWaalsContact C-N 3.33Å; W356-E358 PolarHBondContact O-N 3.48Å; W356-K359 PolarHBondContact O-N 3.02Å; W356-K359 VanDerWaalsContact O-N 3.13Å; W356-S360 VanDerWaalsContact CE2-OG 3.3Å; W356-S360 PolarHBondContact NE1-OG 3.15Å; W356-S360 PolarHBondContact O-N 3.43Å; W356-S360 PolarHBondContact O-OG 2.9Å; W356-I361 HydrophobicContact CE3-CD1 4.42Å; W356-I361 HydrophobicContact CH2-CD1 3.48Å; W356-I361 VanDerWaalsContact CH2-CD1 3.48Å; W356-I361 HydrophobicContact CH2-CG1 4.36Å; W356-I361 HydrophobicContact CZ2-CD1 4.3Å; W356-I361 HydrophobicContact CZ3-CD1 3.54Å; W356-I361 HydrophobicContact CZ3-CG1 4.41Å
357L51Low51.9Low12 Ų12103.8 Ų103.86%0.06351%0.507CS..Hα-helixtrans-58.4-42.9176.8-71.8169000112K353 S354 K359 I361 I363 M366K353-L357 HydrophobicContact CG-CD1 4.05Å; K353-L357 HydrophobicContact CG-CG 4.46Å; K353-L357 WeakPolarHBondContact O-CB 3.32Å; K353-L357 VanDerWaalsContact O-CG 3.3Å; K353-L357 WeakPolarHBondContact O-CG 3.47Å; K353-L357 PolarHBondContact O-N 3.37Å; S354-L357 PolarHBondContact O-N 2.92Å; L357-K359 PolarHBondContact O-N 3.37Å; L357-I361 HydrophobicContact CD2-CD1 4.19Å; L357-I361 CarbonylContact O-C 3.46Å; L357-I361 PolarHBondContact O-N 3.35Å; L357-I363 HydrophobicContact CD2-CD1 3.92Å; L357-M366 HydrophobicContact CB-SD 4.12Å
358E49Very low51.5Low116 Ų116107.2 Ų107.254%0.54252%0.515SS..Hα-helixtrans-57.8-43.4174.4-81.8177.2174.600113.1S354 W356 M366S354-E358 WeakPolarHBondContact O-CB 2.97Å; S354-E358 WeakPolarHBondContact O-CG 3.09Å; S354-E358 PolarHBondContact O-N 2.85Å; W356-E358 VanDerWaalsContact C-N 3.33Å; W356-E358 PolarHBondContact O-N 3.48Å; E358-M366 HydrophobicContact CG-CE 4.16Å
359K57.7Low50.8Low190 Ų190104.9 Ų104.983%0.82650%0.503SS*.Hα-helixtrans-88.9-30.8-171.9-74.3-168.4173.8-167.30114.4K355 W356 L357K355-K359 WeakPolarHBondContact O-CB 3.25Å; K355-K359 PolarHBondContact O-N 3.34Å; K355-K359 VanDerWaalsContact O-N 3.08Å; W356-K359 PolarHBondContact O-N 3.02Å; W356-K359 VanDerWaalsContact O-N 3.13Å; L357-K359 PolarHBondContact O-N 3.37Å
360S52.6Low50.5Low66 Ų66107.9 Ų107.946%0.46252%0.515SS..Hα-helixtrans-112.7-18.6-170.162.10000114.5W356W356-S360 VanDerWaalsContact CE2-OG 3.3Å; W356-S360 PolarHBondContact NE1-OG 3.15Å; W356-S360 PolarHBondContact O-N 3.43Å; W356-S360 PolarHBondContact O-OG 2.9Å
361I44.2Very low50.2Low70 Ų70109 Ų10936%0.35953%0.527SS..  trans-136102.4-176.9-48.9-176.8000110.8W356 L357 I363W356-I361 HydrophobicContact CE3-CD1 4.42Å; W356-I361 HydrophobicContact CH2-CD1 3.48Å; W356-I361 VanDerWaalsContact CH2-CD1 3.48Å; W356-I361 HydrophobicContact CH2-CG1 4.36Å; W356-I361 HydrophobicContact CZ2-CD1 4.3Å; W356-I361 HydrophobicContact CZ3-CD1 3.54Å; W356-I361 HydrophobicContact CZ3-CG1 4.41Å; L357-I361 HydrophobicContact CD2-CD1 4.19Å; L357-I361 CarbonylContact O-C 3.46Å; L357-I361 PolarHBondContact O-N 3.35Å; I361-I363 VanDerWaalsContact C-N 3.27Å; I361-I363 HydrophobicContact CB-CG1 4.25Å; I361-I363 HydrophobicContact CG2-CD1 4.11Å; I361-I363 HydrophobicContact CG2-CG1 3.51Å; I361-I363 PolarHBondContact O-N 2.79Å
362C45.3Very low49.7Very low143 Ų143107.6 Ų107.697%0.96652%0.521SS*.  trans-64.483.9166.5-78.20000110.7
363I42.2Very low49Very low73 Ų73102.7 Ų102.737%0.37450%0.495SS..  trans-85.4124168.9-53.9179.2000107.1L357 I361 W365 M366L357-I363 HydrophobicContact CD2-CD1 3.92Å; I361-I363 VanDerWaalsContact C-N 3.27Å; I361-I363 HydrophobicContact CB-CG1 4.25Å; I361-I363 HydrophobicContact CG2-CD1 4.11Å; I361-I363 HydrophobicContact CG2-CG1 3.51Å; I361-I363 PolarHBondContact O-N 2.79Å; I363-W365 PolarHBondContact O-N 3.23Å; I363-M366 HydrophobicContact CB-CG 4.48Å
364G45.8Very low48.6Very low66 Ų66105.3 Ų105.368%0.6850%0.504SS*.SBendtrans-53.7-22.4-166.800000116.2
365W41.1Very low48.1Very low229 Ų229106.1 Ų106.187%0.86751%0.508SS*.  trans-150.9126.9175.6-59.780000110.7I363I363-W365 PolarHBondContact O-N 3.23Å
366M41.7Very low47.2Very low64 Ų64102 Ų10232%0.31550%0.495SS..  trans-128.1132.3172-70.6-169-64.800110.5L357 E358 I363L357-M366 HydrophobicContact CB-SD 4.12Å; E358-M366 HydrophobicContact CG-CE 4.16Å; I363-M366 HydrophobicContact CB-CG 4.48Å
367F43.4Very low46.3Very low102 Ų102100.5 Ų100.545%0.44749%0.492SS..EExtended strand (participates in β ladder)trans-88.5109.3170.8-112.2-85.9000109.7N326 L329N326-F367 HydrophobicContact CB-CE1 4.49Å; L329-F367 HydrophobicContact CD2-CE1 4.08Å; L329-F367 HydrophobicContact CD2-CE2 3.93Å; L329-F367 HydrophobicContact CD2-CZ 3.33Å
368Y46Very low45.6Very low161 Ų161103.8 Ų103.863%0.63151%0.51SS*.EExtended strand (participates in β ladder)trans-120.7150.7-179.278.5-88.3000112.1
369K43.8Very low44.9Very low121 Ų121107.8 Ų107.853%0.52652%0.52SS..EExtended strand (participates in β ladder)trans-145.5122.8160.7-164.7179-175.2-178.60109.3S371 K372 Y374K369-S371 PolarHBondContact O-N 3.38Å; K369-K372 PolarHBondContact N-O 2.86Å; K369-K372 PolarHBondContact O-N 2.88Å; K369-Y374 HydrophobicContact CB-CE2 4.31Å
370K52.5Low43.7Very low185 Ų185108.9 Ų108.980%0.80452%0.519SS*.THydrogen-bonded Turntrans39.659.5172-69-173.3173.8-174.80113.7K372K370-K372 VanDerWaalsContact C-N 3.26Å; K370-K372 PolarHBondContact O-N 2.94Å
371S50.3Low42.9Very low61 Ų61108.9 Ų108.943%0.42751%0.513SS..THydrogen-bonded Turntrans62.719.6178.664.10000116.8K351 K369K351-S371 WeakPolarHBondContact CE-OG 3.33Å; K369-S371 PolarHBondContact O-N 3.38Å
372K46.6Very low42.4Very low115 Ų115111.3 Ų111.350%0.553%0.527SS..EExtended strand (participates in β ladder)trans-114.9135.4168.5-67.3-170.5175.9-172.10110.9E350 K369 K370 Y374E350-K372 WeakPolarHBondContact OE1-CA 2.96Å; K369-K372 PolarHBondContact N-O 2.86Å; K369-K372 PolarHBondContact O-N 2.88Å; K370-K372 VanDerWaalsContact C-N 3.26Å; K370-K372 PolarHBondContact O-N 2.94Å; K372-Y374 HydrophobicContact CB-CE2 4.09Å
373H48.8Very low42.2Very low19 Ų19109 Ų1099%0.08850%0.501CS..EExtended strand (participates in β ladder)trans-102.9113179.9-101.7-31.3000109E350 S354E350-H373 HydrophobicContact CG-CB 4.23Å; E350-H373 PolarHBondContact OE1-N 3.24Å; S354-H373 WeakPolarHBondContact CA-NE2 3.24Å; S354-H373 VanDerWaalsContact CB-CD2 3.49Å; S354-H373 WeakPolarHBondContact CB-CD2 3.48Å
374Y47.7Very low42.1Very low122 Ų122112.7 Ų112.748%0.47852%0.516SS..EExtended strand (participates in β ladder)trans-90.5-35.1177-71-82.1000112.4K369 K372K369-Y374 HydrophobicContact CB-CE2 4.31Å; K372-Y374 HydrophobicContact CB-CE2 4.09Å
375V42.9Very low41.7Very low23 Ų23116.7 Ų116.714%0.13952%0.515CS..EExtended strand (participates in β ladder)trans-146.8123.4-168.9-175.90000111.4L339L339-V375 HydrophobicContact CB-CG1 3.67Å; L339-V375 HydrophobicContact CD1-CG1 3.99Å; L339-V375 HydrophobicContact CD2-CG1 3.15Å; L339-V375 HydrophobicContact CG-CG1 3.72Å
376T41.6Very low41.7Very low52 Ų52115.8 Ų115.832%0.31952%0.517SS..EExtended strand (participates in β ladder)trans-96.8128.7161.146.70000108.6L378T376-L378 PolarHBondContact O-N 3.26Å
377F37.2Very low42Very low120 Ų120115.1 Ų115.153%0.52653%0.527SS..EExtended strand (participates in β ladder)trans-57.5114.2164.5-152.2-90.1000106.9L338 L339 R379L338-F377 HydrophobicContact CB-CZ 4.48Å; L338-F377 HydrophobicContact CD1-CZ 4.3Å; L338-F377 HydrophobicContact CD2-CE1 3.98Å; L338-F377 HydrophobicContact CD2-CZ 3.99Å; L338-F377 HydrophobicContact CG-CZ 4.5Å; L339-F377 HydrophobicContact CD2-CD2 4.13Å; F377-R379 PolarHBondContact O-N 3.44Å
378L37.8Very low42.2Very low82 Ų82113.8 Ų113.843%0.42952%0.523SS..  trans-6997.5167.2-80.8157.6000104.4L338 T376 R380L338-L378 PolarHBondContact O-N 3.5Å; L338-L378 VanDerWaalsContact O-N 3.08Å; T376-L378 PolarHBondContact O-N 3.26Å; L378-R380 PolarHBondContact O-N 2.88Å; L378-R380 VanDerWaalsContact O-N 3.1Å
379R33.8Very low42.5Very low200 Ų200112.3 Ų112.376%0.75552%0.522SS*.  trans-41.1127.2164.2-167.7179.4-167.6176.44.7105.1F377 I381F377-R379 PolarHBondContact O-N 3.44Å; R379-I381 VanDerWaalsContact C-N 3.29Å; R379-I381 WeakPolarHBondContact O-CA 3.32Å; R379-I381 PolarHBondContact O-N 3.46Å
380R32.4Very low43.1Very low212 Ų212108.9 Ų108.980%0.851%0.509SS*.  trans-39.4106.9169.7-172.6-175.8-148.3-176.67104.1L378 N382L378-R380 PolarHBondContact O-N 2.88Å; L378-R380 VanDerWaalsContact O-N 3.1Å; R380-N382 PolarHBondContact O-N 3.16Å
381I36.4Very low43.6Very low67 Ų67101.6 Ų101.634%0.34448%0.479SS..  trans-55.3119-168.4-68166.5000102.1R379 F383 M422R379-I381 VanDerWaalsContact C-N 3.29Å; R379-I381 WeakPolarHBondContact O-CA 3.32Å; R379-I381 PolarHBondContact O-N 3.46Å; I381-F383 HydrophobicContact CB-CD1 3.93Å; I381-F383 HydrophobicContact CB-CD2 3.95Å; I381-F383 HydrophobicContact CB-CE1 3.71Å; I381-F383 HydrophobicContact CB-CE2 3.74Å; I381-F383 HydrophobicContact CB-CG 4.05Å; I381-F383 HydrophobicContact CB-CZ 3.62Å; I381-F383 HydrophobicContact CD1-CE1 3.8Å; I381-F383 HydrophobicContact CD1-CZ 3.73Å; I381-F383 HydrophobicContact CG1-CE1 4.35Å; I381-F383 HydrophobicContact CG1-CZ 4.18Å; I381-F383 HydrophobicContact CG2-CD1 3.5Å; I381-F383 HydrophobicContact CG2-CD2 4.27Å; I381-F383 HydrophobicContact CG2-CE1 3.64Å; I381-F383 HydrophobicContact CG2-CE2 4.4Å; I381-F383 HydrophobicContact CG2-CG 3.84Å; I381-F383 HydrophobicContact CG2-CZ 4.11Å; I381-F383 WeakPolarHBondContact O-CD2 3.38Å; I381-F383 WeakPolarHBondContact O-CG 3.17Å; I381-F383 PolarHBondContact O-N 3.5Å; I381-M422 HydrophobicContact CD1-CE 4.22Å
382N34.1Very low44.5Very low120 Ų120103.2 Ų103.264%0.64248%0.48SS*.  trans-68.290.9174.1-146.79.2000100.8R380 Q384R380-N382 PolarHBondContact O-N 3.16Å; N382-Q384 PolarHBondContact O-N 3.21Å
383F41.1Very low45.9Very low96 Ų9699.1 Ų99.142%0.42146%0.462SS..  trans-73.847.9-173.2-72.2-76.2000108.5I381 E419 M422I381-F383 HydrophobicContact CB-CD1 3.93Å; I381-F383 HydrophobicContact CB-CD2 3.95Å; I381-F383 HydrophobicContact CB-CE1 3.71Å; I381-F383 HydrophobicContact CB-CE2 3.74Å; I381-F383 HydrophobicContact CB-CG 4.05Å; I381-F383 HydrophobicContact CB-CZ 3.62Å; I381-F383 HydrophobicContact CD1-CE1 3.8Å; I381-F383 HydrophobicContact CD1-CZ 3.73Å; I381-F383 HydrophobicContact CG1-CE1 4.35Å; I381-F383 HydrophobicContact CG1-CZ 4.18Å; I381-F383 HydrophobicContact CG2-CD1 3.5Å; I381-F383 HydrophobicContact CG2-CD2 4.27Å; I381-F383 HydrophobicContact CG2-CE1 3.64Å; I381-F383 HydrophobicContact CG2-CE2 4.4Å; I381-F383 HydrophobicContact CG2-CG 3.84Å; I381-F383 HydrophobicContact CG2-CZ 4.11Å; I381-F383 WeakPolarHBondContact O-CD2 3.38Å; I381-F383 WeakPolarHBondContact O-CG 3.17Å; I381-F383 PolarHBondContact O-N 3.5Å; F383-E419 HydrophobicContact CD1-CG 4.27Å; F383-E419 WeakPolarHBondContact CD1-OE1 3.48Å; F383-E419 HydrophobicContact CE1-CG 3.77Å; F383-E419 HydrophobicContact CZ-CG 4.42Å; F383-M422 HydrophobicContact CZ-CE 4.36Å
384Q39Very low46.9Very low150 Ų15099.1 Ų99.170%0.70146%0.461SS*.  trans-85.126.8149.5-63.6-168-9.800109.9N382 K386N382-Q384 PolarHBondContact O-N 3.21Å; Q384-K386 PolarHBondContact O-N 2.88Å
385K36.9Very low47.9Very low150 Ų15097.4 Ų97.465%0.65246%0.458SS*.  trans-63.793.7153.9-109-170.1178.2-177.20105.1G387 I388K385-G387 PolarHBondContact O-N 2.8Å; K385-I388 HydrophobicContact CD-CD1 4.26Å
386K42.2Very low49.5Very low210 Ų210101.5 Ų101.591%0.91347%0.474SS*.THydrogen-bonded Turntrans-6142.3176.4-74-176170.2-179.90112.6Q384Q384-K386 PolarHBondContact O-N 2.88Å
387G47.1Very low50.9Low50 Ų5099.3 Ų99.352%0.51546%0.46SS..THydrogen-bonded Turntrans-160.9-4-173.300000117.1K385K385-G387 PolarHBondContact O-N 2.8Å
388I48.9Very low52.4Low73 Ų7395.7 Ų95.737%0.37444%0.443SS..  trans-98.397.2173-56.4173.4000107.3K385 E419K385-I388 HydrophobicContact CD-CD1 4.26Å; I388-E419 WeakPolarHBondContact CB-OE1 3.5Å; I388-E419 HydrophobicContact CD1-CG 3.91Å; I388-E419 VanDerWaalsContact CD1-OE1 3.31Å; I388-E419 WeakPolarHBondContact CD1-OE1 3.31Å; I388-E419 HydrophobicContact CG2-CG 4.03Å
389Q52.3Low53.7Low131 Ų131100.4 Ų100.461%0.61246%0.456SS*.  trans-84.3115.7-170.3-74.1150.2-15.100111E884Q389-E884 PolarHBondContact NE2-OE1 2.88Å; Q389-E884 PolarHBondContact NE2-OE2 3.49Å; Q389-E884 PolarHBondContact OE1-OE2 3.4Å; Q389-E884 VanDerWaalsContact OE1-OE2 3.05Å
390L55.4Low55.6Low48 Ų4894 Ų9425%0.25144%0.443SS..  trans-91.4137.3170.9-69.5154.9000108.8R394L390-R394 HydrophobicContact CD2-CG 4.15Å
391D64Low57.7Low33 Ų3387.6 Ų87.618%0.17642%0.423CS..  trans-60.4145.8166.8-178.919.2000110.2F393 R394 Q395D391-F393 VanDerWaalsContact C-N 3.26Å; D391-F393 PolarHBondContact O-N 3.16Å; D391-R394 HydrophobicContact CB-CB 4.4Å; D391-R394 WeakPolarHBondContact O-CB 3.46Å; D391-R394 PolarHBondContact O-N 2.97Å; D391-Q395 PolarHBondContact O-N 3.5Å
392E69.5Low59.3Low94 Ų9487.3 Ų87.344%0.43943%0.426SS..Hα-helixtrans-57.6-40.4-177.5-74.5-175.3-179.100111.8R394 Q395 F396 H911E392-R394 VanDerWaalsContact C-N 3.28Å; E392-R394 PolarHBondContact O-N 2.85Å; E392-Q395 PolarHBondContact O-N 3.09Å; E392-F396 WeakPolarHBondContact O-CB 3.42Å; E392-F396 PolarHBondContact O-N 2.98Å; E392-H911 IonicContact OE1-CE1 3.33Å
393F74.4Confident61.1Low29 Ų2985.9 Ų85.913%0.12742%0.422CS..Hα-helixtrans-62.3-39.8177.7178.9-115.2000111.5D391 F396 L397 K1055D391-F393 VanDerWaalsContact C-N 3.26Å; D391-F393 PolarHBondContact O-N 3.16Å; F393-F396 WeakPolarHBondContact O-CB 3.47Å; F393-F396 PolarHBondContact O-N 2.91Å; F393-L397 HydrophobicContact CD1-CD1 4.22Å; F393-L397 HydrophobicContact CE1-CD1 3.69Å; F393-L397 HydrophobicContact CE1-CG 4.29Å; F393-L397 HydrophobicContact CE2-CG 4.44Å; F393-L397 HydrophobicContact CZ-CD1 3.94Å; F393-L397 HydrophobicContact CZ-CD2 4.34Å; F393-L397 HydrophobicContact CZ-CG 4.18Å; F393-L397 WeakPolarHBondContact O-CG 3.3Å; F393-L397 PolarHBondContact O-N 3.23Å; F393-K1055 HydrophobicContact CB-CD 4.43Å; F393-K1055 HydrophobicContact CD1-CB 4.23Å; F393-K1055 HydrophobicContact CD2-CD 4.16Å; F393-K1055 HydrophobicContact CG-CB 4.21Å; F393-K1055 HydrophobicContact CG-CD 4.35Å
394R70.3Confident62.8Low19 Ų1985 Ų857%0.07242%0.417CS..Hα-helixtrans-73.1-37.4177.4-171.6172.9-171.9171.84.9112.3L390 D391 E392 F396 L397 R398 E405 E417 F1059L390-R394 HydrophobicContact CD2-CG 4.15Å; D391-R394 HydrophobicContact CB-CB 4.4Å; D391-R394 WeakPolarHBondContact O-CB 3.46Å; D391-R394 PolarHBondContact O-N 2.97Å; E392-R394 VanDerWaalsContact C-N 3.28Å; E392-R394 PolarHBondContact O-N 2.85Å; R394-F396 VanDerWaalsContact C-N 3.3Å; R394-L397 PolarHBondContact O-N 3.49Å; R394-R398 WeakPolarHBondContact O-CB 3.23Å; R394-R398 PolarHBondContact O-N 3.03Å; R394-E405 WeakPolarHBondContact CG-OE1 3.32Å; R394-E405 IonicContact CZ-OE1 3.74Å; R394-E405 IonicContact NE-OE1 2.77Å; R394-E405 PolarHBondContact NE-OE1 3.49Å; R394-E405 IonicContact NH2-OE1 3.65Å; R394-E417 IonicContact CZ-OE2 2.86Å; R394-E417 IonicContact NH1-OE1 3.1Å; R394-E417 PolarHBondContact NH1-OE1 2.95Å; R394-E417 IonicContact NH1-OE2 3.1Å; R394-E417 PolarHBondContact NH1-OE2 3.49Å; R394-E417 IonicContact NH2-OE2 3.08Å; R394-E417 PolarHBondContact NH2-OE2 3.13Å; R394-F1059 HydrophobicContact CG-CD2 4.48Å; R394-F1059 HydrophobicContact CG-CE2 4.15Å
395Q69.2Low64.5Low87 Ų8777.8 Ų77.841%0.40738%0.384SS..Hα-helixtrans-59.3-45.7172.2-168.8176.4-300110D391 E392 R398 Y399D391-Q395 PolarHBondContact O-N 3.5Å; E392-Q395 PolarHBondContact O-N 3.09Å; Q395-R398 PolarHBondContact O-N 3.02Å; Q395-Y399 HydrophobicContact CG-CD2 3.68Å; Q395-Y399 HydrophobicContact CG-CE2 3.5Å; Q395-Y399 VanDerWaalsContact CG-CE2 3.5Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.23Å; Q395-Y399 PolarHBondContact O-N 2.93Å
396F75.8Confident66.2Low109 Ų10972.4 Ų72.448%0.47836%0.362SS..Hα-helixtrans-57.4-49.1172.1167.6-96.5000112.1E392 F393 R394 R398 Y399 S400E392-F396 WeakPolarHBondContact O-CB 3.42Å; E392-F396 PolarHBondContact O-N 2.98Å; F393-F396 WeakPolarHBondContact O-CB 3.47Å; F393-F396 PolarHBondContact O-N 2.91Å; R394-F396 VanDerWaalsContact C-N 3.3Å; F396-R398 VanDerWaalsContact C-N 3.3Å; F396-R398 PolarHBondContact O-N 2.87Å; F396-Y399 PolarHBondContact O-N 3.45Å; F396-S400 VanDerWaalsContact CD2-OG 3.31Å; F396-S400 WeakPolarHBondContact CD2-OG 3.14Å; F396-S400 WeakPolarHBondContact CE2-OG 3.07Å; F396-S400 WeakPolarHBondContact O-CB 3.45Å; F396-S400 PolarHBondContact O-N 3.47Å; F396-S400 PolarHBondContact O-OG 3.17Å
397L71.6Confident67.9Low5 Ų564.4 Ų64.43%0.02633%0.328CS..Hα-helixtrans-59.5-42.7177.6-72.6-178.4000111.7F393 R394 Y399 I401 P402 F404 E405 I408 F1059F393-L397 HydrophobicContact CD1-CD1 4.22Å; F393-L397 HydrophobicContact CE1-CD1 3.69Å; F393-L397 HydrophobicContact CE1-CG 4.29Å; F393-L397 HydrophobicContact CE2-CG 4.44Å; F393-L397 HydrophobicContact CZ-CD1 3.94Å; F393-L397 HydrophobicContact CZ-CD2 4.34Å; F393-L397 HydrophobicContact CZ-CG 4.18Å; F393-L397 WeakPolarHBondContact O-CG 3.3Å; F393-L397 PolarHBondContact O-N 3.23Å; R394-L397 PolarHBondContact O-N 3.49Å; L397-Y399 PolarHBondContact O-N 2.88Å; L397-I401 CarbonylContact O-C 3.58Å; L397-I401 WeakPolarHBondContact O-CA 3.47Å; L397-I401 PolarHBondContact O-N 3.27Å; L397-I401 VanDerWaalsContact O-O 3.09Å; L397-P402 VanDerWaalsContact O-N 3.1Å; L397-F404 HydrophobicContact CD2-CD1 3.79Å; L397-F404 HydrophobicContact CD2-CE1 4.31Å; L397-E405 HydrophobicContact CB-CB 4.06Å; L397-E405 HydrophobicContact CB-CG 4.28Å; L397-I408 HydrophobicContact CD1-CD1 3.66Å; L397-F1059 HydrophobicContact CD1-CE2 4.41Å
398R69.2Low69.3Low44 Ų4462.1 Ų62.117%0.16630%0.304CS..Hα-helixtrans-65.3-38.1-179.4-172.8164.1-73.8-172.2-2.7113.1R394 Q395 F396 P402 E405 E419R394-R398 WeakPolarHBondContact O-CB 3.23Å; R394-R398 PolarHBondContact O-N 3.03Å; Q395-R398 PolarHBondContact O-N 3.02Å; F396-R398 VanDerWaalsContact C-N 3.3Å; F396-R398 PolarHBondContact O-N 2.87Å; R398-P402 WeakPolarHBondContact O-CB 3.46Å; R398-E405 WeakPolarHBondContact CB-OE2 3.28Å; R398-E405 IonicContact CZ-OE1 3.6Å; R398-E405 IonicContact CZ-OE2 3.15Å; R398-E405 IonicContact NE-OE1 4Å; R398-E405 IonicContact NE-OE2 3.78Å; R398-E405 PolarHBondContact NE-OE2 3.4Å; R398-E405 VanDerWaalsContact NE-OE2 3.08Å; R398-E405 IonicContact NH2-OE1 2.67Å; R398-E405 PolarHBondContact NH2-OE1 3.2Å; R398-E405 VanDerWaalsContact NH2-OE1 3.12Å; R398-E405 IonicContact NH2-OE2 2.69Å; R398-E419 IonicContact NH1-OE2 3.41Å
399Y64.4Low70.4Confident181 Ų18158.9 Ų58.971%0.7129%0.287SS*.Hα-helixtrans-83.3-40.1179.6-76.5-65.8000113Q395 F396 L397Q395-Y399 HydrophobicContact CG-CD2 3.68Å; Q395-Y399 HydrophobicContact CG-CE2 3.5Å; Q395-Y399 VanDerWaalsContact CG-CE2 3.5Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.23Å; Q395-Y399 PolarHBondContact O-N 2.93Å; F396-Y399 PolarHBondContact O-N 3.45Å; L397-Y399 PolarHBondContact O-N 2.88Å
400S73.6Confident70.9Confident67 Ų6753.2 Ų53.247%0.46926%0.263SS..Hα-helixtrans-89.9-42.4-173.5-560000112.8F396F396-S400 VanDerWaalsContact CD2-OG 3.31Å; F396-S400 WeakPolarHBondContact CD2-OG 3.14Å; F396-S400 WeakPolarHBondContact CE2-OG 3.07Å; F396-S400 WeakPolarHBondContact O-CB 3.45Å; F396-S400 PolarHBondContact O-N 3.47Å; F396-S400 PolarHBondContact O-OG 3.17Å
401I77.1Confident70.9Confident77 Ų7753.4 Ų53.440%0.39526%0.264SS..  trans-144.663.9-172.1-38.6177.6000111.1L397 T403 F404 E405L397-I401 CarbonylContact O-C 3.58Å; L397-I401 WeakPolarHBondContact O-CA 3.47Å; L397-I401 PolarHBondContact O-N 3.27Å; L397-I401 VanDerWaalsContact O-O 3.09Å; I401-T403 PolarHBondContact O-N 3.41Å; I401-F404 HydrophobicContact CB-CB 4Å; I401-F404 HydrophobicContact CG2-CB 3.41Å; I401-F404 VanDerWaalsContact CG2-CB 3.41Å; I401-F404 WeakPolarHBondContact O-CB 3.48Å; I401-F404 PolarHBondContact O-N 2.98Å; I401-E405 PolarHBondContact O-N 3.31Å
402P70.3Confident70.2Confident60 Ų6054.9 Ų54.939%0.3929%0.287SS..Hα-helixtrans-62-29.1-174.422.5-33.1000113.2L397 R398 F404 E405 M406 Y424L397-P402 VanDerWaalsContact O-N 3.1Å; R398-P402 WeakPolarHBondContact O-CB 3.46Å; P402-F404 VanDerWaalsContact C-N 3.31Å; P402-F404 PolarHBondContact O-N 2.96Å; P402-E405 PolarHBondContact O-N 2.95Å; P402-M406 WeakPolarHBondContact O-CB 3.37Å; P402-M406 PolarHBondContact O-N 3.4Å; P402-Y424 PolarHBondContact O-OH 3.41Å
403T70Confident69.3Low91 Ų9150.8 Ų50.856%0.55827%0.269SS*.Hα-helixtrans-63.8-36.8173.650.80000111.9I401 M406 I407I401-T403 PolarHBondContact O-N 3.41Å; T403-M406 WeakPolarHBondContact O-CB 3.49Å; T403-M406 PolarHBondContact O-N 3.17Å; T403-I407 WeakPolarHBondContact O-CD1 3.42Å; T403-I407 VanDerWaalsContact O-CG1 3.24Å; T403-I407 WeakPolarHBondContact O-CG1 3.47Å; T403-I407 PolarHBondContact O-N 3.41Å
404F77.6Confident67.9Low76 Ų7654.8 Ų54.833%0.33329%0.291SS..Hα-helixtrans-71.3-42.3175.8-174.2-101.9000111.2L397 I401 P402 M406 I407 I408L397-F404 HydrophobicContact CD2-CD1 3.79Å; L397-F404 HydrophobicContact CD2-CE1 4.31Å; I401-F404 HydrophobicContact CB-CB 4Å; I401-F404 HydrophobicContact CG2-CB 3.41Å; I401-F404 VanDerWaalsContact CG2-CB 3.41Å; I401-F404 WeakPolarHBondContact O-CB 3.48Å; I401-F404 PolarHBondContact O-N 2.98Å; P402-F404 VanDerWaalsContact C-N 3.31Å; P402-F404 PolarHBondContact O-N 2.96Å; F404-M406 VanDerWaalsContact C-N 3.27Å; F404-M406 PolarHBondContact O-N 3.12Å; F404-I407 PolarHBondContact O-N 2.81Å; F404-I408 HydrophobicContact CD1-CD1 4.19Å; F404-I408 HydrophobicContact CD1-CG2 4.33Å; F404-I408 HydrophobicContact CE1-CD1 3.91Å; F404-I408 HydrophobicContact CE1-CG1 4.5Å; F404-I408 HydrophobicContact CE1-CG2 3.89Å; F404-I408 HydrophobicContact CE2-CG2 4.06Å; F404-I408 HydrophobicContact CZ-CG2 3.74Å; F404-I408 WeakPolarHBondContact O-CG1 3.31Å; F404-I408 PolarHBondContact O-N 3.24Å
405E75Confident66.8Low0 Ų062.8 Ų62.80%033%0.327CS..Hα-helixtrans-55-46.7172.1-163.2-162.5168.500110.5R394 L397 R398 I401 P402 I407 I408 Y409 Y424 F1059R394-E405 WeakPolarHBondContact CG-OE1 3.32Å; R394-E405 IonicContact CZ-OE1 3.74Å; R394-E405 IonicContact NE-OE1 2.77Å; R394-E405 PolarHBondContact NE-OE1 3.49Å; R394-E405 IonicContact NH2-OE1 3.65Å; L397-E405 HydrophobicContact CB-CB 4.06Å; L397-E405 HydrophobicContact CB-CG 4.28Å; R398-E405 WeakPolarHBondContact CB-OE2 3.28Å; R398-E405 IonicContact CZ-OE1 3.6Å; R398-E405 IonicContact CZ-OE2 3.15Å; R398-E405 IonicContact NE-OE1 4Å; R398-E405 IonicContact NE-OE2 3.78Å; R398-E405 PolarHBondContact NE-OE2 3.4Å; R398-E405 VanDerWaalsContact NE-OE2 3.08Å; R398-E405 IonicContact NH2-OE1 2.67Å; R398-E405 PolarHBondContact NH2-OE1 3.2Å; R398-E405 VanDerWaalsContact NH2-OE1 3.12Å; R398-E405 IonicContact NH2-OE2 2.69Å; I401-E405 PolarHBondContact O-N 3.31Å; P402-E405 PolarHBondContact O-N 2.95Å; E405-I407 VanDerWaalsContact C-N 3.28Å; E405-I407 PolarHBondContact O-N 2.82Å; E405-I408 PolarHBondContact O-N 3.28Å; E405-Y409 WeakPolarHBondContact O-CB 3.48Å; E405-Y409 PolarHBondContact O-N 3.5Å; E405-Y424 HydrophobicContact CB-CE2 4.34Å; E405-Y424 VanDerWaalsContact CD-CE2 3.43Å; E405-Y424 HydrophobicContact CG-CE2 3.95Å; E405-Y424 WeakPolarHBondContact OE2-CE2 3.29Å; E405-Y424 PolarHBondContact OE2-OH 2.9Å; E405-F1059 HydrophobicContact CG-CE2 4.22Å; E405-F1059 HydrophobicContact CG-CZ 4.37Å
406M72.8Confident66Low37 Ų3762.7 Ų62.718%0.18233%0.326CS..Hα-helixtrans-57.3-41.7176.2-176.4-97-80.800111.7P402 T403 F404 Y424 A429 S432 R433P402-M406 WeakPolarHBondContact O-CB 3.37Å; P402-M406 PolarHBondContact O-N 3.4Å; T403-M406 WeakPolarHBondContact O-CB 3.49Å; T403-M406 PolarHBondContact O-N 3.17Å; F404-M406 VanDerWaalsContact C-N 3.27Å; F404-M406 PolarHBondContact O-N 3.12Å; M406-Y424 HydrophobicContact CB-CD1 3.46Å; M406-Y424 VanDerWaalsContact CB-CD1 3.46Å; M406-Y424 HydrophobicContact CB-CE1 3.5Å; M406-Y424 VanDerWaalsContact CB-CE1 3.5Å; M406-Y424 HydrophobicContact CB-CG 4.24Å; M406-Y424 HydrophobicContact CG-CD1 3.47Å; M406-Y424 VanDerWaalsContact CG-CD1 3.47Å; M406-Y424 HydrophobicContact CG-CE1 4.02Å; M406-Y424 HydrophobicContact CG-CG 4.2Å; M406-A429 HydrophobicContact CG-CB 3.93Å; M406-A429 HydrophobicContact SD-CB 4.07Å; M406-S432 WeakPolarHBondContact CE-OG 3.45Å; M406-S432 PolarHBondContact SD-OG 3.06Å; M406-R433 WeakPolarHBondContact O-CD 3.19Å; M406-R433 WeakPolarHBondContact O-CG 3.44Å; M406-R433 PolarHBondContact O-NE 3.09Å; M406-R433 HydrophobicContact SD-CG 4.12Å
407I76.7Confident65.1Low41 Ų4159 Ų5921%0.2131%0.31CS..Hα-helixtrans-66.4-49.7179.2-69.4162.6000111T403 F404 E405 Y409 R433 C436 F437T403-I407 WeakPolarHBondContact O-CD1 3.42Å; T403-I407 VanDerWaalsContact O-CG1 3.24Å; T403-I407 WeakPolarHBondContact O-CG1 3.47Å; T403-I407 PolarHBondContact O-N 3.41Å; F404-I407 PolarHBondContact O-N 2.81Å; E405-I407 VanDerWaalsContact C-N 3.28Å; E405-I407 PolarHBondContact O-N 2.82Å; I407-Y409 VanDerWaalsContact C-N 3.29Å; I407-Y409 PolarHBondContact O-N 2.97Å; I407-R433 WeakPolarHBondContact O-CG 3.39Å; I407-C436 HydrophobicContact CD1-CB 4.18Å; I407-C436 HydrophobicContact CG1-CB 4.03Å; I407-C436 HydrophobicContact CG2-CB 3.72Å; I407-F437 HydrophobicContact CG2-CE2 4.32Å; I407-F437 WeakPolarHBondContact O-CE2 3.24Å
408I76.7Confident64.3Low2 Ų264 Ų641%0.0134%0.336CS..Hα-helixtrans-79.7-9.6-173.965167.7000113.8L397 F404 E405 A410 L512 F1059L397-I408 HydrophobicContact CD1-CD1 3.66Å; F404-I408 HydrophobicContact CD1-CD1 4.19Å; F404-I408 HydrophobicContact CD1-CG2 4.33Å; F404-I408 HydrophobicContact CE1-CD1 3.91Å; F404-I408 HydrophobicContact CE1-CG1 4.5Å; F404-I408 HydrophobicContact CE1-CG2 3.89Å; F404-I408 HydrophobicContact CE2-CG2 4.06Å; F404-I408 HydrophobicContact CZ-CG2 3.74Å; F404-I408 WeakPolarHBondContact O-CG1 3.31Å; F404-I408 PolarHBondContact O-N 3.24Å; E405-I408 PolarHBondContact O-N 3.28Å; I408-A410 PolarHBondContact O-N 2.91Å; I408-L512 HydrophobicContact CB-CD1 4.44Å; I408-L512 HydrophobicContact CG2-CD1 3.95Å; I408-F1059 HydrophobicContact CB-CE1 4.15Å; I408-F1059 HydrophobicContact CD1-CD1 3.88Å; I408-F1059 HydrophobicContact CD1-CD2 4.48Å; I408-F1059 HydrophobicContact CD1-CE1 3.52Å; I408-F1059 HydrophobicContact CD1-CE2 4.14Å; I408-F1059 HydrophobicContact CD1-CG 4.36Å; I408-F1059 HydrophobicContact CD1-CZ 3.66Å; I408-F1059 HydrophobicContact CG1-CD1 4.33Å; I408-F1059 HydrophobicContact CG1-CE1 3.51Å; I408-F1059 HydrophobicContact CG1-CE2 4.48Å; I408-F1059 HydrophobicContact CG1-CZ 3.59Å; I408-F1059 WeakPolarHBondContact O-CE1 3.39Å
409Y72.7Confident63.6Low5 Ų562.7 Ų62.72%0.0233%0.331CS..  trans-56.1129.3-175.2-170.3-116.2000113.2E405 I407 A420 N421 Y424E405-Y409 WeakPolarHBondContact O-CB 3.48Å; E405-Y409 PolarHBondContact O-N 3.5Å; I407-Y409 VanDerWaalsContact C-N 3.29Å; I407-Y409 PolarHBondContact O-N 2.97Å; Y409-A420 HydrophobicContact CD2-CB 4.36Å; Y409-A420 HydrophobicContact CE1-CB 4.5Å; Y409-A420 HydrophobicContact CE2-CB 3.6Å; Y409-A420 WeakPolarHBondContact OH-CB 3.27Å; Y409-N421 WeakPolarHBondContact CE1-OD1 3.35Å; Y409-N421 VanDerWaalsContact OH-CG 3.28Å; Y409-N421 PolarHBondContact OH-N 2.67Å; Y409-N421 PolarHBondContact OH-OD1 3.4Å; Y409-Y424 HydrophobicContact CD2-CD2 4.46Å; Y409-Y424 HydrophobicContact CG-CD2 4.22Å
410A63.2Low63.4Low13 Ų1354.2 Ų54.211%0.10730%0.299CS..  trans-100.2117.6179.100000110.8I408 G412 C505 F1060I408-A410 PolarHBondContact O-N 2.91Å; A410-G412 PolarHBondContact O-N 2.98Å; A410-C505 WeakPolarHBondContact CB-SG 3.28Å; A410-F1060 HydrophobicContact CB-CD1 4.14Å; A410-F1060 HydrophobicContact CB-CE1 4.38Å
411D54.5Low62.6Low51 Ų5152.7 Ų52.727%0.27329%0.286SS..THydrogen-bonded Turntrans-66.826.1178.8-60.4-31.4000113.8R433D411-R433 VanDerWaalsContact CG-NH1 3.29Å; D411-R433 IonicContact OD1-CZ 3.87Å; D411-R433 IonicContact OD1-NH1 3.73Å; D411-R433 PolarHBondContact OD1-NH1 3.08Å; D411-R433 IonicContact OD1-NH2 3.12Å; D411-R433 IonicContact OD2-NH1 2.64Å; D411-R433 PolarHBondContact OD2-NH1 3.16Å; D411-R433 VanDerWaalsContact OD2-NH1 3.09Å
412G50.7Low61.5Low64 Ų6453.9 Ų53.966%0.6629%0.291SS*.THydrogen-bonded Turntrans-98.3-1-177.200000114.8A410A410-G412 PolarHBondContact O-N 2.98Å
413N50Low61Low9 Ų955 Ų555%0.04829%0.293CS..  trans-115.934-173-143.810.4000114.2K415 E416 E417 N421 P1062N413-K415 PolarHBondContact O-N 2.95Å; N413-E416 PolarHBondContact O-N 2.88Å; N413-E417 HydrophobicContact CB-CB 4.36Å; N413-E417 HydrophobicContact CB-CG 4.27Å; N413-E417 WeakPolarHBondContact ND2-CG 3.36Å; N413-E417 PolarHBondContact ND2-OE1 3.43Å; N413-E417 PolarHBondContact O-N 2.76Å; N413-E417 VanDerWaalsContact O-N 3.1Å; N413-N421 PolarHBondContact O-ND2 3.46Å; N413-P1062 WeakPolarHBondContact ND2-CG 3.26Å
414D44.8Very low60.6Low112 Ų11251.4 Ų51.460%0.59927%0.269SS*.THydrogen-bonded Turntrans-45.2-37.7-178-52.5-5.8000113.7N421D414-N421 VanDerWaalsContact CA-ND2 3.31Å; D414-N421 WeakPolarHBondContact CA-ND2 3.35Å
415K46.8Very low59.7Low188 Ų18849.9 Ų49.982%0.81728%0.275SS*.THydrogen-bonded Turntrans-89.1-27.1-172.7-69.6-172.6177.9-178.40115.1N413N413-K415 PolarHBondContact O-N 2.95Å
416E52.1Low59Low85 Ų8551.7 Ų51.740%0.39729%0.293SS..THydrogen-bonded Turntrans-105-26.6-175.9-70.6-177.1-155.100113.1N413 K1063 K1066N413-E416 PolarHBondContact O-N 2.88Å; E416-K1063 WeakPolarHBondContact OE1-CE 3.48Å; E416-K1066 IonicContact OE2-NZ 3.53Å; E416-K1066 PolarHBondContact OE2-NZ 3.34Å
417E58.2Low58.5Low32 Ų3258.7 Ų58.715%0.1532%0.319CS..  trans-115.457.9-170.8-69.5179.1-167.800113.3R394 N413 E419 A420 N421R394-E417 IonicContact CZ-OE2 2.86Å; R394-E417 IonicContact NH1-OE1 3.1Å; R394-E417 PolarHBondContact NH1-OE1 2.95Å; R394-E417 IonicContact NH1-OE2 3.1Å; R394-E417 PolarHBondContact NH1-OE2 3.49Å; R394-E417 IonicContact NH2-OE2 3.08Å; R394-E417 PolarHBondContact NH2-OE2 3.13Å; N413-E417 HydrophobicContact CB-CB 4.36Å; N413-E417 HydrophobicContact CB-CG 4.27Å; N413-E417 WeakPolarHBondContact ND2-CG 3.36Å; N413-E417 PolarHBondContact ND2-OE1 3.43Å; N413-E417 PolarHBondContact O-N 2.76Å; N413-E417 VanDerWaalsContact O-N 3.1Å; E417-E419 PolarHBondContact O-N 2.97Å; E417-E419 VanDerWaalsContact O-N 3.11Å; E417-A420 HydrophobicContact CB-CB 4.49Å; E417-A420 PolarHBondContact O-N 3.43Å; E417-N421 PolarHBondContact O-N 2.94Å; E417-N421 VanDerWaalsContact O-N 3.12Å; E417-N421 PolarHBondContact O-ND2 3.24Å
418I54.3Low58Low108 Ų10863.3 Ų63.355%0.55434%0.343SS*.Hα-helixtrans-52.6-37.3-179.8-52.4173.8000110.9M422I418-M422 HydrophobicContact CG2-CE 3.99Å; I418-M422 HydrophobicContact CG2-CG 4.29Å; I418-M422 HydrophobicContact CG2-SD 4.14Å; I418-M422 WeakPolarHBondContact O-CB 3.29Å; I418-M422 WeakPolarHBondContact O-CG 3.42Å; I418-M422 PolarHBondContact O-N 2.95Å
419E54.4Low57.6Low17 Ų1763.9 Ų63.98%0.07935%0.348CS..Hα-helixtrans-62-52178.9-72.6-172176.300114.1F383 I388 R398 E417 N421 M422 I423F383-E419 HydrophobicContact CD1-CG 4.27Å; F383-E419 WeakPolarHBondContact CD1-OE1 3.48Å; F383-E419 HydrophobicContact CE1-CG 3.77Å; F383-E419 HydrophobicContact CZ-CG 4.42Å; I388-E419 WeakPolarHBondContact CB-OE1 3.5Å; I388-E419 HydrophobicContact CD1-CG 3.91Å; I388-E419 VanDerWaalsContact CD1-OE1 3.31Å; I388-E419 WeakPolarHBondContact CD1-OE1 3.31Å; I388-E419 HydrophobicContact CG2-CG 4.03Å; R398-E419 IonicContact NH1-OE2 3.41Å; E417-E419 PolarHBondContact O-N 2.97Å; E417-E419 VanDerWaalsContact O-N 3.11Å; E419-N421 VanDerWaalsContact C-N 3.34Å; E419-M422 PolarHBondContact O-N 3.24Å; E419-I423 VanDerWaalsContact O-CG1 3.28Å; E419-I423 WeakPolarHBondContact O-CG1 3.48Å; E419-I423 PolarHBondContact O-N 3.23Å
420A59.3Low57.6Low3 Ų370.2 Ų70.23%0.02537%0.372CS..Hα-helixtrans-72.3-33.2-176.500000111.7Y409 E417 M422 I423 Y424Y409-A420 HydrophobicContact CD2-CB 4.36Å; Y409-A420 HydrophobicContact CE1-CB 4.5Å; Y409-A420 HydrophobicContact CE2-CB 3.6Å; Y409-A420 WeakPolarHBondContact OH-CB 3.27Å; E417-A420 HydrophobicContact CB-CB 4.49Å; E417-A420 PolarHBondContact O-N 3.43Å; A420-M422 VanDerWaalsContact C-N 3.34Å; A420-I423 PolarHBondContact O-N 3.45Å; A420-Y424 HydrophobicContact CB-CD2 4.38Å; A420-Y424 WeakPolarHBondContact O-CB 3.32Å; A420-Y424 PolarHBondContact O-N 2.84Å
421N57.7Low58.2Low36 Ų3673.2 Ų73.219%0.19339%0.385CS..Hα-helixtrans-64.4-38.6170.1-72.9-41.8000111.8Y409 N413 D414 E417 E419 G425Y409-N421 WeakPolarHBondContact CE1-OD1 3.35Å; Y409-N421 VanDerWaalsContact OH-CG 3.28Å; Y409-N421 PolarHBondContact OH-N 2.67Å; Y409-N421 PolarHBondContact OH-OD1 3.4Å; N413-N421 PolarHBondContact O-ND2 3.46Å; D414-N421 VanDerWaalsContact CA-ND2 3.31Å; D414-N421 WeakPolarHBondContact CA-ND2 3.35Å; E417-N421 PolarHBondContact O-N 2.94Å; E417-N421 VanDerWaalsContact O-N 3.12Å; E417-N421 PolarHBondContact O-ND2 3.24Å; E419-N421 VanDerWaalsContact C-N 3.34Å; N421-G425 WeakPolarHBondContact O-CA 3.32Å; N421-G425 PolarHBondContact O-N 3.21Å
422M54.8Low59.3Low101 Ų10172.1 Ų72.150%0.49838%0.382SS..Hα-helixtrans-67-36.9174.8-77.6-171.6-54.900112.4I381 F383 I418 E419 A420I381-M422 HydrophobicContact CD1-CE 4.22Å; F383-M422 HydrophobicContact CZ-CE 4.36Å; I418-M422 HydrophobicContact CG2-CE 3.99Å; I418-M422 HydrophobicContact CG2-CG 4.29Å; I418-M422 HydrophobicContact CG2-SD 4.14Å; I418-M422 WeakPolarHBondContact O-CB 3.29Å; I418-M422 WeakPolarHBondContact O-CG 3.42Å; I418-M422 PolarHBondContact O-N 2.95Å; E419-M422 PolarHBondContact O-N 3.24Å; A420-M422 VanDerWaalsContact C-N 3.34Å
423I58.2Low60.7Low84 Ų8469.6 Ų69.643%0.43135%0.352SS..Hα-helixtrans-78.6-46.7-179.1-63.5166.1000111.4E419 A420E419-I423 VanDerWaalsContact O-CG1 3.28Å; E419-I423 WeakPolarHBondContact O-CG1 3.48Å; E419-I423 PolarHBondContact O-N 3.23Å; A420-I423 PolarHBondContact O-N 3.45Å
424Y62.1Low62.2Low16 Ų1671.5 Ų71.56%0.06336%0.361CS..Hα-helixtrans-107-12.9-170.2-57-51.9000114.1P402 E405 M406 Y409 A420 G426 A429 R433P402-Y424 PolarHBondContact O-OH 3.41Å; E405-Y424 HydrophobicContact CB-CE2 4.34Å; E405-Y424 VanDerWaalsContact CD-CE2 3.43Å; E405-Y424 HydrophobicContact CG-CE2 3.95Å; E405-Y424 WeakPolarHBondContact OE2-CE2 3.29Å; E405-Y424 PolarHBondContact OE2-OH 2.9Å; M406-Y424 HydrophobicContact CB-CD1 3.46Å; M406-Y424 VanDerWaalsContact CB-CD1 3.46Å; M406-Y424 HydrophobicContact CB-CE1 3.5Å; M406-Y424 VanDerWaalsContact CB-CE1 3.5Å; M406-Y424 HydrophobicContact CB-CG 4.24Å; M406-Y424 HydrophobicContact CG-CD1 3.47Å; M406-Y424 VanDerWaalsContact CG-CD1 3.47Å; M406-Y424 HydrophobicContact CG-CE1 4.02Å; M406-Y424 HydrophobicContact CG-CG 4.2Å; Y409-Y424 HydrophobicContact CD2-CD2 4.46Å; Y409-Y424 HydrophobicContact CG-CD2 4.22Å; A420-Y424 HydrophobicContact CB-CD2 4.38Å; A420-Y424 WeakPolarHBondContact O-CB 3.32Å; A420-Y424 PolarHBondContact O-N 2.84Å; Y424-G426 PolarHBondContact O-N 3.43Å; Y424-G426 VanDerWaalsContact O-N 3.12Å; Y424-A429 WeakPolarHBondContact O-CB 3.44Å; Y424-R433 PolarHBondContact O-NH2 3.2Å
425G58.3Low64Low44 Ų4470.3 Ų70.345%0.45435%0.354SS..  trans-71.8-0.3-177.500000115.6N421N421-G425 WeakPolarHBondContact O-CA 3.32Å; N421-G425 PolarHBondContact O-N 3.21Å
426G60Low65.9Low38 Ų3863.4 Ų63.439%0.39233%0.329SS..SBendtrans-64.6152.4177.300000113.4Y424 I428 A429 R430Y424-G426 PolarHBondContact O-N 3.43Å; Y424-G426 VanDerWaalsContact O-N 3.12Å; G426-I428 VanDerWaalsContact C-N 3.29Å; G426-I428 PolarHBondContact O-N 2.96Å; G426-A429 PolarHBondContact O-N 2.92Å; G426-A429 VanDerWaalsContact O-N 3.16Å; G426-R430 PolarHBondContact O-N 3.1Å
427Y63.8Low67.4Low184 Ų18459.6 Ų59.672%0.72231%0.311SS*.Hα-helixtrans-53.9-44.3179.3177.9-98.3000112.5R430 L431Y427-R430 PolarHBondContact O-N 3.5Å; Y427-L431 HydrophobicContact CE1-CD1 3.89Å; Y427-L431 VanDerWaalsContact O-CB 3.31Å; Y427-L431 WeakPolarHBondContact O-CB 3.25Å; Y427-L431 PolarHBondContact O-N 2.82Å
428I66.1Low68.7Low138 Ų13861.3 Ų61.371%0.70832%0.321SS*.Hα-helixtrans-61.6-46.8179.2-62.8173.1000111.1G426 L431 S432G426-I428 VanDerWaalsContact C-N 3.29Å; G426-I428 PolarHBondContact O-N 2.96Å; I428-L431 PolarHBondContact O-N 3.14Å; I428-S432 PolarHBondContact O-N 3.39Å; I428-S432 PolarHBondContact O-OG 3.05Å
429A68.5Low70.3Confident14 Ų1461.2 Ų61.212%0.11632%0.321CS..Hα-helixtrans-67.6-36.4-17900000112.2M406 Y424 G426 S432 R433M406-A429 HydrophobicContact CG-CB 3.93Å; M406-A429 HydrophobicContact SD-CB 4.07Å; Y424-A429 WeakPolarHBondContact O-CB 3.44Å; G426-A429 PolarHBondContact O-N 2.92Å; G426-A429 VanDerWaalsContact O-N 3.16Å; A429-S432 WeakPolarHBondContact CA-OG 3.08Å; A429-S432 PolarHBondContact O-OG 3.37Å; A429-R433 WeakPolarHBondContact O-CB 3.45Å; A429-R433 VanDerWaalsContact O-CG 3.32Å; A429-R433 WeakPolarHBondContact O-CG 3.35Å; A429-R433 PolarHBondContact O-N 2.92Å; A429-R433 PolarHBondContact O-NE 3.34Å
430R72.7Confident71.8Confident138 Ų13862.6 Ų62.652%0.52133%0.327SS..Hα-helixtrans-65.2-41.6171.7-173173.4-179.4160.11111.4G426 Y427 R433 M434G426-R430 PolarHBondContact O-N 3.1Å; Y427-R430 PolarHBondContact O-N 3.5Å; R430-R433 WeakPolarHBondContact O-CB 3.49Å; R430-R433 PolarHBondContact O-N 3.39Å; R430-M434 WeakPolarHBondContact O-CG 3.46Å; R430-M434 PolarHBondContact O-N 3.48Å
431L75.3Confident73.1Confident76 Ų7662.4 Ų62.440%0.39833%0.326SS..Hα-helixtrans-68.1-44178.9-169.4135.8000111.6Y427 I428 R433 M434 I435Y427-L431 HydrophobicContact CE1-CD1 3.89Å; Y427-L431 VanDerWaalsContact O-CB 3.31Å; Y427-L431 WeakPolarHBondContact O-CB 3.25Å; Y427-L431 PolarHBondContact O-N 2.82Å; I428-L431 PolarHBondContact O-N 3.14Å; L431-R433 VanDerWaalsContact C-N 3.33Å; L431-R433 PolarHBondContact O-N 2.96Å; L431-M434 PolarHBondContact O-N 2.99Å; L431-I435 HydrophobicContact CD2-CD1 3.53Å; L431-I435 HydrophobicContact CD2-CG1 4.47Å; L431-I435 HydrophobicContact CG-CD1 4.4Å; L431-I435 WeakPolarHBondContact O-CG1 3.35Å; L431-I435 PolarHBondContact O-N 3.4Å
432S77.2Confident74.4Confident28 Ų2863.7 Ų63.720%0.19633%0.332CS..Hα-helixtrans-62.5-39174.357.40000112.1M406 I428 A429 I435 C436M406-S432 WeakPolarHBondContact CE-OG 3.45Å; M406-S432 PolarHBondContact SD-OG 3.06Å; I428-S432 PolarHBondContact O-N 3.39Å; I428-S432 PolarHBondContact O-OG 3.05Å; A429-S432 WeakPolarHBondContact CA-OG 3.08Å; A429-S432 PolarHBondContact O-OG 3.37Å; S432-I435 PolarHBondContact O-N 3.38Å; S432-C436 WeakPolarHBondContact O-CB 3.32Å; S432-C436 PolarHBondContact O-N 3.41Å; S432-C436 PolarHBondContact O-SG 2.84Å
433R79.7Confident75.9Confident10 Ų1065.6 Ų65.64%0.03834%0.337CS..Hα-helixtrans-57.3-48.1171.7-88-175.4-94.3136.3-5.3112.8M406 I407 D411 Y424 A429 R430 L431 I435 C436 F437M406-R433 WeakPolarHBondContact O-CD 3.19Å; M406-R433 WeakPolarHBondContact O-CG 3.44Å; M406-R433 PolarHBondContact O-NE 3.09Å; M406-R433 HydrophobicContact SD-CG 4.12Å; I407-R433 WeakPolarHBondContact O-CG 3.39Å; D411-R433 VanDerWaalsContact CG-NH1 3.29Å; D411-R433 IonicContact OD1-CZ 3.87Å; D411-R433 IonicContact OD1-NH1 3.73Å; D411-R433 PolarHBondContact OD1-NH1 3.08Å; D411-R433 IonicContact OD1-NH2 3.12Å; D411-R433 IonicContact OD2-NH1 2.64Å; D411-R433 PolarHBondContact OD2-NH1 3.16Å; D411-R433 VanDerWaalsContact OD2-NH1 3.09Å; Y424-R433 PolarHBondContact O-NH2 3.2Å; A429-R433 WeakPolarHBondContact O-CB 3.45Å; A429-R433 VanDerWaalsContact O-CG 3.32Å; A429-R433 WeakPolarHBondContact O-CG 3.35Å; A429-R433 PolarHBondContact O-N 2.92Å; A429-R433 PolarHBondContact O-NE 3.34Å; R430-R433 WeakPolarHBondContact O-CB 3.49Å; R430-R433 PolarHBondContact O-N 3.39Å; L431-R433 VanDerWaalsContact C-N 3.33Å; L431-R433 PolarHBondContact O-N 2.96Å; R433-I435 VanDerWaalsContact C-N 3.32Å; R433-I435 PolarHBondContact O-N 3.48Å; R433-C436 PolarHBondContact O-N 2.9Å; R433-F437 PolarHBondContact O-N 3.39Å
434M81.7Confident77Confident49 Ų4962.2 Ų62.224%0.24132%0.32CS..Hα-helixtrans-61.1-43.5177.8-68.1-54.2-175.800111R430 L431 L438 M502R430-M434 WeakPolarHBondContact O-CG 3.46Å; R430-M434 PolarHBondContact O-N 3.48Å; L431-M434 PolarHBondContact O-N 2.99Å; M434-L438 WeakPolarHBondContact O-CB 3.36Å; M434-L438 PolarHBondContact O-N 2.86Å; M434-M502 HydrophobicContact CB-CG 4.21Å; M434-M502 HydrophobicContact CG-CG 4.31Å; M434-M502 HydrophobicContact SD-CG 3.52Å; M434-M502 VanDerWaalsContact SD-CG 3.52Å
435I83.9Confident78.1Confident88 Ų8861.4 Ų61.445%0.45132%0.317SS..Hα-helixtrans-62.7-47176.6-66.1168.6000111.1L431 S432 R433 L438 L439L431-I435 HydrophobicContact CD2-CD1 3.53Å; L431-I435 HydrophobicContact CD2-CG1 4.47Å; L431-I435 HydrophobicContact CG-CD1 4.4Å; L431-I435 WeakPolarHBondContact O-CG1 3.35Å; L431-I435 PolarHBondContact O-N 3.4Å; S432-I435 PolarHBondContact O-N 3.38Å; R433-I435 VanDerWaalsContact C-N 3.32Å; R433-I435 PolarHBondContact O-N 3.48Å; I435-L438 WeakPolarHBondContact O-CB 3.4Å; I435-L438 PolarHBondContact O-N 3.46Å; I435-L439 HydrophobicContact CG2-CD1 4.25Å; I435-L439 WeakPolarHBondContact O-CG 3.27Å; I435-L439 PolarHBondContact O-N 3.36Å
436C85.3Confident79.2Confident42 Ų4263 Ų6328%0.28431%0.313SS..Hα-helixtrans-63.9-43.1-179.9-70.50000112.3I407 S432 R433 L438 L439 F440I407-C436 HydrophobicContact CD1-CB 4.18Å; I407-C436 HydrophobicContact CG1-CB 4.03Å; I407-C436 HydrophobicContact CG2-CB 3.72Å; S432-C436 WeakPolarHBondContact O-CB 3.32Å; S432-C436 PolarHBondContact O-N 3.41Å; S432-C436 PolarHBondContact O-SG 2.84Å; R433-C436 PolarHBondContact O-N 2.9Å; C436-L438 VanDerWaalsContact C-N 3.34Å; C436-L439 PolarHBondContact O-N 3.39Å; C436-F440 VanDerWaalsContact O-CB 3.27Å; C436-F440 WeakPolarHBondContact O-CB 3.46Å; C436-F440 PolarHBondContact O-N 2.92Å
437F85.1Confident80.1Confident5 Ų564.8 Ų64.82%0.02231%0.31CS..Hα-helixtrans-72.8-26176.1-84.9-65.7000113.3I407 R433 F440 G441 R508 L512I407-F437 HydrophobicContact CG2-CE2 4.32Å; I407-F437 WeakPolarHBondContact O-CE2 3.24Å; R433-F437 PolarHBondContact O-N 3.39Å; F437-F440 HydrophobicContact CD1-CD1 4.04Å; F437-F440 HydrophobicContact CE1-CD1 4.22Å; F437-G441 PolarHBondContact O-N 2.94Å; F437-R508 HydrophobicContact CD1-CB 4.24Å; F437-R508 HydrophobicContact CD1-CG 3.76Å; F437-R508 HydrophobicContact CD2-CG 4.23Å; F437-R508 HydrophobicContact CE1-CB 3.74Å; F437-R508 HydrophobicContact CE1-CG 3.75Å; F437-R508 HydrophobicContact CE2-CB 4.49Å; F437-R508 HydrophobicContact CE2-CG 4.17Å; F437-R508 HydrophobicContact CG-CG 4.02Å; F437-R508 HydrophobicContact CZ-CB 3.88Å; F437-R508 HydrophobicContact CZ-CG 3.96Å; F437-L512 HydrophobicContact CZ-CD1 4.42Å
438L85.6Confident80.8Confident69 Ų6957.4 Ų57.436%0.36128%0.281SS..Hα-helixtrans-64.5-50.9168.9-175.8158.7000110M434 I435 C436 F440 G441 I442M434-L438 WeakPolarHBondContact O-CB 3.36Å; M434-L438 PolarHBondContact O-N 2.86Å; I435-L438 WeakPolarHBondContact O-CB 3.4Å; I435-L438 PolarHBondContact O-N 3.46Å; C436-L438 VanDerWaalsContact C-N 3.34Å; L438-F440 VanDerWaalsContact C-N 3.35Å; L438-F440 PolarHBondContact O-N 3.45Å; L438-G441 PolarHBondContact O-N 3.18Å; L438-I442 HydrophobicContact CD2-CD1 3.69Å; L438-I442 HydrophobicContact CD2-CG1 4.4Å; L438-I442 WeakPolarHBondContact O-CG1 3.39Å; L438-I442 PolarHBondContact O-N 2.93Å
439L87.5Confident81.4Confident105 Ų10550.9 Ų50.955%0.5525%0.248SC..Hα-helixtrans-61.7-41.3176.3-68.5175.1000112.2I435 C436 G441 I442 F443I435-L439 HydrophobicContact CG2-CD1 4.25Å; I435-L439 WeakPolarHBondContact O-CG 3.27Å; I435-L439 PolarHBondContact O-N 3.36Å; C436-L439 PolarHBondContact O-N 3.39Å; L439-G441 VanDerWaalsContact C-N 3.35Å; L439-I442 WeakPolarHBondContact O-CB 3.43Å; L439-I442 PolarHBondContact O-N 3.17Å; L439-F443 PolarHBondContact O-N 3.23Å
440F85.6Confident81.5Confident46 Ų4652.6 Ų52.620%0.20226%0.262CS..Hα-helixtrans-65.8-38.5176.5-173-123.4000112.1C436 F437 L438 I442 F443 I444 L511 L512 I515C436-F440 VanDerWaalsContact O-CB 3.27Å; C436-F440 WeakPolarHBondContact O-CB 3.46Å; C436-F440 PolarHBondContact O-N 2.92Å; F437-F440 HydrophobicContact CD1-CD1 4.04Å; F437-F440 HydrophobicContact CE1-CD1 4.22Å; L438-F440 VanDerWaalsContact C-N 3.35Å; L438-F440 PolarHBondContact O-N 3.45Å; F440-I442 VanDerWaalsContact C-N 3.34Å; F440-F443 PolarHBondContact O-N 2.74Å; F440-I444 HydrophobicContact CD1-CD1 4.02Å; F440-I444 HydrophobicContact CD2-CD1 4.35Å; F440-I444 HydrophobicContact CE1-CD1 3.46Å; F440-I444 VanDerWaalsContact CE1-CD1 3.46Å; F440-I444 HydrophobicContact CE2-CD1 3.81Å; F440-I444 HydrophobicContact CE2-CG1 4.22Å; F440-I444 HydrophobicContact CG-CD1 4.45Å; F440-I444 HydrophobicContact CZ-CD1 3.35Å; F440-I444 HydrophobicContact CZ-CG1 4.25Å; F440-I444 PolarHBondContact O-N 3.07Å; F440-L511 HydrophobicContact CD1-CB 4.43Å; F440-L511 HydrophobicContact CD1-CD1 4.38Å; F440-L511 HydrophobicContact CE1-CB 3.77Å; F440-L512 HydrophobicContact CE1-CD2 4.04Å; F440-L512 HydrophobicContact CE1-CG 4.37Å; F440-L512 HydrophobicContact CZ-CD2 4.06Å; F440-I515 HydrophobicContact CZ-CD1 4.26Å
441G85.9Confident81.4Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-63.5-37.9172.400000112.5F437 L438 L439 G445 I497 T498F437-G441 PolarHBondContact O-N 2.94Å; L438-G441 PolarHBondContact O-N 3.18Å; L439-G441 VanDerWaalsContact C-N 3.35Å; G441-G445 WeakPolarHBondContact O-CA 3.38Å; G441-G445 PolarHBondContact O-N 2.85Å; G441-I497 WeakPolarHBondContact O-CG2 3.28Å; G441-T498 VanDerWaalsContact C-CG2 3.49Å
442I86.1Confident81Confident63 Ų6346 Ų4632%0.32324%0.24SC..Hα-helixtrans-63-49.9173.7-68.9172.3000109L438 L439 F440 I444 G445 E446 T498L438-I442 HydrophobicContact CD2-CD1 3.69Å; L438-I442 HydrophobicContact CD2-CG1 4.4Å; L438-I442 WeakPolarHBondContact O-CG1 3.39Å; L438-I442 PolarHBondContact O-N 2.93Å; L439-I442 WeakPolarHBondContact O-CB 3.43Å; L439-I442 PolarHBondContact O-N 3.17Å; F440-I442 VanDerWaalsContact C-N 3.34Å; I442-I444 PolarHBondContact O-N 2.82Å; I442-G445 PolarHBondContact O-N 2.78Å; I442-E446 HydrophobicContact CG2-CG 4.45Å; I442-E446 WeakPolarHBondContact O-CG 3.1Å; I442-E446 PolarHBondContact O-N 3.21Å; I442-T498 HydrophobicContact CB-CG2 4.23Å; I442-T498 HydrophobicContact CG1-CG2 3.44Å; I442-T498 VanDerWaalsContact CG1-CG2 3.44Å; I442-T498 VanDerWaalsContact N-CG2 3.35Å
443F85Confident80.6Confident140 Ų14045.8 Ų45.861%0.61424%0.236SC*.Hα-helixtrans-59.4-47.5-179.3178-98.8000112.8L439 F440 G445 E446 F447L439-F443 PolarHBondContact O-N 3.23Å; F440-F443 PolarHBondContact O-N 2.74Å; F443-G445 VanDerWaalsContact C-N 3.34Å; F443-E446 PolarHBondContact O-N 3.32Å; F443-F447 WeakPolarHBondContact O-CB 3.49Å; F443-F447 PolarHBondContact O-N 3.44Å
444I82.6Confident79.7Confident13 Ų1348.1 Ų48.17%0.06725%0.253CS..Hα-helixtrans-68.7-35.9177-69.1178.3000111.3F440 I442 F447 F448 L511F440-I444 HydrophobicContact CD1-CD1 4.02Å; F440-I444 HydrophobicContact CD2-CD1 4.35Å; F440-I444 HydrophobicContact CE1-CD1 3.46Å; F440-I444 VanDerWaalsContact CE1-CD1 3.46Å; F440-I444 HydrophobicContact CE2-CD1 3.81Å; F440-I444 HydrophobicContact CE2-CG1 4.22Å; F440-I444 HydrophobicContact CG-CD1 4.45Å; F440-I444 HydrophobicContact CZ-CD1 3.35Å; F440-I444 HydrophobicContact CZ-CG1 4.25Å; F440-I444 PolarHBondContact O-N 3.07Å; I442-I444 PolarHBondContact O-N 2.82Å; I444-F447 PolarHBondContact O-N 3.43Å; I444-F448 VanDerWaalsContact O-CB 3.27Å; I444-F448 WeakPolarHBondContact O-CB 3.33Å; I444-F448 PolarHBondContact O-N 2.86Å; I444-L511 HydrophobicContact CB-CD2 4.34Å; I444-L511 HydrophobicContact CD1-CB 3.79Å; I444-L511 HydrophobicContact CD1-CD1 4.45Å; I444-L511 HydrophobicContact CD1-CD2 3.7Å; I444-L511 HydrophobicContact CD1-CG 4.18Å; I444-L511 HydrophobicContact CG2-CD2 3.8Å
445G83.6Confident78.7Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-58.3-47.8173.900000111.5G441 I442 F443 F448 L449G441-G445 WeakPolarHBondContact O-CA 3.38Å; G441-G445 PolarHBondContact O-N 2.85Å; I442-G445 PolarHBondContact O-N 2.78Å; F443-G445 VanDerWaalsContact C-N 3.34Å; G445-F448 PolarHBondContact O-N 3.44Å; G445-L449 WeakPolarHBondContact O-CB 3.29Å; G445-L449 WeakPolarHBondContact O-CD1 3.33Å; G445-L449 WeakPolarHBondContact O-CG 3.18Å; G445-L449 PolarHBondContact O-N 3.25Å
446E82.4Confident77.4Confident78 Ų7851.7 Ų51.736%0.36427%0.271SS..Hα-helixtrans-65.8-42.5176.1-70-56.3149.700112.1I442 F443 F448 L449 A450 R494I442-E446 HydrophobicContact CG2-CG 4.45Å; I442-E446 WeakPolarHBondContact O-CG 3.1Å; I442-E446 PolarHBondContact O-N 3.21Å; F443-E446 PolarHBondContact O-N 3.32Å; E446-F448 PolarHBondContact O-N 3.07Å; E446-L449 PolarHBondContact O-N 3.17Å; E446-A450 VanDerWaalsContact O-CB 3.24Å; E446-A450 WeakPolarHBondContact O-CB 3.39Å; E446-A450 PolarHBondContact O-N 3.3Å; E446-R494 VanDerWaalsContact OE1-CD 3.28Å; E446-R494 WeakPolarHBondContact OE1-CD 3.13Å; E446-R494 IonicContact OE1-NH1 3.78Å; E446-R494 PolarHBondContact OE1-NH1 3.32Å
447F79.1Confident75.9Confident74 Ų7452.5 Ų52.533%0.32527%0.272SS..Hα-helixtrans-56.7-50.7174.2178.6-100.2000110.9F443 I444 L449 A450 T451 Y526F443-F447 WeakPolarHBondContact O-CB 3.49Å; F443-F447 PolarHBondContact O-N 3.44Å; I444-F447 PolarHBondContact O-N 3.43Å; F447-L449 PolarHBondContact O-N 3.2Å; F447-A450 PolarHBondContact O-N 3.43Å; F447-T451 HydrophobicContact CD1-CG2 4.31Å; F447-T451 HydrophobicContact CE1-CG2 4.09Å; F447-T451 HydrophobicContact CZ-CG2 4.26Å; F447-T451 WeakPolarHBondContact O-CG2 3.33Å; F447-T451 PolarHBondContact O-N 2.74Å; F447-Y526 HydrophobicContact CZ-CE1 4.16Å
448F78Confident74.3Confident30 Ų3059.3 Ų59.313%0.13230%0.304CS..Hα-helixtrans-63.7-40.3179.2-179-99.3000113I444 G445 E446 T451 V452 I493 I497 L854 F857I444-F448 VanDerWaalsContact O-CB 3.27Å; I444-F448 WeakPolarHBondContact O-CB 3.33Å; I444-F448 PolarHBondContact O-N 2.86Å; G445-F448 PolarHBondContact O-N 3.44Å; E446-F448 PolarHBondContact O-N 3.07Å; F448-T451 PolarHBondContact O-N 2.74Å; F448-T451 PolarHBondContact O-OG1 3.42Å; F448-V452 HydrophobicContact CD1-CG2 4.4Å; F448-V452 HydrophobicContact CD2-CG2 4.42Å; F448-V452 HydrophobicContact CE1-CG2 3.95Å; F448-V452 HydrophobicContact CE2-CG2 3.97Å; F448-V452 HydrophobicContact CZ-CG2 3.71Å; F448-V452 WeakPolarHBondContact O-CG2 3.34Å; F448-V452 PolarHBondContact O-N 2.88Å; F448-I493 HydrophobicContact CD1-CG2 4.24Å; F448-I493 HydrophobicContact CE1-CG2 4.42Å; F448-I497 HydrophobicContact CD1-CD1 4.29Å; F448-L854 HydrophobicContact CE2-CD2 3.72Å; F448-L854 HydrophobicContact CZ-CD2 3.73Å; F448-F857 AromaticContact CD2-CE2 3.74Å; F448-F857 HydrophobicContact CD2-CE2 3.74Å; F448-F857 AromaticContact CD2-CZ 3.91Å; F448-F857 HydrophobicContact CD2-CZ 3.91Å; F448-F857 HydrophobicContact CE2-CE2 4.13Å; F448-F857 HydrophobicContact CE2-CZ 4.49Å
449L78.9Confident72.3Confident1 Ų161.1 Ų61.11%0.00532%0.323CS..Hα-helixtrans-70-35.4177.8-74.1166.5000112.1G445 E446 F447 T451 I453 R490 I493 R494G445-L449 WeakPolarHBondContact O-CB 3.29Å; G445-L449 WeakPolarHBondContact O-CD1 3.33Å; G445-L449 WeakPolarHBondContact O-CG 3.18Å; G445-L449 PolarHBondContact O-N 3.25Å; E446-L449 PolarHBondContact O-N 3.17Å; F447-L449 PolarHBondContact O-N 3.2Å; L449-T451 PolarHBondContact O-N 3.32Å; L449-I453 HydrophobicContact CD2-CD1 3.72Å; L449-I453 WeakPolarHBondContact O-CB 3.49Å; L449-I453 PolarHBondContact O-N 2.85Å; L449-R490 HydrophobicContact CD1-CB 4.11Å; L449-R490 HydrophobicContact CD1-CG 4.31Å; L449-R490 VanDerWaalsContact CD1-O 3.28Å; L449-R490 WeakPolarHBondContact CD1-O 3.37Å; L449-R490 HydrophobicContact CD2-CG 4.15Å; L449-R490 PolarHBondContact O-NH1 3.19Å; L449-I493 HydrophobicContact CD1-CB 4.5Å; L449-I493 HydrophobicContact CD1-CG2 4.4Å; L449-I493 HydrophobicContact CD2-CB 3.94Å; L449-I493 HydrophobicContact CD2-CD1 3.76Å; L449-I493 HydrophobicContact CD2-CG1 4.44Å; L449-I493 HydrophobicContact CD2-CG2 3.84Å; L449-I493 HydrophobicContact CG-CG2 4.13Å; L449-R494 HydrophobicContact CD1-CB 4.27Å
450A70.9Confident70.2Confident49 Ų4962.6 Ų62.641%0.40533%0.33SS..Hα-helixtrans-67-26.9172.400000112.4E446 F447 R850E446-A450 VanDerWaalsContact O-CB 3.24Å; E446-A450 WeakPolarHBondContact O-CB 3.39Å; E446-A450 PolarHBondContact O-N 3.3Å; F447-A450 PolarHBondContact O-N 3.43Å; A450-R850 PolarHBondContact O-NH1 3.43Å
451T69.1Low68.1Low2 Ų268.8 Ų68.81%0.01236%0.359CS..Hα-helixtrans-77.9-44.1174.477.20000111.9F447 F448 L449 Y526 R850F447-T451 HydrophobicContact CD1-CG2 4.31Å; F447-T451 HydrophobicContact CE1-CG2 4.09Å; F447-T451 HydrophobicContact CZ-CG2 4.26Å; F447-T451 WeakPolarHBondContact O-CG2 3.33Å; F447-T451 PolarHBondContact O-N 2.74Å; F448-T451 PolarHBondContact O-N 2.74Å; F448-T451 PolarHBondContact O-OG1 3.42Å; L449-T451 PolarHBondContact O-N 3.32Å; T451-Y526 WeakPolarHBondContact CB-OH 3.41Å; T451-Y526 HydrophobicContact CG2-CE1 4.14Å; T451-Y526 HydrophobicContact CG2-CE2 4.11Å; T451-Y526 VanDerWaalsContact CG2-CZ 3.46Å; T451-Y526 WeakPolarHBondContact CG2-OH 3.37Å; T451-R850 WeakPolarHBondContact O-CB 3.27Å; T451-R850 WeakPolarHBondContact O-CD 3.45Å
452V68.6Low65.9Low73 Ų7375.1 Ų75.144%0.44239%0.392SS..Hα-helixtrans-82.4-39.4-172.7177.30000112.5F448F448-V452 HydrophobicContact CD1-CG2 4.4Å; F448-V452 HydrophobicContact CD2-CG2 4.42Å; F448-V452 HydrophobicContact CE1-CG2 3.95Å; F448-V452 HydrophobicContact CE2-CG2 3.97Å; F448-V452 HydrophobicContact CZ-CG2 3.71Å; F448-V452 WeakPolarHBondContact O-CG2 3.34Å; F448-V452 PolarHBondContact O-N 2.88Å
453I67.7Low63.8Low24 Ų2477.7 Ų77.712%0.12341%0.411CS..SBendtrans-95.6124-173.4-55.6173.6000109.1L449 V455 E486 R490L449-I453 HydrophobicContact CD2-CD1 3.72Å; L449-I453 WeakPolarHBondContact O-CB 3.49Å; L449-I453 PolarHBondContact O-N 2.85Å; I453-V455 PolarHBondContact O-N 3.01Å; I453-E486 HydrophobicContact CD1-CG 4.4Å; I453-E486 HydrophobicContact CG2-CG 3.73Å; I453-E486 WeakPolarHBondContact CG2-OE1 3.33Å; I453-R490 VanDerWaalsContact CB-NH2 3.32Å; I453-R490 HydrophobicContact CD1-CG 3.4Å; I453-R490 VanDerWaalsContact CD1-CG 3.4Å
454P61.6Low61.7Low60 Ų6077.4 Ų77.439%0.3943%0.426SS..PPolyproline II helixtrans-57.2133179.525.5-35.2000110.4K456 Y847P454-K456 PolarHBondContact O-N 2.84Å; P454-Y847 HydrophobicContact CB-CD1 3.93Å; P454-Y847 HydrophobicContact CB-CE1 3.34Å; P454-Y847 HydrophobicContact CB-CE2 4.27Å
455V59.4Low59.8Low87 Ų8779.4 Ų79.453%0.52745%0.45SS..PPolyproline II helixtrans-71.2125.6170.1-1800000107I453 N457I453-V455 PolarHBondContact O-N 3.01Å; V455-N457 PolarHBondContact O-N 3.38Å; V455-N457 VanDerWaalsContact O-N 3.17Å
456K56.7Low57.9Low124 Ų12486.1 Ų86.154%0.53949%0.486SS..PPolyproline II helixtrans-59.5119.1176.9-159.7169.9-174.61720108.8P454 N483P454-K456 PolarHBondContact O-N 2.84Å; K456-N483 PolarHBondContact NZ-ND2 3.02Å; K456-N483 PolarHBondContact NZ-OD1 3.03Å
457N53.7Low56.1Low59 Ų5992.1 Ų92.132%0.31651%0.511SS..PPolyproline II helixtrans-66.1148.3170.5-77.5-5.2000108.9V455 S459V455-N457 PolarHBondContact O-N 3.38Å; V455-N457 VanDerWaalsContact O-N 3.17Å; N457-S459 PolarHBondContact O-N 3.45Å; N457-S459 VanDerWaalsContact O-N 3.14Å
458E51.7Low54.7Low149 Ų14992.3 Ų92.370%0.69652%0.518SS*.PPolyproline II helixtrans-47.3123.4170.8-76.8170.7179.600108.5I460 K1025E458-I460 PolarHBondContact O-N 3.05Å; E458-K1025 IonicContact OE1-NZ 3.96Å; E458-K1025 PolarHBondContact OE1-NZ 2.84Å; E458-K1025 IonicContact OE2-NZ 2.69Å; E458-K1025 PolarHBondContact OE2-NZ 3.28Å
459S44.2Very low53.6Low106 Ų10696.7 Ų96.774%0.74154%0.542SS*.PPolyproline II helixtrans-57.2126.5179.445.80000108.7N457 E461N457-S459 PolarHBondContact O-N 3.45Å; N457-S459 VanDerWaalsContact O-N 3.14Å; S459-E461 PolarHBondContact O-N 2.82Å; S459-E461 VanDerWaalsContact O-N 3.08Å
460I43.5Very low52.7Low136 Ų136100.6 Ų100.670%0.69757%0.567SS**  trans-60.4114.7166.4-60.3167000105E458 L462E458-I460 PolarHBondContact O-N 3.05Å; I460-L462 VanDerWaalsContact C-N 3.35Å; I460-L462 PolarHBondContact O-N 3.13Å
461E40.3Very low52.4Low177 Ų177103.3 Ų103.383%0.82758%0.575SS**  trans-55.6104.8168.1-75.2176.5169.500107S459 T463S459-E461 PolarHBondContact O-N 2.82Å; S459-E461 VanDerWaalsContact O-N 3.08Å; E461-T463 PolarHBondContact O-N 3.27Å; E461-T463 VanDerWaalsContact O-N 3.1Å
462L41.5Very low52.3Low132 Ų132109.2 Ų109.269%0.69160%0.598SS**  trans-66.7113.8175.4-158.877.1000105.7I460 S464I460-L462 VanDerWaalsContact C-N 3.35Å; I460-L462 PolarHBondContact O-N 3.13Å; L462-S464 PolarHBondContact O-N 3.47Å; L462-S464 VanDerWaalsContact O-N 3.12Å
463T41.4Very low52.5Low118 Ų118109.4 Ų109.472%0.72460%0.595SS**  trans-48.9122.4175.442.50000108.5E461 G465E461-T463 PolarHBondContact O-N 3.27Å; E461-T463 VanDerWaalsContact O-N 3.1Å; T463-G465 PolarHBondContact O-N 2.91Å
464S40.6Very low52.7Low133 Ų133113.6 Ų113.693%0.9362%0.617SS**THydrogen-bonded Turntrans-67.130.5-167.455.40000115.5L462L462-S464 PolarHBondContact O-N 3.47Å; L462-S464 VanDerWaalsContact O-N 3.12Å
465G42.7Very low53.4Low55 Ų55115.7 Ų115.757%0.56762%0.621SS**THydrogen-bonded Turntrans-97.3-19.9-174.400000115.8T463T463-G465 PolarHBondContact O-N 2.91Å
466D43.7Very low54.1Low142 Ų142117.6 Ų117.676%0.75962%0.619SS**  trans-93.2114.1-169.8-74.3-23000113.1V468D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 3.23Å
467K45.3Very low55.2Low204 Ų204116.2 Ų116.289%0.88762%0.618SS**  trans-76.443.8-169-66176.6172.5176.50115.3
468V48.7Very low56.3Low77 Ų77116 Ų11647%0.46763%0.625SS.*  trans-118.779.5-179.9-1660000111.1D466 P470 D471 Y472D466-V468 VanDerWaalsContact C-N 3.3Å; D466-V468 PolarHBondContact O-N 3.23Å; V468-P470 VanDerWaalsContact C-CD 3.42Å; V468-D471 HydrophobicContact CG1-CB 3.93Å; V468-Y472 PolarHBondContact O-N 3.42Å
469I56.5Low57.5Low123 Ų123113 Ų11363%0.63161%0.61SS**Hα-helixtrans-58.1-39.8-179.6-57.6170000113.3Y472 I473I469-Y472 PolarHBondContact O-N 2.92Å; I469-I473 HydrophobicContact CG2-CD1 3.89Å; I469-I473 HydrophobicContact CG2-CG1 4.5Å; I469-I473 WeakPolarHBondContact O-CG1 3.34Å; I469-I473 PolarHBondContact O-N 3.47Å
470P58.3Low59.1Low83 Ų83110.1 Ų110.154%0.53959%0.593SS.*Hα-helixtrans-65.1-47.9-177.2-19.430.7000113V468 Y472 I473 I474V468-P470 VanDerWaalsContact C-CD 3.42Å; P470-Y472 VanDerWaalsContact C-N 3.27Å; P470-Y472 PolarHBondContact O-N 2.9Å; P470-I473 PolarHBondContact O-N 3.49Å; P470-I474 WeakPolarHBondContact O-CG1 3.43Å; P470-I474 PolarHBondContact O-N 3.25Å; P470-I474 VanDerWaalsContact O-N 3.13Å
471D65Low60.9Low105 Ų105109.1 Ų109.156%0.56159%0.589SS**Hα-helixtrans-65.9-34.6-178.3-71-13000111.3V468 I474 Q475V468-D471 HydrophobicContact CG1-CB 3.93Å; D471-I474 PolarHBondContact O-N 2.88Å; D471-Q475 VanDerWaalsContact O-CB 3.24Å; D471-Q475 WeakPolarHBondContact O-CB 3.1Å; D471-Q475 PolarHBondContact O-N 2.83Å
472Y67.6Low62.7Low126 Ų126103.3 Ų103.349%0.49457%0.57SS.*Hα-helixtrans-66.2-40.7177.2177.5-112.9000113V468 I469 P470 R476V468-Y472 PolarHBondContact O-N 3.42Å; I469-Y472 PolarHBondContact O-N 2.92Å; P470-Y472 VanDerWaalsContact C-N 3.27Å; P470-Y472 PolarHBondContact O-N 2.9Å; Y472-R476 VanDerWaalsContact O-CB 3.31Å; Y472-R476 WeakPolarHBondContact O-CB 3.3Å; Y472-R476 PolarHBondContact O-N 3.33Å; Y472-R476 PolarHBondContact OH-NH2 2.93Å
473I72.1Confident64.6Low77 Ų77100 Ų10040%0.39555%0.553SS.*Hα-helixtrans-65.8-46.9175.8-64.9167.3000110I469 P470 Q475 R476 D477I469-I473 HydrophobicContact CG2-CD1 3.89Å; I469-I473 HydrophobicContact CG2-CG1 4.5Å; I469-I473 WeakPolarHBondContact O-CG1 3.34Å; I469-I473 PolarHBondContact O-N 3.47Å; P470-I473 PolarHBondContact O-N 3.49Å; I473-Q475 VanDerWaalsContact C-N 3.33Å; I473-Q475 PolarHBondContact O-N 2.86Å; I473-R476 PolarHBondContact O-N 2.93Å; I473-D477 PolarHBondContact O-N 3.47Å
474I73.3Confident66.6Low112 Ų11299.1 Ų99.157%0.57454%0.544SS*.Hα-helixtrans-61-42.7178.9-65167.6000110.9P470 D471 D477 A478P470-I474 WeakPolarHBondContact O-CG1 3.43Å; P470-I474 PolarHBondContact O-N 3.25Å; P470-I474 VanDerWaalsContact O-N 3.13Å; D471-I474 PolarHBondContact O-N 2.88Å; I474-D477 PolarHBondContact O-N 3.34Å; I474-A478 VanDerWaalsContact O-CB 3.25Å; I474-A478 WeakPolarHBondContact O-CB 3.27Å; I474-A478 PolarHBondContact O-N 2.91Å
475Q75Confident68.6Low104 Ų10496.5 Ų96.549%0.48652%0.522SS..Hα-helixtrans-64.6-43177.5-175.8177.8-16.200111.3D471 I473 A478 E479D471-Q475 VanDerWaalsContact O-CB 3.24Å; D471-Q475 WeakPolarHBondContact O-CB 3.1Å; D471-Q475 PolarHBondContact O-N 2.83Å; I473-Q475 VanDerWaalsContact C-N 3.33Å; I473-Q475 PolarHBondContact O-N 2.86Å; Q475-A478 PolarHBondContact O-N 2.87Å; Q475-E479 HydrophobicContact CG-CG 4.48Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.45Å; Q475-E479 PolarHBondContact NE2-OE1 3.37Å; Q475-E479 WeakPolarHBondContact O-CB 3.43Å; Q475-E479 VanDerWaalsContact O-CG 3.29Å; Q475-E479 WeakPolarHBondContact O-CG 3.32Å; Q475-E479 PolarHBondContact O-N 3.34Å
476R75.3Confident70.4Confident127 Ų12796.5 Ų96.548%0.47951%0.508SS..Hα-helixtrans-61.7-44.7177.1-174.3-167.3-69.4171.8-16.9111.7Y472 I473 E479 A480Y472-R476 VanDerWaalsContact O-CB 3.31Å; Y472-R476 WeakPolarHBondContact O-CB 3.3Å; Y472-R476 PolarHBondContact O-N 3.33Å; Y472-R476 PolarHBondContact OH-NH2 2.93Å; I473-R476 PolarHBondContact O-N 2.93Å; R476-E479 PolarHBondContact O-N 2.91Å; R476-A480 WeakPolarHBondContact O-CB 3.49Å; R476-A480 PolarHBondContact O-N 3.42Å
477D78.7Confident72.2Confident96 Ų9697.7 Ų97.751%0.51350%0.502SS..Hα-helixtrans-67.7-39.7179.1-70.3-12.2000111.4I473 I474 A480 L481I473-D477 PolarHBondContact O-N 3.47Å; I474-D477 PolarHBondContact O-N 3.34Å; D477-A480 PolarHBondContact O-N 3.45Å; D477-L481 WeakPolarHBondContact O-CB 3.22Å; D477-L481 PolarHBondContact O-N 3.08Å
478A76.5Confident74.1Confident55 Ų5592.9 Ų92.946%0.45549%0.485SS..Hα-helixtrans-63.9-40.4174.100000112I474 Q475 A482I474-A478 VanDerWaalsContact O-CB 3.25Å; I474-A478 WeakPolarHBondContact O-CB 3.27Å; I474-A478 PolarHBondContact O-N 2.91Å; Q475-A478 PolarHBondContact O-N 2.87Å; A478-A482 VanDerWaalsContact O-CB 3.28Å; A478-A482 WeakPolarHBondContact O-CB 3.38Å; A478-A482 PolarHBondContact O-N 2.84Å
479E76.8Confident75.7Confident85 Ų8592 Ų9240%0.39748%0.479SS..Hα-helixtrans-66.8-39.7175-76.9-179.5-159.400112Q475 R476 N483Q475-E479 HydrophobicContact CG-CG 4.48Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.45Å; Q475-E479 PolarHBondContact NE2-OE1 3.37Å; Q475-E479 WeakPolarHBondContact O-CB 3.43Å; Q475-E479 VanDerWaalsContact O-CG 3.29Å; Q475-E479 WeakPolarHBondContact O-CG 3.32Å; Q475-E479 PolarHBondContact O-N 3.34Å; R476-E479 PolarHBondContact O-N 2.91Å; E479-N483 PolarHBondContact O-N 3.09Å; E479-N483 VanDerWaalsContact O-N 3.08Å; E479-N483 PolarHBondContact O-ND2 3.19Å; E479-N483 PolarHBondContact O-OD1 2.67Å
480A78.8Confident77Confident46 Ų4688.3 Ų88.338%0.3846%0.458SS..Hα-helixtrans-63-49.7175.200000111.1R476 D477 A482 N483 D484R476-A480 WeakPolarHBondContact O-CB 3.49Å; R476-A480 PolarHBondContact O-N 3.42Å; D477-A480 PolarHBondContact O-N 3.45Å; A480-A482 VanDerWaalsContact C-N 3.33Å; A480-A482 PolarHBondContact O-N 3.48Å; A480-N483 PolarHBondContact O-N 3.49Å; A480-D484 PolarHBondContact O-N 3.44Å
481L81.4Confident78.3Confident115 Ų11586.2 Ų86.260%0.60244%0.442SS*.Hα-helixtrans-60-41.8177.2-178.164.5000112.1D477 N483 D484 V485D477-L481 WeakPolarHBondContact O-CB 3.22Å; D477-L481 PolarHBondContact O-N 3.08Å; L481-N483 VanDerWaalsContact C-N 3.35Å; L481-N483 PolarHBondContact O-N 2.99Å; L481-D484 PolarHBondContact O-N 2.87Å; L481-V485 HydrophobicContact CD1-CG2 4.46Å; L481-V485 WeakPolarHBondContact O-CG2 3.49Å; L481-V485 PolarHBondContact O-N 3.12Å
482A78.5Confident79.3Confident54 Ų5487.6 Ų87.645%0.44644%0.443SS..Hα-helixtrans-62.3-41.6177.100000112A478 A480 V485 E486A478-A482 VanDerWaalsContact O-CB 3.28Å; A478-A482 WeakPolarHBondContact O-CB 3.38Å; A478-A482 PolarHBondContact O-N 2.84Å; A480-A482 VanDerWaalsContact C-N 3.33Å; A480-A482 PolarHBondContact O-N 3.48Å; A482-V485 PolarHBondContact O-N 2.83Å; A482-E486 WeakPolarHBondContact O-CB 3.18Å; A482-E486 PolarHBondContact O-N 3.49Å
483N80.3Confident80.1Confident62 Ų6284.1 Ų84.133%0.33243%0.432SS..Hα-helixtrans-65.8-38.7177.5-58.5-35.1000111.4K456 E479 A480 L481 E486 W487K456-N483 PolarHBondContact NZ-ND2 3.02Å; K456-N483 PolarHBondContact NZ-OD1 3.03Å; E479-N483 PolarHBondContact O-N 3.09Å; E479-N483 VanDerWaalsContact O-N 3.08Å; E479-N483 PolarHBondContact O-ND2 3.19Å; E479-N483 PolarHBondContact O-OD1 2.67Å; A480-N483 PolarHBondContact O-N 3.49Å; L481-N483 VanDerWaalsContact C-N 3.35Å; L481-N483 PolarHBondContact O-N 2.99Å; N483-E486 WeakPolarHBondContact O-CB 3.23Å; N483-E486 PolarHBondContact O-N 3.35Å; N483-W487 WeakPolarHBondContact O-CB 3.49Å; N483-W487 PolarHBondContact O-N 2.9Å
484D83.7Confident80.7Confident100 Ų10083.7 Ų83.754%0.53543%0.426SS..Hα-helixtrans-66.3-44.9177.7-74.6-14000111.8A480 L481 E486 W487 I488A480-D484 PolarHBondContact O-N 3.44Å; L481-D484 PolarHBondContact O-N 2.87Å; D484-E486 VanDerWaalsContact C-N 3.32Å; D484-E486 PolarHBondContact O-N 3Å; D484-W487 PolarHBondContact O-N 3.37Å; D484-I488 VanDerWaalsContact O-CG1 3.31Å; D484-I488 WeakPolarHBondContact O-CG1 3.39Å; D484-I488 PolarHBondContact O-N 2.75Å
485V82.2Confident81.4Confident78 Ų7882.2 Ų82.247%0.47342%0.418SS..Hα-helixtrans-62.5-41.4175.3173.70000110.8L481 A482 W487 I488 T489L481-V485 HydrophobicContact CD1-CG2 4.46Å; L481-V485 WeakPolarHBondContact O-CG2 3.49Å; L481-V485 PolarHBondContact O-N 3.12Å; A482-V485 PolarHBondContact O-N 2.83Å; V485-W487 PolarHBondContact O-N 2.78Å; V485-I488 PolarHBondContact O-N 2.76Å; V485-T489 HydrophobicContact CG1-CG2 4.28Å; V485-T489 WeakPolarHBondContact O-CB 3.24Å; V485-T489 VanDerWaalsContact O-CG2 3.22Å; V485-T489 WeakPolarHBondContact O-CG2 3.49Å; V485-T489 PolarHBondContact O-N 3.06Å; V485-T489 PolarHBondContact O-OG1 3.43Å
486E81.1Confident82Confident55 Ų5580.9 Ų80.926%0.25741%0.414SS..Hα-helixtrans-59.6-46.1174.4-170-169.3151.800111.4I453 A482 N483 D484 T489 R490I453-E486 HydrophobicContact CD1-CG 4.4Å; I453-E486 HydrophobicContact CG2-CG 3.73Å; I453-E486 WeakPolarHBondContact CG2-OE1 3.33Å; A482-E486 WeakPolarHBondContact O-CB 3.18Å; A482-E486 PolarHBondContact O-N 3.49Å; N483-E486 WeakPolarHBondContact O-CB 3.23Å; N483-E486 PolarHBondContact O-N 3.35Å; D484-E486 VanDerWaalsContact C-N 3.32Å; D484-E486 PolarHBondContact O-N 3Å; E486-T489 WeakPolarHBondContact CA-OG1 3.19Å; E486-T489 PolarHBondContact O-N 3.16Å; E486-T489 PolarHBondContact O-OG1 3.18Å; E486-R490 WeakPolarHBondContact O-CB 3.32Å; E486-R490 VanDerWaalsContact O-CG 3.25Å; E486-R490 WeakPolarHBondContact O-CG 3.36Å; E486-R490 PolarHBondContact O-N 3.3Å; E486-R490 IonicContact OE1-CZ 2.85Å; E486-R490 IonicContact OE1-NE 3.78Å; E486-R490 PolarHBondContact OE1-NE 3.09Å; E486-R490 IonicContact OE1-NH2 2.77Å; E486-R490 PolarHBondContact OE1-NH2 2.77Å
487W82.2Confident82.6Confident167 Ų16775.9 Ų75.963%0.63340%0.396SS*.Hα-helixtrans-63.9-46.7179.7-177.383.5000112.1N483 D484 V485 T489 R490 I491N483-W487 WeakPolarHBondContact O-CB 3.49Å; N483-W487 PolarHBondContact O-N 2.9Å; D484-W487 PolarHBondContact O-N 3.37Å; V485-W487 PolarHBondContact O-N 2.78Å; W487-T489 PolarHBondContact O-N 3.18Å; W487-R490 PolarHBondContact O-N 3.37Å; W487-I491 HydrophobicContact CD2-CD1 3.63Å; W487-I491 HydrophobicContact CE3-CD1 3.88Å; W487-I491 HydrophobicContact CG-CD1 4.41Å; W487-I491 HydrophobicContact CH2-CD1 3.49Å; W487-I491 VanDerWaalsContact CH2-CD1 3.49Å; W487-I491 HydrophobicContact CZ2-CD1 3.22Å; W487-I491 HydrophobicContact CZ3-CD1 3.81Å; W487-I491 WeakPolarHBondContact O-CG1 3.39Å; W487-I491 PolarHBondContact O-N 3.37Å
488I84.4Confident83Confident103 Ų10372.2 Ų72.253%0.52838%0.377SS..Hα-helixtrans-61.4-46177.7-66.2169.7000110.7D484 V485 I491 F492D484-I488 VanDerWaalsContact O-CG1 3.31Å; D484-I488 WeakPolarHBondContact O-CG1 3.39Å; D484-I488 PolarHBondContact O-N 2.75Å; V485-I488 PolarHBondContact O-N 2.76Å; I488-I491 PolarHBondContact O-N 3.15Å; I488-F492 WeakPolarHBondContact O-CB 3.23Å; I488-F492 PolarHBondContact O-N 3.28Å
489T82Confident83.4Confident58 Ų5874 Ų7436%0.35638%0.379SS..Hα-helixtrans-65.2-41.5-179.952.40000112.2V485 E486 W487 I491 F492 I493V485-T489 HydrophobicContact CG1-CG2 4.28Å; V485-T489 WeakPolarHBondContact O-CB 3.24Å; V485-T489 VanDerWaalsContact O-CG2 3.22Å; V485-T489 WeakPolarHBondContact O-CG2 3.49Å; V485-T489 PolarHBondContact O-N 3.06Å; V485-T489 PolarHBondContact O-OG1 3.43Å; E486-T489 WeakPolarHBondContact CA-OG1 3.19Å; E486-T489 PolarHBondContact O-N 3.16Å; E486-T489 PolarHBondContact O-OG1 3.18Å; W487-T489 PolarHBondContact O-N 3.18Å; T489-I491 PolarHBondContact O-N 3.02Å; T489-F492 PolarHBondContact O-N 3.34Å; T489-I493 WeakPolarHBondContact O-CB 3.28Å; T489-I493 WeakPolarHBondContact O-CG1 3.31Å; T489-I493 PolarHBondContact O-N 3.31Å
490R84.4Confident83.9Confident47 Ų4772.3 Ų72.318%0.17737%0.374CS..Hα-helixtrans-56.7-48.1172.3-77.4178.2-175.6-78.95111.5L449 I453 E486 W487 R494L449-R490 HydrophobicContact CD1-CB 4.11Å; L449-R490 HydrophobicContact CD1-CG 4.31Å; L449-R490 VanDerWaalsContact CD1-O 3.28Å; L449-R490 WeakPolarHBondContact CD1-O 3.37Å; L449-R490 HydrophobicContact CD2-CG 4.15Å; L449-R490 PolarHBondContact O-NH1 3.19Å; I453-R490 VanDerWaalsContact CB-NH2 3.32Å; I453-R490 HydrophobicContact CD1-CG 3.4Å; I453-R490 VanDerWaalsContact CD1-CG 3.4Å; E486-R490 WeakPolarHBondContact O-CB 3.32Å; E486-R490 VanDerWaalsContact O-CG 3.25Å; E486-R490 WeakPolarHBondContact O-CG 3.36Å; E486-R490 PolarHBondContact O-N 3.3Å; E486-R490 IonicContact OE1-CZ 2.85Å; E486-R490 IonicContact OE1-NE 3.78Å; E486-R490 PolarHBondContact OE1-NE 3.09Å; E486-R490 IonicContact OE1-NH2 2.77Å; E486-R490 PolarHBondContact OE1-NH2 2.77Å; W487-R490 PolarHBondContact O-N 3.37Å; R490-R494 VanDerWaalsContact O-CB 3.3Å; R490-R494 WeakPolarHBondContact O-CB 3.31Å; R490-R494 PolarHBondContact O-N 2.64Å
491I84.7Confident84.2Confident39 Ų3970.1 Ų70.120%0.236%0.356CS..Hα-helixtrans-62-47.6178.9-70.1-179.9000111.1W487 I488 T489 R494 I495W487-I491 HydrophobicContact CD2-CD1 3.63Å; W487-I491 HydrophobicContact CE3-CD1 3.88Å; W487-I491 HydrophobicContact CG-CD1 4.41Å; W487-I491 HydrophobicContact CH2-CD1 3.49Å; W487-I491 VanDerWaalsContact CH2-CD1 3.49Å; W487-I491 HydrophobicContact CZ2-CD1 3.22Å; W487-I491 HydrophobicContact CZ3-CD1 3.81Å; W487-I491 WeakPolarHBondContact O-CG1 3.39Å; W487-I491 PolarHBondContact O-N 3.37Å; I488-I491 PolarHBondContact O-N 3.15Å; T489-I491 PolarHBondContact O-N 3.02Å; I491-R494 PolarHBondContact O-N 3.14Å; I491-I495 HydrophobicContact CG2-CD1 3.62Å; I491-I495 HydrophobicContact CG2-CG1 4.34Å; I491-I495 VanDerWaalsContact O-CG1 3.31Å; I491-I495 WeakPolarHBondContact O-CG1 3.33Å; I491-I495 PolarHBondContact O-N 2.53Å
492F86Confident84.3Confident134 Ų13467.4 Ų67.459%0.58834%0.341SS*.Hα-helixtrans-61.1-49.2-177.6-176.7-105.1000112.2I488 T489 R494 I495 I496I488-F492 WeakPolarHBondContact O-CB 3.23Å; I488-F492 PolarHBondContact O-N 3.28Å; T489-F492 PolarHBondContact O-N 3.34Å; F492-R494 VanDerWaalsContact C-N 3.34Å; F492-R494 PolarHBondContact O-N 3.4Å; F492-I495 PolarHBondContact O-N 3.17Å; F492-I496 HydrophobicContact CD1-CD1 3.75Å; F492-I496 HydrophobicContact CE1-CD1 3.25Å; F492-I496 HydrophobicContact CE1-CG1 4.47Å; F492-I496 HydrophobicContact CE2-CD1 4.1Å; F492-I496 HydrophobicContact CG-CD1 4.36Å; F492-I496 HydrophobicContact CZ-CD1 3.47Å; F492-I496 VanDerWaalsContact CZ-CD1 3.47Å; F492-I496 HydrophobicContact CZ-CG1 4.47Å; F492-I496 WeakPolarHBondContact O-CG1 3.5Å; F492-I496 PolarHBondContact O-N 3.37Å
493I84.8Confident84.4Confident53 Ų5370 Ų7027%0.27235%0.351SS..Hα-helixtrans-61.7-42.8178.2-68.9168000110.7F448 L449 T489 I496 I497F448-I493 HydrophobicContact CD1-CG2 4.24Å; F448-I493 HydrophobicContact CE1-CG2 4.42Å; L449-I493 HydrophobicContact CD1-CB 4.5Å; L449-I493 HydrophobicContact CD1-CG2 4.4Å; L449-I493 HydrophobicContact CD2-CB 3.94Å; L449-I493 HydrophobicContact CD2-CD1 3.76Å; L449-I493 HydrophobicContact CD2-CG1 4.44Å; L449-I493 HydrophobicContact CD2-CG2 3.84Å; L449-I493 HydrophobicContact CG-CG2 4.13Å; T489-I493 WeakPolarHBondContact O-CB 3.28Å; T489-I493 WeakPolarHBondContact O-CG1 3.31Å; T489-I493 PolarHBondContact O-N 3.31Å; I493-I496 PolarHBondContact O-N 3.49Å; I493-I497 HydrophobicContact CG2-CD1 3.72Å; I493-I497 HydrophobicContact CG2-CG1 4.43Å; I493-I497 WeakPolarHBondContact O-CG1 2.82Å; I493-I497 PolarHBondContact O-N 2.96Å
494R85.5Confident84.7Confident67 Ų6769.1 Ų69.125%0.25335%0.35SS..Hα-helixtrans-62-44.5177.3-172.9179.767.9-120-2.5111.9E446 L449 R490 I491 F492 I496 I497 T498E446-R494 VanDerWaalsContact OE1-CD 3.28Å; E446-R494 WeakPolarHBondContact OE1-CD 3.13Å; E446-R494 IonicContact OE1-NH1 3.78Å; E446-R494 PolarHBondContact OE1-NH1 3.32Å; L449-R494 HydrophobicContact CD1-CB 4.27Å; R490-R494 VanDerWaalsContact O-CB 3.3Å; R490-R494 WeakPolarHBondContact O-CB 3.31Å; R490-R494 PolarHBondContact O-N 2.64Å; I491-R494 PolarHBondContact O-N 3.14Å; F492-R494 VanDerWaalsContact C-N 3.34Å; F492-R494 PolarHBondContact O-N 3.4Å; R494-I496 VanDerWaalsContact C-N 3.34Å; R494-I496 PolarHBondContact O-N 2.88Å; R494-I497 PolarHBondContact O-N 2.94Å; R494-T498 HydrophobicContact CG-CG2 4.32Å; R494-T498 WeakPolarHBondContact O-CB 3.31Å; R494-T498 WeakPolarHBondContact O-CG2 3.32Å; R494-T498 PolarHBondContact O-N 3.18Å; R494-T498 PolarHBondContact O-OG1 3.29Å
495I86.7Confident84.5Confident82 Ų8266.5 Ų66.542%0.42134%0.339SS..Hα-helixtrans-61.8-42.8177.4-70.1171000110.8I491 F492 T498 L499I491-I495 HydrophobicContact CG2-CD1 3.62Å; I491-I495 HydrophobicContact CG2-CG1 4.34Å; I491-I495 VanDerWaalsContact O-CG1 3.31Å; I491-I495 WeakPolarHBondContact O-CG1 3.33Å; I491-I495 PolarHBondContact O-N 2.53Å; F492-I495 PolarHBondContact O-N 3.17Å; I495-T498 WeakPolarHBondContact CA-OG1 3.49Å; I495-T498 PolarHBondContact O-N 3.02Å; I495-T498 PolarHBondContact O-OG1 2.93Å; I495-L499 HydrophobicContact CG2-CD1 3.62Å; I495-L499 HydrophobicContact CG2-CG 4.21Å; I495-L499 WeakPolarHBondContact O-CB 3.33Å; I495-L499 VanDerWaalsContact O-CG 3.27Å; I495-L499 WeakPolarHBondContact O-CG 3.35Å; I495-L499 PolarHBondContact O-N 3.31Å
496I88.2Confident84.7Confident76 Ų7667 Ų6739%0.3933%0.332SS..Hα-helixtrans-63.4-49.4178.1-70.8174000111.5F492 I493 R494 T498 T500F492-I496 HydrophobicContact CD1-CD1 3.75Å; F492-I496 HydrophobicContact CE1-CD1 3.25Å; F492-I496 HydrophobicContact CE1-CG1 4.47Å; F492-I496 HydrophobicContact CE2-CD1 4.1Å; F492-I496 HydrophobicContact CG-CD1 4.36Å; F492-I496 HydrophobicContact CZ-CD1 3.47Å; F492-I496 VanDerWaalsContact CZ-CD1 3.47Å; F492-I496 HydrophobicContact CZ-CG1 4.47Å; F492-I496 WeakPolarHBondContact O-CG1 3.5Å; F492-I496 PolarHBondContact O-N 3.37Å; I493-I496 PolarHBondContact O-N 3.49Å; R494-I496 VanDerWaalsContact C-N 3.34Å; R494-I496 PolarHBondContact O-N 2.88Å; I496-T498 VanDerWaalsContact C-N 3.32Å; I496-T498 PolarHBondContact O-N 3.42Å; I496-T500 VanDerWaalsContact O-CB 3.29Å; I496-T500 WeakPolarHBondContact O-CB 3.01Å; I496-T500 PolarHBondContact O-N 3.5Å; I496-T500 PolarHBondContact O-OG1 3.02Å
497I87.2Confident85Confident21 Ų2166.5 Ų66.511%0.10833%0.329CS..Hα-helixtrans-61.7-43.2-178.8-68.5171.4000110.3G441 F448 I493 R494 T500 A501 F507G441-I497 WeakPolarHBondContact O-CG2 3.28Å; F448-I497 HydrophobicContact CD1-CD1 4.29Å; I493-I497 HydrophobicContact CG2-CD1 3.72Å; I493-I497 HydrophobicContact CG2-CG1 4.43Å; I493-I497 WeakPolarHBondContact O-CG1 2.82Å; I493-I497 PolarHBondContact O-N 2.96Å; R494-I497 PolarHBondContact O-N 2.94Å; I497-T500 PolarHBondContact O-N 3.43Å; I497-A501 VanDerWaalsContact O-CB 3.29Å; I497-A501 WeakPolarHBondContact O-CB 3.26Å; I497-A501 PolarHBondContact O-N 3.29Å; I497-F507 HydrophobicContact CG2-CE1 4.21Å; I497-F507 HydrophobicContact CG2-CZ 4.38Å
498T87.2Confident85.2Confident19 Ų1959.5 Ų59.512%0.11730%0.303CS..Hα-helixtrans-66.4-48.1-179.751.20000112.8G441 I442 R494 I495 I496 T500 A501 M502G441-T498 VanDerWaalsContact C-CG2 3.49Å; I442-T498 HydrophobicContact CB-CG2 4.23Å; I442-T498 HydrophobicContact CG1-CG2 3.44Å; I442-T498 VanDerWaalsContact CG1-CG2 3.44Å; I442-T498 VanDerWaalsContact N-CG2 3.35Å; R494-T498 HydrophobicContact CG-CG2 4.32Å; R494-T498 WeakPolarHBondContact O-CB 3.31Å; R494-T498 WeakPolarHBondContact O-CG2 3.32Å; R494-T498 PolarHBondContact O-N 3.18Å; R494-T498 PolarHBondContact O-OG1 3.29Å; I495-T498 WeakPolarHBondContact CA-OG1 3.49Å; I495-T498 PolarHBondContact O-N 3.02Å; I495-T498 PolarHBondContact O-OG1 2.93Å; I496-T498 VanDerWaalsContact C-N 3.32Å; I496-T498 PolarHBondContact O-N 3.42Å; T498-T500 VanDerWaalsContact C-N 3.31Å; T498-T500 PolarHBondContact O-N 3.24Å; T498-A501 PolarHBondContact O-N 3.28Å; T498-M502 WeakPolarHBondContact O-CB 3.42Å; T498-M502 PolarHBondContact O-N 3.13Å
499L85.7Confident85.4Confident93 Ų9354.6 Ų54.649%0.48728%0.278SS..Hα-helixtrans-62.4-40.3176.4-70.8174.7000111.4I495 M502 V503I495-L499 HydrophobicContact CG2-CD1 3.62Å; I495-L499 HydrophobicContact CG2-CG 4.21Å; I495-L499 WeakPolarHBondContact O-CB 3.33Å; I495-L499 VanDerWaalsContact O-CG 3.27Å; I495-L499 WeakPolarHBondContact O-CG 3.35Å; I495-L499 PolarHBondContact O-N 3.31Å; L499-M502 HydrophobicContact CD2-CE 4.1Å; L499-M502 PolarHBondContact O-N 2.88Å; L499-V503 WeakPolarHBondContact O-CG2 3.42Å; L499-V503 PolarHBondContact O-N 3.34Å
500T87.4Confident85.8Confident50 Ų5052.6 Ų52.631%0.30727%0.265SS..Hα-helixtrans-68-39.7178.8-500000111.7I496 I497 T498 M502 V503 S504 F507I496-T500 VanDerWaalsContact O-CB 3.29Å; I496-T500 WeakPolarHBondContact O-CB 3.01Å; I496-T500 PolarHBondContact O-N 3.5Å; I496-T500 PolarHBondContact O-OG1 3.02Å; I497-T500 PolarHBondContact O-N 3.43Å; T498-T500 VanDerWaalsContact C-N 3.31Å; T498-T500 PolarHBondContact O-N 3.24Å; T500-M502 VanDerWaalsContact C-N 3.29Å; T500-M502 PolarHBondContact O-N 3.43Å; T500-V503 PolarHBondContact O-N 3.03Å; T500-S504 WeakPolarHBondContact O-CB 3.31Å; T500-S504 PolarHBondContact O-N 3.04Å; T500-F507 HydrophobicContact CG2-CB 3.77Å; T500-F507 HydrophobicContact CG2-CD1 3.65Å; T500-F507 HydrophobicContact CG2-CD2 3.86Å; T500-F507 HydrophobicContact CG2-CE1 4.11Å; T500-F507 HydrophobicContact CG2-CE2 4.33Å; T500-F507 HydrophobicContact CG2-CG 3.49Å; T500-F507 VanDerWaalsContact CG2-CG 3.49Å; T500-F507 HydrophobicContact CG2-CZ 4.44Å
501A85.6Confident85.9Confident0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-62.7-36.5172.800000112.1I497 T498 F507 R508 L511I497-A501 VanDerWaalsContact O-CB 3.29Å; I497-A501 WeakPolarHBondContact O-CB 3.26Å; I497-A501 PolarHBondContact O-N 3.29Å; T498-A501 PolarHBondContact O-N 3.28Å; A501-F507 HydrophobicContact CB-CD1 4.2Å; A501-F507 HydrophobicContact CB-CE1 4.34Å; A501-R508 WeakPolarHBondContact O-CG 3.25Å; A501-R508 PolarHBondContact O-NE 2.91Å; A501-L511 HydrophobicContact CB-CD1 3.6Å
502M82.3Confident86Confident57 Ų5749.3 Ų49.328%0.28125%0.251SS..Hα-helixtrans-72-32.9176.7-169.7-176.670.100112.6M434 T498 L499 T500 R508M434-M502 HydrophobicContact CB-CG 4.21Å; M434-M502 HydrophobicContact CG-CG 4.31Å; M434-M502 HydrophobicContact SD-CG 3.52Å; M434-M502 VanDerWaalsContact SD-CG 3.52Å; T498-M502 WeakPolarHBondContact O-CB 3.42Å; T498-M502 PolarHBondContact O-N 3.13Å; L499-M502 HydrophobicContact CD2-CE 4.1Å; L499-M502 PolarHBondContact O-N 2.88Å; T500-M502 VanDerWaalsContact C-N 3.29Å; T500-M502 PolarHBondContact O-N 3.43Å; M502-R508 PolarHBondContact O-NH2 3.12Å
503V80.9Confident86.2Confident108 Ų10843 Ų4366%0.65522%0.223SC*.Hα-helixtrans-97.4-46.3-174176.90000113.1L499 T500L499-V503 WeakPolarHBondContact O-CG2 3.42Å; L499-V503 PolarHBondContact O-N 3.34Å; T500-V503 PolarHBondContact O-N 3.03Å
504S85.7Confident86.3Confident44 Ų4441 Ų4131%0.30821%0.213SC..  trans-95.9116.8-165.7177.10000113.2T500 R506 F507 R508T500-S504 WeakPolarHBondContact O-CB 3.31Å; T500-S504 PolarHBondContact O-N 3.04Å; S504-R506 VanDerWaalsContact C-N 3.31Å; S504-R506 PolarHBondContact O-N 3.47Å; S504-R506 PolarHBondContact OG-N 3.05Å; S504-F507 PolarHBondContact O-N 3.32Å; S504-F507 PolarHBondContact OG-N 3.19Å; S504-R508 WeakPolarHBondContact O-CG 3.45Å; S504-R508 PolarHBondContact O-N 2.93Å
505C79.3Confident86.2Confident45 Ų4542.4 Ų42.430%0.30423%0.225SC..Hα-helixtrans-60.2-39.3173-175.50000112.4A410 F507 R508 C509A410-C505 WeakPolarHBondContact CB-SG 3.28Å; C505-F507 VanDerWaalsContact C-N 3.32Å; C505-F507 PolarHBondContact O-N 2.85Å; C505-R508 PolarHBondContact O-N 3.44Å; C505-C509 PolarHBondContact O-N 3.33Å
506R86.9Confident86.3Confident88 Ų8838.6 Ų38.633%0.33221%0.205SC..Hα-helixtrans-62.2-40.7176.3-177.3178.8173.990.7-3111.2S504 C509 L510 H861 T865S504-R506 VanDerWaalsContact C-N 3.31Å; S504-R506 PolarHBondContact O-N 3.47Å; S504-R506 PolarHBondContact OG-N 3.05Å; R506-C509 PolarHBondContact O-N 3.07Å; R506-L510 WeakPolarHBondContact O-CB 3.41Å; R506-L510 PolarHBondContact O-N 3.29Å; R506-H861 PolarHBondContact NH2-CD2 2.99Å; R506-H861 PolarHBondContact NH2-NE2 2.86Å; R506-T865 PolarHBondContact NH2-OG1 3.46Å; R506-T865 VanDerWaalsContact NH2-OG1 3.1Å
507F87.4Confident86.1Confident45 Ų4535 Ų3520%0.19719%0.187CC..Hα-helixtrans-69.6-39.3178-165.9-106.4000111.7I497 T500 A501 S504 C505 C509 L510 L511I497-F507 HydrophobicContact CG2-CE1 4.21Å; I497-F507 HydrophobicContact CG2-CZ 4.38Å; T500-F507 HydrophobicContact CG2-CB 3.77Å; T500-F507 HydrophobicContact CG2-CD1 3.65Å; T500-F507 HydrophobicContact CG2-CD2 3.86Å; T500-F507 HydrophobicContact CG2-CE1 4.11Å; T500-F507 HydrophobicContact CG2-CE2 4.33Å; T500-F507 HydrophobicContact CG2-CG 3.49Å; T500-F507 VanDerWaalsContact CG2-CG 3.49Å; T500-F507 HydrophobicContact CG2-CZ 4.44Å; A501-F507 HydrophobicContact CB-CD1 4.2Å; A501-F507 HydrophobicContact CB-CE1 4.34Å; S504-F507 PolarHBondContact O-N 3.32Å; S504-F507 PolarHBondContact OG-N 3.19Å; C505-F507 VanDerWaalsContact C-N 3.32Å; C505-F507 PolarHBondContact O-N 2.85Å; F507-C509 VanDerWaalsContact C-N 3.31Å; F507-C509 PolarHBondContact O-N 3.43Å; F507-L510 HydrophobicContact CD2-CD2 4.23Å; F507-L510 HydrophobicContact CE2-CD2 4.14Å; F507-L510 WeakPolarHBondContact O-CB 3.38Å; F507-L510 PolarHBondContact O-N 2.89Å; F507-L510 VanDerWaalsContact O-N 3.14Å; F507-L511 HydrophobicContact CD1-CD1 3.68Å; F507-L511 HydrophobicContact CD1-CD2 4.37Å; F507-L511 HydrophobicContact CD1-CG 3.88Å; F507-L511 HydrophobicContact CE1-CD1 3.61Å; F507-L511 HydrophobicContact CE1-CD2 3.76Å; F507-L511 HydrophobicContact CE1-CG 3.76Å; F507-L511 HydrophobicContact CZ-CD2 3.92Å; F507-L511 HydrophobicContact CZ-CG 4.29Å; F507-L511 VanDerWaalsContact O-CG 3.32Å; F507-L511 WeakPolarHBondContact O-CG 3.45Å; F507-L511 PolarHBondContact O-N 3.16Å
508R87.4Confident85.8Confident20 Ų2035.3 Ų35.38%0.07519%0.188CC..Hα-helixtrans-57.2-44.3171.7-65.3172.3-163.1145.60.7112.3F437 A501 M502 S504 C505 L511 L512 F1060F437-R508 HydrophobicContact CD1-CB 4.24Å; F437-R508 HydrophobicContact CD1-CG 3.76Å; F437-R508 HydrophobicContact CD2-CG 4.23Å; F437-R508 HydrophobicContact CE1-CB 3.74Å; F437-R508 HydrophobicContact CE1-CG 3.75Å; F437-R508 HydrophobicContact CE2-CB 4.49Å; F437-R508 HydrophobicContact CE2-CG 4.17Å; F437-R508 HydrophobicContact CG-CG 4.02Å; F437-R508 HydrophobicContact CZ-CB 3.88Å; F437-R508 HydrophobicContact CZ-CG 3.96Å; A501-R508 WeakPolarHBondContact O-CG 3.25Å; A501-R508 PolarHBondContact O-NE 2.91Å; M502-R508 PolarHBondContact O-NH2 3.12Å; S504-R508 WeakPolarHBondContact O-CG 3.45Å; S504-R508 PolarHBondContact O-N 2.93Å; C505-R508 PolarHBondContact O-N 3.44Å; R508-L511 PolarHBondContact O-N 2.85Å; R508-L512 WeakPolarHBondContact O-CG 3.28Å; R508-L512 PolarHBondContact O-N 3.43Å; R508-F1060 HydrophobicContact CB-CE1 4.46Å
509C87.9Confident85.7Confident1 Ų134.4 Ų34.41%0.00718%0.183CC..Hα-helixtrans-61.3-44.9174.9-175.10000111.5C505 R506 F507 L512 L513 F1060C505-C509 PolarHBondContact O-N 3.33Å; R506-C509 PolarHBondContact O-N 3.07Å; F507-C509 VanDerWaalsContact C-N 3.31Å; F507-C509 PolarHBondContact O-N 3.43Å; C509-L512 PolarHBondContact O-N 3.37Å; C509-L513 WeakPolarHBondContact O-CB 3.15Å; C509-L513 WeakPolarHBondContact O-CG 3.3Å; C509-L513 PolarHBondContact O-N 3.44Å; C509-F1060 HydrophobicContact CB-CB 4.42Å; C509-F1060 HydrophobicContact CB-CD1 3.79Å; C509-F1060 HydrophobicContact CB-CD2 4.09Å; C509-F1060 HydrophobicContact CB-CE1 4.04Å; C509-F1060 HydrophobicContact CB-CE2 4.34Å; C509-F1060 HydrophobicContact CB-CG 3.83Å; C509-F1060 HydrophobicContact CB-CZ 4.31Å
510L90Very high85.7Confident16 Ų1631.5 Ų31.58%0.08417%0.167CC..Hα-helixtrans-60-46.5175.7-179.7137.5000112.2R506 F507 L512 L513 I514 F857 H861 I864R506-L510 WeakPolarHBondContact O-CB 3.41Å; R506-L510 PolarHBondContact O-N 3.29Å; F507-L510 HydrophobicContact CD2-CD2 4.23Å; F507-L510 HydrophobicContact CE2-CD2 4.14Å; F507-L510 WeakPolarHBondContact O-CB 3.38Å; F507-L510 PolarHBondContact O-N 2.89Å; F507-L510 VanDerWaalsContact O-N 3.14Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 2.82Å; L510-L513 CarbonylContact O-C 3.26Å; L510-L513 PolarHBondContact O-N 2.97Å; L510-L513 VanDerWaalsContact O-N 3.07Å; L510-I514 HydrophobicContact CD2-CD1 4.4Å; L510-I514 WeakPolarHBondContact O-CG1 3.43Å; L510-I514 PolarHBondContact O-N 3.44Å; L510-I514 VanDerWaalsContact O-N 3.12Å; L510-F857 HydrophobicContact CD2-CD1 4.04Å; L510-F857 HydrophobicContact CD2-CE1 4.48Å; L510-H861 HydrophobicContact CD1-CB 3.88Å; L510-I864 HydrophobicContact CB-CD1 3.8Å; L510-I864 HydrophobicContact CD1-CD1 4.24Å; L510-I864 HydrophobicContact CG-CD1 4.36Å
511L87Confident85.6Confident0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-59.3-44.3178.2-69.4176.2000111.9F440 I444 A501 F507 R508 L513 I514F440-L511 HydrophobicContact CD1-CB 4.43Å; F440-L511 HydrophobicContact CD1-CD1 4.38Å; F440-L511 HydrophobicContact CE1-CB 3.77Å; I444-L511 HydrophobicContact CB-CD2 4.34Å; I444-L511 HydrophobicContact CD1-CB 3.79Å; I444-L511 HydrophobicContact CD1-CD1 4.45Å; I444-L511 HydrophobicContact CD1-CD2 3.7Å; I444-L511 HydrophobicContact CD1-CG 4.18Å; I444-L511 HydrophobicContact CG2-CD2 3.8Å; A501-L511 HydrophobicContact CB-CD1 3.6Å; F507-L511 HydrophobicContact CD1-CD1 3.68Å; F507-L511 HydrophobicContact CD1-CD2 4.37Å; F507-L511 HydrophobicContact CD1-CG 3.88Å; F507-L511 HydrophobicContact CE1-CD1 3.61Å; F507-L511 HydrophobicContact CE1-CD2 3.76Å; F507-L511 HydrophobicContact CE1-CG 3.76Å; F507-L511 HydrophobicContact CZ-CD2 3.92Å; F507-L511 HydrophobicContact CZ-CG 4.29Å; F507-L511 VanDerWaalsContact O-CG 3.32Å; F507-L511 WeakPolarHBondContact O-CG 3.45Å; F507-L511 PolarHBondContact O-N 3.16Å; R508-L511 PolarHBondContact O-N 2.85Å; L511-L513 VanDerWaalsContact C-N 3.28Å; L511-L513 PolarHBondContact O-N 3.26Å; L511-I514 HydrophobicContact CD2-CD1 4.01Å; L511-I514 WeakPolarHBondContact O-CB 3.37Å; L511-I514 PolarHBondContact O-N 3.48Å
512L87.5Confident85.6Confident17 Ų1734.8 Ų34.89%0.08919%0.186CC..Hα-helixtrans-67.3-28176.2-70.7170.1000112.8I408 F437 F440 R508 C509 L510 P516 L1056 F1060I408-L512 HydrophobicContact CB-CD1 4.44Å; I408-L512 HydrophobicContact CG2-CD1 3.95Å; F437-L512 HydrophobicContact CZ-CD1 4.42Å; F440-L512 HydrophobicContact CE1-CD2 4.04Å; F440-L512 HydrophobicContact CE1-CG 4.37Å; F440-L512 HydrophobicContact CZ-CD2 4.06Å; R508-L512 WeakPolarHBondContact O-CG 3.28Å; R508-L512 PolarHBondContact O-N 3.43Å; C509-L512 PolarHBondContact O-N 3.37Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 2.82Å; L512-P516 WeakPolarHBondContact O-CD 3.5Å; L512-L1056 HydrophobicContact CB-CD1 4.32Å; L512-F1060 HydrophobicContact CD1-CE2 3.62Å; L512-F1060 HydrophobicContact CD1-CZ 3.62Å
513L90.4Very high85.7Confident1 Ų132.1 Ų32.11%0.00517%0.172CC..Hα-helixtrans-79.9-13.1176-78.6169.5000114.2C509 L510 L511 P516 S517 A860 I864 R1053 L1056 L1057C509-L513 WeakPolarHBondContact O-CB 3.15Å; C509-L513 WeakPolarHBondContact O-CG 3.3Å; C509-L513 PolarHBondContact O-N 3.44Å; L510-L513 CarbonylContact O-C 3.26Å; L510-L513 PolarHBondContact O-N 2.97Å; L510-L513 VanDerWaalsContact O-N 3.07Å; L511-L513 VanDerWaalsContact C-N 3.28Å; L511-L513 PolarHBondContact O-N 3.26Å; L513-P516 HydrophobicContact CD2-CG 4.27Å; L513-P516 WeakPolarHBondContact O-CD 3.46Å; L513-P516 WeakPolarHBondContact O-CG 3.5Å; L513-S517 VanDerWaalsContact O-CB 3.31Å; L513-S517 WeakPolarHBondContact O-CB 3.46Å; L513-S517 PolarHBondContact O-N 2.69Å; L513-S517 PolarHBondContact O-OG 3.04Å; L513-A860 HydrophobicContact CB-CB 4.39Å; L513-I864 HydrophobicContact CD1-CD1 3.75Å; L513-I864 HydrophobicContact CD1-CG1 3.35Å; L513-R1053 HydrophobicContact CD2-CB 3.82Å; L513-R1053 HydrophobicContact CD2-CG 3.94Å; L513-L1056 HydrophobicContact CD2-CB 4.4Å; L513-L1056 HydrophobicContact CD2-CD1 4.2Å; L513-L1057 HydrophobicContact CD1-CD1 4.43Å; L513-L1057 HydrophobicContact CD1-CD2 3.81Å; L513-L1057 HydrophobicContact CD1-CG 4.08Å
514I86.1Confident86.1Confident11 Ų1127.5 Ų27.56%0.05614%0.144CC..Hα-helixtrans-64.5-44.7172.8-65.5163.3000109.9L510 L511 S517 L518 F857L510-I514 HydrophobicContact CD2-CD1 4.4Å; L510-I514 WeakPolarHBondContact O-CG1 3.43Å; L510-I514 PolarHBondContact O-N 3.44Å; L510-I514 VanDerWaalsContact O-N 3.12Å; L511-I514 HydrophobicContact CD2-CD1 4.01Å; L511-I514 WeakPolarHBondContact O-CB 3.37Å; L511-I514 PolarHBondContact O-N 3.48Å; I514-S517 CarbonylContact O-C 3.6Å; I514-S517 WeakPolarHBondContact O-CA 3.5Å; I514-S517 WeakPolarHBondContact O-CB 3.47Å; I514-S517 PolarHBondContact O-N 3.46Å; I514-L518 PolarHBondContact O-N 3Å; I514-F857 HydrophobicContact CD1-CD1 3.74Å; I514-F857 HydrophobicContact CD1-CE1 3.19Å; I514-F857 HydrophobicContact CD1-CE2 4.21Å; I514-F857 HydrophobicContact CD1-CG 4.46Å; I514-F857 HydrophobicContact CD1-CZ 3.46Å; I514-F857 VanDerWaalsContact CD1-CZ 3.46Å; I514-F857 HydrophobicContact CG1-CD1 4.3Å; I514-F857 HydrophobicContact CG1-CE1 4.18Å; I514-F857 HydrophobicContact CG1-CZ 4.42Å
515I83.9Confident86.3Confident97 Ų9728 Ų2850%0.49715%0.147SC..Hα-helixtrans-52.2-54.8-178.8-59.8172000111.2F440 S517 L518F440-I515 HydrophobicContact CZ-CD1 4.26Å; I515-S517 VanDerWaalsContact C-N 3.26Å; I515-S517 PolarHBondContact O-N 2.93Å; I515-L518 WeakPolarHBondContact O-CB 3.46Å; I515-L518 PolarHBondContact O-N 3.17Å
516P87.6Confident86.6Confident1 Ų126.3 Ų26.31%0.00614%0.135CC..Hα-helixtrans-73.9-16.6177.230.3-37.6000114.6L512 L513 L518 I1049 L1052 R1053 L1056L512-P516 WeakPolarHBondContact O-CD 3.5Å; L513-P516 HydrophobicContact CD2-CG 4.27Å; L513-P516 WeakPolarHBondContact O-CD 3.46Å; L513-P516 WeakPolarHBondContact O-CG 3.5Å; P516-L518 VanDerWaalsContact C-N 3.31Å; P516-I1049 HydrophobicContact CB-CG2 3.53Å; P516-I1049 VanDerWaalsContact CB-O 3.22Å; P516-I1049 WeakPolarHBondContact CB-O 3.4Å; P516-L1052 HydrophobicContact CB-CD2 4.38Å; P516-L1052 HydrophobicContact CG-CD2 4.28Å; P516-R1053 HydrophobicContact CB-CG 3.6Å; P516-R1053 HydrophobicContact CG-CG 3.6Å; P516-L1056 HydrophobicContact CG-CD1 4.41Å
517S84.2Confident86.7Confident2 Ų222.7 Ų22.71%0.01412%0.122CC..Hα-helixtrans-75.1-21.6172.8-59.90000112.6L513 I514 I515 A519 Q520L513-S517 VanDerWaalsContact O-CB 3.31Å; L513-S517 WeakPolarHBondContact O-CB 3.46Å; L513-S517 PolarHBondContact O-N 2.69Å; L513-S517 PolarHBondContact O-OG 3.04Å; I514-S517 CarbonylContact O-C 3.6Å; I514-S517 WeakPolarHBondContact O-CA 3.5Å; I514-S517 WeakPolarHBondContact O-CB 3.47Å; I514-S517 PolarHBondContact O-N 3.46Å; I515-S517 VanDerWaalsContact C-N 3.26Å; I515-S517 PolarHBondContact O-N 2.93Å; S517-A519 VanDerWaalsContact C-N 3.26Å; S517-A519 PolarHBondContact O-N 2.93Å; S517-Q520 VanDerWaalsContact O-CB 3.29Å; S517-Q520 WeakPolarHBondContact O-CB 3.38Å; S517-Q520 WeakPolarHBondContact O-CG 3.31Å; S517-Q520 PolarHBondContact O-N 2.79Å; S517-Q520 VanDerWaalsContact O-N 3.16Å; S517-Q520 PolarHBondContact OG-NE2 3.24Å
518L81.5Confident86.9Confident26 Ų2621 Ų2114%0.13612%0.117CC..Hα-helixtrans-64.3-29.5172.8-68.7172.5000112.9I514 I515 P516 Q520 G523 L524I514-L518 PolarHBondContact O-N 3Å; I515-L518 WeakPolarHBondContact O-CB 3.46Å; I515-L518 PolarHBondContact O-N 3.17Å; P516-L518 VanDerWaalsContact C-N 3.31Å; L518-Q520 PolarHBondContact O-N 3.26Å; L518-G523 CarbonylContact O-C 3.53Å; L518-G523 WeakPolarHBondContact O-CA 3.36Å; L518-L524 PolarHBondContact O-N 3.48Å
519A85.4Confident87.1Confident1 Ų120.4 Ų20.41%0.00812%0.115CC..THydrogen-bonded Turntrans-76-2176.500000113.9S517 I1049S517-A519 VanDerWaalsContact C-N 3.26Å; S517-A519 PolarHBondContact O-N 2.93Å; A519-I1049 HydrophobicContact CB-CB 4.03Å; A519-I1049 HydrophobicContact CB-CD1 4.23Å; A519-I1049 HydrophobicContact CB-CG2 3.6Å
520Q85.1Confident87.2Confident31 Ų3121.2 Ų21.215%0.14512%0.119CC..SBendtrans-78.6162.9172.3-63.1172.827.100110.7S517 L518 I522 G523 L524 L1050S517-Q520 VanDerWaalsContact O-CB 3.29Å; S517-Q520 WeakPolarHBondContact O-CB 3.38Å; S517-Q520 WeakPolarHBondContact O-CG 3.31Å; S517-Q520 PolarHBondContact O-N 2.79Å; S517-Q520 VanDerWaalsContact O-N 3.16Å; S517-Q520 PolarHBondContact OG-NE2 3.24Å; L518-Q520 PolarHBondContact O-N 3.26Å; Q520-I522 PolarHBondContact O-N 3.37Å; Q520-G523 PolarHBondContact O-N 3.44Å; Q520-G523 VanDerWaalsContact O-N 3.08Å; Q520-L524 WeakPolarHBondContact O-CB 3.4Å; Q520-L524 VanDerWaalsContact O-CG 3.27Å; Q520-L524 WeakPolarHBondContact O-CG 3.34Å; Q520-L524 PolarHBondContact O-N 3.15Å; Q520-L1050 HydrophobicContact CG-CD2 3.61Å
521T85.6Confident87.3Confident83 Ų8320.7 Ų20.751%0.50912%0.117SC..Hα-helixtrans-53-33176.351.90000113.4S525T521-S525 PolarHBondContact O-N 2.64Å; T521-S525 PolarHBondContact O-OG 2.88Å
522I85.1Confident87.6Confident37 Ų3722.8 Ų22.819%0.1913%0.127CC..Hα-helixtrans-73.5-44.3179.5-61.3166.1000111.3Q520 L524 S525 Y526 I852 V855 V856 K859Q520-I522 PolarHBondContact O-N 3.37Å; I522-L524 VanDerWaalsContact C-N 3.32Å; I522-L524 PolarHBondContact O-N 3.09Å; I522-S525 WeakPolarHBondContact CA-OG 3.4Å; I522-S525 PolarHBondContact O-N 3.18Å; I522-S525 PolarHBondContact O-OG 2.58Å; I522-Y526 PolarHBondContact O-N 2.91Å; I522-I852 HydrophobicContact CG2-CG2 3.73Å; I522-V855 HydrophobicContact CD1-CG1 4.21Å; I522-V855 HydrophobicContact CG2-CB 4.21Å; I522-V855 HydrophobicContact CG2-CG1 4.11Å; I522-V856 HydrophobicContact CG2-CG2 3.9Å; I522-K859 HydrophobicContact CD1-CD 4.23Å; I522-K859 HydrophobicContact CD1-CG 3.85Å
523G85.2Confident87.7Confident0 Ų022.5 Ų22.50%013%0.126CC..Hα-helixtrans-64.1-39.6174.400000112.1L518 Q520 S525 Y526 L527L518-G523 CarbonylContact O-C 3.53Å; L518-G523 WeakPolarHBondContact O-CA 3.36Å; Q520-G523 PolarHBondContact O-N 3.44Å; Q520-G523 VanDerWaalsContact O-N 3.08Å; G523-S525 VanDerWaalsContact C-N 3.34Å; G523-S525 PolarHBondContact O-N 2.95Å; G523-Y526 WeakPolarHBondContact O-CB 3.43Å; G523-Y526 PolarHBondContact O-N 3.23Å; G523-L527 PolarHBondContact O-N 3.08Å
524L89.4Confident87.8Confident11 Ų1122.7 Ų22.76%0.05813%0.127CC..Hα-helixtrans-63.4-37172.4-65.4169.4000111.9L518 Q520 I522 G528 I930 M1039L518-L524 PolarHBondContact O-N 3.48Å; Q520-L524 WeakPolarHBondContact O-CB 3.4Å; Q520-L524 VanDerWaalsContact O-CG 3.27Å; Q520-L524 WeakPolarHBondContact O-CG 3.34Å; Q520-L524 PolarHBondContact O-N 3.15Å; I522-L524 VanDerWaalsContact C-N 3.32Å; I522-L524 PolarHBondContact O-N 3.09Å; L524-G528 PolarHBondContact O-N 2.89Å; L524-I930 HydrophobicContact CD1-CD1 4Å; L524-I930 HydrophobicContact CD2-CD1 3.83Å; L524-I930 HydrophobicContact CG-CD1 4.32Å; L524-M1039 HydrophobicContact CB-CE 3.85Å; L524-M1039 HydrophobicContact CB-SD 4.5Å; L524-M1039 HydrophobicContact CD2-CE 3.68Å; L524-M1039 HydrophobicContact CD2-SD 3.46Å; L524-M1039 WeakPolarHBondContact CD2-SD 3.49Å; L524-M1039 HydrophobicContact CG-CE 4.38Å; L524-M1039 WeakPolarHBondContact O-CE 3.36Å
525S88.9Confident88Confident54 Ų5422.1 Ų22.138%0.37812%0.124SC..Hα-helixtrans-68.1-3517460.10000113.1T521 I522 G523 G528 N529T521-S525 PolarHBondContact O-N 2.64Å; T521-S525 PolarHBondContact O-OG 2.88Å; I522-S525 WeakPolarHBondContact CA-OG 3.4Å; I522-S525 PolarHBondContact O-N 3.18Å; I522-S525 PolarHBondContact O-OG 2.58Å; G523-S525 VanDerWaalsContact C-N 3.34Å; G523-S525 PolarHBondContact O-N 2.95Å; S525-G528 PolarHBondContact O-N 2.71Å; S525-N529 PolarHBondContact O-N 3.2Å
526Y87.2Confident88.4Confident10 Ų1018 Ų184%0.03910%0.103CC..Hα-helixtrans-62.8-49.8173.7166.4-102.2000111F447 T451 I522 G523 G528 N529 E530 R850 C853F447-Y526 HydrophobicContact CZ-CE1 4.16Å; T451-Y526 WeakPolarHBondContact CB-OH 3.41Å; T451-Y526 HydrophobicContact CG2-CE1 4.14Å; T451-Y526 HydrophobicContact CG2-CE2 4.11Å; T451-Y526 VanDerWaalsContact CG2-CZ 3.46Å; T451-Y526 WeakPolarHBondContact CG2-OH 3.37Å; I522-Y526 PolarHBondContact O-N 2.91Å; G523-Y526 WeakPolarHBondContact O-CB 3.43Å; G523-Y526 PolarHBondContact O-N 3.23Å; Y526-G528 VanDerWaalsContact C-N 3.29Å; Y526-G528 PolarHBondContact O-N 3.41Å; Y526-N529 WeakPolarHBondContact O-CB 3.38Å; Y526-N529 PolarHBondContact O-N 2.68Å; Y526-N529 VanDerWaalsContact O-N 3.09Å; Y526-E530 HydrophobicContact CE1-CG 4.22Å; Y526-E530 HydrophobicContact CE2-CG 4.27Å; Y526-E530 WeakPolarHBondContact CE2-OE1 3.22Å; Y526-E530 PolarHBondContact O-N 3Å; Y526-E530 VanDerWaalsContact O-N 3.09Å; Y526-E530 WeakPolarHBondContact OH-CG 3.44Å; Y526-E530 PolarHBondContact OH-OE1 2.93Å; Y526-R850 HydrophobicContact CE2-CB 4.43Å; Y526-R850 HydrophobicContact CE2-CG 4.43Å; Y526-C853 HydrophobicContact CD2-CB 4.02Å; Y526-C853 HydrophobicContact CE2-CB 4.21Å
527L88.8Confident88.3Confident12 Ų1218.5 Ų18.56%0.06311%0.106CC..Hα-helixtrans-66.1-31.2176.7-69.8172.7000112.6G523 N529 E530 L531 F1038 M1039 L1042G523-L527 PolarHBondContact O-N 3.08Å; L527-N529 VanDerWaalsContact C-N 3.33Å; L527-E530 PolarHBondContact O-N 2.86Å; L527-L531 PolarHBondContact O-N 3.1Å; L527-F1038 HydrophobicContact CD1-CD1 4.33Å; L527-F1038 HydrophobicContact CD1-CE1 4.09Å; L527-M1039 HydrophobicContact CB-CE 3.87Å; L527-M1039 HydrophobicContact CB-CG 3.82Å; L527-M1039 HydrophobicContact CB-SD 3.18Å; L527-M1039 WeakPolarHBondContact CB-SD 3.48Å; L527-M1039 HydrophobicContact CD1-CG 4.2Å; L527-M1039 HydrophobicContact CD1-SD 3.31Å; L527-M1039 WeakPolarHBondContact CD1-SD 3.36Å; L527-M1039 HydrophobicContact CG-SD 3.86Å; L527-L1042 HydrophobicContact CD1-CD1 3.69Å
528G91.8Very high88.6Confident10 Ų1018.5 Ų18.510%0.10311%0.106CC..Hα-helixtrans-64.3-36.4170.800000112.6L524 S525 Y526 L531 L532 F933L524-G528 PolarHBondContact O-N 2.89Å; S525-G528 PolarHBondContact O-N 2.71Å; Y526-G528 VanDerWaalsContact C-N 3.29Å; Y526-G528 PolarHBondContact O-N 3.41Å; G528-L531 WeakPolarHBondContact O-CB 3.26Å; G528-L531 PolarHBondContact O-N 3.34Å; G528-L532 PolarHBondContact O-N 3.49Å; G528-F933 WeakPolarHBondContact O-CE1 3.31Å
529N91.5Very high89.1Confident7 Ų717.3 Ų17.34%0.03710%0.1CC..Hα-helixtrans-67.9-36.2172.7-178.160.5000112.5S525 Y526 L527 L531 L532 H533 T846 L849 R850S525-N529 PolarHBondContact O-N 3.2Å; Y526-N529 WeakPolarHBondContact O-CB 3.38Å; Y526-N529 PolarHBondContact O-N 2.68Å; Y526-N529 VanDerWaalsContact O-N 3.09Å; L527-N529 VanDerWaalsContact C-N 3.33Å; N529-L531 VanDerWaalsContact C-N 3.3Å; N529-L531 PolarHBondContact O-N 3.16Å; N529-L532 WeakPolarHBondContact O-CB 3.09Å; N529-L532 PolarHBondContact O-N 2.74Å; N529-H533 WeakPolarHBondContact O-CB 3.47Å; N529-H533 PolarHBondContact O-N 3.18Å; N529-T846 PolarHBondContact ND2-O 2.97Å; N529-T846 WeakPolarHBondContact OD1-CA 3.38Å; N529-L849 HydrophobicContact CB-CB 4.2Å; N529-L849 VanDerWaalsContact CG-CB 3.42Å; N529-L849 VanDerWaalsContact OD1-CB 3.3Å; N529-L849 WeakPolarHBondContact OD1-CB 3.35Å; N529-L849 WeakPolarHBondContact OD1-CD1 3.23Å; N529-R850 VanDerWaalsContact ND2-CG 3.32Å; N529-R850 WeakPolarHBondContact ND2-CG 3.22Å; N529-R850 PolarHBondContact ND2-N 3.16Å
530E88.8Confident89.3Confident18 Ų1818.9 Ų18.98%0.08411%0.109CC..Hα-helixtrans-62-40.6171.2-66.1-56.6153.300111.5Y526 L527 L532 H533 V534 R850 L1035Y526-E530 HydrophobicContact CE1-CG 4.22Å; Y526-E530 HydrophobicContact CE2-CG 4.27Å; Y526-E530 WeakPolarHBondContact CE2-OE1 3.22Å; Y526-E530 PolarHBondContact O-N 3Å; Y526-E530 VanDerWaalsContact O-N 3.09Å; Y526-E530 WeakPolarHBondContact OH-CG 3.44Å; Y526-E530 PolarHBondContact OH-OE1 2.93Å; L527-E530 PolarHBondContact O-N 2.86Å; E530-L532 VanDerWaalsContact C-N 3.33Å; E530-L532 PolarHBondContact O-N 3.21Å; E530-H533 PolarHBondContact O-N 3.46Å; E530-V534 WeakPolarHBondContact O-CG2 3.45Å; E530-V534 PolarHBondContact O-N 3.28Å; E530-R850 WeakPolarHBondContact OE1-CD 3.34Å; E530-R850 IonicContact OE1-CZ 3.79Å; E530-R850 IonicContact OE1-NE 2.7Å; E530-R850 PolarHBondContact OE1-NE 2.87Å; E530-R850 IonicContact OE1-NH2 2.75Å; E530-R850 IonicContact OE2-CZ 3.81Å; E530-R850 IonicContact OE2-NE 2.76Å; E530-R850 PolarHBondContact OE2-NE 2.88Å; E530-R850 IonicContact OE2-NH2 3.19Å; E530-R850 PolarHBondContact OE2-NH2 2.85Å; E530-L1035 HydrophobicContact CB-CD1 4.29Å
531L92.3Very high89.3Confident6 Ų620.5 Ų20.53%0.03112%0.117CC..Hα-helixtrans-59.7-43.7174.5-162.172.5000111.7L527 G528 N529 V534 S535 F933 L937 F1032 L1035 W1036L527-L531 PolarHBondContact O-N 3.1Å; G528-L531 WeakPolarHBondContact O-CB 3.26Å; G528-L531 PolarHBondContact O-N 3.34Å; N529-L531 VanDerWaalsContact C-N 3.3Å; N529-L531 PolarHBondContact O-N 3.16Å; L531-V534 PolarHBondContact O-N 3.4Å; L531-S535 PolarHBondContact O-N 2.89Å; L531-S535 VanDerWaalsContact O-N 3.15Å; L531-S535 PolarHBondContact O-OG 3.21Å; L531-F933 HydrophobicContact CD2-CD1 4.2Å; L531-F933 HydrophobicContact CD2-CE1 4.3Å; L531-L937 HydrophobicContact CB-CD1 4.27Å; L531-L937 HydrophobicContact CD2-CD1 3.94Å; L531-L937 HydrophobicContact CG-CD1 3.9Å; L531-F1032 HydrophobicContact CD1-CD2 3.39Å; L531-F1032 HydrophobicContact CD1-CE2 3.51Å; L531-F1032 HydrophobicContact CD1-CG 3.94Å; L531-F1032 HydrophobicContact CD1-CZ 4.12Å; L531-F1032 WeakPolarHBondContact CD1-O 3.42Å; L531-F1032 HydrophobicContact CD2-CE2 3.97Å; L531-F1032 HydrophobicContact CD2-CZ 4.23Å; L531-F1032 HydrophobicContact CG-CD2 3.78Å; L531-F1032 HydrophobicContact CG-CE2 3.45Å; L531-F1032 VanDerWaalsContact CG-CE2 3.45Å; L531-F1032 HydrophobicContact CG-CZ 4.17Å; L531-L1035 HydrophobicContact CD1-CB 4.13Å; L531-W1036 HydrophobicContact CD1-CB 3.96Å; L531-W1036 HydrophobicContact CD2-CB 4.45Å; L531-W1036 HydrophobicContact CD2-CG 4.45Å
532L93Very high89.5Confident43 Ų4317.4 Ų17.423%0.22510%0.098CC..Hα-helixtrans-62.8-44175.1177.862.9000112.3G528 N529 E530 V534 S535 I536 T846 F933 L937G528-L532 PolarHBondContact O-N 3.49Å; N529-L532 WeakPolarHBondContact O-CB 3.09Å; N529-L532 PolarHBondContact O-N 2.74Å; E530-L532 VanDerWaalsContact C-N 3.33Å; E530-L532 PolarHBondContact O-N 3.21Å; L532-V534 VanDerWaalsContact C-N 3.33Å; L532-V534 PolarHBondContact O-N 2.99Å; L532-S535 WeakPolarHBondContact O-CB 3.41Å; L532-S535 PolarHBondContact O-N 3.27Å; L532-I536 HydrophobicContact CD1-CD1 4.01Å; L532-I536 HydrophobicContact CD1-CG1 4.38Å; L532-I536 HydrophobicContact CG-CD1 3.88Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 3.26Å; L532-T846 HydrophobicContact CB-CG2 4.48Å; L532-T846 HydrophobicContact CD2-CG2 3.9Å; L532-T846 HydrophobicContact CG-CG2 3.88Å; L532-F933 HydrophobicContact CB-CZ 4.33Å; L532-L937 HydrophobicContact CB-CD1 4.46Å; L532-L937 HydrophobicContact CD1-CD2 3.92Å
533H90.7Very high89.6Confident12 Ų1217.2 Ų17.26%0.05610%0.097CC..Hα-helixtrans-60.9-41.6178.8-180-79.4000112N529 E530 I536 T537 T846 Y847N529-H533 WeakPolarHBondContact O-CB 3.47Å; N529-H533 PolarHBondContact O-N 3.18Å; E530-H533 PolarHBondContact O-N 3.46Å; H533-I536 PolarHBondContact O-N 3.06Å; H533-T537 PolarHBondContact O-N 3.14Å; H533-T537 PolarHBondContact O-OG1 2.9Å; H533-T846 HydrophobicContact CB-CG2 4.22Å; H533-T846 PolarHBondContact CD2-OG1 3.47Å; H533-Y847 AromaticContact NE2-CE1 3.56Å; H533-Y847 AromaticContact NE2-CZ 3.65Å; H533-Y847 PolarHBondContact NE2-OH 3.44Å
534V91.1Very high89.6Confident4 Ų418.7 Ų18.72%0.02410%0.103CC..Hα-helixtrans-65.1-39.7176175.90000111.4E530 L531 L532 I536 G538 Y1028 H1031 F1032 L1035E530-V534 WeakPolarHBondContact O-CG2 3.45Å; E530-V534 PolarHBondContact O-N 3.28Å; L531-V534 PolarHBondContact O-N 3.4Å; L532-V534 VanDerWaalsContact C-N 3.33Å; L532-V534 PolarHBondContact O-N 2.99Å; V534-I536 VanDerWaalsContact C-N 3.32Å; V534-I536 PolarHBondContact O-N 3.19Å; V534-G538 PolarHBondContact O-N 2.66Å; V534-Y1028 HydrophobicContact CG1-CD1 4.39Å; V534-H1031 WeakPolarHBondContact CG2-CD2 3.36Å; V534-F1032 HydrophobicContact CG1-CB 4.04Å; V534-L1035 HydrophobicContact CG2-CD1 4.19Å
535S92Very high89.3Confident0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-62.5-38.2173.2-64.70000112.4L531 L532 P539 V540 F1032L531-S535 PolarHBondContact O-N 2.89Å; L531-S535 VanDerWaalsContact O-N 3.15Å; L531-S535 PolarHBondContact O-OG 3.21Å; L532-S535 WeakPolarHBondContact O-CB 3.41Å; L532-S535 PolarHBondContact O-N 3.27Å; S535-P539 WeakPolarHBondContact O-CD 3.32Å; S535-P539 WeakPolarHBondContact O-CG 3.22Å; S535-V540 VanDerWaalsContact O-CG2 3.32Å; S535-V540 WeakPolarHBondContact O-CG2 3.41Å; S535-V540 PolarHBondContact O-N 2.89Å; S535-V540 VanDerWaalsContact O-N 3.08Å; S535-F1032 WeakPolarHBondContact OG-CE2 3.2Å
536I90.5Very high89.3Confident10 Ų1018.4 Ų18.45%0.05110%0.096CC..Iπ-helixtrans-72.1-50.1-179.9-66.4160.9000111.3L532 H533 V534 G538 Q541 V839 S842 L843 T846L532-I536 HydrophobicContact CD1-CD1 4.01Å; L532-I536 HydrophobicContact CD1-CG1 4.38Å; L532-I536 HydrophobicContact CG-CD1 3.88Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 3.26Å; H533-I536 PolarHBondContact O-N 3.06Å; V534-I536 VanDerWaalsContact C-N 3.32Å; V534-I536 PolarHBondContact O-N 3.19Å; I536-G538 VanDerWaalsContact C-N 3.3Å; I536-G538 PolarHBondContact O-N 2.57Å; I536-Q541 WeakPolarHBondContact O-CB 3.5Å; I536-Q541 PolarHBondContact O-N 3.11Å; I536-Q541 VanDerWaalsContact O-N 3.08Å; I536-V839 HydrophobicContact CG2-CG1 4.28Å; I536-S842 WeakPolarHBondContact CG2-OG 3.31Å; I536-L843 HydrophobicContact CB-CD2 4.3Å; I536-L843 HydrophobicContact CG2-CD2 3.52Å; I536-L843 HydrophobicContact CG2-CG 3.83Å; I536-T846 HydrophobicContact CD1-CG2 3.6Å
537T86.8Confident89.1Confident11 Ų1121.2 Ų21.27%0.06711%0.111CC..Iπ-helixtrans-73.4-18.5-176.851.70000114.4H533 L843H533-T537 PolarHBondContact O-N 3.14Å; H533-T537 PolarHBondContact O-OG1 2.9Å; T537-L843 HydrophobicContact CG2-CD2 3.69Å
538G89.7Confident88.6Confident3 Ų325.6 Ų25.63%0.03113%0.127CC..Iπ-helixtrans-96.5-100172.600000111.5V534 I536 V540 Q541 N542V534-G538 PolarHBondContact O-N 2.66Å; I536-G538 VanDerWaalsContact C-N 3.3Å; I536-G538 PolarHBondContact O-N 2.57Å; G538-V540 PolarHBondContact O-N 3.47Å; G538-Q541 PolarHBondContact O-N 3.08Å; G538-N542 PolarHBondContact O-N 2.77Å
539P92.8Very high88.1Confident0 Ų025.8 Ų25.80%013%0.127CC..Iπ-helixtrans-66-33.3-167.727.1-37.5000114.2S535 N542 L543 I940 F941 D944S535-P539 WeakPolarHBondContact O-CD 3.32Å; S535-P539 WeakPolarHBondContact O-CG 3.22Å; P539-N542 PolarHBondContact O-N 3.07Å; P539-L543 WeakPolarHBondContact O-CB 3.32Å; P539-L543 PolarHBondContact O-N 3.41Å; P539-I940 HydrophobicContact CB-CG2 4.26Å; P539-I940 HydrophobicContact CG-CG2 4.16Å; P539-F941 HydrophobicContact CB-CD1 4.04Å; P539-F941 HydrophobicContact CB-CE1 4.3Å; P539-F941 HydrophobicContact CB-CG 4.22Å; P539-F941 HydrophobicContact CG-CD1 3.76Å; P539-F941 HydrophobicContact CG-CD2 3.76Å; P539-F941 HydrophobicContact CG-CE1 3.68Å; P539-F941 HydrophobicContact CG-CE2 3.67Å; P539-F941 HydrophobicContact CG-CG 3.81Å; P539-F941 HydrophobicContact CG-CZ 3.63Å; P539-D944 HydrophobicContact CB-CB 3.64Å
540V89.6Confident87.8Confident34 Ų3426.2 Ų26.221%0.20613%0.131CC..Iπ-helixtrans-67.1-43.7178.1178.70000110.8S535 G538 L543 E544 V839 I940S535-V540 VanDerWaalsContact O-CG2 3.32Å; S535-V540 WeakPolarHBondContact O-CG2 3.41Å; S535-V540 PolarHBondContact O-N 2.89Å; S535-V540 VanDerWaalsContact O-N 3.08Å; G538-V540 PolarHBondContact O-N 3.47Å; V540-L543 PolarHBondContact O-N 3.18Å; V540-E544 PolarHBondContact O-N 2.88Å; V540-V839 HydrophobicContact CG1-CG2 3.76Å; V540-I940 HydrophobicContact CG2-CG2 3.68Å
541Q85.2Confident87.3Confident66 Ų6626.4 Ų26.431%0.30814%0.135SC..Hα-helixtrans-68.4-35.8177.5-170174.8-11.400111.9I536 G538 H545I536-Q541 WeakPolarHBondContact O-CB 3.5Å; I536-Q541 PolarHBondContact O-N 3.11Å; I536-Q541 VanDerWaalsContact O-N 3.08Å; G538-Q541 PolarHBondContact O-N 3.08Å; Q541-H545 PolarHBondContact O-N 3.25Å; Q541-H545 VanDerWaalsContact O-N 3.17Å
542N88.8Confident86.6Confident18 Ų1830.5 Ų30.510%0.09615%0.153CC..Hα-helixtrans-67.2-42.3173.7-168.562.8000111.9G538 P539 E544 H545 N546 D944 S948 K1022 T1024G538-N542 PolarHBondContact O-N 2.77Å; P539-N542 PolarHBondContact O-N 3.07Å; N542-E544 VanDerWaalsContact C-N 3.34Å; N542-E544 PolarHBondContact O-N 2.99Å; N542-H545 WeakPolarHBondContact O-CB 3.48Å; N542-H545 PolarHBondContact O-N 2.77Å; N542-H545 VanDerWaalsContact O-N 3.16Å; N542-N546 PolarHBondContact ND2-ND2 2.9Å; N542-N546 PolarHBondContact O-N 3.21Å; N542-D944 WeakPolarHBondContact CB-OD1 3.43Å; N542-D944 PolarHBondContact ND2-OD1 2.77Å; N542-D944 PolarHBondContact ND2-OD2 3.47Å; N542-S948 PolarHBondContact ND2-OG 2.89Å; N542-K1022 PolarHBondContact ND2-O 3.25Å; N542-K1022 WeakPolarHBondContact OD1-CB 3.45Å; N542-K1022 PolarHBondContact OD1-O 3.49Å; N542-T1024 WeakPolarHBondContact CB-OG1 3.38Å; N542-T1024 PolarHBondContact ND2-N 2.96Å
543L87.6Confident86.1Confident33 Ų3328.7 Ų28.717%0.17314%0.144CC..Hα-helixtrans-59.6-44.1174.9179.767.2000111.4P539 V540 H545 N546 L547 I943 D944 I947P539-L543 WeakPolarHBondContact O-CB 3.32Å; P539-L543 PolarHBondContact O-N 3.41Å; V540-L543 PolarHBondContact O-N 3.18Å; L543-H545 VanDerWaalsContact C-N 3.34Å; L543-H545 PolarHBondContact O-N 3.14Å; L543-N546 PolarHBondContact O-N 3.47Å; L543-L547 HydrophobicContact CD1-CD1 3.93Å; L543-L547 HydrophobicContact CD1-CG 4.02Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 HydrophobicContact CG-CG 4.32Å; L543-L547 VanDerWaalsContact O-CB 3.3Å; L543-L547 WeakPolarHBondContact O-CB 3.31Å; L543-L547 VanDerWaalsContact O-CG 3.25Å; L543-L547 WeakPolarHBondContact O-CG 3.4Å; L543-L547 PolarHBondContact O-N 3.3Å; L543-I943 HydrophobicContact CD1-CG2 4.34Å; L543-I943 HydrophobicContact CD2-CG2 4.35Å; L543-D944 PolarHBondContact N-OD1 3.28Å; L543-I947 HydrophobicContact CD1-CB 3.8Å; L543-I947 HydrophobicContact CD1-CG1 3.65Å; L543-I947 HydrophobicContact CD1-CG2 3.87Å
544E84.5Confident85.6Confident30 Ų3032.2 Ų32.214%0.1416%0.163CC..Hα-helixtrans-56.1-48.4173.3175.5-176.1179.100111.3V540 N542 R548 I835 Y836V540-E544 PolarHBondContact O-N 2.88Å; N542-E544 VanDerWaalsContact C-N 3.34Å; N542-E544 PolarHBondContact O-N 2.99Å; E544-R548 VanDerWaalsContact O-CB 3.23Å; E544-R548 WeakPolarHBondContact O-CB 3.48Å; E544-R548 PolarHBondContact O-N 2.85Å; E544-I835 HydrophobicContact CB-CG2 3.82Å; E544-I835 HydrophobicContact CG-CG2 3.62Å; E544-Y836 WeakPolarHBondContact OE1-CA 3.28Å
545H84.6Confident84.9Confident59 Ų5933.1 Ų33.127%0.27317%0.167SC..Hα-helixtrans-62.2-46.7179.9-179.5-78000112.2Q541 N542 L543 R548 S549 K1022Q541-H545 PolarHBondContact O-N 3.25Å; Q541-H545 VanDerWaalsContact O-N 3.17Å; N542-H545 WeakPolarHBondContact O-CB 3.48Å; N542-H545 PolarHBondContact O-N 2.77Å; N542-H545 VanDerWaalsContact O-N 3.16Å; L543-H545 VanDerWaalsContact C-N 3.34Å; L543-H545 PolarHBondContact O-N 3.14Å; H545-R548 PolarHBondContact O-N 3.13Å; H545-S549 PolarHBondContact CE1-OG 2.8Å; H545-S549 WeakPolarHBondContact O-CB 3.28Å; H545-S549 PolarHBondContact O-N 3.48Å; H545-S549 PolarHBondContact O-OG 3.44Å; H545-K1022 VanDerWaalsContact CE1-CD 3.43Å; H545-K1022 WeakPolarHBondContact CE1-CD 3.27Å; H545-K1022 VanDerWaalsContact CE1-CE 3.46Å; H545-K1022 WeakPolarHBondContact CE1-CE 3.35Å; H545-K1022 WeakPolarHBondContact NE2-CE 3.44Å; H545-K1022 PolarHBondContact NE2-NZ 3.27Å
546N87.6Confident84.5Confident0 Ų034.6 Ų34.60%018%0.178CC..Hα-helixtrans-69.5-41.8-177.6-75.9-13.5000112.2N542 L543 R548 S549 A550 I947 S948 V951 K1022N542-N546 PolarHBondContact ND2-ND2 2.9Å; N542-N546 PolarHBondContact O-N 3.21Å; L543-N546 PolarHBondContact O-N 3.47Å; N546-R548 VanDerWaalsContact C-N 3.3Å; N546-R548 PolarHBondContact O-N 3.44Å; N546-S549 PolarHBondContact O-N 2.64Å; N546-A550 VanDerWaalsContact O-CB 3.27Å; N546-A550 WeakPolarHBondContact O-CB 3.33Å; N546-A550 PolarHBondContact O-N 2.83Å; N546-I947 HydrophobicContact CB-CG2 4.04Å; N546-S948 PolarHBondContact ND2-OG 3.47Å; N546-V951 HydrophobicContact CB-CG2 4.28Å; N546-K1022 PolarHBondContact ND2-O 3.35Å; N546-K1022 PolarHBondContact OD1-N 2.94Å; N546-K1022 VanDerWaalsContact OD1-N 3.07Å; N546-K1022 PolarHBondContact OD1-O 2.86Å
547L83.3Confident84.1Confident70 Ų7036.7 Ų36.737%0.36619%0.186SC..Hα-helixtrans-63.3-38.9175-72.3177.1000111.7L543 S551 I947L543-L547 HydrophobicContact CD1-CD1 3.93Å; L543-L547 HydrophobicContact CD1-CG 4.02Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 HydrophobicContact CG-CG 4.32Å; L543-L547 VanDerWaalsContact O-CB 3.3Å; L543-L547 WeakPolarHBondContact O-CB 3.31Å; L543-L547 VanDerWaalsContact O-CG 3.25Å; L543-L547 WeakPolarHBondContact O-CG 3.4Å; L543-L547 PolarHBondContact O-N 3.3Å; L547-S551 WeakPolarHBondContact O-CB 3.27Å; L547-S551 PolarHBondContact O-N 3.44Å; L547-I947 HydrophobicContact CD2-CD1 4.3Å; L547-I947 HydrophobicContact CD2-CG2 4.1Å; L547-I947 HydrophobicContact CG-CG2 4.4Å
548R79.4Confident83.7Confident103 Ų10337.6 Ų37.639%0.38919%0.192SC..Hα-helixtrans-64.8-47.2174.9178.8175.6173.3-177.5-9.5111.8E544 H545 N546 A550 S551 E552 K832E544-R548 VanDerWaalsContact O-CB 3.23Å; E544-R548 WeakPolarHBondContact O-CB 3.48Å; E544-R548 PolarHBondContact O-N 2.85Å; H545-R548 PolarHBondContact O-N 3.13Å; N546-R548 VanDerWaalsContact C-N 3.3Å; N546-R548 PolarHBondContact O-N 3.44Å; R548-A550 VanDerWaalsContact C-N 3.33Å; R548-A550 PolarHBondContact O-N 2.84Å; R548-S551 PolarHBondContact O-N 3.12Å; R548-S551 PolarHBondContact O-OG 3.25Å; R548-E552 WeakPolarHBondContact CG-OE1 3.34Å; R548-E552 IonicContact CZ-OE1 3.88Å; R548-E552 IonicContact NE-OE1 3.29Å; R548-E552 PolarHBondContact NE-OE1 3.44Å; R548-E552 IonicContact NH2-OE1 3.35Å; R548-E552 PolarHBondContact NH2-OE1 2.99Å; R548-E552 WeakPolarHBondContact O-CG 3.3Å; R548-E552 PolarHBondContact O-N 3.48Å; R548-K832 VanDerWaalsContact CZ-NZ 3.28Å
549S81.2Confident83.1Confident15 Ų1542.4 Ų42.411%0.10521%0.212CC..Hα-helixtrans-68.6-36.3-177.1-47.80000111.6H545 N546 S553 P1019H545-S549 PolarHBondContact CE1-OG 2.8Å; H545-S549 WeakPolarHBondContact O-CB 3.28Å; H545-S549 PolarHBondContact O-N 3.48Å; H545-S549 PolarHBondContact O-OG 3.44Å; N546-S549 PolarHBondContact O-N 2.64Å; S549-S553 WeakPolarHBondContact O-CB 3.47Å; S549-S553 PolarHBondContact O-N 3.12Å; S549-S553 PolarHBondContact O-OG 2.68Å; S549-P1019 WeakPolarHBondContact CB-O 3.18Å
550A83.8Confident82.6Confident16 Ų1643.8 Ų43.813%0.13222%0.219CC..Hα-helixtrans-62.5-41171.800000112.2N546 R548 S553 I554 V951N546-A550 VanDerWaalsContact O-CB 3.27Å; N546-A550 WeakPolarHBondContact O-CB 3.33Å; N546-A550 PolarHBondContact O-N 2.83Å; R548-A550 VanDerWaalsContact C-N 3.33Å; R548-A550 PolarHBondContact O-N 2.84Å; A550-S553 WeakPolarHBondContact O-CB 3.38Å; A550-S553 PolarHBondContact O-N 3.34Å; A550-I554 WeakPolarHBondContact O-CG1 3.2Å; A550-I554 PolarHBondContact O-N 3.32Å; A550-V951 HydrophobicContact CB-CG2 4.02Å
551S78Confident82Confident22 Ų2243.8 Ų43.815%0.15422%0.222CC..Hα-helixtrans-69.6-41.4-179.782.20000112.6L547 R548 S553 I554 I555L547-S551 WeakPolarHBondContact O-CB 3.27Å; L547-S551 PolarHBondContact O-N 3.44Å; R548-S551 PolarHBondContact O-N 3.12Å; R548-S551 PolarHBondContact O-OG 3.25Å; S551-S553 VanDerWaalsContact C-N 3.28Å; S551-S553 PolarHBondContact O-N 2.71Å; S551-I554 PolarHBondContact O-N 3.13Å; S551-I555 WeakPolarHBondContact O-CG1 3.49Å; S551-I555 PolarHBondContact O-N 3.39Å; S551-I555 VanDerWaalsContact O-N 3.16Å
552E78.6Confident81.6Confident91 Ų9143.9 Ų43.943%0.42522%0.221SC..Hα-helixtrans-61.4-37.2172.4-70.5174-174.700111.2R548 I555 C556R548-E552 WeakPolarHBondContact CG-OE1 3.34Å; R548-E552 IonicContact CZ-OE1 3.88Å; R548-E552 IonicContact NE-OE1 3.29Å; R548-E552 PolarHBondContact NE-OE1 3.44Å; R548-E552 IonicContact NH2-OE1 3.35Å; R548-E552 PolarHBondContact NH2-OE1 2.99Å; R548-E552 WeakPolarHBondContact O-CG 3.3Å; R548-E552 PolarHBondContact O-N 3.48Å; E552-I555 PolarHBondContact O-N 2.91Å; E552-C556 PolarHBondContact O-N 3.43Å
553S82.7Confident81Confident5 Ų545.7 Ų45.74%0.03523%0.23CC..Hα-helixtrans-66.4-43.5175.8-590000112.7S549 A550 S551 I555 C556 F557 C1017 P1019S549-S553 WeakPolarHBondContact O-CB 3.47Å; S549-S553 PolarHBondContact O-N 3.12Å; S549-S553 PolarHBondContact O-OG 2.68Å; A550-S553 WeakPolarHBondContact O-CB 3.38Å; A550-S553 PolarHBondContact O-N 3.34Å; S551-S553 VanDerWaalsContact C-N 3.28Å; S551-S553 PolarHBondContact O-N 2.71Å; S553-I555 VanDerWaalsContact C-N 3.3Å; S553-I555 PolarHBondContact O-N 3.01Å; S553-C556 WeakPolarHBondContact O-CB 3.41Å; S553-C556 PolarHBondContact O-N 3.32Å; S553-C556 VanDerWaalsContact O-N 3.16Å; S553-F557 WeakPolarHBondContact O-CD2 3.26Å; S553-F557 PolarHBondContact O-N 3.13Å; S553-C1017 WeakPolarHBondContact CB-O 3.28Å; S553-C1017 PolarHBondContact OG-O 3.42Å; S553-C1017 VanDerWaalsContact OG-O 3.07Å; S553-P1019 WeakPolarHBondContact OG-CA 3.4Å; S553-P1019 VanDerWaalsContact OG-CB 3.22Å; S553-P1019 WeakPolarHBondContact OG-CB 3.47Å; S553-P1019 WeakPolarHBondContact OG-CD 3.47Å; S553-P1019 VanDerWaalsContact OG-N 3.16Å
554I80.2Confident80.5Confident86 Ų8645.6 Ų45.644%0.44123%0.229SC..Hα-helixtrans-59.3-42.9175.8-70.2166.1000110.8A550 S551 C556 F557 V558 I824A550-I554 WeakPolarHBondContact O-CG1 3.2Å; A550-I554 PolarHBondContact O-N 3.32Å; S551-I554 PolarHBondContact O-N 3.13Å; I554-C556 VanDerWaalsContact C-N 3.35Å; I554-F557 PolarHBondContact O-N 2.92Å; I554-V558 WeakPolarHBondContact O-CG2 3.28Å; I554-V558 PolarHBondContact O-N 3.41Å; I554-I824 HydrophobicContact CG2-CG2 4.39Å
555I76.3Confident79.9Confident23 Ų2346.1 Ų46.112%0.11823%0.234CC..Hα-helixtrans-61.8-44.6176.1-68.3162.1000110.9S551 E552 S553 V558 K559 I824 D825 T828S551-I555 WeakPolarHBondContact O-CG1 3.49Å; S551-I555 PolarHBondContact O-N 3.39Å; S551-I555 VanDerWaalsContact O-N 3.16Å; E552-I555 PolarHBondContact O-N 2.91Å; S553-I555 VanDerWaalsContact C-N 3.3Å; S553-I555 PolarHBondContact O-N 3.01Å; I555-V558 PolarHBondContact O-N 3.39Å; I555-K559 HydrophobicContact CG2-CD 4.14Å; I555-K559 WeakPolarHBondContact O-CG 3.1Å; I555-K559 PolarHBondContact O-N 3.03Å; I555-I824 HydrophobicContact CD1-CG2 4.28Å; I555-I824 HydrophobicContact CG1-CG2 3.53Å; I555-D825 VanDerWaalsContact CD1-OD1 3.24Å; I555-D825 WeakPolarHBondContact CD1-OD1 3.39Å; I555-D825 VanDerWaalsContact CG1-OD1 3.32Å; I555-D825 WeakPolarHBondContact CG1-OD1 3.17Å; I555-D825 WeakPolarHBondContact CG2-OD1 3.36Å; I555-T828 HydrophobicContact CD1-CG2 3.96Å; I555-T828 WeakPolarHBondContact CD1-OG1 3.42Å
556C82.9Confident79.4Confident32 Ų3248.9 Ų48.922%0.21624%0.242CC..Hα-helixtrans-60.1-45.2176.8-1750000111.5E552 S553 I554 V558 K559 L560 C1017E552-C556 PolarHBondContact O-N 3.43Å; S553-C556 WeakPolarHBondContact O-CB 3.41Å; S553-C556 PolarHBondContact O-N 3.32Å; S553-C556 VanDerWaalsContact O-N 3.16Å; I554-C556 VanDerWaalsContact C-N 3.35Å; C556-V558 PolarHBondContact O-N 3.49Å; C556-K559 PolarHBondContact O-N 3.3Å; C556-L560 WeakPolarHBondContact O-CB 3.29Å; C556-L560 PolarHBondContact O-N 3.18Å; C556-C1017 HydrophobicContact CB-CB 3.57Å; C556-C1017 WeakPolarHBondContact CB-SG 3.35Å; C556-C1017 WeakPolarHBondContact SG-CA 3.42Å; C556-C1017 WeakPolarHBondContact SG-CB 3.44Å; C556-C1017 CovalentContact SG-SG 2.04Å; C556-C1017 PolarHBondContact SG-SG 2.92Å
557F83Confident78.8Confident53 Ų5351.1 Ų51.123%0.23226%0.255CS..Hα-helixtrans-61.8-40.6177.1-75.2-56000113.1S553 I554 L560 A561 L954 L1014 C1017S553-F557 WeakPolarHBondContact O-CD2 3.26Å; S553-F557 PolarHBondContact O-N 3.13Å; I554-F557 PolarHBondContact O-N 2.92Å; F557-L560 PolarHBondContact O-N 2.65Å; F557-A561 WeakPolarHBondContact O-CB 3.29Å; F557-A561 PolarHBondContact O-N 3.48Å; F557-L954 HydrophobicContact CE2-CD1 3.98Å; F557-L1014 HydrophobicContact CE1-CB 4.25Å; F557-L1014 HydrophobicContact CE1-CD2 3.99Å; F557-L1014 HydrophobicContact CE1-CG 4.15Å; F557-C1017 HydrophobicContact CD1-CB 3.98Å; F557-C1017 HydrophobicContact CD2-CB 4.37Å; F557-C1017 HydrophobicContact CE1-CB 3.7Å; F557-C1017 HydrophobicContact CE2-CB 4.12Å; F557-C1017 HydrophobicContact CG-CB 4.29Å; F557-C1017 HydrophobicContact CZ-CB 3.78Å
558V78.3Confident78.3Confident30 Ų3049.7 Ų49.718%0.18225%0.249CC..Hα-helixtrans-63.5-41.9175.9172.60000111.1I554 I555 C556 Y562 F817 I824I554-V558 WeakPolarHBondContact O-CG2 3.28Å; I554-V558 PolarHBondContact O-N 3.41Å; I555-V558 PolarHBondContact O-N 3.39Å; C556-V558 PolarHBondContact O-N 3.49Å; V558-Y562 PolarHBondContact O-N 3.45Å; V558-Y562 VanDerWaalsContact O-N 3.11Å; V558-F817 HydrophobicContact CG1-CD1 4.1Å; V558-I824 HydrophobicContact CG2-CD1 4.06Å
559K77.6Confident77.8Confident104 Ų10446.4 Ų46.445%0.45224%0.239SC..Hα-helixtrans-67.4-40.5176.3-72.5174.1-178.2168.40112.1I555 C556 Y562 N563I555-K559 HydrophobicContact CG2-CD 4.14Å; I555-K559 WeakPolarHBondContact O-CG 3.1Å; I555-K559 PolarHBondContact O-N 3.03Å; C556-K559 PolarHBondContact O-N 3.3Å; K559-Y562 PolarHBondContact O-N 3.35Å; K559-N563 PolarHBondContact O-N 2.86Å
560L80.9Confident77.4Confident29 Ų2949 Ų4915%0.15225%0.252CS..Hα-helixtrans-63.6-44.8176.6-174.663.7000110.9C556 F557 Y562 N563 M564 Y1012 L1014C556-L560 WeakPolarHBondContact O-CB 3.29Å; C556-L560 PolarHBondContact O-N 3.18Å; F557-L560 PolarHBondContact O-N 2.65Å; L560-Y562 VanDerWaalsContact C-N 3.31Å; L560-Y562 PolarHBondContact O-N 3.48Å; L560-N563 PolarHBondContact O-N 3.5Å; L560-M564 HydrophobicContact CD1-CE 4.23Å; L560-M564 HydrophobicContact CD2-CE 3.88Å; L560-M564 HydrophobicContact CG-CE 3.79Å; L560-M564 HydrophobicContact CG-CG 4.5Å; L560-M564 HydrophobicContact CG-SD 4.27Å; L560-M564 WeakPolarHBondContact O-CB 3.43Å; L560-M564 VanDerWaalsContact O-CG 3.29Å; L560-M564 WeakPolarHBondContact O-CG 3.41Å; L560-M564 PolarHBondContact O-N 3.44Å; L560-Y1012 HydrophobicContact CD1-CD1 3.89Å; L560-L1014 HydrophobicContact CD2-CD1 4.41Å; L560-L1014 HydrophobicContact CD2-CG 4.16Å
561A78.1Confident76.8Confident34 Ų3450.4 Ų50.428%0.28126%0.255SS..Hα-helixtrans-60.2-39.617600000112.4F557 T565 F817F557-A561 WeakPolarHBondContact O-CB 3.29Å; F557-A561 PolarHBondContact O-N 3.48Å; A561-T565 WeakPolarHBondContact O-CB 3.21Å; A561-T565 PolarHBondContact O-N 3.1Å; A561-T565 VanDerWaalsContact O-N 3.08Å; A561-T565 PolarHBondContact O-OG1 3.17Å; A561-F817 HydrophobicContact CB-CE1 4.25Å; A561-F817 HydrophobicContact CB-CZ 4.35Å
562Y75.3Confident76.3Confident69 Ų6953 Ų5327%0.27127%0.267SS..Hα-helixtrans-62.8-48173.4173.6-93.5000112.1V558 K559 L560 T565 R566 T814 F817V558-Y562 PolarHBondContact O-N 3.45Å; V558-Y562 VanDerWaalsContact O-N 3.11Å; K559-Y562 PolarHBondContact O-N 3.35Å; L560-Y562 VanDerWaalsContact C-N 3.31Å; L560-Y562 PolarHBondContact O-N 3.48Å; Y562-T565 WeakPolarHBondContact O-CB 3.35Å; Y562-T565 PolarHBondContact O-N 2.99Å; Y562-R566 WeakPolarHBondContact O-CB 2.96Å; Y562-R566 PolarHBondContact O-N 3.34Å; Y562-T814 HydrophobicContact CD2-CG2 4.46Å; Y562-T814 HydrophobicContact CE2-CG2 3.76Å; Y562-F817 HydrophobicContact CD2-CB 4.05Å; Y562-F817 HydrophobicContact CD2-CD2 4.31Å; Y562-F817 HydrophobicContact CD2-CG 4.35Å
563N77.8Confident75.9Confident56 Ų5653.6 Ų53.630%0.29927%0.269SS..Hα-helixtrans-62.1-46.7178.6-74.9-16.8000111.6K559 L560 T565 R566 D567K559-N563 PolarHBondContact O-N 2.86Å; L560-N563 PolarHBondContact O-N 3.5Å; N563-T565 PolarHBondContact O-N 3.34Å; N563-R566 PolarHBondContact O-N 3.41Å; N563-R566 VanDerWaalsContact O-N 3.15Å; N563-R566 PolarHBondContact OD1-NH1 2.85Å; N563-R566 PolarHBondContact OD1-NH2 3.37Å; N563-D567 WeakPolarHBondContact O-CB 3.28Å; N563-D567 PolarHBondContact O-N 3.4Å
564M75.9Confident75.2Confident30 Ų3058 Ų5815%0.14829%0.288CS..Hα-helixtrans-53-45.7174.9-73.8173.7168.800111.6L560 T568 F962 Y1012 L1014L560-M564 HydrophobicContact CD1-CE 4.23Å; L560-M564 HydrophobicContact CD2-CE 3.88Å; L560-M564 HydrophobicContact CG-CE 3.79Å; L560-M564 HydrophobicContact CG-CG 4.5Å; L560-M564 HydrophobicContact CG-SD 4.27Å; L560-M564 WeakPolarHBondContact O-CB 3.43Å; L560-M564 VanDerWaalsContact O-CG 3.29Å; L560-M564 WeakPolarHBondContact O-CG 3.41Å; L560-M564 PolarHBondContact O-N 3.44Å; M564-T568 WeakPolarHBondContact O-CB 3.37Å; M564-T568 PolarHBondContact O-N 3.4Å; M564-T568 PolarHBondContact O-OG1 2.93Å; M564-F962 HydrophobicContact CE-CB 4.16Å; M564-F962 HydrophobicContact CE-CD1 3.74Å; M564-F962 HydrophobicContact CE-CG 4.31Å; M564-F962 HydrophobicContact SD-CD1 4.16Å; M564-F962 HydrophobicContact SD-CE1 4.46Å; M564-Y1012 HydrophobicContact CB-CE2 4.29Å; M564-Y1012 HydrophobicContact CE-CD1 4.08Å; M564-Y1012 HydrophobicContact CE-CD2 3.63Å; M564-Y1012 HydrophobicContact CE-CE2 4.46Å; M564-Y1012 HydrophobicContact CE-CG 3.39Å; M564-Y1012 HydrophobicContact CG-CD1 3.87Å; M564-Y1012 HydrophobicContact CG-CD2 3.73Å; M564-Y1012 HydrophobicContact CG-CE1 3.78Å; M564-Y1012 HydrophobicContact CG-CE2 3.62Å; M564-Y1012 HydrophobicContact CG-CG 3.85Å; M564-Y1012 HydrophobicContact SD-CD2 4.4Å; M564-Y1012 HydrophobicContact SD-CG 4.48Å; M564-L1014 HydrophobicContact CE-CD1 4.47Å
565T73.1Confident74.4Confident41 Ų4154.1 Ų54.125%0.25227%0.269SS..Hα-helixtrans-66-44.9-180-57.40000111.6A561 Y562 N563 N569 F810A561-T565 WeakPolarHBondContact O-CB 3.21Å; A561-T565 PolarHBondContact O-N 3.1Å; A561-T565 VanDerWaalsContact O-N 3.08Å; A561-T565 PolarHBondContact O-OG1 3.17Å; Y562-T565 WeakPolarHBondContact O-CB 3.35Å; Y562-T565 PolarHBondContact O-N 2.99Å; N563-T565 PolarHBondContact O-N 3.34Å; T565-N569 VanDerWaalsContact O-CG 3.32Å; T565-N569 PolarHBondContact O-N 2.84Å; T565-N569 VanDerWaalsContact O-N 3.13Å; T565-N569 PolarHBondContact O-ND2 3.07Å; T565-F810 HydrophobicContact CG2-CD1 3.82Å; T565-F810 HydrophobicContact CG2-CE1 3.24Å; T565-F810 HydrophobicContact CG2-CZ 4.18Å
566R73.1Confident73.8Confident117 Ų11758.2 Ų58.244%0.44229%0.286SS..Hα-helixtrans-64-47.2178.2-177.4-166.665.7-156.9-7.3111.7Y562 N563 T568 N569 D570Y562-R566 WeakPolarHBondContact O-CB 2.96Å; Y562-R566 PolarHBondContact O-N 3.34Å; N563-R566 PolarHBondContact O-N 3.41Å; N563-R566 VanDerWaalsContact O-N 3.15Å; N563-R566 PolarHBondContact OD1-NH1 2.85Å; N563-R566 PolarHBondContact OD1-NH2 3.37Å; R566-T568 VanDerWaalsContact C-N 3.35Å; R566-N569 CarbonylContact O-C 3.6Å; R566-N569 WeakPolarHBondContact O-CA 3.35Å; R566-N569 WeakPolarHBondContact O-CB 3.41Å; R566-N569 PolarHBondContact O-N 3.37Å; R566-N569 VanDerWaalsContact O-N 3.1Å; R566-D570 PolarHBondContact O-N 3.3Å
567D76Confident72.8Confident48 Ų4862.1 Ų62.126%0.25730%0.301SS..Hα-helixtrans-70.4-35.6-174.8-60.9-7.5000110.6N563 N569 D570 F571 Y1012N563-D567 WeakPolarHBondContact O-CB 3.28Å; N563-D567 PolarHBondContact O-N 3.4Å; D567-N569 VanDerWaalsContact C-N 3.3Å; D567-N569 PolarHBondContact O-N 3.46Å; D567-D570 PolarHBondContact O-N 2.84Å; D567-F571 WeakPolarHBondContact O-CB 3.46Å; D567-F571 PolarHBondContact O-N 3.36Å; D567-Y1012 WeakPolarHBondContact CB-OH 3.26Å; D567-Y1012 PolarHBondContact OD2-OH 2.85Å
568T71.5Confident71.6Confident39 Ų3962.1 Ų62.124%0.23931%0.305CS..Hα-helixtrans-60-41.4169.1-55.10000111.2M564 R566 L572M564-T568 WeakPolarHBondContact O-CB 3.37Å; M564-T568 PolarHBondContact O-N 3.4Å; M564-T568 PolarHBondContact O-OG1 2.93Å; R566-T568 VanDerWaalsContact C-N 3.35Å; T568-L572 HydrophobicContact CG2-CD1 4.34Å; T568-L572 VanDerWaalsContact O-CG 3.27Å; T568-L572 WeakPolarHBondContact O-CG 3.33Å; T568-L572 PolarHBondContact O-N 2.88Å; T568-L572 VanDerWaalsContact O-N 3.1Å
569N69Low70.4Confident34 Ų3462.5 Ų62.518%0.18231%0.305CS..Hα-helixtrans-70.6-45.2177.5-75.9-24.3000113.4T565 R566 D567 F571 L572 E573 F810T565-N569 VanDerWaalsContact O-CG 3.32Å; T565-N569 PolarHBondContact O-N 2.84Å; T565-N569 VanDerWaalsContact O-N 3.13Å; T565-N569 PolarHBondContact O-ND2 3.07Å; R566-N569 CarbonylContact O-C 3.6Å; R566-N569 WeakPolarHBondContact O-CA 3.35Å; R566-N569 WeakPolarHBondContact O-CB 3.41Å; R566-N569 PolarHBondContact O-N 3.37Å; R566-N569 VanDerWaalsContact O-N 3.1Å; D567-N569 VanDerWaalsContact C-N 3.3Å; D567-N569 PolarHBondContact O-N 3.46Å; N569-F571 PolarHBondContact O-N 3.38Å; N569-L572 CarbonylContact O-C 3.53Å; N569-L572 WeakPolarHBondContact O-CB 3.35Å; N569-L572 PolarHBondContact O-N 3.28Å; N569-L572 VanDerWaalsContact O-N 3.08Å; N569-E573 WeakPolarHBondContact O-CG 3.48Å; N569-E573 PolarHBondContact O-N 2.95Å; N569-F810 VanDerWaalsContact CG-CE2 3.44Å; N569-F810 WeakPolarHBondContact ND2-CD1 3.46Å; N569-F810 WeakPolarHBondContact ND2-CD2 3.21Å; N569-F810 WeakPolarHBondContact ND2-CE1 3.33Å; N569-F810 WeakPolarHBondContact ND2-CE2 3.27Å; N569-F810 WeakPolarHBondContact ND2-CG 3.28Å; N569-F810 WeakPolarHBondContact ND2-CZ 3.24Å; N569-F810 WeakPolarHBondContact OD1-CE2 3.02Å; N569-F810 WeakPolarHBondContact OD1-CZ 3.42Å
570D73.1Confident69.2Low71 Ų7162.7 Ų62.738%0.3831%0.306SS..Hα-helixtrans-58.9-40.6177.2-178.660.5000110.3R566 D567 E573 K574R566-D570 PolarHBondContact O-N 3.3Å; D567-D570 PolarHBondContact O-N 2.84Å; D570-E573 PolarHBondContact O-N 3.28Å; D570-K574 WeakPolarHBondContact O-CB 3.37Å; D570-K574 WeakPolarHBondContact O-CG 3.48Å; D570-K574 PolarHBondContact O-N 3.16Å; D570-K574 IonicContact OD1-NZ 3.32Å; D570-K574 VanDerWaalsContact OD2-CE 3.24Å; D570-K574 WeakPolarHBondContact OD2-CE 3.29Å; D570-K574 IonicContact OD2-NZ 3.33Å; D570-K574 PolarHBondContact OD2-NZ 3.47Å
571F71.3Confident67.9Low45 Ų4565.7 Ų65.720%0.19733%0.33CS..Hα-helixtrans-61.7-46.3172.7-170.3-79.3000112.1D567 N569 E573 K574 G575 Y1004 I1008D567-F571 WeakPolarHBondContact O-CB 3.46Å; D567-F571 PolarHBondContact O-N 3.36Å; N569-F571 PolarHBondContact O-N 3.38Å; F571-E573 VanDerWaalsContact C-N 3.29Å; F571-E573 PolarHBondContact O-N 3.34Å; F571-K574 PolarHBondContact O-N 3.5Å; F571-G575 PolarHBondContact O-N 3.31Å; F571-Y1004 HydrophobicContact CD1-CD1 4.48Å; F571-Y1004 HydrophobicContact CD1-CE1 4.02Å; F571-Y1004 AromaticContact CE1-CD1 3.57Å; F571-Y1004 HydrophobicContact CE1-CD1 3.57Å; F571-Y1004 AromaticContact CE1-CE1 3.32Å; F571-Y1004 HydrophobicContact CE1-CE1 3.32Å; F571-Y1004 WeakPolarHBondContact CE1-O 3.47Å; F571-Y1004 HydrophobicContact CE2-CE1 4.22Å; F571-Y1004 AromaticContact CZ-CD1 3.92Å; F571-Y1004 HydrophobicContact CZ-CD1 3.92Å; F571-Y1004 AromaticContact CZ-CE1 3.46Å; F571-Y1004 HydrophobicContact CZ-CE1 3.46Å; F571-Y1004 VanDerWaalsContact CZ-CE1 3.46Å; F571-I1008 HydrophobicContact CD1-CD1 3.67Å; F571-I1008 HydrophobicContact CD1-CG1 3.31Å; F571-I1008 HydrophobicContact CE1-CB 4.34Å; F571-I1008 HydrophobicContact CE1-CD1 3.8Å; F571-I1008 HydrophobicContact CE1-CG1 3.09Å; F571-I1008 HydrophobicContact CE2-CG1 4.35Å; F571-I1008 HydrophobicContact CG-CG1 4.06Å; F571-I1008 HydrophobicContact CZ-CG1 3.66Å
572L68.4Low66.7Low77 Ų7769.8 Ų69.840%0.40334%0.343SS..Hα-helixtrans-63.8-32.5177.1-72.8169.6000112.6T568 N569 K576T568-L572 HydrophobicContact CG2-CD1 4.34Å; T568-L572 VanDerWaalsContact O-CG 3.27Å; T568-L572 WeakPolarHBondContact O-CG 3.33Å; T568-L572 PolarHBondContact O-N 2.88Å; T568-L572 VanDerWaalsContact O-N 3.1Å; N569-L572 CarbonylContact O-C 3.53Å; N569-L572 WeakPolarHBondContact O-CB 3.35Å; N569-L572 PolarHBondContact O-N 3.28Å; N569-L572 VanDerWaalsContact O-N 3.08Å; L572-K576 WeakPolarHBondContact O-CG 3.4Å; L572-K576 PolarHBondContact O-N 2.94Å
573E69.6Low65.6Low102 Ų10269.9 Ų69.948%0.47737%0.365SS..Hα-helixtrans-74.5-45174.5-71.4-155.8146.600112.2N569 D570 F571 G575 K576 E577N569-E573 WeakPolarHBondContact O-CG 3.48Å; N569-E573 PolarHBondContact O-N 2.95Å; D570-E573 PolarHBondContact O-N 3.28Å; F571-E573 VanDerWaalsContact C-N 3.29Å; F571-E573 PolarHBondContact O-N 3.34Å; E573-G575 VanDerWaalsContact C-N 3.28Å; E573-G575 PolarHBondContact O-N 2.94Å; E573-K576 CarbonylContact O-C 3.58Å; E573-K576 WeakPolarHBondContact O-CA 3.4Å; E573-K576 VanDerWaalsContact O-CB 3.31Å; E573-K576 WeakPolarHBondContact O-CB 3.47Å; E573-K576 PolarHBondContact O-N 2.97Å; E573-E577 PolarHBondContact O-N 3.26Å
574K68.7Low64.3Low99 Ų9970 Ų7043%0.4337%0.366SS..Hα-helixtrans-57.6-41.6171.9-78.7172.4177.4160.50111.7D570 F571 K576 E577 V578D570-K574 WeakPolarHBondContact O-CB 3.37Å; D570-K574 WeakPolarHBondContact O-CG 3.48Å; D570-K574 PolarHBondContact O-N 3.16Å; D570-K574 IonicContact OD1-NZ 3.32Å; D570-K574 VanDerWaalsContact OD2-CE 3.24Å; D570-K574 WeakPolarHBondContact OD2-CE 3.29Å; D570-K574 IonicContact OD2-NZ 3.33Å; D570-K574 PolarHBondContact OD2-NZ 3.47Å; F571-K574 PolarHBondContact O-N 3.5Å; K574-K576 VanDerWaalsContact C-N 3.29Å; K574-K576 PolarHBondContact O-N 3.41Å; K574-E577 CarbonylContact O-C 3.53Å; K574-E577 PolarHBondContact O-N 2.92Å; K574-V578 WeakPolarHBondContact O-CG2 3.28Å; K574-V578 PolarHBondContact O-N 3.16Å
575G63.1Low63.1Low3 Ų373.2 Ų73.23%0.03138%0.383CS..Hα-helixtrans-55.3-45.5172.200000111.7F571 E573 E577 I579 Y1004F571-G575 PolarHBondContact O-N 3.31Å; E573-G575 VanDerWaalsContact C-N 3.28Å; E573-G575 PolarHBondContact O-N 2.94Å; G575-E577 VanDerWaalsContact C-N 3.33Å; G575-E577 PolarHBondContact O-N 3.36Å; G575-I579 WeakPolarHBondContact O-CD1 3.48Å; G575-I579 WeakPolarHBondContact O-CG1 3.42Å; G575-I579 PolarHBondContact O-N 3.5Å; G575-Y1004 VanDerWaalsContact CA-CD1 3.49Å
576K63.1Low62.3Low109 Ų10973 Ų7347%0.47438%0.38SS..Hα-helixtrans-64.3-33.5174.4-66.5166-172.3162.10113.2L572 E573 K574 K580 M1001L572-K576 WeakPolarHBondContact O-CG 3.4Å; L572-K576 PolarHBondContact O-N 2.94Å; E573-K576 CarbonylContact O-C 3.58Å; E573-K576 WeakPolarHBondContact O-CA 3.4Å; E573-K576 VanDerWaalsContact O-CB 3.31Å; E573-K576 WeakPolarHBondContact O-CB 3.47Å; E573-K576 PolarHBondContact O-N 2.97Å; K574-K576 VanDerWaalsContact C-N 3.29Å; K574-K576 PolarHBondContact O-N 3.41Å; K576-K580 WeakPolarHBondContact O-CG 3.36Å; K576-K580 PolarHBondContact O-N 3.04Å; K576-M1001 HydrophobicContact CG-CE 4.03Å
577E62Low61.6Low115 Ų11571 Ų7154%0.53737%0.373SS..Hα-helixtrans-79.3-42.1-179.9-72.2-170.4162.100113.6E573 K574 G575 I579 K580 S581E573-E577 PolarHBondContact O-N 3.26Å; K574-E577 CarbonylContact O-C 3.53Å; K574-E577 PolarHBondContact O-N 2.92Å; G575-E577 VanDerWaalsContact C-N 3.33Å; G575-E577 PolarHBondContact O-N 3.36Å; E577-I579 PolarHBondContact O-N 3.19Å; E577-K580 CarbonylContact O-C 3.58Å; E577-K580 WeakPolarHBondContact O-CA 3.35Å; E577-K580 WeakPolarHBondContact O-CB 3.48Å; E577-K580 PolarHBondContact O-N 2.7Å; E577-S581 WeakPolarHBondContact O-CB 3.1Å; E577-S581 PolarHBondContact O-N 3.4Å; E577-S581 PolarHBondContact O-OG 3.23Å
578V57.6Low60.8Low53 Ų5371.7 Ų71.732%0.32138%0.376SS..Hα-helixtrans-52-45.5172.1170.10000108.9K574 K580 S581 E582 Y1004K574-V578 WeakPolarHBondContact O-CG2 3.28Å; K574-V578 PolarHBondContact O-N 3.16Å; V578-K580 VanDerWaalsContact C-N 3.28Å; V578-K580 PolarHBondContact O-N 2.85Å; V578-S581 WeakPolarHBondContact CA-OG 3.31Å; V578-S581 PolarHBondContact O-N 3.21Å; V578-S581 PolarHBondContact O-OG 3.12Å; V578-E582 PolarHBondContact O-N 3.04Å; V578-Y1004 HydrophobicContact CG1-CE2 4.46Å; V578-Y1004 HydrophobicContact CG2-CE2 4.31Å
579I53.4Low60.5Low37 Ų3774.4 Ų74.419%0.1939%0.386CS..Hα-helixtrans-62.5-30175.3-66.9163.3000113.4G575 E577 M1001G575-I579 WeakPolarHBondContact O-CD1 3.48Å; G575-I579 WeakPolarHBondContact O-CG1 3.42Å; G575-I579 PolarHBondContact O-N 3.5Å; E577-I579 PolarHBondContact O-N 3.19Å; I579-M1001 HydrophobicContact CD1-CB 4.35Å; I579-M1001 HydrophobicContact CD1-CE 3.45Å; I579-M1001 VanDerWaalsContact CD1-CE 3.45Å; I579-M1001 HydrophobicContact CD1-CG 3.3Å; I579-M1001 HydrophobicContact CD1-SD 3.14Å; I579-M1001 WeakPolarHBondContact CD1-SD 3.28Å
580K51.8Low60.4Low108 Ų10873.1 Ų73.147%0.4738%0.38SS..Hα-helixtrans-77.1-35171.9-70.8173.9-178.2173.50112.3K576 E577 V578 N586K576-K580 WeakPolarHBondContact O-CG 3.36Å; K576-K580 PolarHBondContact O-N 3.04Å; E577-K580 CarbonylContact O-C 3.58Å; E577-K580 WeakPolarHBondContact O-CA 3.35Å; E577-K580 WeakPolarHBondContact O-CB 3.48Å; E577-K580 PolarHBondContact O-N 2.7Å; V578-K580 VanDerWaalsContact C-N 3.28Å; V578-K580 PolarHBondContact O-N 2.85Å; K580-N586 HydrophobicContact CG-CB 4.49Å
581S53.1Low60Low93 Ų9370.6 Ų70.665%0.6537%0.366SS*.Hα-helixtrans-85.8-23.2-169.6710000114.1E577 V578 G583E577-S581 WeakPolarHBondContact O-CB 3.1Å; E577-S581 PolarHBondContact O-N 3.4Å; E577-S581 PolarHBondContact O-OG 3.23Å; V578-S581 WeakPolarHBondContact CA-OG 3.31Å; V578-S581 PolarHBondContact O-N 3.21Å; V578-S581 PolarHBondContact O-OG 3.12Å; S581-G583 PolarHBondContact O-N 3.45Å
582E53Low59.9Low120 Ų12074 Ų7456%0.56138%0.381SS*.SBendtrans-67.117.4-179.8-126-178.1-160.700114V578 D584 K1000V578-E582 PolarHBondContact O-N 3.04Å; E582-D584 PolarHBondContact O-N 2.77Å; E582-K1000 IonicContact OE2-NZ 2.83Å; E582-K1000 PolarHBondContact OE2-NZ 2.87Å
583G52.2Low60Low70 Ų7073.3 Ų73.372%0.72238%0.38SS*.SBendtrans72.2-14.7177.700000114.4S581 L585S581-G583 PolarHBondContact O-N 3.45Å; G583-L585 PolarHBondContact O-N 3.4Å; G583-L585 VanDerWaalsContact O-N 3.13Å
584D50.4Low60.1Low60 Ų6071.7 Ų71.732%0.32137%0.371SS..SBendtrans-73.898.1168.5-87.3-36.1000108.8E582 N586 K997E582-D584 PolarHBondContact O-N 2.77Å; D584-N586 PolarHBondContact O-N 3.2Å; D584-N586 VanDerWaalsContact O-N 3.12Å; D584-K997 VanDerWaalsContact CG-CE 3.44Å; D584-K997 IonicContact OD1-NZ 2.76Å; D584-K997 PolarHBondContact OD1-NZ 2.81Å
585L50.8Low60.1Low96 Ų9668.2 Ų68.250%0.50336%0.359SS..  trans-18.8116.3167.1-117.681.8000110.6G583 Y587 T590 V593G583-L585 PolarHBondContact O-N 3.4Å; G583-L585 VanDerWaalsContact O-N 3.13Å; L585-Y587 PolarHBondContact O-N 3.39Å; L585-T590 VanDerWaalsContact CB-OG1 3.28Å; L585-T590 WeakPolarHBondContact CB-OG1 3.38Å; L585-T590 PolarHBondContact O-OG1 2.96Å; L585-V593 HydrophobicContact CD2-CG2 4.34Å
586N57.6Low60.5Low37 Ų3770.7 Ų70.720%0.19838%0.379CS..  trans-19.8108.8174170.313.7000108.8K580 D584 I588 E589 T590K580-N586 HydrophobicContact CG-CB 4.49Å; D584-N586 PolarHBondContact O-N 3.2Å; D584-N586 VanDerWaalsContact O-N 3.12Å; N586-I588 CarbonylContact O-C 3.58Å; N586-I588 PolarHBondContact O-N 3.38Å; N586-I588 WeakPolarHBondContact OD1-CB 3.22Å; N586-E589 HydrophobicContact CB-CB 3.96Å; N586-E589 HydrophobicContact CB-CG 4.1Å; N586-E589 PolarHBondContact ND2-OE1 2.8Å; N586-E589 CarbonylContact O-C 3.37Å; N586-E589 VanDerWaalsContact O-CA 3.24Å; N586-E589 WeakPolarHBondContact O-CA 3.32Å; N586-E589 WeakPolarHBondContact O-CB 3.44Å; N586-E589 PolarHBondContact O-N 3.35Å; N586-T590 PolarHBondContact O-N 2.69Å
587Y58.2Low61.1Low76 Ų7669.6 Ų69.630%0.29838%0.376SS..Hα-helixtrans-44.3-35-171169.6-104.8000112.6L585 T590 I591 L994 K997L585-Y587 PolarHBondContact O-N 3.39Å; Y587-T590 PolarHBondContact O-N 3.48Å; Y587-I591 HydrophobicContact CD1-CD1 3.78Å; Y587-I591 HydrophobicContact CD2-CD1 4.47Å; Y587-I591 HydrophobicContact CE1-CD1 3.33Å; Y587-I591 HydrophobicContact CE1-CG1 4.46Å; Y587-I591 HydrophobicContact CE2-CD1 4.1Å; Y587-I591 HydrophobicContact CE2-CG1 4.49Å; Y587-I591 HydrophobicContact CG-CD1 4.34Å; Y587-I591 VanDerWaalsContact O-CG1 3.31Å; Y587-I591 WeakPolarHBondContact O-CG1 3.24Å; Y587-I591 PolarHBondContact O-N 2.9Å; Y587-L994 HydrophobicContact CD2-CD2 4.21Å; Y587-L994 HydrophobicContact CE2-CB 4.32Å; Y587-L994 HydrophobicContact CE2-CD2 3.53Å; Y587-L994 WeakPolarHBondContact CE2-O 3.43Å; Y587-K997 HydrophobicContact CD2-CB 3.46Å; Y587-K997 VanDerWaalsContact CD2-CB 3.46Å; Y587-K997 HydrophobicContact CD2-CD 3.95Å; Y587-K997 HydrophobicContact CD2-CG 4.28Å; Y587-K997 HydrophobicContact CE2-CB 3.75Å; Y587-K997 HydrophobicContact CG-CB 4.45Å
588I59.5Low61.6Low62 Ų6266.4 Ų66.432%0.31836%0.362SS..Hα-helixtrans-62.1-47.4171.7-62.5-177.7000113.2N586 K592 I803N586-I588 CarbonylContact O-C 3.58Å; N586-I588 PolarHBondContact O-N 3.38Å; N586-I588 WeakPolarHBondContact OD1-CB 3.22Å; I588-K592 HydrophobicContact CG2-CD 4.35Å; I588-K592 WeakPolarHBondContact O-CB 3.49Å; I588-K592 VanDerWaalsContact O-CG 3.27Å; I588-K592 WeakPolarHBondContact O-CG 3.17Å; I588-K592 PolarHBondContact O-N 3.47Å; I588-I803 HydrophobicContact CB-CD1 4.17Å; I588-I803 HydrophobicContact CD1-CG2 4.4Å; I588-I803 HydrophobicContact CG1-CD1 4.01Å; I588-I803 HydrophobicContact CG2-CD1 3.66Å
589E65Low62.4Low95 Ų9568.3 Ų68.344%0.44437%0.366SS..Hα-helixtrans-64.7-40.4170.3-78161.1-150.500112.4N586 I591 K592 V593N586-E589 HydrophobicContact CB-CB 3.96Å; N586-E589 HydrophobicContact CB-CG 4.1Å; N586-E589 PolarHBondContact ND2-OE1 2.8Å; N586-E589 CarbonylContact O-C 3.37Å; N586-E589 VanDerWaalsContact O-CA 3.24Å; N586-E589 WeakPolarHBondContact O-CA 3.32Å; N586-E589 WeakPolarHBondContact O-CB 3.44Å; N586-E589 PolarHBondContact O-N 3.35Å; E589-I591 VanDerWaalsContact C-N 3.31Å; E589-I591 PolarHBondContact O-N 3.09Å; E589-K592 CarbonylContact O-C 3.39Å; E589-K592 PolarHBondContact O-N 2.9Å; E589-K592 VanDerWaalsContact O-N 3.11Å; E589-V593 WeakPolarHBondContact O-CB 3.33Å; E589-V593 VanDerWaalsContact O-CG2 3.28Å; E589-V593 WeakPolarHBondContact O-CG2 3.42Å; E589-V593 PolarHBondContact O-N 3.41Å
590T65.7Low63.5Low8 Ų872 Ų725%0.04938%0.382CS..Hα-helixtrans-57.4-47.6174.2-60.70000110.2L585 N586 Y587 K592 V593 K594L585-T590 VanDerWaalsContact CB-OG1 3.28Å; L585-T590 WeakPolarHBondContact CB-OG1 3.38Å; L585-T590 PolarHBondContact O-OG1 2.96Å; N586-T590 PolarHBondContact O-N 2.69Å; Y587-T590 PolarHBondContact O-N 3.48Å; T590-K592 PolarHBondContact O-N 3.12Å; T590-V593 PolarHBondContact O-N 3.5Å; T590-K594 HydrophobicContact CG2-CG 4.15Å; T590-K594 VanDerWaalsContact O-CB 3.27Å; T590-K594 WeakPolarHBondContact O-CB 3.32Å; T590-K594 VanDerWaalsContact O-CG 3.22Å; T590-K594 WeakPolarHBondContact O-CG 3.48Å; T590-K594 PolarHBondContact O-N 2.8Å
591I66Low64.7Low18 Ų1873.1 Ų73.19%0.09239%0.387CS..Hα-helixtrans-57.9-47.4174-71165.3000110.8Y587 E589 S595 F801 L994Y587-I591 HydrophobicContact CD1-CD1 3.78Å; Y587-I591 HydrophobicContact CD2-CD1 4.47Å; Y587-I591 HydrophobicContact CE1-CD1 3.33Å; Y587-I591 HydrophobicContact CE1-CG1 4.46Å; Y587-I591 HydrophobicContact CE2-CD1 4.1Å; Y587-I591 HydrophobicContact CE2-CG1 4.49Å; Y587-I591 HydrophobicContact CG-CD1 4.34Å; Y587-I591 VanDerWaalsContact O-CG1 3.31Å; Y587-I591 WeakPolarHBondContact O-CG1 3.24Å; Y587-I591 PolarHBondContact O-N 2.9Å; E589-I591 VanDerWaalsContact C-N 3.31Å; E589-I591 PolarHBondContact O-N 3.09Å; I591-S595 WeakPolarHBondContact O-CB 3.36Å; I591-S595 PolarHBondContact O-N 3.17Å; I591-S595 PolarHBondContact O-OG 3.32Å; I591-F801 HydrophobicContact CG2-CB 4.16Å; I591-F801 HydrophobicContact CG2-CD2 4.28Å; I591-F801 HydrophobicContact CG2-CG 4.16Å; I591-L994 HydrophobicContact CD1-CD2 3.99Å; I591-L994 HydrophobicContact CG1-CD2 3.27Å
592K68.1Low65.7Low117 Ų11769 Ų6951%0.50936%0.358SS..Hα-helixtrans-62.1-51-179.6-76.6175.1179.9-176.90111.8I588 E589 T590 K594 S595 A596I588-K592 HydrophobicContact CG2-CD 4.35Å; I588-K592 WeakPolarHBondContact O-CB 3.49Å; I588-K592 VanDerWaalsContact O-CG 3.27Å; I588-K592 WeakPolarHBondContact O-CG 3.17Å; I588-K592 PolarHBondContact O-N 3.47Å; E589-K592 CarbonylContact O-C 3.39Å; E589-K592 PolarHBondContact O-N 2.9Å; E589-K592 VanDerWaalsContact O-N 3.11Å; T590-K592 PolarHBondContact O-N 3.12Å; K592-K594 PolarHBondContact O-N 3.22Å; K592-S595 PolarHBondContact O-N 2.97Å; K592-S595 PolarHBondContact O-OG 2.82Å; K592-A596 WeakPolarHBondContact O-CB 3.23Å; K592-A596 PolarHBondContact O-N 3.21Å
593V71.9Confident66.8Low62 Ų6266 Ų6638%0.37635%0.346SS..Hα-helixtrans-60.6-47.2179.51720000110.3L585 E589 T590 A596 Q597L585-V593 HydrophobicContact CD2-CG2 4.34Å; E589-V593 WeakPolarHBondContact O-CB 3.33Å; E589-V593 VanDerWaalsContact O-CG2 3.28Å; E589-V593 WeakPolarHBondContact O-CG2 3.42Å; E589-V593 PolarHBondContact O-N 3.41Å; T590-V593 PolarHBondContact O-N 3.5Å; V593-A596 WeakPolarHBondContact O-CB 3.45Å; V593-A596 PolarHBondContact O-N 3.29Å; V593-Q597 HydrophobicContact CG1-CG 4.49Å; V593-Q597 WeakPolarHBondContact O-CG 3.31Å; V593-Q597 PolarHBondContact O-N 2.78Å
594K71.4Confident68.1Low67 Ų6767.7 Ų67.729%0.29134%0.335SS..Hα-helixtrans-68.9-37.6179.5-66.4-69.5177.3-171.70112.4T590 K592 A596 Q597 L598 I990T590-K594 HydrophobicContact CG2-CG 4.15Å; T590-K594 VanDerWaalsContact O-CB 3.27Å; T590-K594 WeakPolarHBondContact O-CB 3.32Å; T590-K594 VanDerWaalsContact O-CG 3.22Å; T590-K594 WeakPolarHBondContact O-CG 3.48Å; T590-K594 PolarHBondContact O-N 2.8Å; K592-K594 PolarHBondContact O-N 3.22Å; K594-A596 VanDerWaalsContact C-N 3.29Å; K594-A596 PolarHBondContact O-N 3.42Å; K594-Q597 PolarHBondContact O-N 3.25Å; K594-L598 WeakPolarHBondContact O-CB 3.5Å; K594-L598 PolarHBondContact O-N 3.11Å; K594-I990 HydrophobicContact CB-CG2 4.26Å
595S68.8Low69.3Low26 Ų2671.8 Ų71.818%0.18235%0.347CS..Hα-helixtrans-62.7-37.6172.874.60000111.6I591 K592 K599I591-S595 WeakPolarHBondContact O-CB 3.36Å; I591-S595 PolarHBondContact O-N 3.17Å; I591-S595 PolarHBondContact O-OG 3.32Å; K592-S595 PolarHBondContact O-N 2.97Å; K592-S595 PolarHBondContact O-OG 2.82Å; S595-K599 WeakPolarHBondContact O-CB 3.5Å; S595-K599 PolarHBondContact O-N 2.9Å
596A72.1Confident70.5Confident55 Ų5568.7 Ų68.746%0.45533%0.331SS..Hα-helixtrans-68.1-46.4174.600000111.7K592 V593 K594 L598 K599 E600K592-A596 WeakPolarHBondContact O-CB 3.23Å; K592-A596 PolarHBondContact O-N 3.21Å; V593-A596 WeakPolarHBondContact O-CB 3.45Å; V593-A596 PolarHBondContact O-N 3.29Å; K594-A596 VanDerWaalsContact C-N 3.29Å; K594-A596 PolarHBondContact O-N 3.42Å; A596-L598 VanDerWaalsContact C-N 3.33Å; A596-L598 PolarHBondContact O-N 2.99Å; A596-K599 WeakPolarHBondContact O-CB 3.46Å; A596-K599 PolarHBondContact O-N 3.11Å; A596-E600 WeakPolarHBondContact O-CB 3.48Å; A596-E600 PolarHBondContact O-N 3.37Å
597Q75.7Confident71.6Confident87 Ų8772.5 Ų72.541%0.40735%0.347SS..Hα-helixtrans-59.4-42.2176-75.1180-9.100112.2V593 K594 E600 K601V593-Q597 HydrophobicContact CG1-CG 4.49Å; V593-Q597 WeakPolarHBondContact O-CG 3.31Å; V593-Q597 PolarHBondContact O-N 2.78Å; K594-Q597 PolarHBondContact O-N 3.25Å; Q597-E600 PolarHBondContact O-N 2.79Å; Q597-K601 PolarHBondContact O-N 3.26Å
598L72.3Confident72.5Confident48 Ų4871.6 Ų71.625%0.25135%0.352SS..Hα-helixtrans-64.4-43.8175.9-178.562.2000111.1K594 A596 E600 K601 I602 F799K594-L598 WeakPolarHBondContact O-CB 3.5Å; K594-L598 PolarHBondContact O-N 3.11Å; A596-L598 VanDerWaalsContact C-N 3.33Å; A596-L598 PolarHBondContact O-N 2.99Å; L598-E600 VanDerWaalsContact C-N 3.29Å; L598-E600 PolarHBondContact O-N 3.38Å; L598-K601 PolarHBondContact O-N 3.38Å; L598-I602 HydrophobicContact CD1-CD1 4.11Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.88Å; L598-I602 VanDerWaalsContact O-CG1 3.26Å; L598-I602 WeakPolarHBondContact O-CG1 3.41Å; L598-I602 PolarHBondContact O-N 3.11Å; L598-F799 HydrophobicContact CD2-CB 4.4Å; L598-F799 HydrophobicContact CD2-CD1 3.78Å; L598-F799 HydrophobicContact CD2-CD2 4.23Å; L598-F799 HydrophobicContact CD2-CE1 4.03Å; L598-F799 HydrophobicContact CD2-CE2 4.46Å; L598-F799 HydrophobicContact CD2-CG 3.88Å; L598-F799 HydrophobicContact CD2-CZ 4.36Å
599K73Confident73.3Confident93 Ų9369.2 Ų69.240%0.40434%0.34SS..Hα-helixtrans-61.4-38.7176.7-168.8171.9-176170.80111.9S595 A596 N603 H800S595-K599 WeakPolarHBondContact O-CB 3.5Å; S595-K599 PolarHBondContact O-N 2.9Å; A596-K599 WeakPolarHBondContact O-CB 3.46Å; A596-K599 PolarHBondContact O-N 3.11Å; K599-N603 WeakPolarHBondContact O-CB 3.48Å; K599-N603 PolarHBondContact O-N 3.07Å; K599-N603 PolarHBondContact O-ND2 3.15Å; K599-H800 PolarHBondContact NZ-NE2 3.49Å
600E76.5Confident74Confident114 Ų11470.9 Ų70.953%0.53335%0.348SS..Hα-helixtrans-65.5-49175.7-171.3177.7-176.200111.8A596 Q597 L598 I602 N603 Q604A596-E600 WeakPolarHBondContact O-CB 3.48Å; A596-E600 PolarHBondContact O-N 3.37Å; Q597-E600 PolarHBondContact O-N 2.79Å; L598-E600 VanDerWaalsContact C-N 3.29Å; L598-E600 PolarHBondContact O-N 3.38Å; E600-I602 VanDerWaalsContact C-N 3.31Å; E600-I602 PolarHBondContact O-N 3.09Å; E600-N603 WeakPolarHBondContact O-CA 3.45Å; E600-N603 WeakPolarHBondContact O-CB 3.48Å; E600-N603 PolarHBondContact O-N 3.19Å; E600-Q604 WeakPolarHBondContact O-CG 3.16Å; E600-Q604 PolarHBondContact O-N 3.19Å
601K77Confident74.7Confident131 Ų13175.8 Ų75.857%0.5737%0.374SS*.Hα-helixtrans-59.2-41.4175.3-74.3-172.4177-174.10112.2Q597 L598 N603 Q604 Y605Q597-K601 PolarHBondContact O-N 3.26Å; L598-K601 PolarHBondContact O-N 3.38Å; K601-N603 VanDerWaalsContact C-N 3.3Å; K601-N603 PolarHBondContact O-N 3.47Å; K601-Q604 WeakPolarHBondContact O-CB 3.31Å; K601-Q604 PolarHBondContact O-N 3.42Å; K601-Y605 WeakPolarHBondContact O-CD2 3.37Å; K601-Y605 PolarHBondContact O-N 3.06Å
602I73.8Confident75.2Confident7 Ų778.2 Ų78.24%0.03639%0.386CS..Hα-helixtrans-65.4-35.7175.6-66.7165.5000111.1L598 E600 Y605 N606 L792 I795 K796L598-I602 HydrophobicContact CD1-CD1 4.11Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.88Å; L598-I602 VanDerWaalsContact O-CG1 3.26Å; L598-I602 WeakPolarHBondContact O-CG1 3.41Å; L598-I602 PolarHBondContact O-N 3.11Å; E600-I602 VanDerWaalsContact C-N 3.31Å; E600-I602 PolarHBondContact O-N 3.09Å; I602-Y605 PolarHBondContact O-N 3.39Å; I602-N606 WeakPolarHBondContact O-CB 3.22Å; I602-N606 VanDerWaalsContact O-CG 3.31Å; I602-N606 PolarHBondContact O-N 3.01Å; I602-N606 PolarHBondContact O-ND2 2.92Å; I602-L792 HydrophobicContact CG1-CD2 4.27Å; I602-L792 HydrophobicContact CG2-CD2 4.38Å; I602-I795 HydrophobicContact CD1-CB 4.46Å; I602-I795 HydrophobicContact CD1-CG2 3.67Å; I602-K796 HydrophobicContact CG2-CB 4.01Å; I602-K796 HydrophobicContact CG2-CD 4.15Å; I602-K796 HydrophobicContact CG2-CG 4.36Å
603N76.7Confident75.6Confident56 Ų5675.4 Ų75.430%0.29938%0.377SS..Hα-helixtrans-65.9-40.9173.5-71.7-19000111.7K599 E600 K601 Y605 N606 E607 K796K599-N603 WeakPolarHBondContact O-CB 3.48Å; K599-N603 PolarHBondContact O-N 3.07Å; K599-N603 PolarHBondContact O-ND2 3.15Å; E600-N603 WeakPolarHBondContact O-CA 3.45Å; E600-N603 WeakPolarHBondContact O-CB 3.48Å; E600-N603 PolarHBondContact O-N 3.19Å; K601-N603 VanDerWaalsContact C-N 3.3Å; K601-N603 PolarHBondContact O-N 3.47Å; N603-Y605 VanDerWaalsContact C-N 3.35Å; N603-Y605 PolarHBondContact O-N 3.34Å; N603-N606 WeakPolarHBondContact O-CB 3.15Å; N603-N606 PolarHBondContact O-N 2.97Å; N603-N606 VanDerWaalsContact O-N 3.13Å; N603-E607 PolarHBondContact O-N 3.4Å; N603-K796 PolarHBondContact OD1-NZ 2.72Å
604Q79.6Confident76.1Confident107 Ų10774.6 Ų74.650%0.538%0.377SS..Hα-helixtrans-59.7-43.2174-69.1173.7-8.300112E600 K601 E607 S608E600-Q604 WeakPolarHBondContact O-CG 3.16Å; E600-Q604 PolarHBondContact O-N 3.19Å; K601-Q604 WeakPolarHBondContact O-CB 3.31Å; K601-Q604 PolarHBondContact O-N 3.42Å; Q604-E607 PolarHBondContact O-N 3.5Å; Q604-S608 PolarHBondContact O-N 3.28Å
605Y74.8Confident76.3Confident145 Ų14575.3 Ų75.357%0.56938%0.381SS*.Hα-helixtrans-64.5-39.8173.4-78-67.3000112.3K601 I602 N603 E607 S608 I609 L792K601-Y605 WeakPolarHBondContact O-CD2 3.37Å; K601-Y605 PolarHBondContact O-N 3.06Å; I602-Y605 PolarHBondContact O-N 3.39Å; N603-Y605 VanDerWaalsContact C-N 3.35Å; N603-Y605 PolarHBondContact O-N 3.34Å; Y605-E607 VanDerWaalsContact C-N 3.34Å; Y605-E607 PolarHBondContact O-N 3.08Å; Y605-S608 PolarHBondContact O-N 3.2Å; Y605-I609 WeakPolarHBondContact O-CB 3.43Å; Y605-I609 VanDerWaalsContact O-CG1 3.26Å; Y605-I609 WeakPolarHBondContact O-CG1 3.46Å; Y605-I609 PolarHBondContact O-N 3.09Å; Y605-L792 HydrophobicContact CG-CD1 4.45Å
606N77.4Confident76.5Confident31 Ų3175 Ų7517%0.16638%0.377CS..Hα-helixtrans-62.6-39.9174.9-77.2-47.1000112.2I602 N603 I609 Q610I602-N606 WeakPolarHBondContact O-CB 3.22Å; I602-N606 VanDerWaalsContact O-CG 3.31Å; I602-N606 PolarHBondContact O-N 3.01Å; I602-N606 PolarHBondContact O-ND2 2.92Å; N603-N606 WeakPolarHBondContact O-CB 3.15Å; N603-N606 PolarHBondContact O-N 2.97Å; N603-N606 VanDerWaalsContact O-N 3.13Å; N606-I609 PolarHBondContact O-N 3.44Å; N606-Q610 WeakPolarHBondContact O-CB 3.48Å; N606-Q610 VanDerWaalsContact O-CG 3.31Å; N606-Q610 WeakPolarHBondContact O-CG 3.14Å; N606-Q610 PolarHBondContact O-N 3.31Å
607E79.2Confident76.8Confident117 Ų11777.2 Ų77.255%0.54738%0.378SS..Hα-helixtrans-63.4-44.2173.5-75.7177.3-17600111.3N603 Q604 Y605 I609 Q610 N611N603-E607 PolarHBondContact O-N 3.4Å; Q604-E607 PolarHBondContact O-N 3.5Å; Y605-E607 VanDerWaalsContact C-N 3.34Å; Y605-E607 PolarHBondContact O-N 3.08Å; E607-I609 VanDerWaalsContact C-N 3.31Å; E607-I609 PolarHBondContact O-N 3.41Å; E607-Q610 PolarHBondContact O-N 3.33Å; E607-N611 WeakPolarHBondContact O-CB 3.38Å; E607-N611 VanDerWaalsContact O-CG 3.24Å; E607-N611 PolarHBondContact O-N 3.12Å; E607-N611 PolarHBondContact O-ND2 3.44Å
608S78.1Confident77Confident58 Ų5877.7 Ų77.741%0.40638%0.379SS..Hα-helixtrans-59.8-41.7174.4-172.70000111.9Q604 Y605 N611 I612Q604-S608 PolarHBondContact O-N 3.28Å; Y605-S608 PolarHBondContact O-N 3.2Å; S608-N611 PolarHBondContact O-N 3.36Å; S608-I612 VanDerWaalsContact O-CG1 3.31Å; S608-I612 WeakPolarHBondContact O-CG1 3.07Å; S608-I612 PolarHBondContact O-N 3.28Å
609I75.6Confident76.9Confident12 Ų1275.7 Ų75.76%0.06237%0.369CS..Hα-helixtrans-65.2-42.6176.3-71.3166.1000110.8Y605 N606 E607 N611 I612 N613 F785 Q789 L792Y605-I609 WeakPolarHBondContact O-CB 3.43Å; Y605-I609 VanDerWaalsContact O-CG1 3.26Å; Y605-I609 WeakPolarHBondContact O-CG1 3.46Å; Y605-I609 PolarHBondContact O-N 3.09Å; N606-I609 PolarHBondContact O-N 3.44Å; E607-I609 VanDerWaalsContact C-N 3.31Å; E607-I609 PolarHBondContact O-N 3.41Å; I609-N611 VanDerWaalsContact C-N 3.32Å; I609-N611 PolarHBondContact O-N 2.65Å; I609-I612 PolarHBondContact O-N 3.13Å; I609-N613 WeakPolarHBondContact O-CB 3.41Å; I609-N613 VanDerWaalsContact O-CG 3.29Å; I609-N613 PolarHBondContact O-N 3.02Å; I609-N613 PolarHBondContact O-ND2 3.39Å; I609-F785 HydrophobicContact CG1-CE2 4.29Å; I609-F785 HydrophobicContact CG1-CZ 4.34Å; I609-F785 HydrophobicContact CG2-CZ 4.06Å; I609-Q789 HydrophobicContact CD1-CB 4.18Å; I609-Q789 HydrophobicContact CD1-CG 4.2Å; I609-Q789 HydrophobicContact CG2-CG 4.05Å; I609-L792 HydrophobicContact CD1-CD1 3.77Å
610Q80.3Confident77.2Confident130 Ų13074.4 Ų74.461%0.60736%0.363SS*.Hα-helixtrans-61-41.8174.9-76.3177.7-6.900111.7N606 E607 N613 A614N606-Q610 WeakPolarHBondContact O-CB 3.48Å; N606-Q610 VanDerWaalsContact O-CG 3.31Å; N606-Q610 WeakPolarHBondContact O-CG 3.14Å; N606-Q610 PolarHBondContact O-N 3.31Å; E607-Q610 PolarHBondContact O-N 3.33Å; Q610-N613 PolarHBondContact O-N 3.33Å; Q610-A614 WeakPolarHBondContact O-CB 3.22Å; Q610-A614 PolarHBondContact O-N 3.09Å
611N81.2Confident77.3Confident110 Ų11072.7 Ų72.759%0.58836%0.361SS*.Hα-helixtrans-63.3-43.2176-71.6-23.4000111.8E607 S608 I609 A614 E615E607-N611 WeakPolarHBondContact O-CB 3.38Å; E607-N611 VanDerWaalsContact O-CG 3.24Å; E607-N611 PolarHBondContact O-N 3.12Å; E607-N611 PolarHBondContact O-ND2 3.44Å; S608-N611 PolarHBondContact O-N 3.36Å; I609-N611 VanDerWaalsContact C-N 3.32Å; I609-N611 PolarHBondContact O-N 2.65Å; N611-A614 PolarHBondContact O-N 2.64Å; N611-E615 PolarHBondContact O-N 2.86Å
612I74.9Confident77.2Confident69 Ų6970.2 Ų70.235%0.35435%0.352SS..Hα-helixtrans-62.5-46.6175.1-70.5166.6000110.4S608 I609 A614 E615 I616 F785S608-I612 VanDerWaalsContact O-CG1 3.31Å; S608-I612 WeakPolarHBondContact O-CG1 3.07Å; S608-I612 PolarHBondContact O-N 3.28Å; I609-I612 PolarHBondContact O-N 3.13Å; I612-A614 VanDerWaalsContact C-N 3.29Å; I612-A614 PolarHBondContact O-N 3.04Å; I612-E615 CarbonylContact O-C 3.58Å; I612-E615 PolarHBondContact O-N 2.98Å; I612-E615 VanDerWaalsContact O-N 3.12Å; I612-I616 HydrophobicContact CG2-CD1 3.77Å; I612-I616 HydrophobicContact CG2-CG1 4.36Å; I612-I616 VanDerWaalsContact O-CG1 3.31Å; I612-I616 WeakPolarHBondContact O-CG1 3.41Å; I612-I616 PolarHBondContact O-N 3.3Å; I612-F785 HydrophobicContact CB-CZ 4.24Å; I612-F785 HydrophobicContact CD1-CE2 3.98Å; I612-F785 HydrophobicContact CD1-CZ 4.47Å; I612-F785 HydrophobicContact CG2-CE1 4.47Å; I612-F785 HydrophobicContact CG2-CE2 4.12Å; I612-F785 HydrophobicContact CG2-CZ 3.75Å
613N77.6Confident77.3Confident58 Ų5870.5 Ų70.531%0.3135%0.354SS..Hα-helixtrans-60.7-39.5177-72.8-22.3000111.8I609 Q610 I616 E617I609-N613 WeakPolarHBondContact O-CB 3.41Å; I609-N613 VanDerWaalsContact O-CG 3.29Å; I609-N613 PolarHBondContact O-N 3.02Å; I609-N613 PolarHBondContact O-ND2 3.39Å; Q610-N613 PolarHBondContact O-N 3.33Å; N613-I616 PolarHBondContact O-N 3.48Å; N613-E617 PolarHBondContact O-N 3.01Å
614A81Confident77.3Confident45 Ų4574.9 Ų74.937%0.37237%0.371SS..Hα-helixtrans-64.9-39.8173.900000112.2Q610 N611 I612 E617 K618Q610-A614 WeakPolarHBondContact O-CB 3.22Å; Q610-A614 PolarHBondContact O-N 3.09Å; N611-A614 PolarHBondContact O-N 2.64Å; I612-A614 VanDerWaalsContact C-N 3.29Å; I612-A614 PolarHBondContact O-N 3.04Å; A614-E617 PolarHBondContact O-N 3.22Å; A614-K618 WeakPolarHBondContact O-CG 3.5Å; A614-K618 PolarHBondContact O-N 2.79Å
615E75.9Confident77.2Confident83 Ų8377.9 Ų77.939%0.38838%0.377SS..Hα-helixtrans-68.1-33.7173.9-78.8-56.4141.200113N611 I612 K618 A619 R700N611-E615 PolarHBondContact O-N 2.86Å; I612-E615 CarbonylContact O-C 3.58Å; I612-E615 PolarHBondContact O-N 2.98Å; I612-E615 VanDerWaalsContact O-N 3.12Å; E615-K618 PolarHBondContact O-N 3.45Å; E615-K618 WeakPolarHBondContact OE1-CD 3.45Å; E615-K618 IonicContact OE1-NZ 2.68Å; E615-K618 PolarHBondContact OE1-NZ 3.27Å; E615-A619 WeakPolarHBondContact O-CB 3.38Å; E615-A619 PolarHBondContact O-N 3.17Å; E615-R700 PolarHBondContact O-NH1 3.36Å; E615-R700 IonicContact OE2-NH1 3.64Å
616I74.3Confident77.1Confident19 Ų1971.6 Ų71.610%0.09736%0.356CS..Hα-helixtrans-65.6-38.5171.1-68165.3000110.4I612 N613 A619 K620 V693I612-I616 HydrophobicContact CG2-CD1 3.77Å; I612-I616 HydrophobicContact CG2-CG1 4.36Å; I612-I616 VanDerWaalsContact O-CG1 3.31Å; I612-I616 WeakPolarHBondContact O-CG1 3.41Å; I612-I616 PolarHBondContact O-N 3.3Å; N613-I616 PolarHBondContact O-N 3.48Å; I616-A619 WeakPolarHBondContact O-CB 3.24Å; I616-A619 PolarHBondContact O-N 3.46Å; I616-K620 WeakPolarHBondContact O-CG 3.32Å; I616-K620 PolarHBondContact O-N 3.49Å; I616-V693 HydrophobicContact CD1-CG1 4.06Å
617E78.7Confident76.9Confident101 Ų10174.6 Ų74.647%0.47237%0.368SS..Hα-helixtrans-70.5-42.8174.9-74.5-54.3131.800112.2N613 A614 A619 K620 T621N613-E617 PolarHBondContact O-N 3.01Å; A614-E617 PolarHBondContact O-N 3.22Å; E617-A619 PolarHBondContact O-N 3.5Å; E617-K620 PolarHBondContact O-N 2.89Å; E617-K620 IonicContact OE1-NZ 3.55Å; E617-K620 PolarHBondContact OE1-NZ 3.37Å; E617-T621 PolarHBondContact O-N 3.45Å
618K78Confident76.7Confident98 Ų9872.6 Ų72.643%0.42637%0.367SS..Hα-helixtrans-57.4-37.5170.1-70.6175.8-162.91690110.8A614 E615 K620 T621 M622A614-K618 WeakPolarHBondContact O-CG 3.5Å; A614-K618 PolarHBondContact O-N 2.79Å; E615-K618 PolarHBondContact O-N 3.45Å; E615-K618 WeakPolarHBondContact OE1-CD 3.45Å; E615-K618 IonicContact OE1-NZ 2.68Å; E615-K618 PolarHBondContact OE1-NZ 3.27Å; K618-K620 VanDerWaalsContact C-N 3.35Å; K618-K620 PolarHBondContact O-N 3.03Å; K618-T621 PolarHBondContact O-N 3.4Å; K618-T621 PolarHBondContact O-OG1 2.9Å; K618-M622 WeakPolarHBondContact O-CG 3.41Å; K618-M622 PolarHBondContact O-N 2.95Å
619A72.3Confident76.2Confident5 Ų575.3 Ų75.34%0.04137%0.372CS..Hα-helixtrans-54.2-51.7176.400000111.8E615 I616 E617 T621 M622 V623 R700E615-A619 WeakPolarHBondContact O-CB 3.38Å; E615-A619 PolarHBondContact O-N 3.17Å; I616-A619 WeakPolarHBondContact O-CB 3.24Å; I616-A619 PolarHBondContact O-N 3.46Å; E617-A619 PolarHBondContact O-N 3.5Å; A619-T621 VanDerWaalsContact C-N 3.3Å; A619-T621 PolarHBondContact O-N 2.94Å; A619-M622 PolarHBondContact O-N 2.8Å; A619-V623 WeakPolarHBondContact O-CG2 3.1Å; A619-V623 PolarHBondContact O-N 3.46Å; A619-R700 VanDerWaalsContact CA-CD 3.42Å; A619-R700 HydrophobicContact CB-CB 4.28Å; A619-R700 HydrophobicContact CB-CG 4.32Å
620K77.4Confident75.9Confident67 Ų6775 Ų7529%0.29137%0.37SS..Hα-helixtrans-59.2-41.5179.7-67.1171.3-177.2172.60111.6I616 E617 K618 K624 N696I616-K620 WeakPolarHBondContact O-CG 3.32Å; I616-K620 PolarHBondContact O-N 3.49Å; E617-K620 PolarHBondContact O-N 2.89Å; E617-K620 IonicContact OE1-NZ 3.55Å; E617-K620 PolarHBondContact OE1-NZ 3.37Å; K618-K620 VanDerWaalsContact C-N 3.35Å; K618-K620 PolarHBondContact O-N 3.03Å; K620-K624 WeakPolarHBondContact O-CG 3.25Å; K620-K624 PolarHBondContact O-N 3.5Å; K620-N696 VanDerWaalsContact CE-ND2 3.28Å; K620-N696 WeakPolarHBondContact CE-ND2 2.88Å
621T79.3Confident75Confident77 Ų7770.3 Ų70.347%0.47236%0.358SS..Hα-helixtrans-69.4-37.9177.966.60000112.9E617 K618 A619 K624 R625E617-T621 PolarHBondContact O-N 3.45Å; K618-T621 PolarHBondContact O-N 3.4Å; K618-T621 PolarHBondContact O-OG1 2.9Å; A619-T621 VanDerWaalsContact C-N 3.3Å; A619-T621 PolarHBondContact O-N 2.94Å; T621-K624 PolarHBondContact O-N 3.24Å; T621-R625 PolarHBondContact O-N 3.11Å; T621-R625 VanDerWaalsContact O-N 3.12Å
622M75.1Confident73.6Confident79 Ų7970.3 Ų70.339%0.38937%0.366SS..Hα-helixtrans-68.1-39176-73.3-171.8-172.900111.8K618 A619 R625 A626 R700K618-M622 WeakPolarHBondContact O-CG 3.41Å; K618-M622 PolarHBondContact O-N 2.95Å; A619-M622 PolarHBondContact O-N 2.8Å; M622-R625 CarbonylContact O-C 3.46Å; M622-R625 PolarHBondContact O-N 3.41Å; M622-A626 VanDerWaalsContact O-CB 3.23Å; M622-A626 WeakPolarHBondContact O-CB 3.47Å; M622-A626 PolarHBondContact O-N 3.5Å; M622-R700 PolarHBondContact SD-NH2 2.92Å
623V75.1Confident72.3Confident14 Ų1469.5 Ų69.59%0.08538%0.375CS..Hα-helixtrans-55.7-51.8172.2169.90000110.2A619 R625 A626 E627 R700A619-V623 WeakPolarHBondContact O-CG2 3.1Å; A619-V623 PolarHBondContact O-N 3.46Å; V623-R625 VanDerWaalsContact C-N 3.26Å; V623-R625 PolarHBondContact O-N 3.07Å; V623-A626 CarbonylContact O-C 3.59Å; V623-A626 WeakPolarHBondContact O-CB 3.36Å; V623-A626 PolarHBondContact O-N 3.06Å; V623-E627 HydrophobicContact CG1-CG 4.16Å; V623-E627 WeakPolarHBondContact O-CB 2.94Å; V623-E627 WeakPolarHBondContact O-CG 3.33Å; V623-E627 PolarHBondContact O-N 3.13Å; V623-R700 HydrophobicContact CG2-CB 3.69Å; V623-R700 HydrophobicContact CG2-CG 4.39Å
624K78.5Confident71Confident148 Ų14874.5 Ų74.564%0.64340%0.4SS*.Hα-helixtrans-57.1-38.8178.1-70.4177.9-179.6-1780112.8K620 T621 S628K620-K624 WeakPolarHBondContact O-CG 3.25Å; K620-K624 PolarHBondContact O-N 3.5Å; T621-K624 PolarHBondContact O-N 3.24Å; K624-S628 PolarHBondContact O-N 2.91Å
625R75.7Confident69.4Low170 Ų17078.8 Ų78.864%0.64242%0.416SS*.Hα-helixtrans-71.5-36.9175.9-169.7-174-65.2158.5-0.6112.2T621 M622 V623 S628 F629T621-R625 PolarHBondContact O-N 3.11Å; T621-R625 VanDerWaalsContact O-N 3.12Å; M622-R625 CarbonylContact O-C 3.46Å; M622-R625 PolarHBondContact O-N 3.41Å; V623-R625 VanDerWaalsContact C-N 3.26Å; V623-R625 PolarHBondContact O-N 3.07Å; R625-S628 PolarHBondContact O-N 3.44Å; R625-S628 PolarHBondContact O-OG 3Å; R625-F629 WeakPolarHBondContact O-CB 3.25Å; R625-F629 PolarHBondContact O-N 3.35Å
626A74.5Confident68.3Low13 Ų1382.2 Ų82.211%0.10743%0.432CS..Hα-helixtrans-70.4-41.1178.200000110.9M622 V623 F629 L630 T703 V707M622-A626 VanDerWaalsContact O-CB 3.23Å; M622-A626 WeakPolarHBondContact O-CB 3.47Å; M622-A626 PolarHBondContact O-N 3.5Å; V623-A626 CarbonylContact O-C 3.59Å; V623-A626 WeakPolarHBondContact O-CB 3.36Å; V623-A626 PolarHBondContact O-N 3.06Å; A626-F629 PolarHBondContact O-N 3.15Å; A626-L630 WeakPolarHBondContact O-CB 3.26Å; A626-L630 WeakPolarHBondContact O-CG 3.28Å; A626-L630 PolarHBondContact O-N 2.93Å; A626-T703 HydrophobicContact CB-CG2 3.54Å; A626-V707 HydrophobicContact CB-CG2 3.77Å
627E73.3Confident67.4Low93 Ų9387.6 Ų87.644%0.43547%0.467SS..Hα-helixtrans-59.7-43.3170.3-72.3174.8165.500111.4V623 F629 L630 G631 T703V623-E627 HydrophobicContact CG1-CG 4.16Å; V623-E627 WeakPolarHBondContact O-CB 2.94Å; V623-E627 WeakPolarHBondContact O-CG 3.33Å; V623-E627 PolarHBondContact O-N 3.13Å; E627-F629 VanDerWaalsContact C-N 3.33Å; E627-F629 PolarHBondContact O-N 3.42Å; E627-L630 PolarHBondContact O-N 3.46Å; E627-G631 PolarHBondContact O-N 3.34Å; E627-T703 HydrophobicContact CG-CG2 4.07Å
628S73.2Confident66.9Low75 Ų7584.8 Ų84.852%0.52445%0.454SS..Hα-helixtrans-65.4-36175.378.80000112.5K624 R625 G631K624-S628 PolarHBondContact O-N 2.91Å; R625-S628 PolarHBondContact O-N 3.44Å; R625-S628 PolarHBondContact O-OG 3Å; S628-G631 WeakPolarHBondContact O-CA 3.47Å; S628-G631 PolarHBondContact O-N 3.3Å; S628-G631 VanDerWaalsContact O-N 3.08Å
629F69.5Low66.8Low116 Ų11684.1 Ų84.151%0.50945%0.454SS..Hα-helixtrans-71.8-34175.4-155.2-88.6000112.8R625 A626 E627 G631 V707 K710 T711R625-F629 WeakPolarHBondContact O-CB 3.25Å; R625-F629 PolarHBondContact O-N 3.35Å; A626-F629 PolarHBondContact O-N 3.15Å; E627-F629 VanDerWaalsContact C-N 3.33Å; E627-F629 PolarHBondContact O-N 3.42Å; F629-G631 PolarHBondContact O-N 3.18Å; F629-V707 HydrophobicContact CD1-CG1 4.39Å; F629-K710 PolarHBondContact O-NZ 2.77Å; F629-T711 HydrophobicContact CE1-CG2 4.01Å
630L67.6Low67.1Low4 Ų484.8 Ų84.82%0.02146%0.455CS..Hα-helixtrans-63.1-29.3168.1-73.9163.4000109.8A626 E627 N638 A641 T703 V707 K710A626-L630 WeakPolarHBondContact O-CB 3.26Å; A626-L630 WeakPolarHBondContact O-CG 3.28Å; A626-L630 PolarHBondContact O-N 2.93Å; E627-L630 PolarHBondContact O-N 3.46Å; L630-N638 PolarHBondContact O-ND2 3.19Å; L630-A641 HydrophobicContact CB-CB 3.94Å; L630-T703 HydrophobicContact CD1-CG2 3.74Å; L630-V707 HydrophobicContact CD1-CG2 4.01Å; L630-V707 HydrophobicContact CD2-CG2 4.21Å; L630-V707 HydrophobicContact CG-CG2 3.77Å; L630-K710 HydrophobicContact CD2-CB 4.46Å; L630-K710 HydrophobicContact CD2-CD 3.81Å; L630-K710 PolarHBondContact O-NZ 3.14Å
631G61.3Low66.9Low33 Ų3382.5 Ų82.534%0.3445%0.449SS..  trans91.2104.5176.900000108.6E627 S628 F629 G633E627-G631 PolarHBondContact O-N 3.34Å; S628-G631 WeakPolarHBondContact O-CA 3.47Å; S628-G631 PolarHBondContact O-N 3.3Å; S628-G631 VanDerWaalsContact O-N 3.08Å; F629-G631 PolarHBondContact O-N 3.18Å; G631-G633 PolarHBondContact O-N 3.42Å; G631-G633 VanDerWaalsContact O-N 3.13Å
632S51.6Low66.8Low110 Ų11084 Ų8477%0.76945%0.447SS*.  trans-75.68.6-178.2580000113.7I634S632-I634 PolarHBondContact O-N 3.01Å
633G49.2Very low67.2Low52 Ų5282.4 Ų82.454%0.53644%0.439SS..  trans-74.7113.7-179.800000110G631 N635G631-G633 PolarHBondContact O-N 3.42Å; G631-G633 VanDerWaalsContact O-N 3.13Å; G633-N635 PolarHBondContact O-N 2.99Å
634I49.8Very low67.4Low162 Ų16282.3 Ų82.383%0.83144%0.439SS*.  trans-53.2-7.8169.1-68.5159.3000112.7S632 E636S632-I634 PolarHBondContact O-N 3.01Å; I634-E636 PolarHBondContact O-N 3.46Å
635N47.8Very low67.6Low135 Ų13579.9 Ų79.972%0.72243%0.432SS*.SBendtrans-57.3103.5163.2-78.42.8000109.4G633 T637G633-N635 PolarHBondContact O-N 2.99Å; N635-T637 PolarHBondContact O-N 3.23Å; N635-T637 PolarHBondContact O-OG1 2.83Å
636E51.3Low67.9Low155 Ų15576.4 Ų76.472%0.72442%0.423SS*.THydrogen-bonded Turntrans-48.14.4-172.2-67.5-170.2126.300118I634 R642I634-E636 PolarHBondContact O-N 3.46Å; E636-R642 VanDerWaalsContact CG-NH2 3.29Å; E636-R642 PolarHBondContact O-NH2 2.97Å; E636-R642 IonicContact OE1-NH2 2.82Å
637T55.4Low68.3Low133 Ų13376.5 Ų76.582%0.81642%0.421SS*.THydrogen-bonded Turntrans-79.1-23.4-17152.40000115.1N635N635-T637 PolarHBondContact O-N 3.23Å; N635-T637 PolarHBondContact O-OG1 2.83Å
638N70.1Confident68.7Low41 Ų4172.7 Ų72.722%0.21941%0.406CS..  trans-99.397.1178.9-170.23.5000113.8L630 Y640 A641 R642 K710L630-N638 PolarHBondContact O-ND2 3.19Å; N638-Y640 VanDerWaalsContact C-N 3.31Å; N638-Y640 PolarHBondContact O-N 2.96Å; N638-Y640 PolarHBondContact OD1-N 3.25Å; N638-Y640 VanDerWaalsContact OD1-N 3.15Å; N638-A641 HydrophobicContact CB-CB 4.29Å; N638-A641 PolarHBondContact O-N 3.44Å; N638-R642 PolarHBondContact O-N 2.99Å; N638-K710 PolarHBondContact ND2-NZ 3.17Å
639M75.8Confident69.3Low84 Ų8475.6 Ų75.641%0.41441%0.409SS..Hα-helixtrans-58-35.7179.4-150.3159.27600113.7A641 M643 L761M639-A641 PolarHBondContact O-N 3.26Å; M639-M643 WeakPolarHBondContact O-CB 3.35Å; M639-M643 PolarHBondContact O-N 3.11Å; M639-M643 VanDerWaalsContact O-N 3.07Å; M639-L761 HydrophobicContact CB-CD2 4.16Å; M639-L761 HydrophobicContact CE-CB 4.15Å; M639-L761 HydrophobicContact CE-CD2 3.19Å; M639-L761 HydrophobicContact CE-CG 4.25Å; M639-L761 HydrophobicContact CG-CD2 3.49Å; M639-L761 VanDerWaalsContact CG-CD2 3.49Å; M639-L761 HydrophobicContact SD-CD2 3.92Å
640Y77Confident70Confident19 Ų1975.7 Ų75.78%0.07541%0.411CS..Hα-helixtrans-66.8-38179.5-71.6-91000112.7N638 S644 M706 K710 A713 L761 A764N638-Y640 VanDerWaalsContact C-N 3.31Å; N638-Y640 PolarHBondContact O-N 2.96Å; N638-Y640 PolarHBondContact OD1-N 3.25Å; N638-Y640 VanDerWaalsContact OD1-N 3.15Å; Y640-S644 WeakPolarHBondContact O-CB 3.49Å; Y640-S644 PolarHBondContact O-N 3.23Å; Y640-S644 PolarHBondContact O-OG 2.91Å; Y640-M706 HydrophobicContact CD1-CE 4.14Å; Y640-M706 VanDerWaalsContact O-CE 3.26Å; Y640-M706 WeakPolarHBondContact O-CE 3.28Å; Y640-K710 HydrophobicContact CD1-CB 4.17Å; Y640-K710 HydrophobicContact CD2-CB 4.36Å; Y640-K710 HydrophobicContact CD2-CG 4.44Å; Y640-K710 HydrophobicContact CG-CB 4.02Å; Y640-K710 HydrophobicContact CG-CG 4.47Å; Y640-A713 HydrophobicContact CE2-CB 4.42Å; Y640-L761 HydrophobicContact CD1-CD1 3.38Å; Y640-L761 HydrophobicContact CD2-CD1 4.23Å; Y640-L761 HydrophobicContact CE1-CB 4.46Å; Y640-L761 HydrophobicContact CE1-CD1 3.45Å; Y640-L761 VanDerWaalsContact CE1-CD1 3.45Å; Y640-L761 HydrophobicContact CE2-CD1 4.27Å; Y640-L761 HydrophobicContact CG-CD1 3.78Å; Y640-A764 HydrophobicContact CE1-CB 4.41Å
641A73.7Confident70.7Confident20 Ų2075.9 Ų75.917%0.16541%0.413CS..Hα-helixtrans-68.9-45.7-179.700000111L630 N638 M639 M643 S644 L645L630-A641 HydrophobicContact CB-CB 3.94Å; N638-A641 HydrophobicContact CB-CB 4.29Å; N638-A641 PolarHBondContact O-N 3.44Å; M639-A641 PolarHBondContact O-N 3.26Å; A641-M643 PolarHBondContact O-N 3Å; A641-S644 PolarHBondContact O-N 3.48Å; A641-S644 PolarHBondContact O-OG 3.08Å; A641-L645 PolarHBondContact O-N 2.65Å; A641-L645 VanDerWaalsContact O-N 3.11Å
642R78.1Confident71.8Confident109 Ų10978.9 Ų78.941%0.41142%0.417SS..Hα-helixtrans-58-49.6176.1-174.9-176-62.3178.8-5.7111.1E636 N638 S644 L645 E646E636-R642 VanDerWaalsContact CG-NH2 3.29Å; E636-R642 PolarHBondContact O-NH2 2.97Å; E636-R642 IonicContact OE1-NH2 2.82Å; N638-R642 PolarHBondContact O-N 2.99Å; R642-S644 PolarHBondContact O-N 3.5Å; R642-L645 WeakPolarHBondContact O-CB 3.28Å; R642-L645 PolarHBondContact O-N 3.2Å; R642-L645 VanDerWaalsContact O-N 3.13Å; R642-E646 PolarHBondContact O-N 3.01Å
643M81.9Confident73.5Confident45 Ų4581.1 Ų81.122%0.22241%0.409CS..Hα-helixtrans-66.4-37.6-177.3-157.262.171.600112M639 A641 L645 E646 M647 M706 L761 I765M639-M643 WeakPolarHBondContact O-CB 3.35Å; M639-M643 PolarHBondContact O-N 3.11Å; M639-M643 VanDerWaalsContact O-N 3.07Å; A641-M643 PolarHBondContact O-N 3Å; M643-L645 VanDerWaalsContact C-N 3.29Å; M643-L645 PolarHBondContact O-N 3.37Å; M643-E646 PolarHBondContact O-N 2.73Å; M643-M647 HydrophobicContact CG-SD 4.28Å; M643-M647 WeakPolarHBondContact O-CB 3.42Å; M643-M647 WeakPolarHBondContact O-CG 3.45Å; M643-M647 PolarHBondContact O-N 3.05Å; M643-M706 HydrophobicContact CB-CE 3.97Å; M643-M706 HydrophobicContact CG-CE 4.46Å; M643-L761 HydrophobicContact CE-CD2 4.35Å; M643-I765 HydrophobicContact CE-CD1 3.8Å; M643-I765 HydrophobicContact CG-CD1 3.48Å; M643-I765 VanDerWaalsContact CG-CD1 3.48Å; M643-I765 HydrophobicContact CG-CG1 3.42Å; M643-I765 VanDerWaalsContact CG-CG1 3.42Å; M643-I765 HydrophobicContact SD-CD1 3.71Å; M643-I765 HydrophobicContact SD-CG1 4.21Å
644S81.1Confident75.1Confident12 Ų1282.9 Ų82.98%0.08440%0.404CS..Hα-helixtrans-61.3-36.9173.166.80000113Y640 A641 R642 A648Y640-S644 WeakPolarHBondContact O-CB 3.49Å; Y640-S644 PolarHBondContact O-N 3.23Å; Y640-S644 PolarHBondContact O-OG 2.91Å; A641-S644 PolarHBondContact O-N 3.48Å; A641-S644 PolarHBondContact O-OG 3.08Å; R642-S644 PolarHBondContact O-N 3.5Å; S644-A648 WeakPolarHBondContact O-CB 3.35Å; S644-A648 PolarHBondContact O-N 2.92Å
645L81.5Confident76.8Confident97 Ų9776 Ų7651%0.50837%0.368SS..Hα-helixtrans-69.8-41.2177.7-169.189.2000111.2A641 R642 M643 A648 K649A641-L645 PolarHBondContact O-N 2.65Å; A641-L645 VanDerWaalsContact O-N 3.11Å; R642-L645 WeakPolarHBondContact O-CB 3.28Å; R642-L645 PolarHBondContact O-N 3.2Å; R642-L645 VanDerWaalsContact O-N 3.13Å; M643-L645 VanDerWaalsContact C-N 3.29Å; M643-L645 PolarHBondContact O-N 3.37Å; L645-A648 PolarHBondContact O-N 3.42Å; L645-K649 WeakPolarHBondContact O-CB 3.31Å; L645-K649 WeakPolarHBondContact O-CG 3.18Å; L645-K649 PolarHBondContact O-N 2.97Å
646E83.1Confident78.6Confident97 Ų9772.3 Ų72.345%0.45335%0.348SS..Hα-helixtrans-65.6-44.7177.3-75.8174.5-173.400111.6R642 M643 A648 K649 Q650R642-E646 PolarHBondContact O-N 3.01Å; M643-E646 PolarHBondContact O-N 2.73Å; E646-A648 VanDerWaalsContact C-N 3.34Å; E646-A648 PolarHBondContact O-N 2.92Å; E646-K649 PolarHBondContact O-N 3.07Å; E646-Q650 WeakPolarHBondContact O-CB 3.34Å; E646-Q650 PolarHBondContact O-N 2.95Å
647M82.4Confident80.3Confident14 Ų1471.3 Ų71.37%0.06934%0.341CS..Hα-helixtrans-60.9-42.9175.3-6817068.400111.8M643 Q650 A651 M706 I765 C768 S769M643-M647 HydrophobicContact CG-SD 4.28Å; M643-M647 WeakPolarHBondContact O-CB 3.42Å; M643-M647 WeakPolarHBondContact O-CG 3.45Å; M643-M647 PolarHBondContact O-N 3.05Å; M647-Q650 PolarHBondContact O-N 3.41Å; M647-A651 VanDerWaalsContact O-CB 3.31Å; M647-A651 WeakPolarHBondContact O-CB 3.27Å; M647-A651 PolarHBondContact O-N 2.78Å; M647-M706 HydrophobicContact SD-CE 4.44Å; M647-M706 HydrophobicContact SD-SD 4.24Å; M647-I765 WeakPolarHBondContact CE-O 3.33Å; M647-I765 HydrophobicContact SD-CB 4.48Å; M647-I765 HydrophobicContact SD-CG1 4.36Å; M647-I765 HydrophobicContact SD-CG2 4.29Å; M647-C768 VanDerWaalsContact CE-C 3.48Å; M647-C768 HydrophobicContact CE-CB 3.88Å; M647-S769 VanDerWaalsContact CE-CA 3.43Å
648A82Confident81.6Confident13 Ų1369.8 Ų69.811%0.10732%0.323CS..Hα-helixtrans-64.5-40.1176.200000112.2S644 L645 E646 K652 T699S644-A648 WeakPolarHBondContact O-CB 3.35Å; S644-A648 PolarHBondContact O-N 2.92Å; L645-A648 PolarHBondContact O-N 3.42Å; E646-A648 VanDerWaalsContact C-N 3.34Å; E646-A648 PolarHBondContact O-N 2.92Å; A648-K652 WeakPolarHBondContact O-CB 3.48Å; A648-K652 PolarHBondContact O-N 2.97Å; A648-T699 HydrophobicContact CB-CG2 4.25Å
649K84.5Confident82.3Confident136 Ų13668.7 Ų68.759%0.59132%0.32SS*.Hα-helixtrans-63.5-44.9174.7-78.6177-179.3179.60111.8L645 E646 K652 Y653L645-K649 WeakPolarHBondContact O-CB 3.31Å; L645-K649 WeakPolarHBondContact O-CG 3.18Å; L645-K649 PolarHBondContact O-N 2.97Å; E646-K649 PolarHBondContact O-N 3.07Å; K649-K652 PolarHBondContact O-N 3.17Å; K649-Y653 PolarHBondContact O-N 3.04Å
650Q84.7Confident82.8Confident119 Ų11969.8 Ų69.856%0.55632%0.324SS*.Hα-helixtrans-64.5-47.9178.9-175.9176.8-12.800111.1E646 M647 K652 Y653 E654E646-Q650 WeakPolarHBondContact O-CB 3.34Å; E646-Q650 PolarHBondContact O-N 2.95Å; M647-Q650 PolarHBondContact O-N 3.41Å; Q650-K652 VanDerWaalsContact C-N 3.32Å; Q650-K652 PolarHBondContact O-N 3.39Å; Q650-Y653 PolarHBondContact O-N 3.3Å; Q650-Y653 VanDerWaalsContact O-N 3.16Å; Q650-E654 PolarHBondContact NE2-OE1 3.43Å; Q650-E654 PolarHBondContact O-N 3.48Å
651A81.8Confident83.2Confident8 Ų871.7 Ų71.77%0.06634%0.344CS..Hα-helixtrans-58.3-44.6176.700000111.5M647 Y653 E654 M655 E698M647-A651 VanDerWaalsContact O-CB 3.31Å; M647-A651 WeakPolarHBondContact O-CB 3.27Å; M647-A651 PolarHBondContact O-N 2.78Å; A651-Y653 VanDerWaalsContact C-N 3.34Å; A651-Y653 PolarHBondContact O-N 3.44Å; A651-E654 PolarHBondContact O-N 2.79Å; A651-M655 WeakPolarHBondContact O-CB 3.23Å; A651-M655 VanDerWaalsContact O-CG 3.27Å; A651-M655 WeakPolarHBondContact O-CG 3.37Å; A651-M655 PolarHBondContact O-N 3.28Å; A651-E698 HydrophobicContact CB-CG 4.46Å
652K84.5Confident83.6Confident95 Ų9573.3 Ų73.341%0.41335%0.354SS..Hα-helixtrans-57.3-46.3175.5-166.6176.1-179.4176.80112.3A648 K649 Q650 M655 I656 Y695A648-K652 WeakPolarHBondContact O-CB 3.48Å; A648-K652 PolarHBondContact O-N 2.97Å; K649-K652 PolarHBondContact O-N 3.17Å; Q650-K652 VanDerWaalsContact C-N 3.32Å; Q650-K652 PolarHBondContact O-N 3.39Å; K652-M655 PolarHBondContact O-N 2.84Å; K652-I656 HydrophobicContact CG-CD1 3.92Å; K652-I656 WeakPolarHBondContact O-CB 3.23Å; K652-I656 VanDerWaalsContact O-CG1 3.26Å; K652-I656 WeakPolarHBondContact O-CG1 3.29Å; K652-I656 PolarHBondContact O-N 3.01Å; K652-Y695 HydrophobicContact CB-CD2 4.01Å; K652-Y695 HydrophobicContact CB-CE2 3.58Å; K652-Y695 HydrophobicContact CD-CD2 4.49Å; K652-Y695 HydrophobicContact CD-CE2 3.9Å; K652-Y695 HydrophobicContact CG-CD2 4.01Å; K652-Y695 HydrophobicContact CG-CE2 3.76Å
653Y87.2Confident83.9Confident157 Ų15770.6 Ų70.662%0.61635%0.345SS*.Hα-helixtrans-62.9-45.1179.6178.1-99.8000111.7K649 Q650 A651 I656 K657K649-Y653 PolarHBondContact O-N 3.04Å; Q650-Y653 PolarHBondContact O-N 3.3Å; Q650-Y653 VanDerWaalsContact O-N 3.16Å; A651-Y653 VanDerWaalsContact C-N 3.34Å; A651-Y653 PolarHBondContact O-N 3.44Å; Y653-I656 PolarHBondContact O-N 3.49Å; Y653-K657 WeakPolarHBondContact O-CB 3.39Å; Y653-K657 PolarHBondContact O-N 2.91Å
654E83.8Confident84.1Confident89 Ų8973 Ų7342%0.41636%0.359SS..Hα-helixtrans-63.8-41.6177.8-72.2179.4-165.100112.2Q650 A651 K657 K658Q650-E654 PolarHBondContact NE2-OE1 3.43Å; Q650-E654 PolarHBondContact O-N 3.48Å; A651-E654 PolarHBondContact O-N 2.79Å; E654-K657 PolarHBondContact O-N 3.27Å; E654-K658 WeakPolarHBondContact O-CG 3.35Å; E654-K658 PolarHBondContact O-N 3.4Å
655M84.2Confident84.2Confident17 Ų1774.9 Ų74.98%0.08437%0.372CS..Hα-helixtrans-64.6-45.4176.1-70.1-175.3179.800112.5A651 K652 K657 K658 A659 L691 E694 Y695 E698 L772A651-M655 WeakPolarHBondContact O-CB 3.23Å; A651-M655 VanDerWaalsContact O-CG 3.27Å; A651-M655 WeakPolarHBondContact O-CG 3.37Å; A651-M655 PolarHBondContact O-N 3.28Å; K652-M655 PolarHBondContact O-N 2.84Å; M655-K657 VanDerWaalsContact C-N 3.29Å; M655-K657 PolarHBondContact O-N 3.44Å; M655-K658 PolarHBondContact O-N 3.03Å; M655-A659 WeakPolarHBondContact O-CB 3.46Å; M655-A659 PolarHBondContact O-N 2.86Å; M655-L691 HydrophobicContact CB-CD1 3.48Å; M655-L691 VanDerWaalsContact CB-CD1 3.48Å; M655-L691 HydrophobicContact CG-CD1 4.43Å; M655-L691 HydrophobicContact SD-CD1 4.27Å; M655-E694 HydrophobicContact CE-CB 4.44Å; M655-E694 HydrophobicContact SD-CB 4.43Å; M655-Y695 HydrophobicContact SD-CD2 4.35Å; M655-E698 HydrophobicContact CE-CB 3.48Å; M655-E698 VanDerWaalsContact CE-CB 3.48Å; M655-E698 HydrophobicContact CE-CG 3.98Å; M655-E698 WeakPolarHBondContact CE-OE2 3.29Å; M655-L772 HydrophobicContact CE-CD2 4.29Å
656I85.5Confident84Confident59 Ų5972.1 Ų72.130%0.30336%0.357SS..Hα-helixtrans-58.2-46.2176.4-71.8167.6000109.7K652 Y653 K658 A659 E660 L691K652-I656 HydrophobicContact CG-CD1 3.92Å; K652-I656 WeakPolarHBondContact O-CB 3.23Å; K652-I656 VanDerWaalsContact O-CG1 3.26Å; K652-I656 WeakPolarHBondContact O-CG1 3.29Å; K652-I656 PolarHBondContact O-N 3.01Å; Y653-I656 PolarHBondContact O-N 3.49Å; I656-K658 PolarHBondContact O-N 2.93Å; I656-A659 PolarHBondContact O-N 3.33Å; I656-E660 HydrophobicContact CG2-CG 4.26Å; I656-E660 WeakPolarHBondContact O-CB 3.41Å; I656-E660 WeakPolarHBondContact O-CG 3.46Å; I656-E660 PolarHBondContact O-N 3.03Å; I656-L691 HydrophobicContact CG1-CD2 4.09Å
657K87.1Confident83.9Confident133 Ų13369.8 Ų69.858%0.57835%0.347SS*.Hα-helixtrans-59.7-43.2178.1-173.9-179.9178.8-178.20112.2Y653 E654 M655 A661Y653-K657 WeakPolarHBondContact O-CB 3.39Å; Y653-K657 PolarHBondContact O-N 2.91Å; E654-K657 PolarHBondContact O-N 3.27Å; M655-K657 VanDerWaalsContact C-N 3.29Å; M655-K657 PolarHBondContact O-N 3.44Å; K657-A661 WeakPolarHBondContact O-CB 3.35Å; K657-A661 PolarHBondContact O-N 3.36Å
658K83.8Confident83.9Confident102 Ų10273 Ų7344%0.44337%0.368SS..Hα-helixtrans-65.4-42.6176.1-73.4177.1-178.6178.20111.7E654 M655 I656 A661 S662E654-K658 WeakPolarHBondContact O-CG 3.35Å; E654-K658 PolarHBondContact O-N 3.4Å; M655-K658 PolarHBondContact O-N 3.03Å; I656-K658 PolarHBondContact O-N 2.93Å; K658-A661 PolarHBondContact O-N 3.24Å; K658-S662 PolarHBondContact O-N 3.45Å
659A83.8Confident83.6Confident18 Ų1878.5 Ų78.515%0.14939%0.393CS..Hα-helixtrans-65.8-42.6178.500000112.3M655 I656 S662 K663 I687 L691M655-A659 WeakPolarHBondContact O-CB 3.46Å; M655-A659 PolarHBondContact O-N 2.86Å; I656-A659 PolarHBondContact O-N 3.33Å; A659-S662 PolarHBondContact O-N 2.96Å; A659-K663 WeakPolarHBondContact O-CB 3.36Å; A659-K663 PolarHBondContact O-N 3.04Å; A659-I687 HydrophobicContact CB-CG2 4.09Å; A659-L691 HydrophobicContact CB-CD1 4.26Å; A659-L691 HydrophobicContact CB-CD2 3.98Å; A659-L691 HydrophobicContact CB-CG 4.5Å
660E86.3Confident83.1Confident106 Ų10673.5 Ų73.550%0.49537%0.372SS..Hα-helixtrans-64.3-40.6175.2-74.8177.6172.600112.1I656 K663 N664I656-E660 HydrophobicContact CG2-CG 4.26Å; I656-E660 WeakPolarHBondContact O-CB 3.41Å; I656-E660 WeakPolarHBondContact O-CG 3.46Å; I656-E660 PolarHBondContact O-N 3.03Å; E660-K663 PolarHBondContact O-N 3.06Å; E660-N664 WeakPolarHBondContact O-CB 3.2Å; E660-N664 PolarHBondContact O-N 2.99Å; E660-N664 PolarHBondContact O-ND2 3.23Å
661A86Confident82.4Confident60 Ų6075.4 Ų75.450%0.49638%0.379SS..Hα-helixtrans-61.3-43.717400000111.8K657 K658 N664 S665K657-A661 WeakPolarHBondContact O-CB 3.35Å; K657-A661 PolarHBondContact O-N 3.36Å; K658-A661 PolarHBondContact O-N 3.24Å; A661-N664 PolarHBondContact O-N 3.48Å; A661-S665 WeakPolarHBondContact O-CB 3.29Å; A661-S665 PolarHBondContact O-N 3.21Å
662S82.4Confident81.8Confident53 Ų5382.1 Ų82.137%0.37141%0.413SS..Hα-helixtrans-63.8-45.1175.1-175.40000112.1K658 A659 N664 S665 I666K658-S662 PolarHBondContact O-N 3.45Å; A659-S662 PolarHBondContact O-N 2.96Å; S662-N664 VanDerWaalsContact C-N 3.34Å; S662-N664 PolarHBondContact O-N 3.29Å; S662-S665 WeakPolarHBondContact O-CB 3.47Å; S662-S665 PolarHBondContact O-N 2.96Å; S662-I666 WeakPolarHBondContact O-CG1 3.29Å; S662-I666 PolarHBondContact O-N 3.01Å
663K83.9Confident81.1Confident52 Ų5285.1 Ų85.123%0.22643%0.426CS..Hα-helixtrans-56.7-47174.7-179.5161.678.1178.70111.5A659 E660 I666 I667 T684 E688A659-K663 WeakPolarHBondContact O-CB 3.36Å; A659-K663 PolarHBondContact O-N 3.04Å; E660-K663 PolarHBondContact O-N 3.06Å; K663-I666 PolarHBondContact O-N 3.46Å; K663-I667 HydrophobicContact CG-CD1 3.79Å; K663-I667 WeakPolarHBondContact O-CB 3.39Å; K663-I667 VanDerWaalsContact O-CG1 3.25Å; K663-I667 WeakPolarHBondContact O-CG1 3.31Å; K663-I667 PolarHBondContact O-N 2.87Å; K663-T684 HydrophobicContact CD-CG2 3.71Å; K663-T684 HydrophobicContact CG-CG2 3.76Å; K663-E688 IonicContact NZ-OE1 3.9Å; K663-E688 PolarHBondContact NZ-OE1 3.04Å
664N85.5Confident80.4Confident95 Ų9583.3 Ų83.351%0.50844%0.437SS..Hα-helixtrans-66.3-38.4178.2-70.5-20.7000112.2E660 A661 S662 I667 T668E660-N664 WeakPolarHBondContact O-CB 3.2Å; E660-N664 PolarHBondContact O-N 2.99Å; E660-N664 PolarHBondContact O-ND2 3.23Å; A661-N664 PolarHBondContact O-N 3.48Å; S662-N664 VanDerWaalsContact C-N 3.34Å; S662-N664 PolarHBondContact O-N 3.29Å; N664-I667 PolarHBondContact O-N 3.48Å; N664-T668 WeakPolarHBondContact O-CB 3.35Å; N664-T668 WeakPolarHBondContact O-CG2 3.46Å; N664-T668 PolarHBondContact O-N 3.04Å; N664-T668 PolarHBondContact O-OG1 3.18Å
665S83.2Confident79.8Confident52 Ų5281.2 Ų81.236%0.36443%0.43SS..Hα-helixtrans-62.1-43.4174.6179.80000112A661 S662 T668 M669A661-S665 WeakPolarHBondContact O-CB 3.29Å; A661-S665 PolarHBondContact O-N 3.21Å; S662-S665 WeakPolarHBondContact O-CB 3.47Å; S662-S665 PolarHBondContact O-N 2.96Å; S665-T668 WeakPolarHBondContact CA-OG1 3.47Å; S665-T668 PolarHBondContact O-N 3.33Å; S665-T668 PolarHBondContact O-OG1 3.08Å; S665-M669 WeakPolarHBondContact O-CB 3.47Å; S665-M669 WeakPolarHBondContact O-CG 2.97Å; S665-M669 PolarHBondContact O-N 3.49Å
666I77.6Confident79.4Confident39 Ų3985 Ų8520%0.245%0.451CS..Hα-helixtrans-68.5-44.2177.7-69.4162.4000110.7S662 K663 T668 M669 M670 I683 I687S662-I666 WeakPolarHBondContact O-CG1 3.29Å; S662-I666 PolarHBondContact O-N 3.01Å; K663-I666 PolarHBondContact O-N 3.46Å; I666-T668 VanDerWaalsContact C-N 3.28Å; I666-T668 PolarHBondContact O-N 3.27Å; I666-M669 PolarHBondContact O-N 3.39Å; I666-M670 HydrophobicContact CG2-CE 4.31Å; I666-M670 HydrophobicContact CG2-CG 3.89Å; I666-M670 WeakPolarHBondContact O-CB 3.29Å; I666-M670 WeakPolarHBondContact O-CG 3.35Å; I666-M670 PolarHBondContact O-N 2.93Å; I666-I683 HydrophobicContact CD1-CG2 3.82Å; I666-I683 HydrophobicContact CG2-CG2 4.02Å; I666-I687 HydrophobicContact CD1-CD1 3.5Å
667I81.4Confident79.1Confident48 Ų4890.8 Ų90.825%0.24647%0.474CS..Hα-helixtrans-61-39.4177.7-69.7167.6000111K663 N664 K671 I680K663-I667 HydrophobicContact CG-CD1 3.79Å; K663-I667 WeakPolarHBondContact O-CB 3.39Å; K663-I667 VanDerWaalsContact O-CG1 3.25Å; K663-I667 WeakPolarHBondContact O-CG1 3.31Å; K663-I667 PolarHBondContact O-N 2.87Å; N664-I667 PolarHBondContact O-N 3.48Å; I667-K671 HydrophobicContact CG2-CD 4.28Å; I667-K671 HydrophobicContact CG2-CG 4.45Å; I667-K671 WeakPolarHBondContact O-CB 2.92Å; I667-K671 VanDerWaalsContact O-CG 3.28Å; I667-K671 WeakPolarHBondContact O-CG 3.4Å; I667-K671 PolarHBondContact O-N 3.08Å; I667-I680 HydrophobicContact CG1-CG2 4.14Å
668T82.6Confident78.7Confident83 Ų8387 Ų8751%0.50946%0.464SS..Hα-helixtrans-67.9-49176.445.80000111.7N664 S665 I666 M670 K671 D672N664-T668 WeakPolarHBondContact O-CB 3.35Å; N664-T668 WeakPolarHBondContact O-CG2 3.46Å; N664-T668 PolarHBondContact O-N 3.04Å; N664-T668 PolarHBondContact O-OG1 3.18Å; S665-T668 WeakPolarHBondContact CA-OG1 3.47Å; S665-T668 PolarHBondContact O-N 3.33Å; S665-T668 PolarHBondContact O-OG1 3.08Å; I666-T668 VanDerWaalsContact C-N 3.28Å; I666-T668 PolarHBondContact O-N 3.27Å; T668-M670 PolarHBondContact O-N 3.49Å; T668-K671 PolarHBondContact O-N 2.9Å; T668-D672 PolarHBondContact O-N 3.4Å
669M76Confident78.4Confident127 Ų12785.7 Ų85.763%0.62646%0.461SS*.Hα-helixtrans-59.4-33.7175-74.3-175.8177.300113.4S665 I666S665-M669 WeakPolarHBondContact O-CB 3.47Å; S665-M669 WeakPolarHBondContact O-CG 2.97Å; S665-M669 PolarHBondContact O-N 3.49Å; I666-M669 PolarHBondContact O-N 3.39Å
670M73.3Confident78.1Confident31 Ų3186.3 Ų86.315%0.15346%0.462CS..Hα-helixtrans-83.9-30.7-177.7-68.2-87.4-123.400113I666 T668 D672 K673 S674 V675 I679 I680 I683I666-M670 HydrophobicContact CG2-CE 4.31Å; I666-M670 HydrophobicContact CG2-CG 3.89Å; I666-M670 WeakPolarHBondContact O-CB 3.29Å; I666-M670 WeakPolarHBondContact O-CG 3.35Å; I666-M670 PolarHBondContact O-N 2.93Å; T668-M670 PolarHBondContact O-N 3.49Å; M670-D672 PolarHBondContact O-N 3Å; M670-K673 PolarHBondContact O-N 3.43Å; M670-K673 VanDerWaalsContact O-N 3.07Å; M670-S674 PolarHBondContact O-N 2.68Å; M670-V675 HydrophobicContact CB-CB 4.32Å; M670-V675 HydrophobicContact CB-CG2 4.47Å; M670-V675 HydrophobicContact CE-CB 4.47Å; M670-V675 HydrophobicContact CE-CG1 3.89Å; M670-V675 HydrophobicContact SD-CB 3.61Å; M670-V675 HydrophobicContact SD-CG1 3.6Å; M670-V675 VanDerWaalsContact SD-CG1 3.6Å; M670-V675 HydrophobicContact SD-CG2 3.52Å; M670-V675 VanDerWaalsContact SD-CG2 3.52Å; M670-I679 HydrophobicContact CE-CG2 3.94Å; M670-I680 HydrophobicContact CB-CD1 3.94Å; M670-I680 HydrophobicContact CB-CG1 4.06Å; M670-I680 HydrophobicContact CE-CG1 4.03Å; M670-I680 HydrophobicContact CG-CG1 4.29Å; M670-I683 HydrophobicContact CE-CD1 3.24Å
671K70.5Confident78Confident160 Ų16087.4 Ų87.470%0.69647%0.465SS*.Hα-helixtrans-58.9-38.3172.5-87.9179.7177.2-176.60111.1I667 T668 K673I667-K671 HydrophobicContact CG2-CD 4.28Å; I667-K671 HydrophobicContact CG2-CG 4.45Å; I667-K671 WeakPolarHBondContact O-CB 2.92Å; I667-K671 VanDerWaalsContact O-CG 3.28Å; I667-K671 WeakPolarHBondContact O-CG 3.4Å; I667-K671 PolarHBondContact O-N 3.08Å; T668-K671 PolarHBondContact O-N 2.9Å; K671-K673 PolarHBondContact O-N 2.04Å
672D69.7Low77.8Confident148 Ų14889.6 Ų89.679%0.79147%0.465SS*.THydrogen-bonded Turntrans-67.5-19.4176.4-75.1-4.1000113.5T668 M670T668-D672 PolarHBondContact O-N 3.4Å; M670-D672 PolarHBondContact O-N 3Å
673K69.8Low77.7Confident158 Ų15889 Ų8969%0.68746%0.457SS*.THydrogen-bonded Turntrans-112.611.9-172.2-69.1-165.5177.4-1730115.2M670 K671 V675M670-K673 PolarHBondContact O-N 3.43Å; M670-K673 VanDerWaalsContact O-N 3.07Å; K671-K673 PolarHBondContact O-N 2.04Å; K673-V675 HydrophobicContact CB-CG2 3.78Å; K673-V675 PolarHBondContact O-N 3.04Å; K673-V675 VanDerWaalsContact O-N 3.17Å
674S72.4Confident77.7Confident120 Ų12087.4 Ų87.484%0.83945%0.451SS*.THydrogen-bonded Turntrans51.837.1179.462.60000114.1M670M670-S674 PolarHBondContact O-N 2.68Å
675V70.1Confident77.7Confident44 Ų4485.9 Ų85.927%0.26744%0.444SS..  trans-77.4141.6-174.1-176.90000111.5M670 K673 K677 I679M670-V675 HydrophobicContact CB-CB 4.32Å; M670-V675 HydrophobicContact CB-CG2 4.47Å; M670-V675 HydrophobicContact CE-CB 4.47Å; M670-V675 HydrophobicContact CE-CG1 3.89Å; M670-V675 HydrophobicContact SD-CB 3.61Å; M670-V675 HydrophobicContact SD-CG1 3.6Å; M670-V675 VanDerWaalsContact SD-CG1 3.6Å; M670-V675 HydrophobicContact SD-CG2 3.52Å; M670-V675 VanDerWaalsContact SD-CG2 3.52Å; K673-V675 HydrophobicContact CB-CG2 3.78Å; K673-V675 PolarHBondContact O-N 3.04Å; K673-V675 VanDerWaalsContact O-N 3.17Å; V675-K677 PolarHBondContact O-N 2.96Å; V675-I679 HydrophobicContact CG1-CB 4.01Å; V675-I679 HydrophobicContact CG1-CD1 4.03Å; V675-I679 HydrophobicContact CG1-CG2 4.11Å
676N75.9Confident77.8Confident98 Ų9886.2 Ų86.252%0.52444%0.437SS..  trans-52.8130.2179.2-172.4-13000111.5S678 I679 I680N676-S678 PolarHBondContact ND2-OG 3.46Å; N676-S678 VanDerWaalsContact ND2-OG 3.13Å; N676-S678 PolarHBondContact O-N 3.44Å; N676-S678 VanDerWaalsContact O-N 3.09Å; N676-S678 PolarHBondContact OD1-N 3.02Å; N676-S678 PolarHBondContact OD1-OG 3.21Å; N676-I679 HydrophobicContact CB-CD1 4.05Å; N676-I679 HydrophobicContact CB-CG1 4.18Å; N676-I679 PolarHBondContact O-N 3.21Å; N676-I680 PolarHBondContact O-N 3.24Å
677K79.8Confident78.1Confident180 Ų18085.2 Ų85.278%0.78343%0.432SS*.Hα-helixtrans-55.5-27.6177.7-161.5174.5-175.8179.20112.5V675 K681V675-K677 PolarHBondContact O-N 2.96Å; K677-K681 WeakPolarHBondContact O-CB 3.33Å; K677-K681 PolarHBondContact O-N 2.7Å
678S79.5Confident78.3Confident54 Ų5487.4 Ų87.438%0.37844%0.441SS..Hα-helixtrans-66.7-40.5174.669.90000113N676 K681 Q682N676-S678 PolarHBondContact ND2-OG 3.46Å; N676-S678 VanDerWaalsContact ND2-OG 3.13Å; N676-S678 PolarHBondContact O-N 3.44Å; N676-S678 VanDerWaalsContact O-N 3.09Å; N676-S678 PolarHBondContact OD1-N 3.02Å; N676-S678 PolarHBondContact OD1-OG 3.21Å; S678-K681 PolarHBondContact O-N 3.47Å; S678-Q682 WeakPolarHBondContact O-CG 3.35Å; S678-Q682 PolarHBondContact O-N 3.18Å
679I76.5Confident78.4Confident73 Ų7388.1 Ų88.137%0.37444%0.442SS..Hα-helixtrans-68.7-44.3179-61.6172.1000109.1M670 V675 N676 K681 Q682 I683M670-I679 HydrophobicContact CE-CG2 3.94Å; V675-I679 HydrophobicContact CG1-CB 4.01Å; V675-I679 HydrophobicContact CG1-CD1 4.03Å; V675-I679 HydrophobicContact CG1-CG2 4.11Å; N676-I679 HydrophobicContact CB-CD1 4.05Å; N676-I679 HydrophobicContact CB-CG1 4.18Å; N676-I679 PolarHBondContact O-N 3.21Å; I679-K681 VanDerWaalsContact C-N 3.28Å; I679-K681 PolarHBondContact O-N 3Å; I679-Q682 PolarHBondContact O-N 3.03Å; I679-I683 HydrophobicContact CG2-CD1 3.9Å; I679-I683 WeakPolarHBondContact O-CG1 3.46Å; I679-I683 PolarHBondContact O-N 3.09Å
680I77.8Confident78.8Confident32 Ų3282.1 Ų82.116%0.16441%0.412CS..Hα-helixtrans-56.4-47.8174.2-62.1174.3000109.4I667 M670 N676 Q682 I683 T684I667-I680 HydrophobicContact CG1-CG2 4.14Å; M670-I680 HydrophobicContact CB-CD1 3.94Å; M670-I680 HydrophobicContact CB-CG1 4.06Å; M670-I680 HydrophobicContact CE-CG1 4.03Å; M670-I680 HydrophobicContact CG-CG1 4.29Å; N676-I680 PolarHBondContact O-N 3.24Å; I680-Q682 PolarHBondContact O-N 3.35Å; I680-I683 PolarHBondContact O-N 2.61Å; I680-T684 HydrophobicContact CG2-CG2 4.39Å; I680-T684 WeakPolarHBondContact O-CG2 3.44Å; I680-T684 PolarHBondContact O-N 3.39Å; I680-T684 PolarHBondContact O-OG1 3.39Å
681K83.3Confident79.5Confident129 Ų12982.3 Ų82.356%0.56141%0.414SS*.Hα-helixtrans-58.5-46.7177.3-174.7178.2177.2-176.90112.5K677 S678 I679 I683 T684 D685K677-K681 WeakPolarHBondContact O-CB 3.33Å; K677-K681 PolarHBondContact O-N 2.7Å; S678-K681 PolarHBondContact O-N 3.47Å; I679-K681 VanDerWaalsContact C-N 3.28Å; I679-K681 PolarHBondContact O-N 3Å; K681-I683 VanDerWaalsContact C-N 3.27Å; K681-I683 PolarHBondContact O-N 3.3Å; K681-T684 WeakPolarHBondContact CA-OG1 2.98Å; K681-T684 PolarHBondContact O-N 3.26Å; K681-T684 PolarHBondContact O-OG1 3.17Å; K681-D685 WeakPolarHBondContact CE-OD2 3.33Å; K681-D685 WeakPolarHBondContact O-CB 2.96Å; K681-D685 PolarHBondContact O-N 3.08Å
682Q82.1Confident80.1Confident106 Ų10679.7 Ų79.750%0.49540%0.404SS..Hα-helixtrans-60.1-37.9178.4-75.5177.5-1.300112.7S678 I679 I680 R686S678-Q682 WeakPolarHBondContact O-CG 3.35Å; S678-Q682 PolarHBondContact O-N 3.18Å; I679-Q682 PolarHBondContact O-N 3.03Å; I680-Q682 PolarHBondContact O-N 3.35Å; Q682-R686 WeakPolarHBondContact O-CB 3.02Å; Q682-R686 PolarHBondContact O-N 3.36Å; Q682-R686 VanDerWaalsContact O-N 3.16Å; Q682-R686 PolarHBondContact O-NE 3.42Å
683I80.2Confident80.7Confident40 Ų4073.7 Ų73.721%0.20537%0.372CS..Hα-helixtrans-72-42177.9-66.8163000110.6I666 M670 I679 I680 K681 R686 I687I666-I683 HydrophobicContact CD1-CG2 3.82Å; I666-I683 HydrophobicContact CG2-CG2 4.02Å; M670-I683 HydrophobicContact CE-CD1 3.24Å; I679-I683 HydrophobicContact CG2-CD1 3.9Å; I679-I683 WeakPolarHBondContact O-CG1 3.46Å; I679-I683 PolarHBondContact O-N 3.09Å; I680-I683 PolarHBondContact O-N 2.61Å; K681-I683 VanDerWaalsContact C-N 3.27Å; K681-I683 PolarHBondContact O-N 3.3Å; I683-R686 PolarHBondContact O-N 3.09Å; I683-I687 HydrophobicContact CG2-CD1 3.95Å; I683-I687 VanDerWaalsContact O-CG1 3.3Å; I683-I687 WeakPolarHBondContact O-CG1 3.31Å; I683-I687 PolarHBondContact O-N 2.89Å
684T84.1Confident81.4Confident18 Ų1866.9 Ų66.911%0.1134%0.343CS..Hα-helixtrans-65-44.2177.552.60000112.3K663 I680 K681 R686 I687 E688K663-T684 HydrophobicContact CD-CG2 3.71Å; K663-T684 HydrophobicContact CG-CG2 3.76Å; I680-T684 HydrophobicContact CG2-CG2 4.39Å; I680-T684 WeakPolarHBondContact O-CG2 3.44Å; I680-T684 PolarHBondContact O-N 3.39Å; I680-T684 PolarHBondContact O-OG1 3.39Å; K681-T684 WeakPolarHBondContact CA-OG1 2.98Å; K681-T684 PolarHBondContact O-N 3.26Å; K681-T684 PolarHBondContact O-OG1 3.17Å; T684-R686 VanDerWaalsContact C-N 3.28Å; T684-R686 PolarHBondContact O-N 3.43Å; T684-I687 PolarHBondContact O-N 2.97Å; T684-I687 VanDerWaalsContact O-N 3.14Å; T684-E688 PolarHBondContact O-N 3.09Å
685D86.4Confident82Confident64 Ų6463.6 Ų63.634%0.34231%0.313SS..Hα-helixtrans-59.7-42.7177.5-64.7-4.9000109.7K681 I687 E688 D689K681-D685 WeakPolarHBondContact CE-OD2 3.33Å; K681-D685 WeakPolarHBondContact O-CB 2.96Å; K681-D685 PolarHBondContact O-N 3.08Å; D685-I687 PolarHBondContact O-N 3.24Å; D685-E688 PolarHBondContact O-N 3.4Å; D685-D689 WeakPolarHBondContact O-CB 3.3Å; D685-D689 PolarHBondContact O-N 2.98Å
686R85.6Confident82.5Confident58 Ų5862.5 Ų62.522%0.21931%0.306CS..Hα-helixtrans-63.3-35.7175.4-100.2179.2-96.8155.2-19.7114.5Q682 I683 T684 G690 S783 L786 Q787Q682-R686 WeakPolarHBondContact O-CB 3.02Å; Q682-R686 PolarHBondContact O-N 3.36Å; Q682-R686 VanDerWaalsContact O-N 3.16Å; Q682-R686 PolarHBondContact O-NE 3.42Å; I683-R686 PolarHBondContact O-N 3.09Å; T684-R686 VanDerWaalsContact C-N 3.28Å; T684-R686 PolarHBondContact O-N 3.43Å; R686-G690 PolarHBondContact O-N 2.96Å; R686-S783 WeakPolarHBondContact O-CB 3.4Å; R686-L786 HydrophobicContact CG-CB 4.42Å; R686-Q787 VanDerWaalsContact NH1-CG 3.33Å
687I84.3Confident82.6Confident19 Ų1959.5 Ų59.510%0.09729%0.289CS..Hα-helixtrans-68.7-40.9176.4-69.4164.8000109.9A659 I666 I683 T684 D685 L691A659-I687 HydrophobicContact CB-CG2 4.09Å; I666-I687 HydrophobicContact CD1-CD1 3.5Å; I683-I687 HydrophobicContact CG2-CD1 3.95Å; I683-I687 VanDerWaalsContact O-CG1 3.3Å; I683-I687 WeakPolarHBondContact O-CG1 3.31Å; I683-I687 PolarHBondContact O-N 2.89Å; T684-I687 PolarHBondContact O-N 2.97Å; T684-I687 VanDerWaalsContact O-N 3.14Å; D685-I687 PolarHBondContact O-N 3.24Å; I687-L691 VanDerWaalsContact O-CB 3.27Å; I687-L691 WeakPolarHBondContact O-CB 3.19Å; I687-L691 PolarHBondContact O-N 2.96Å
688E85.1Confident82.8Confident94 Ų9452 Ų5244%0.43926%0.257SS..Hα-helixtrans-68.6-43.5178.6-70.8177.5-174.600111.8K663 T684 D685 L691 Q692K663-E688 IonicContact NZ-OE1 3.9Å; K663-E688 PolarHBondContact NZ-OE1 3.04Å; T684-E688 PolarHBondContact O-N 3.09Å; D685-E688 PolarHBondContact O-N 3.4Å; E688-L691 WeakPolarHBondContact O-CB 3.28Å; E688-L691 PolarHBondContact O-N 3.37Å; E688-Q692 PolarHBondContact O-N 3.33Å
689D84.7Confident82.9Confident98 Ų9850 Ų5052%0.52424%0.242SC..Hα-helixtrans-66.2-40.9174.7-70.4-22.9000111.6D685 Q692 V693 L786D685-D689 WeakPolarHBondContact O-CB 3.3Å; D685-D689 PolarHBondContact O-N 2.98Å; D689-Q692 WeakPolarHBondContact O-CB 2.98Å; D689-Q692 PolarHBondContact O-N 2.99Å; D689-V693 PolarHBondContact O-N 2.91Å; D689-L786 HydrophobicContact CB-CD1 3.47Å; D689-L786 VanDerWaalsContact CB-CD1 3.47Å
690G84.9Confident83.1Confident1 Ų149.4 Ų49.41%0.0124%0.235CC..Hα-helixtrans-63.5-41176.700000112.8R686 Q692 V693 E694 G782R686-G690 PolarHBondContact O-N 2.96Å; G690-Q692 VanDerWaalsContact C-N 3.27Å; G690-Q692 PolarHBondContact O-N 3.03Å; G690-V693 WeakPolarHBondContact O-CB 3.34Å; G690-V693 PolarHBondContact O-N 3.3Å; G690-V693 VanDerWaalsContact O-N 3.14Å; G690-E694 PolarHBondContact O-N 3.43Å; G690-G782 VanDerWaalsContact CA-C 3.44Å
691L86.4Confident83.3Confident35 Ų3550.4 Ų50.418%0.18324%0.24CC..Hα-helixtrans-57.1-41.8173.5170.466.4000111.5M655 I656 A659 I687 E688 V693 E694 Y695M655-L691 HydrophobicContact CB-CD1 3.48Å; M655-L691 VanDerWaalsContact CB-CD1 3.48Å; M655-L691 HydrophobicContact CG-CD1 4.43Å; M655-L691 HydrophobicContact SD-CD1 4.27Å; I656-L691 HydrophobicContact CG1-CD2 4.09Å; A659-L691 HydrophobicContact CB-CD1 4.26Å; A659-L691 HydrophobicContact CB-CD2 3.98Å; A659-L691 HydrophobicContact CB-CG 4.5Å; I687-L691 VanDerWaalsContact O-CB 3.27Å; I687-L691 WeakPolarHBondContact O-CB 3.19Å; I687-L691 PolarHBondContact O-N 2.96Å; E688-L691 WeakPolarHBondContact O-CB 3.28Å; E688-L691 PolarHBondContact O-N 3.37Å; L691-V693 VanDerWaalsContact C-N 3.32Å; L691-V693 PolarHBondContact O-N 3.14Å; L691-E694 PolarHBondContact O-N 2.92Å; L691-Y695 WeakPolarHBondContact O-CB 3.41Å; L691-Y695 PolarHBondContact O-N 3.27Å
692Q84.7Confident83.4Confident104 Ų10444.4 Ų44.449%0.48621%0.214SC..Hα-helixtrans-64.8-37178.2-175.166.6-3.900111.8E688 D689 G690 N696E688-Q692 PolarHBondContact O-N 3.33Å; D689-Q692 WeakPolarHBondContact O-CB 2.98Å; D689-Q692 PolarHBondContact O-N 2.99Å; G690-Q692 VanDerWaalsContact C-N 3.27Å; G690-Q692 PolarHBondContact O-N 3.03Å; Q692-N696 PolarHBondContact O-N 2.85Å; Q692-N696 VanDerWaalsContact O-N 3.15Å; Q692-N696 PolarHBondContact O-ND2 3.39Å
693V81.3Confident83.3Confident22 Ų2239.6 Ų39.613%0.13319%0.191CC..Hα-helixtrans-65.4-49.7175.1175.20000110.8I616 D689 G690 L691 Y695 N696 I697I616-V693 HydrophobicContact CD1-CG1 4.06Å; D689-V693 PolarHBondContact O-N 2.91Å; G690-V693 WeakPolarHBondContact O-CB 3.34Å; G690-V693 PolarHBondContact O-N 3.3Å; G690-V693 VanDerWaalsContact O-N 3.14Å; L691-V693 VanDerWaalsContact C-N 3.32Å; L691-V693 PolarHBondContact O-N 3.14Å; V693-Y695 VanDerWaalsContact C-N 3.34Å; V693-Y695 PolarHBondContact O-N 2.96Å; V693-N696 PolarHBondContact O-N 3.43Å; V693-I697 HydrophobicContact CG1-CD1 3.99Å; V693-I697 WeakPolarHBondContact O-CG1 3.37Å; V693-I697 PolarHBondContact O-N 3.11Å; V693-I697 VanDerWaalsContact O-N 3.11Å
694E84.5Confident83.3Confident15 Ų1540.9 Ų40.97%0.0720%0.201CC..Hα-helixtrans-59-44.7178.9-71.9176.8-167.800111.8M655 G690 L691 N696 I697 E698 L772 G780 F781 G782M655-E694 HydrophobicContact CE-CB 4.44Å; M655-E694 HydrophobicContact SD-CB 4.43Å; G690-E694 PolarHBondContact O-N 3.43Å; L691-E694 PolarHBondContact O-N 2.92Å; E694-N696 VanDerWaalsContact C-N 3.34Å; E694-N696 PolarHBondContact O-N 2.93Å; E694-I697 PolarHBondContact O-N 3.19Å; E694-E698 PolarHBondContact O-N 2.88Å; E694-L772 HydrophobicContact CB-CD2 4.21Å; E694-G780 VanDerWaalsContact OE1-CA 3.22Å; E694-G780 WeakPolarHBondContact OE1-CA 3.49Å; E694-G780 PolarHBondContact OE1-N 2.99Å; E694-F781 PolarHBondContact OE1-N 2.98Å; E694-G782 PolarHBondContact OE1-N 3.37Å
695Y84.9Confident83.4Confident52 Ų5241.7 Ų41.720%0.20421%0.208CC..Hα-helixtrans-59.3-43.1176.6177.1-108.3000112.4K652 M655 L691 V693 I697 E698 T699K652-Y695 HydrophobicContact CB-CD2 4.01Å; K652-Y695 HydrophobicContact CB-CE2 3.58Å; K652-Y695 HydrophobicContact CD-CD2 4.49Å; K652-Y695 HydrophobicContact CD-CE2 3.9Å; K652-Y695 HydrophobicContact CG-CD2 4.01Å; K652-Y695 HydrophobicContact CG-CE2 3.76Å; M655-Y695 HydrophobicContact SD-CD2 4.35Å; L691-Y695 WeakPolarHBondContact O-CB 3.41Å; L691-Y695 PolarHBondContact O-N 3.27Å; V693-Y695 VanDerWaalsContact C-N 3.34Å; V693-Y695 PolarHBondContact O-N 2.96Å; Y695-I697 VanDerWaalsContact C-N 3.33Å; Y695-I697 PolarHBondContact O-N 3.24Å; Y695-E698 PolarHBondContact O-N 3.32Å; Y695-T699 HydrophobicContact CD1-CG2 4.41Å; Y695-T699 HydrophobicContact CD2-CG2 3.88Å; Y695-T699 HydrophobicContact CE1-CG2 3.98Å; Y695-T699 HydrophobicContact CE2-CG2 3.37Å; Y695-T699 HydrophobicContact CG-CG2 4.37Å; Y695-T699 VanDerWaalsContact CZ-CG2 3.44Å; Y695-T699 WeakPolarHBondContact O-CB 3.41Å; Y695-T699 VanDerWaalsContact O-CG2 3.29Å; Y695-T699 WeakPolarHBondContact O-CG2 3.45Å; Y695-T699 PolarHBondContact O-N 3.4Å; Y695-T699 PolarHBondContact O-OG1 2.96Å
696N80.3Confident83.3Confident21 Ų2138.7 Ų38.711%0.11219%0.191CC..Hα-helixtrans-65.1-36.1177.8-71-39.3000112.5K620 Q692 V693 E694 T699 R700K620-N696 VanDerWaalsContact CE-ND2 3.28Å; K620-N696 WeakPolarHBondContact CE-ND2 2.88Å; Q692-N696 PolarHBondContact O-N 2.85Å; Q692-N696 VanDerWaalsContact O-N 3.15Å; Q692-N696 PolarHBondContact O-ND2 3.39Å; V693-N696 PolarHBondContact O-N 3.43Å; E694-N696 VanDerWaalsContact C-N 3.34Å; E694-N696 PolarHBondContact O-N 2.93Å; N696-T699 WeakPolarHBondContact CA-OG1 3.39Å; N696-T699 PolarHBondContact O-OG1 2.69Å; N696-R700 WeakPolarHBondContact O-CB 3.32Å; N696-R700 PolarHBondContact O-N 3.37Å; N696-R700 VanDerWaalsContact O-N 3.13Å
697I79.5Confident83.2Confident35 Ų3537.2 Ų37.218%0.17919%0.189CC..Hα-helixtrans-70.5-49.2177.6-62.7168.8000109.8V693 E694 Y695 T699 R700 M701 L772 F781V693-I697 HydrophobicContact CG1-CD1 3.99Å; V693-I697 WeakPolarHBondContact O-CG1 3.37Å; V693-I697 PolarHBondContact O-N 3.11Å; V693-I697 VanDerWaalsContact O-N 3.11Å; E694-I697 PolarHBondContact O-N 3.19Å; Y695-I697 VanDerWaalsContact C-N 3.33Å; Y695-I697 PolarHBondContact O-N 3.24Å; I697-T699 PolarHBondContact O-N 3.09Å; I697-R700 WeakPolarHBondContact O-CB 3.42Å; I697-R700 PolarHBondContact O-N 3.38Å; I697-M701 HydrophobicContact CG2-CE 4.04Å; I697-M701 HydrophobicContact CG2-SD 4.09Å; I697-M701 WeakPolarHBondContact O-CG 3.4Å; I697-M701 PolarHBondContact O-N 2.9Å; I697-L772 HydrophobicContact CB-CD1 4.29Å; I697-L772 HydrophobicContact CG2-CD1 3.61Å; I697-F781 HydrophobicContact CD1-CE1 4.49Å
698E82.4Confident83.2Confident21 Ų2141.9 Ų41.910%0.09821%0.208CC..Hα-helixtrans-63-45.8-179.1-179.7151.7-175.200111.5A651 M655 E694 Y695 R700 M701 Q702 L772A651-E698 HydrophobicContact CB-CG 4.46Å; M655-E698 HydrophobicContact CE-CB 3.48Å; M655-E698 VanDerWaalsContact CE-CB 3.48Å; M655-E698 HydrophobicContact CE-CG 3.98Å; M655-E698 WeakPolarHBondContact CE-OE2 3.29Å; E694-E698 PolarHBondContact O-N 2.88Å; Y695-E698 PolarHBondContact O-N 3.32Å; E698-R700 VanDerWaalsContact C-N 3.32Å; E698-R700 PolarHBondContact O-N 3.45Å; E698-M701 PolarHBondContact O-N 3.39Å; E698-M701 VanDerWaalsContact O-N 3.13Å; E698-Q702 HydrophobicContact CG-CG 4.06Å; E698-Q702 WeakPolarHBondContact O-CB 3.37Å; E698-Q702 VanDerWaalsContact O-CG 3.28Å; E698-Q702 WeakPolarHBondContact O-CG 2.94Å; E698-Q702 PolarHBondContact O-N 2.99Å; E698-Q702 PolarHBondContact OE1-NE2 2.58Å; E698-L772 HydrophobicContact CB-CB 4.19Å; E698-L772 HydrophobicContact CB-CD2 4.31Å; E698-L772 HydrophobicContact CG-CB 4.4Å
699T81.6Confident83.2Confident12 Ų1238.9 Ų38.97%0.07419%0.193CC..Hα-helixtrans-61-39.3175.949.30000112.3A648 Y695 N696 I697 T703A648-T699 HydrophobicContact CB-CG2 4.25Å; Y695-T699 HydrophobicContact CD1-CG2 4.41Å; Y695-T699 HydrophobicContact CD2-CG2 3.88Å; Y695-T699 HydrophobicContact CE1-CG2 3.98Å; Y695-T699 HydrophobicContact CE2-CG2 3.37Å; Y695-T699 HydrophobicContact CG-CG2 4.37Å; Y695-T699 VanDerWaalsContact CZ-CG2 3.44Å; Y695-T699 WeakPolarHBondContact O-CB 3.41Å; Y695-T699 VanDerWaalsContact O-CG2 3.29Å; Y695-T699 WeakPolarHBondContact O-CG2 3.45Å; Y695-T699 PolarHBondContact O-N 3.4Å; Y695-T699 PolarHBondContact O-OG1 2.96Å; N696-T699 WeakPolarHBondContact CA-OG1 3.39Å; N696-T699 PolarHBondContact O-OG1 2.69Å; I697-T699 PolarHBondContact O-N 3.09Å; T699-T703 VanDerWaalsContact O-CB 3.27Å; T699-T703 WeakPolarHBondContact O-CB 3.34Å; T699-T703 PolarHBondContact O-N 3.43Å; T699-T703 PolarHBondContact O-OG1 3.13Å
700R80.6Confident83.1Confident62 Ų6236 Ų3623%0.23418%0.176CC..Hα-helixtrans-57.9-50.4171.2170.2166-180-179.92.9112.2E615 A619 M622 V623 N696 I697 E698 T704E615-R700 PolarHBondContact O-NH1 3.36Å; E615-R700 IonicContact OE2-NH1 3.64Å; A619-R700 VanDerWaalsContact CA-CD 3.42Å; A619-R700 HydrophobicContact CB-CB 4.28Å; A619-R700 HydrophobicContact CB-CG 4.32Å; M622-R700 PolarHBondContact SD-NH2 2.92Å; V623-R700 HydrophobicContact CG2-CB 3.69Å; V623-R700 HydrophobicContact CG2-CG 4.39Å; N696-R700 WeakPolarHBondContact O-CB 3.32Å; N696-R700 PolarHBondContact O-N 3.37Å; N696-R700 VanDerWaalsContact O-N 3.13Å; I697-R700 WeakPolarHBondContact O-CB 3.42Å; I697-R700 PolarHBondContact O-N 3.38Å; E698-R700 VanDerWaalsContact C-N 3.32Å; E698-R700 PolarHBondContact O-N 3.45Å; R700-T704 WeakPolarHBondContact O-CB 3.21Å; R700-T704 PolarHBondContact O-N 3.26Å; R700-T704 PolarHBondContact O-OG1 3.35Å
701M82.9Confident82.9Confident53 Ų5337.9 Ų37.926%0.26119%0.187SC..Hα-helixtrans-63.7-47-176.7-73.2178.6165.200111.1I697 E698 C705 S771 L772 I775I697-M701 HydrophobicContact CG2-CE 4.04Å; I697-M701 HydrophobicContact CG2-SD 4.09Å; I697-M701 WeakPolarHBondContact O-CG 3.4Å; I697-M701 PolarHBondContact O-N 2.9Å; E698-M701 PolarHBondContact O-N 3.39Å; E698-M701 VanDerWaalsContact O-N 3.13Å; M701-C705 WeakPolarHBondContact O-CB 3.35Å; M701-C705 PolarHBondContact O-N 3.35Å; M701-S771 WeakPolarHBondContact CB-OG 3.46Å; M701-L772 HydrophobicContact SD-CD1 4.37Å; M701-I775 HydrophobicContact CE-CD1 3.34Å; M701-I775 HydrophobicContact SD-CD1 3.6Å
702Q84.6Confident82.8Confident3 Ų342.9 Ų42.91%0.01420%0.204CC..Hα-helixtrans-59.3-53.9176.9-70.3-178.6-4.100111.6E698 T704 C705 M706 C768E698-Q702 HydrophobicContact CG-CG 4.06Å; E698-Q702 WeakPolarHBondContact O-CB 3.37Å; E698-Q702 VanDerWaalsContact O-CG 3.28Å; E698-Q702 WeakPolarHBondContact O-CG 2.94Å; E698-Q702 PolarHBondContact O-N 2.99Å; E698-Q702 PolarHBondContact OE1-NE2 2.58Å; Q702-T704 PolarHBondContact O-N 3.36Å; Q702-C705 PolarHBondContact O-N 3.39Å; Q702-M706 WeakPolarHBondContact O-CB 3.28Å; Q702-M706 VanDerWaalsContact O-CG 3.25Å; Q702-M706 WeakPolarHBondContact O-CG 3.39Å; Q702-M706 PolarHBondContact O-N 3.47Å; Q702-C768 WeakPolarHBondContact CG-O 3.41Å
703T81.3Confident82.5Confident4 Ų438.8 Ų38.83%0.02519%0.188CC..Hα-helixtrans-64.7-40-177.3-55.50000111.6A626 E627 L630 T699 M706 V707A626-T703 HydrophobicContact CB-CG2 3.54Å; E627-T703 HydrophobicContact CG-CG2 4.07Å; L630-T703 HydrophobicContact CD1-CG2 3.74Å; T699-T703 VanDerWaalsContact O-CB 3.27Å; T699-T703 WeakPolarHBondContact O-CB 3.34Å; T699-T703 PolarHBondContact O-N 3.43Å; T699-T703 PolarHBondContact O-OG1 3.13Å; T703-M706 PolarHBondContact O-N 3.4Å; T703-V707 WeakPolarHBondContact O-CG2 3.17Å; T703-V707 PolarHBondContact O-N 3.42Å
704T80.5Confident82.5Confident67 Ų6743.4 Ų43.441%0.41121%0.209SC..Hα-helixtrans-66.3-43.9177.2-53.60000111.3R700 Q702 M706 V707 F708R700-T704 WeakPolarHBondContact O-CB 3.21Å; R700-T704 PolarHBondContact O-N 3.26Å; R700-T704 PolarHBondContact O-OG1 3.35Å; Q702-T704 PolarHBondContact O-N 3.36Å; T704-M706 VanDerWaalsContact C-N 3.33Å; T704-M706 PolarHBondContact O-N 2.89Å; T704-V707 PolarHBondContact O-N 2.94Å; T704-F708 PolarHBondContact O-N 3.1Å
705C85.7Confident82.4Confident36 Ų3647.9 Ų47.924%0.24323%0.233CC..Hα-helixtrans-59.3-44.6175.1-178.50000111M701 Q702 V707 F708 Y709 C768M701-C705 WeakPolarHBondContact O-CB 3.35Å; M701-C705 PolarHBondContact O-N 3.35Å; Q702-C705 PolarHBondContact O-N 3.39Å; C705-V707 PolarHBondContact O-N 3.34Å; C705-F708 WeakPolarHBondContact O-CB 3.33Å; C705-F708 PolarHBondContact O-N 3.38Å; C705-F708 VanDerWaalsContact O-N 3.16Å; C705-Y709 WeakPolarHBondContact O-CD2 3.03Å; C705-Y709 PolarHBondContact O-N 2.86Å; C705-C768 HydrophobicContact CB-CB 3.7Å; C705-C768 WeakPolarHBondContact CB-SG 3.37Å; C705-C768 WeakPolarHBondContact SG-CA 3.19Å; C705-C768 WeakPolarHBondContact SG-CB 3.43Å; C705-C768 CovalentContact SG-SG 2.04Å; C705-C768 PolarHBondContact SG-SG 2.94Å
706M84.7Confident82.3Confident0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-64.8-37.9177.2-70.3-64.4-77.700112.9Y640 M643 M647 Q702 T703 T704 Y709 K710 L761 A764 C768Y640-M706 HydrophobicContact CD1-CE 4.14Å; Y640-M706 VanDerWaalsContact O-CE 3.26Å; Y640-M706 WeakPolarHBondContact O-CE 3.28Å; M643-M706 HydrophobicContact CB-CE 3.97Å; M643-M706 HydrophobicContact CG-CE 4.46Å; M647-M706 HydrophobicContact SD-CE 4.44Å; M647-M706 HydrophobicContact SD-SD 4.24Å; Q702-M706 WeakPolarHBondContact O-CB 3.28Å; Q702-M706 VanDerWaalsContact O-CG 3.25Å; Q702-M706 WeakPolarHBondContact O-CG 3.39Å; Q702-M706 PolarHBondContact O-N 3.47Å; T703-M706 PolarHBondContact O-N 3.4Å; T704-M706 VanDerWaalsContact C-N 3.33Å; T704-M706 PolarHBondContact O-N 2.89Å; M706-Y709 PolarHBondContact O-N 3.19Å; M706-K710 WeakPolarHBondContact O-CB 3.42Å; M706-K710 PolarHBondContact O-N 2.03Å; M706-L761 HydrophobicContact CE-CD1 4.21Å; M706-A764 HydrophobicContact SD-CB 4.11Å; M706-C768 HydrophobicContact CG-CB 4.27Å; M706-C768 HydrophobicContact SD-CB 4.16Å
707V82.9Confident82.4Confident27 Ų2752.1 Ų52.116%0.16426%0.256CS..Hα-helixtrans-63.2-41.3171.9168.10000111.5A626 F629 L630 T703 T704 C705 K710 T711A626-V707 HydrophobicContact CB-CG2 3.77Å; F629-V707 HydrophobicContact CD1-CG1 4.39Å; L630-V707 HydrophobicContact CD1-CG2 4.01Å; L630-V707 HydrophobicContact CD2-CG2 4.21Å; L630-V707 HydrophobicContact CG-CG2 3.77Å; T703-V707 WeakPolarHBondContact O-CG2 3.17Å; T703-V707 PolarHBondContact O-N 3.42Å; T704-V707 PolarHBondContact O-N 2.94Å; C705-V707 PolarHBondContact O-N 3.34Å; V707-K710 PolarHBondContact O-N 2.97Å; V707-T711 HydrophobicContact CG1-CG2 4.32Å; V707-T711 WeakPolarHBondContact O-CB 3.48Å; V707-T711 WeakPolarHBondContact O-CG2 3.35Å; V707-T711 PolarHBondContact O-N 3.46Å; V707-T711 PolarHBondContact O-OG1 3.2Å
708F83.5Confident82.6Confident117 Ų11756 Ų5651%0.51327%0.273SS..Hα-helixtrans-62.6-43.4177.3-175.3-103.1000111.8T704 C705 T711 R712T704-F708 PolarHBondContact O-N 3.1Å; C705-F708 WeakPolarHBondContact O-CB 3.33Å; C705-F708 PolarHBondContact O-N 3.38Å; C705-F708 VanDerWaalsContact O-N 3.16Å; F708-T711 WeakPolarHBondContact CA-OG1 3.48Å; F708-T711 PolarHBondContact O-N 3.36Å; F708-T711 PolarHBondContact O-OG1 3.46Å; F708-R712 HydrophobicContact CE1-CG 4.3Å; F708-R712 HydrophobicContact CZ-CG 4.38Å; F708-R712 WeakPolarHBondContact O-CG 3.28Å; F708-R712 PolarHBondContact O-N 2.99Å
709Y85.3Confident82.7Confident31 Ų3157.9 Ų57.912%0.12229%0.289CS..Hα-helixtrans-66-43.7175.2-88.5-76.2000112.8C705 M706 T711 R712 A713 A764 Q767C705-Y709 WeakPolarHBondContact O-CD2 3.03Å; C705-Y709 PolarHBondContact O-N 2.86Å; M706-Y709 PolarHBondContact O-N 3.19Å; Y709-T711 VanDerWaalsContact C-N 3.35Å; Y709-T711 PolarHBondContact O-N 3.35Å; Y709-R712 PolarHBondContact O-N 3.26Å; Y709-A713 WeakPolarHBondContact O-CB 3.36Å; Y709-A713 PolarHBondContact O-N 3.31Å; Y709-A764 HydrophobicContact CD1-CB 3.79Å; Y709-A764 HydrophobicContact CD2-CB 3.75Å; Y709-A764 HydrophobicContact CE1-CB 4.43Å; Y709-A764 HydrophobicContact CE2-CB 4.38Å; Y709-A764 HydrophobicContact CG-CB 3.43Å; Y709-A764 VanDerWaalsContact CG-CB 3.43Å; Y709-Q767 HydrophobicContact CE2-CB 4.44Å; Y709-Q767 PolarHBondContact OH-OE1 3.38Å
710K81.8Confident82.8Confident39 Ų3958.3 Ų58.317%0.1729%0.292CS..Hα-helixtrans-58.4-45.6174.3177.9179.5173.4-177.30111.7F629 L630 N638 Y640 M706 V707 A713 M714F629-K710 PolarHBondContact O-NZ 2.77Å; L630-K710 HydrophobicContact CD2-CB 4.46Å; L630-K710 HydrophobicContact CD2-CD 3.81Å; L630-K710 PolarHBondContact O-NZ 3.14Å; N638-K710 PolarHBondContact ND2-NZ 3.17Å; Y640-K710 HydrophobicContact CD1-CB 4.17Å; Y640-K710 HydrophobicContact CD2-CB 4.36Å; Y640-K710 HydrophobicContact CD2-CG 4.44Å; Y640-K710 HydrophobicContact CG-CB 4.02Å; Y640-K710 HydrophobicContact CG-CG 4.47Å; M706-K710 WeakPolarHBondContact O-CB 3.42Å; M706-K710 PolarHBondContact O-N 2.03Å; V707-K710 PolarHBondContact O-N 2.97Å; K710-A713 PolarHBondContact O-N 3.39Å; K710-M714 WeakPolarHBondContact O-CB 3.37Å; K710-M714 PolarHBondContact O-N 3.49Å
711T81.9Confident82.9Confident39 Ų3959 Ų5924%0.23930%0.3CS..Hα-helixtrans-65.2-42.7-179.744.60000111.5F629 V707 F708 Y709 A713 M714 I715F629-T711 HydrophobicContact CE1-CG2 4.01Å; V707-T711 HydrophobicContact CG1-CG2 4.32Å; V707-T711 WeakPolarHBondContact O-CB 3.48Å; V707-T711 WeakPolarHBondContact O-CG2 3.35Å; V707-T711 PolarHBondContact O-N 3.46Å; V707-T711 PolarHBondContact O-OG1 3.2Å; F708-T711 WeakPolarHBondContact CA-OG1 3.48Å; F708-T711 PolarHBondContact O-N 3.36Å; F708-T711 PolarHBondContact O-OG1 3.46Å; Y709-T711 VanDerWaalsContact C-N 3.35Å; Y709-T711 PolarHBondContact O-N 3.35Å; T711-A713 PolarHBondContact O-N 2.01Å; T711-M714 PolarHBondContact O-N 2.66Å; T711-I715 WeakPolarHBondContact O-CB 3.37Å; T711-I715 VanDerWaalsContact O-CG1 3.25Å; T711-I715 WeakPolarHBondContact O-CG1 3.48Å; T711-I715 PolarHBondContact O-N 3.44Å
712R83.4Confident82.9Confident141 Ų14163.1 Ų63.153%0.53232%0.316SS..Hα-helixtrans-59.8-44.2172.9-74-17971.1-176.76.1112.4F708 Y709 M714 I715 C716F708-R712 HydrophobicContact CE1-CG 4.3Å; F708-R712 HydrophobicContact CZ-CG 4.38Å; F708-R712 WeakPolarHBondContact O-CG 3.28Å; F708-R712 PolarHBondContact O-N 2.99Å; Y709-R712 PolarHBondContact O-N 3.26Å; R712-M714 VanDerWaalsContact C-N 3.33Å; R712-M714 PolarHBondContact O-N 3.43Å; R712-I715 PolarHBondContact O-N 3.26Å; R712-C716 WeakPolarHBondContact O-CB 3.34Å; R712-C716 PolarHBondContact O-N 3.3Å
713A79.7Confident82.9Confident17 Ų1765.8 Ų65.814%0.1434%0.339CS..Hα-helixtrans-62.3-40.8176.400000111.9Y640 Y709 K710 T711 C716 K717Y640-A713 HydrophobicContact CE2-CB 4.42Å; Y709-A713 WeakPolarHBondContact O-CB 3.36Å; Y709-A713 PolarHBondContact O-N 3.31Å; K710-A713 PolarHBondContact O-N 3.39Å; T711-A713 PolarHBondContact O-N 2.01Å; A713-C716 WeakPolarHBondContact O-CB 3.3Å; A713-C716 PolarHBondContact O-N 2.96Å; A713-K717 PolarHBondContact O-N 2.7Å
714M80Confident83Confident120 Ų12065.8 Ų65.859%0.59134%0.339SS*.Hα-helixtrans-65.7-43.9177.3-162.9177.4-161.500112.1K710 T711 R712 K717 Q718K710-M714 WeakPolarHBondContact O-CB 3.37Å; K710-M714 PolarHBondContact O-N 3.49Å; T711-M714 PolarHBondContact O-N 2.66Å; R712-M714 VanDerWaalsContact C-N 3.33Å; R712-M714 PolarHBondContact O-N 3.43Å; M714-K717 PolarHBondContact O-N 3.06Å; M714-Q718 WeakPolarHBondContact O-CB 3.45Å; M714-Q718 PolarHBondContact O-N 2.88Å
715I82.6Confident83.1Confident109 Ų10964.9 Ų64.956%0.55934%0.335SS*.Hα-helixtrans-62.3-43.2175-68.1165000110.4T711 R712 K717 Q718 S719T711-I715 WeakPolarHBondContact O-CB 3.37Å; T711-I715 VanDerWaalsContact O-CG1 3.25Å; T711-I715 WeakPolarHBondContact O-CG1 3.48Å; T711-I715 PolarHBondContact O-N 3.44Å; R712-I715 PolarHBondContact O-N 3.26Å; I715-K717 PolarHBondContact O-N 2.92Å; I715-Q718 PolarHBondContact O-N 2.8Å; I715-S719 VanDerWaalsContact O-CB 3.28Å; I715-S719 WeakPolarHBondContact O-CB 3.39Å; I715-S719 PolarHBondContact O-N 3.43Å; I715-S719 PolarHBondContact O-OG 3.05Å
716C83.7Confident83Confident43 Ų4372 Ų7229%0.29136%0.357SS..Hα-helixtrans-57.5-49.7174.4-174.10000110.9R712 A713 Q718 S719 S720 C755R712-C716 WeakPolarHBondContact O-CB 3.34Å; R712-C716 PolarHBondContact O-N 3.3Å; A713-C716 WeakPolarHBondContact O-CB 3.3Å; A713-C716 PolarHBondContact O-N 2.96Å; C716-Q718 PolarHBondContact O-N 2.82Å; C716-S719 WeakPolarHBondContact CA-OG 2.95Å; C716-S719 PolarHBondContact O-N 3.34Å; C716-S719 PolarHBondContact O-OG 2.94Å; C716-S720 VanDerWaalsContact O-CB 3.28Å; C716-S720 WeakPolarHBondContact O-CB 3.4Å; C716-S720 PolarHBondContact O-N 3.25Å; C716-S720 PolarHBondContact O-OG 3.26Å; C716-C755 HydrophobicContact CB-CB 4.05Å; C716-C755 WeakPolarHBondContact CB-SG 3.25Å; C716-C755 PolarHBondContact O-SG 3.19Å; C716-C755 WeakPolarHBondContact SG-CB 3.21Å; C716-C755 CovalentContact SG-SG 2.05Å; C716-C755 PolarHBondContact SG-SG 3.17Å
717K81Confident83Confident119 Ų11976 Ų7652%0.51738%0.378SS..Hα-helixtrans-61.6-44.6-179.6-169173.8-177.3174.20111.6A713 M714 I715 S720 I721 I749A713-K717 PolarHBondContact O-N 2.7Å; M714-K717 PolarHBondContact O-N 3.06Å; I715-K717 PolarHBondContact O-N 2.92Å; K717-S720 PolarHBondContact O-N 2.89Å; K717-I721 HydrophobicContact CG-CD1 4.21Å; K717-I721 WeakPolarHBondContact O-CD1 3.15Å; K717-I721 VanDerWaalsContact O-CG1 3.23Å; K717-I721 WeakPolarHBondContact O-CG1 3.28Å; K717-I721 PolarHBondContact O-N 3.43Å; K717-I749 HydrophobicContact CG-CG2 4.42Å
718Q84.1Confident83Confident116 Ų11676.4 Ų76.454%0.54238%0.378SS..Hα-helixtrans-69.2-42.3-179.4-169.9177.19.300112.8M714 I715 C716 S720 I721 K722M714-Q718 WeakPolarHBondContact O-CB 3.45Å; M714-Q718 PolarHBondContact O-N 2.88Å; I715-Q718 PolarHBondContact O-N 2.8Å; C716-Q718 PolarHBondContact O-N 2.82Å; Q718-S720 VanDerWaalsContact C-N 3.34Å; Q718-I721 PolarHBondContact O-N 3.18Å; Q718-K722 PolarHBondContact O-N 3.25Å
719S84.4Confident83Confident61 Ų6175.4 Ų75.443%0.42738%0.382SS..Hα-helixtrans-64.2-40175.554.80000111.4I715 C716 K722 A723I715-S719 VanDerWaalsContact O-CB 3.28Å; I715-S719 WeakPolarHBondContact O-CB 3.39Å; I715-S719 PolarHBondContact O-N 3.43Å; I715-S719 PolarHBondContact O-OG 3.05Å; C716-S719 WeakPolarHBondContact CA-OG 2.95Å; C716-S719 PolarHBondContact O-N 3.34Å; C716-S719 PolarHBondContact O-OG 2.94Å; S719-K722 PolarHBondContact O-N 3.47Å; S719-A723 WeakPolarHBondContact O-CB 3.4Å; S719-A723 PolarHBondContact O-N 3.48Å
720S84Confident82.9Confident20 Ų2078.7 Ų78.714%0.1440%0.4CS..Hα-helixtrans-63.1-42.2173.9-59.60000111.9C716 K717 Q718 A723 C724 I749 C755C716-S720 VanDerWaalsContact O-CB 3.28Å; C716-S720 WeakPolarHBondContact O-CB 3.4Å; C716-S720 PolarHBondContact O-N 3.25Å; C716-S720 PolarHBondContact O-OG 3.26Å; K717-S720 PolarHBondContact O-N 2.89Å; Q718-S720 VanDerWaalsContact C-N 3.34Å; S720-A723 WeakPolarHBondContact O-CB 3.04Å; S720-A723 PolarHBondContact O-N 2.96Å; S720-C724 PolarHBondContact O-N 3.26Å; S720-I749 VanDerWaalsContact CB-CD1 3.49Å; S720-I749 WeakPolarHBondContact O-CD1 3.37Å; S720-C755 PolarHBondContact OG-SG 3.48Å
721I82.9Confident82.8Confident76 Ų7679.2 Ų79.239%0.3941%0.405SS..Hα-helixtrans-61.7-45.5174.8-70.2164.3000110.9K717 Q718 A723 C724 S725 L746 I749K717-I721 HydrophobicContact CG-CD1 4.21Å; K717-I721 WeakPolarHBondContact O-CD1 3.15Å; K717-I721 VanDerWaalsContact O-CG1 3.23Å; K717-I721 WeakPolarHBondContact O-CG1 3.28Å; K717-I721 PolarHBondContact O-N 3.43Å; Q718-I721 PolarHBondContact O-N 3.18Å; I721-A723 VanDerWaalsContact C-N 3.29Å; I721-A723 PolarHBondContact O-N 3.02Å; I721-C724 WeakPolarHBondContact O-CB 2.97Å; I721-C724 PolarHBondContact O-N 3.17Å; I721-S725 PolarHBondContact O-N 3.47Å; I721-S725 PolarHBondContact O-OG 2.9Å; I721-L746 HydrophobicContact CB-CD2 4.35Å; I721-L746 HydrophobicContact CG1-CD2 3.78Å; I721-L746 HydrophobicContact CG2-CD2 4.16Å; I721-I749 HydrophobicContact CG1-CD1 4.33Å
722K83.5Confident82.8Confident141 Ų14180.6 Ų80.661%0.61341%0.41SS*.Hα-helixtrans-60.5-39.7174.3-92.5-176.2175.4178.90111.9Q718 S719 S725 R726Q718-K722 PolarHBondContact O-N 3.25Å; S719-K722 PolarHBondContact O-N 3.47Å; K722-S725 WeakPolarHBondContact CA-OG 2.98Å; K722-S725 PolarHBondContact O-N 3.21Å; K722-S725 PolarHBondContact O-OG 3.15Å; K722-R726 WeakPolarHBondContact O-CB 2.98Å; K722-R726 PolarHBondContact O-N 3.33Å
723A83.9Confident82.7Confident59 Ų5977.6 Ų77.649%0.48842%0.415SS..Hα-helixtrans-62.8-45.5175.300000110.6S719 S720 I721 S725 R726 L727S719-A723 WeakPolarHBondContact O-CB 3.4Å; S719-A723 PolarHBondContact O-N 3.48Å; S720-A723 WeakPolarHBondContact O-CB 3.04Å; S720-A723 PolarHBondContact O-N 2.96Å; I721-A723 VanDerWaalsContact C-N 3.29Å; I721-A723 PolarHBondContact O-N 3.02Å; A723-S725 PolarHBondContact O-N 3.32Å; A723-R726 PolarHBondContact O-N 3Å; A723-L727 VanDerWaalsContact O-CB 3.24Å; A723-L727 WeakPolarHBondContact O-CB 3.04Å; A723-L727 PolarHBondContact O-N 2.87Å
724C84.4Confident82.9Confident4 Ų480.5 Ų80.53%0.02744%0.439CS..Hα-helixtrans-59.7-43.3174.5-74.50000112.8S720 I721 R726 L727 Q728 C745 I749S720-C724 PolarHBondContact O-N 3.26Å; I721-C724 WeakPolarHBondContact O-CB 2.97Å; I721-C724 PolarHBondContact O-N 3.17Å; C724-R726 VanDerWaalsContact C-N 3.34Å; C724-L727 PolarHBondContact O-N 3.02Å; C724-Q728 WeakPolarHBondContact O-CB 3.38Å; C724-Q728 PolarHBondContact O-N 3.34Å; C724-C745 VanDerWaalsContact CA-SG 3.51Å; C724-C745 HydrophobicContact CB-CB 3.78Å; C724-C745 WeakPolarHBondContact CB-SG 2.92Å; C724-C745 WeakPolarHBondContact SG-CB 3.3Å; C724-C745 CovalentContact SG-SG 2.02Å; C724-C745 PolarHBondContact SG-SG 3.17Å; C724-I749 HydrophobicContact CB-CD1 4.41Å; C724-I749 WeakPolarHBondContact SG-CD1 3.24Å
725S82.2Confident82.9Confident48 Ų4877.5 Ų77.534%0.33643%0.428SS..Hα-helixtrans-64-42.4177.156.30000111.5I721 K722 A723 Q728 T729I721-S725 PolarHBondContact O-N 3.47Å; I721-S725 PolarHBondContact O-OG 2.9Å; K722-S725 WeakPolarHBondContact CA-OG 2.98Å; K722-S725 PolarHBondContact O-N 3.21Å; K722-S725 PolarHBondContact O-OG 3.15Å; A723-S725 PolarHBondContact O-N 3.32Å; S725-Q728 WeakPolarHBondContact O-CB 3.36Å; S725-Q728 PolarHBondContact O-N 2.94Å; S725-T729 PolarHBondContact O-N 3.3Å; S725-T729 PolarHBondContact O-OG1 3.4Å
726R83.9Confident82.5Confident185 Ų18583.3 Ų83.370%0.69844%0.443SS*.Hα-helixtrans-69.1-39.8-179.9-167.2164.6179129.4-4.3111.6K722 A723 C724 Q728 T729 I730K722-R726 WeakPolarHBondContact O-CB 2.98Å; K722-R726 PolarHBondContact O-N 3.33Å; A723-R726 PolarHBondContact O-N 3Å; C724-R726 VanDerWaalsContact C-N 3.34Å; R726-Q728 VanDerWaalsContact C-N 3.32Å; R726-Q728 PolarHBondContact O-N 2.91Å; R726-T729 PolarHBondContact O-N 3.29Å; R726-I730 HydrophobicContact CG-CD1 4.08Å; R726-I730 VanDerWaalsContact O-CG1 3.27Å; R726-I730 WeakPolarHBondContact O-CG1 3.32Å; R726-I730 PolarHBondContact O-N 3.33Å
727L83.5Confident82.1Confident85 Ų8589.5 Ų89.545%0.44546%0.461SS..Hα-helixtrans-60.2-43.9174.4-161.387000110.6A723 C724 I730 L731 I741A723-L727 VanDerWaalsContact O-CB 3.24Å; A723-L727 WeakPolarHBondContact O-CB 3.04Å; A723-L727 PolarHBondContact O-N 2.87Å; C724-L727 PolarHBondContact O-N 3.02Å; L727-I730 PolarHBondContact O-N 3.18Å; L727-L731 HydrophobicContact CD2-CD1 3.94Å; L727-L731 HydrophobicContact CG-CD1 3.72Å; L727-L731 WeakPolarHBondContact O-CB 3.48Å; L727-L731 WeakPolarHBondContact O-CD1 3.49Å; L727-L731 PolarHBondContact O-N 3.04Å; L727-I741 HydrophobicContact CD2-CG2 4.42Å
728Q83.4Confident81.6Confident35 Ų3588.8 Ų88.816%0.16447%0.469CS..Hα-helixtrans-60.3-46.3174.7-173.6-1771500111.7C724 S725 R726 I730 L731 I732 K742C724-Q728 WeakPolarHBondContact O-CB 3.38Å; C724-Q728 PolarHBondContact O-N 3.34Å; S725-Q728 WeakPolarHBondContact O-CB 3.36Å; S725-Q728 PolarHBondContact O-N 2.94Å; R726-Q728 VanDerWaalsContact C-N 3.32Å; R726-Q728 PolarHBondContact O-N 2.91Å; Q728-I730 VanDerWaalsContact C-N 3.34Å; Q728-I730 PolarHBondContact O-N 3.21Å; Q728-L731 PolarHBondContact O-N 3.3Å; Q728-I732 HydrophobicContact CG-CD1 3.85Å; Q728-I732 HydrophobicContact CG-CG1 4.47Å; Q728-I732 VanDerWaalsContact O-CG1 3.26Å; Q728-I732 WeakPolarHBondContact O-CG1 3.44Å; Q728-I732 PolarHBondContact O-N 3.16Å; Q728-K742 VanDerWaalsContact OE1-CB 3.23Å
729T83Confident81Confident96 Ų9686.4 Ų86.459%0.58946%0.459SS*.Hα-helixtrans-59.7-44.7177.7-44.40000111.7S725 R726 A733S725-T729 PolarHBondContact O-N 3.3Å; S725-T729 PolarHBondContact O-OG1 3.4Å; R726-T729 PolarHBondContact O-N 3.29Å; T729-A733 WeakPolarHBondContact O-CB 3.48Å; T729-A733 PolarHBondContact O-N 3.3Å; T729-A733 VanDerWaalsContact O-N 3.09Å
730I83.4Confident80.4Confident100 Ų10089.5 Ų89.551%0.51347%0.47SS..Hα-helixtrans-64.9-44.2179.3-68166.1000110.9R726 L727 Q728 A733 A734R726-I730 HydrophobicContact CG-CD1 4.08Å; R726-I730 VanDerWaalsContact O-CG1 3.27Å; R726-I730 WeakPolarHBondContact O-CG1 3.32Å; R726-I730 PolarHBondContact O-N 3.33Å; L727-I730 PolarHBondContact O-N 3.18Å; Q728-I730 VanDerWaalsContact C-N 3.34Å; Q728-I730 PolarHBondContact O-N 3.21Å; I730-A733 PolarHBondContact O-N 2.93Å; I730-A734 WeakPolarHBondContact O-CB 3.49Å; I730-A734 PolarHBondContact O-N 3.5Å
731L81Confident80.1Confident49 Ų4990.7 Ų90.726%0.25748%0.475SS..Hα-helixtrans-65.9-39.7-179.5-89142.7000112.7L727 Q728 A733 A734 T735 L739 I741L727-L731 HydrophobicContact CD2-CD1 3.94Å; L727-L731 HydrophobicContact CG-CD1 3.72Å; L727-L731 WeakPolarHBondContact O-CB 3.48Å; L727-L731 WeakPolarHBondContact O-CD1 3.49Å; L727-L731 PolarHBondContact O-N 3.04Å; Q728-L731 PolarHBondContact O-N 3.3Å; L731-A733 VanDerWaalsContact C-N 3.34Å; L731-A734 PolarHBondContact O-N 3.11Å; L731-T735 PolarHBondContact O-N 2.91Å; L731-T735 PolarHBondContact O-OG1 3.45Å; L731-L739 HydrophobicContact CB-CD1 4.37Å; L731-L739 HydrophobicContact CD2-CD1 4.03Å; L731-I741 HydrophobicContact CB-CD1 4.32Å; L731-I741 HydrophobicContact CD1-CD1 3.45Å; L731-I741 VanDerWaalsContact CD1-CD1 3.45Å; L731-I741 HydrophobicContact CD2-CD1 4.09Å; L731-I741 HydrophobicContact CG-CD1 4.14Å
732I81Confident79.7Confident69 Ų6991.6 Ų91.635%0.35448%0.476SS..Hα-helixtrans-62.4-43.9173.7-67.1168.6000110.3Q728 R736Q728-I732 HydrophobicContact CG-CD1 3.85Å; Q728-I732 HydrophobicContact CG-CG1 4.47Å; Q728-I732 VanDerWaalsContact O-CG1 3.26Å; Q728-I732 WeakPolarHBondContact O-CG1 3.44Å; Q728-I732 PolarHBondContact O-N 3.16Å; I732-R736 WeakPolarHBondContact O-CA 3.3Å; I732-R736 PolarHBondContact O-N 3.08Å; I732-R736 VanDerWaalsContact O-N 3.14Å
733A81Confident79.5Confident77 Ų7790.1 Ų90.164%0.63648%0.475SS*.Hα-helixtrans-66.5-39.4179.300000112.9T729 I730 L731T729-A733 WeakPolarHBondContact O-CB 3.48Å; T729-A733 PolarHBondContact O-N 3.3Å; T729-A733 VanDerWaalsContact O-N 3.09Å; I730-A733 PolarHBondContact O-N 2.93Å; L731-A733 VanDerWaalsContact C-N 3.34Å
734A83.1Confident79.4Confident79 Ų7991.4 Ų91.465%0.65348%0.476SS*.Hα-helixtrans-77.1-42.8-175.400000113.4I730 L731I730-A734 WeakPolarHBondContact O-CB 3.49Å; I730-A734 PolarHBondContact O-N 3.5Å; L731-A734 PolarHBondContact O-N 3.11Å
735T81.7Confident79.3Confident56 Ų5692.4 Ų92.434%0.34448%0.483SS..Hα-helixtrans-89.7-13.8-176.967.70000113.1L731 Y737 L739L731-T735 PolarHBondContact O-N 2.91Å; L731-T735 PolarHBondContact O-OG1 3.45Å; T735-Y737 WeakPolarHBondContact O-CD2 3.43Å; T735-Y737 PolarHBondContact O-N 3.21Å; T735-Y737 VanDerWaalsContact O-N 3.09Å; T735-Y737 PolarHBondContact OG1-N 3.13Å; T735-Y737 PolarHBondContact OG1-O 3.47Å; T735-L739 HydrophobicContact CG2-CD1 3.73Å; T735-L739 WeakPolarHBondContact OG1-CD1 3.48Å
736R74Confident79.2Confident231 Ų23192.8 Ų92.887%0.87248%0.481SS*.SBendtrans57.39.1-168.8-61.8179.3-173.6138.70.8114.7I732I732-R736 WeakPolarHBondContact O-CA 3.3Å; I732-R736 PolarHBondContact O-N 3.08Å; I732-R736 VanDerWaalsContact O-N 3.14Å
737Y74.8Confident79.2Confident173 Ų17393.3 Ų93.368%0.67848%0.483SS*.SBendtrans-104.6143.6172.6-72.6-79.1000110.3T735 L739T735-Y737 WeakPolarHBondContact O-CD2 3.43Å; T735-Y737 PolarHBondContact O-N 3.21Å; T735-Y737 VanDerWaalsContact O-N 3.09Å; T735-Y737 PolarHBondContact OG1-N 3.13Å; T735-Y737 PolarHBondContact OG1-O 3.47Å; Y737-L739 PolarHBondContact O-N 3.4Å
738P71.3Confident79Confident105 Ų10595.5 Ų95.568%0.68249%0.489SS*.  trans-72.877.5176.830.6-34000110.9L740P738-L740 PolarHBondContact O-N 2.96Å
739L71.4Confident78.7Confident66 Ų6694.6 Ų94.635%0.34649%0.485SS..  trans-73.2116.3175.7-78.1161.2000110.8L731 T735 Y737 I741L731-L739 HydrophobicContact CB-CD1 4.37Å; L731-L739 HydrophobicContact CD2-CD1 4.03Å; T735-L739 HydrophobicContact CG2-CD1 3.73Å; T735-L739 WeakPolarHBondContact OG1-CD1 3.48Å; Y737-L739 PolarHBondContact O-N 3.4Å; L739-I741 VanDerWaalsContact C-N 3.35Å; L739-I741 HydrophobicContact CB-CD1 4.21Å; L739-I741 HydrophobicContact CB-CG1 4.37Å; L739-I741 PolarHBondContact O-N 2.86Å
740L70.7Confident78.2Confident125 Ų12593.9 Ų93.965%0.65449%0.489SS*.  trans-88.165.5176.9-100.7131.4000111.9P738 K742P738-L740 PolarHBondContact O-N 2.96Å; L740-K742 VanDerWaalsContact C-N 3.34Å
741I78.2Confident77.8Confident45 Ų4592.9 Ų92.923%0.23149%0.491CS..  trans-81.4-17.3178-67.5167.2000112.1L727 L731 L739 N743 T744 C745L727-I741 HydrophobicContact CD2-CG2 4.42Å; L731-I741 HydrophobicContact CB-CD1 4.32Å; L731-I741 HydrophobicContact CD1-CD1 3.45Å; L731-I741 VanDerWaalsContact CD1-CD1 3.45Å; L731-I741 HydrophobicContact CD2-CD1 4.09Å; L731-I741 HydrophobicContact CG-CD1 4.14Å; L739-I741 VanDerWaalsContact C-N 3.35Å; L739-I741 HydrophobicContact CB-CD1 4.21Å; L739-I741 HydrophobicContact CB-CG1 4.37Å; L739-I741 PolarHBondContact O-N 2.86Å; I741-N743 VanDerWaalsContact C-N 3.29Å; I741-N743 PolarHBondContact O-N 3.35Å; I741-T744 PolarHBondContact O-N 2.58Å; I741-T744 PolarHBondContact O-OG1 2.8Å; I741-C745 HydrophobicContact CG2-CB 4.03Å; I741-C745 VanDerWaalsContact O-CB 3.22Å; I741-C745 WeakPolarHBondContact O-CB 3.46Å; I741-C745 PolarHBondContact O-N 2.77Å
742K74.1Confident77.2Confident96 Ų9691.3 Ų91.342%0.41749%0.487SS..Hα-helixtrans-49.2-49-176.5-156180174.9175.80112.6Q728 L740 L746Q728-K742 VanDerWaalsContact OE1-CB 3.23Å; L740-K742 VanDerWaalsContact C-N 3.34Å; K742-L746 HydrophobicContact CG-CD1 3.91Å; K742-L746 HydrophobicContact CG-CG 4.48Å; K742-L746 VanDerWaalsContact O-CB 3.25Å; K742-L746 WeakPolarHBondContact O-CB 3.34Å; K742-L746 WeakPolarHBondContact O-CG 3.18Å; K742-L746 PolarHBondContact O-N 2.97Å
743N79.6Confident76.8Confident110 Ų11094.1 Ų94.159%0.58850%0.502SS*.Hα-helixtrans-69.7-43.1-175.1-72.3-3.7000111.8I741 R747I741-N743 VanDerWaalsContact C-N 3.29Å; I741-N743 PolarHBondContact O-N 3.35Å; N743-R747 VanDerWaalsContact O-CB 3.26Å; N743-R747 WeakPolarHBondContact O-CB 3.4Å; N743-R747 PolarHBondContact O-N 3.45Å
744T81.4Confident76.2Confident85 Ų8593 Ų9352%0.52149%0.493SS..Hα-helixtrans-65.1-42.6176.80.20000111.5I741 R747 K748I741-T744 PolarHBondContact O-N 2.58Å; I741-T744 PolarHBondContact O-OG1 2.8Å; T744-R747 PolarHBondContact O-N 3.23Å; T744-K748 WeakPolarHBondContact O-CG 3.45Å; T744-K748 PolarHBondContact O-N 2.87Å
745C83Confident75.8Confident26 Ų2689.7 Ų89.718%0.17647%0.465CS..Hα-helixtrans-66.6-45.9178.2-167.70000111.5C724 I741 R747 K748 I749C724-C745 VanDerWaalsContact CA-SG 3.51Å; C724-C745 HydrophobicContact CB-CB 3.78Å; C724-C745 WeakPolarHBondContact CB-SG 2.92Å; C724-C745 WeakPolarHBondContact SG-CB 3.3Å; C724-C745 CovalentContact SG-SG 2.02Å; C724-C745 PolarHBondContact SG-SG 3.17Å; I741-C745 HydrophobicContact CG2-CB 4.03Å; I741-C745 VanDerWaalsContact O-CB 3.22Å; I741-C745 WeakPolarHBondContact O-CB 3.46Å; I741-C745 PolarHBondContact O-N 2.77Å; C745-R747 VanDerWaalsContact C-N 3.32Å; C745-R747 PolarHBondContact O-N 3.06Å; C745-K748 WeakPolarHBondContact O-CB 3.44Å; C745-K748 PolarHBondContact O-N 2.98Å; C745-I749 WeakPolarHBondContact O-CG1 3.31Å; C745-I749 PolarHBondContact O-N 2.86Å
746L80.8Confident75.4Confident55 Ų5590 Ų9029%0.28847%0.467SS..Hα-helixtrans-62.3-37.4173.6-72.3172000112.2I721 K742 I749 A750I721-L746 HydrophobicContact CB-CD2 4.35Å; I721-L746 HydrophobicContact CG1-CD2 3.78Å; I721-L746 HydrophobicContact CG2-CD2 4.16Å; K742-L746 HydrophobicContact CG-CD1 3.91Å; K742-L746 HydrophobicContact CG-CG 4.48Å; K742-L746 VanDerWaalsContact O-CB 3.25Å; K742-L746 WeakPolarHBondContact O-CB 3.34Å; K742-L746 WeakPolarHBondContact O-CG 3.18Å; K742-L746 PolarHBondContact O-N 2.97Å; L746-I749 HydrophobicContact CD2-CD1 4.49Å; L746-I749 PolarHBondContact O-N 3.31Å; L746-A750 WeakPolarHBondContact O-CB 3.29Å; L746-A750 PolarHBondContact O-N 2.9Å
747R82.9Confident75.3Confident197 Ų19781.8 Ų81.874%0.74344%0.443SS*.Hα-helixtrans-65.4-39.6174.4-170.9-179.4-107.9167.2-5.5111.6N743 T744 C745 A750 S751N743-R747 VanDerWaalsContact O-CB 3.26Å; N743-R747 WeakPolarHBondContact O-CB 3.4Å; N743-R747 PolarHBondContact O-N 3.45Å; T744-R747 PolarHBondContact O-N 3.23Å; C745-R747 VanDerWaalsContact C-N 3.32Å; C745-R747 PolarHBondContact O-N 3.06Å; R747-A750 PolarHBondContact O-N 2.98Å; R747-S751 PolarHBondContact O-N 3.08Å
748K79.3Confident75.4Confident130 Ų13078.7 Ų78.757%0.56544%0.438SS*.Hα-helixtrans-62.8-40172.4-78.2-107.2-177.5176.10112.1T744 C745 S751 L753T744-K748 WeakPolarHBondContact O-CG 3.45Å; T744-K748 PolarHBondContact O-N 2.87Å; C745-K748 WeakPolarHBondContact O-CB 3.44Å; C745-K748 PolarHBondContact O-N 2.98Å; K748-S751 WeakPolarHBondContact CA-OG 3.34Å; K748-S751 PolarHBondContact O-N 3.25Å; K748-S751 PolarHBondContact O-OG 3.04Å; K748-L753 HydrophobicContact CD-CD2 4.03Å; K748-L753 PolarHBondContact O-N 2.66Å
749I76.8Confident75.8Confident16 Ų1679.7 Ų79.78%0.08243%0.434CS..Hα-helixtrans-64.2-45.5172.3-64.4168.9000110.7K717 S720 I721 C724 C745 L746 S751 G752 A754K717-I749 HydrophobicContact CG-CG2 4.42Å; S720-I749 VanDerWaalsContact CB-CD1 3.49Å; S720-I749 WeakPolarHBondContact O-CD1 3.37Å; I721-I749 HydrophobicContact CG1-CD1 4.33Å; C724-I749 HydrophobicContact CB-CD1 4.41Å; C724-I749 WeakPolarHBondContact SG-CD1 3.24Å; C745-I749 WeakPolarHBondContact O-CG1 3.31Å; C745-I749 PolarHBondContact O-N 2.86Å; L746-I749 HydrophobicContact CD2-CD1 4.49Å; L746-I749 PolarHBondContact O-N 3.31Å; I749-S751 VanDerWaalsContact C-N 3.27Å; I749-S751 PolarHBondContact O-N 3.49Å; I749-G752 PolarHBondContact O-N 2.93Å; I749-A754 HydrophobicContact CG1-CB 3.97Å
750A73.1Confident76.2Confident81 Ų8178 Ų7867%0.66943%0.43SS*.Hα-helixtrans-64.7-29.9179.800000112.9L746 R747 G752L746-A750 WeakPolarHBondContact O-CB 3.29Å; L746-A750 PolarHBondContact O-N 2.9Å; R747-A750 PolarHBondContact O-N 2.98Å; A750-G752 PolarHBondContact O-N 3.1Å; A750-G752 VanDerWaalsContact O-N 3.17Å
751S74.3Confident76.7Confident80 Ų8072.4 Ų72.456%0.55940%0.4SS*.THydrogen-bonded Turntrans-69.6-1171.967.90000114.1R747 K748 I749 L753R747-S751 PolarHBondContact O-N 3.08Å; K748-S751 WeakPolarHBondContact CA-OG 3.34Å; K748-S751 PolarHBondContact O-N 3.25Å; K748-S751 PolarHBondContact O-OG 3.04Å; I749-S751 VanDerWaalsContact C-N 3.27Å; I749-S751 PolarHBondContact O-N 3.49Å; S751-L753 PolarHBondContact O-N 3Å
752G69.4Low76.9Confident16 Ų1675.9 Ų75.917%0.16542%0.416CS..THydrogen-bonded Turntrans79.7-2.7-178.200000114.4I749 A750 A754 C755 P756I749-G752 PolarHBondContact O-N 2.93Å; A750-G752 PolarHBondContact O-N 3.1Å; A750-G752 VanDerWaalsContact O-N 3.17Å; G752-A754 VanDerWaalsContact C-N 3.35Å; G752-A754 PolarHBondContact O-N 3.37Å; G752-C755 CarbonylContact O-C 3.49Å; G752-C755 PolarHBondContact O-N 3.1Å; G752-P756 WeakPolarHBondContact O-CA 3.31Å
753L71.4Confident77.3Confident128 Ų12875.4 Ų75.467%0.6742%0.418SS*.SBendtrans-62.6-38.1-174.7-140.693.9000113.4K748 S751K748-L753 HydrophobicContact CD-CD2 4.03Å; K748-L753 PolarHBondContact O-N 2.66Å; S751-L753 PolarHBondContact O-N 3Å
754A70Confident77.6Confident54 Ų5470.2 Ų70.245%0.44639%0.39SS..SBendtrans-86.9-32.6179.700000112.9I749 G752I749-A754 HydrophobicContact CG1-CB 3.97Å; G752-A754 VanDerWaalsContact C-N 3.35Å; G752-A754 PolarHBondContact O-N 3.37Å
755C72.9Confident77.7Confident9 Ų968.1 Ų68.16%0.06138%0.375CS..SBendtrans-135.592.1177.3-66.20000107.8C716 S720 G752 T757C716-C755 HydrophobicContact CB-CB 4.05Å; C716-C755 WeakPolarHBondContact CB-SG 3.25Å; C716-C755 PolarHBondContact O-SG 3.19Å; C716-C755 WeakPolarHBondContact SG-CB 3.21Å; C716-C755 CovalentContact SG-SG 2.05Å; C716-C755 PolarHBondContact SG-SG 3.17Å; S720-C755 PolarHBondContact OG-SG 3.48Å; G752-C755 CarbonylContact O-C 3.49Å; G752-C755 PolarHBondContact O-N 3.1Å; C755-T757 PolarHBondContact O-N 3.3Å
756P73.5Confident77.7Confident61 Ų6171.3 Ų71.340%0.39639%0.39SS..  trans-71.491.8-177.227.9-33.9000109.4G752 D758 Q759 A760G752-P756 WeakPolarHBondContact O-CA 3.31Å; P756-D758 VanDerWaalsContact C-N 3.28Å; P756-D758 PolarHBondContact O-N 3.33Å; P756-Q759 HydrophobicContact CB-CB 4.3Å; P756-A760 VanDerWaalsContact O-CB 3.22Å; P756-A760 WeakPolarHBondContact O-CB 3.25Å; P756-A760 PolarHBondContact O-N 2.93Å
757T72.3Confident77.8Confident59 Ų5973.9 Ų73.936%0.36240%0.401SS..Hα-helixtrans-66.5-31.5-176.245.60000112.7C755 L761C755-T757 PolarHBondContact O-N 3.3Å; T757-L761 WeakPolarHBondContact O-CB 3.42Å; T757-L761 PolarHBondContact O-N 3.46Å
758D77.1Confident77.9Confident108 Ų10864.5 Ų64.558%0.57837%0.366SS*.Hα-helixtrans-76.1-48.2-175.4-57-21.4000110.9P756 A760 L761 E762P756-D758 VanDerWaalsContact C-N 3.28Å; P756-D758 PolarHBondContact O-N 3.33Å; D758-A760 VanDerWaalsContact C-N 3.3Å; D758-A760 PolarHBondContact O-N 3.36Å; D758-L761 PolarHBondContact O-N 2.9Å; D758-L761 VanDerWaalsContact O-N 3.15Å; D758-E762 PolarHBondContact O-N 3Å
759Q79.3Confident77.9Confident126 Ų12660.1 Ų60.159%0.58935%0.351SS*.Hα-helixtrans-61.6-38.5171.6-74.7-178.8-23.100111.8P756 L761 E762 N763P756-Q759 HydrophobicContact CB-CB 4.3Å; Q759-L761 VanDerWaalsContact C-N 3.33Å; Q759-E762 PolarHBondContact O-N 2.94Å; Q759-N763 VanDerWaalsContact O-CB 3.32Å; Q759-N763 WeakPolarHBondContact O-CB 3.29Å; Q759-N763 PolarHBondContact O-N 3.4Å; Q759-N763 PolarHBondContact O-ND2 2.55Å
760A79.2Confident77.6Confident32 Ų3261.4 Ų61.426%0.26436%0.361SS..Hα-helixtrans-65.3-37.1175.700000112P756 D758 A764P756-A760 VanDerWaalsContact O-CB 3.22Å; P756-A760 WeakPolarHBondContact O-CB 3.25Å; P756-A760 PolarHBondContact O-N 2.93Å; D758-A760 VanDerWaalsContact C-N 3.3Å; D758-A760 PolarHBondContact O-N 3.36Å; A760-A764 WeakPolarHBondContact O-CB 3.5Å; A760-A764 PolarHBondContact O-N 3.39Å
761L81.6Confident77.4Confident7 Ų758.1 Ų58.14%0.03733%0.334CS..Hα-helixtrans-68.6-46.4174.7-174.775000111.1M639 Y640 M643 M706 T757 D758 Q759 N763 A764 I765M639-L761 HydrophobicContact CB-CD2 4.16Å; M639-L761 HydrophobicContact CE-CB 4.15Å; M639-L761 HydrophobicContact CE-CD2 3.19Å; M639-L761 HydrophobicContact CE-CG 4.25Å; M639-L761 HydrophobicContact CG-CD2 3.49Å; M639-L761 VanDerWaalsContact CG-CD2 3.49Å; M639-L761 HydrophobicContact SD-CD2 3.92Å; Y640-L761 HydrophobicContact CD1-CD1 3.38Å; Y640-L761 HydrophobicContact CD2-CD1 4.23Å; Y640-L761 HydrophobicContact CE1-CB 4.46Å; Y640-L761 HydrophobicContact CE1-CD1 3.45Å; Y640-L761 VanDerWaalsContact CE1-CD1 3.45Å; Y640-L761 HydrophobicContact CE2-CD1 4.27Å; Y640-L761 HydrophobicContact CG-CD1 3.78Å; M643-L761 HydrophobicContact CE-CD2 4.35Å; M706-L761 HydrophobicContact CE-CD1 4.21Å; T757-L761 WeakPolarHBondContact O-CB 3.42Å; T757-L761 PolarHBondContact O-N 3.46Å; D758-L761 PolarHBondContact O-N 2.9Å; D758-L761 VanDerWaalsContact O-N 3.15Å; Q759-L761 VanDerWaalsContact C-N 3.33Å; L761-N763 VanDerWaalsContact C-N 3.3Å; L761-N763 PolarHBondContact O-N 3.08Å; L761-A764 CarbonylContact O-C 3.11Å; L761-A764 WeakPolarHBondContact O-CA 3.29Å; L761-A764 VanDerWaalsContact O-CB 3.3Å; L761-A764 WeakPolarHBondContact O-CB 3.49Å; L761-A764 PolarHBondContact O-N 3.36Å; L761-I765 HydrophobicContact CD2-CD1 4.42Å; L761-I765 HydrophobicContact CG-CD1 4.19Å; L761-I765 HydrophobicContact CG-CG1 4.42Å; L761-I765 WeakPolarHBondContact O-CG1 3.14Å; L761-I765 PolarHBondContact O-N 2.99Å
762E83.7Confident77.4Confident118 Ų11854.9 Ų54.955%0.55131%0.31SS*.Hα-helixtrans-59.5-43.6178.7-169.7179.5177.900111.4D758 Q759 A764 I765 N766D758-E762 PolarHBondContact O-N 3Å; Q759-E762 PolarHBondContact O-N 2.94Å; E762-A764 VanDerWaalsContact C-N 3.31Å; E762-A764 PolarHBondContact O-N 3.08Å; E762-I765 PolarHBondContact O-N 3.29Å; E762-N766 PolarHBondContact O-N 3.14Å; E762-N766 PolarHBondContact O-ND2 3.09Å
763N82.9Confident77.5Confident86 Ų8660.3 Ų60.346%0.4633%0.331SS..Hα-helixtrans-61-39.6171.9-72.8-21.4000112.1Q759 L761 Q767Q759-N763 VanDerWaalsContact O-CB 3.32Å; Q759-N763 WeakPolarHBondContact O-CB 3.29Å; Q759-N763 PolarHBondContact O-N 3.4Å; Q759-N763 PolarHBondContact O-ND2 2.55Å; L761-N763 VanDerWaalsContact C-N 3.3Å; L761-N763 PolarHBondContact O-N 3.08Å; N763-Q767 VanDerWaalsContact O-CB 3.3Å; N763-Q767 WeakPolarHBondContact O-CB 3.3Å; N763-Q767 VanDerWaalsContact O-CG 3.32Å; N763-Q767 WeakPolarHBondContact O-CG 3.23Å; N763-Q767 PolarHBondContact O-N 2.91Å
764A84.6Confident77.5Confident0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-63.7-43.1175.200000111.5Y640 M706 Y709 A760 L761 E762 Q767 C768Y640-A764 HydrophobicContact CE1-CB 4.41Å; M706-A764 HydrophobicContact SD-CB 4.11Å; Y709-A764 HydrophobicContact CD1-CB 3.79Å; Y709-A764 HydrophobicContact CD2-CB 3.75Å; Y709-A764 HydrophobicContact CE1-CB 4.43Å; Y709-A764 HydrophobicContact CE2-CB 4.38Å; Y709-A764 HydrophobicContact CG-CB 3.43Å; Y709-A764 VanDerWaalsContact CG-CB 3.43Å; A760-A764 WeakPolarHBondContact O-CB 3.5Å; A760-A764 PolarHBondContact O-N 3.39Å; L761-A764 CarbonylContact O-C 3.11Å; L761-A764 WeakPolarHBondContact O-CA 3.29Å; L761-A764 VanDerWaalsContact O-CB 3.3Å; L761-A764 WeakPolarHBondContact O-CB 3.49Å; L761-A764 PolarHBondContact O-N 3.36Å; E762-A764 VanDerWaalsContact C-N 3.31Å; E762-A764 PolarHBondContact O-N 3.08Å; A764-Q767 PolarHBondContact O-N 3.38Å; A764-C768 WeakPolarHBondContact O-CA 3.49Å; A764-C768 WeakPolarHBondContact O-CB 2.97Å; A764-C768 PolarHBondContact O-N 3.42Å; A764-C768 PolarHBondContact O-SG 3.18Å
765I83.4Confident77.5Confident42 Ų4262 Ų6222%0.21533%0.327CS..Hα-helixtrans-59-52.6176.6-64.7165.5000109.8M643 M647 L761 E762 Q767 S769M643-I765 HydrophobicContact CE-CD1 3.8Å; M643-I765 HydrophobicContact CG-CD1 3.48Å; M643-I765 VanDerWaalsContact CG-CD1 3.48Å; M643-I765 HydrophobicContact CG-CG1 3.42Å; M643-I765 VanDerWaalsContact CG-CG1 3.42Å; M643-I765 HydrophobicContact SD-CD1 3.71Å; M643-I765 HydrophobicContact SD-CG1 4.21Å; M647-I765 WeakPolarHBondContact CE-O 3.33Å; M647-I765 HydrophobicContact SD-CB 4.48Å; M647-I765 HydrophobicContact SD-CG1 4.36Å; M647-I765 HydrophobicContact SD-CG2 4.29Å; L761-I765 HydrophobicContact CD2-CD1 4.42Å; L761-I765 HydrophobicContact CG-CD1 4.19Å; L761-I765 HydrophobicContact CG-CG1 4.42Å; L761-I765 WeakPolarHBondContact O-CG1 3.14Å; L761-I765 PolarHBondContact O-N 2.99Å; E762-I765 PolarHBondContact O-N 3.29Å; I765-Q767 VanDerWaalsContact C-N 3.32Å; I765-Q767 PolarHBondContact O-N 3.34Å; I765-S769 WeakPolarHBondContact O-CB 3.42Å; I765-S769 PolarHBondContact O-N 3.1Å; I765-S769 PolarHBondContact O-OG 3.16Å
766N83.2Confident77.3Confident93 Ų9364.7 Ų64.750%0.49736%0.356SS..Hα-helixtrans-65.4-34.4-176.7-70.5-23.9000112.9E762 S769 K774E762-N766 PolarHBondContact O-N 3.14Å; E762-N766 PolarHBondContact O-ND2 3.09Å; N766-S769 PolarHBondContact O-OG 3.4Å; N766-K774 PolarHBondContact O-NZ 3.48Å
767Q83.2Confident77.2Confident109 Ų10966.2 Ų66.251%0.50936%0.355SS..Hα-helixtrans-83.2-40.8179.5-70.7-167.112.300113Y709 N763 A764 I765 K774Y709-Q767 HydrophobicContact CE2-CB 4.44Å; Y709-Q767 PolarHBondContact OH-OE1 3.38Å; N763-Q767 VanDerWaalsContact O-CB 3.3Å; N763-Q767 WeakPolarHBondContact O-CB 3.3Å; N763-Q767 VanDerWaalsContact O-CG 3.32Å; N763-Q767 WeakPolarHBondContact O-CG 3.23Å; N763-Q767 PolarHBondContact O-N 2.91Å; A764-Q767 PolarHBondContact O-N 3.38Å; I765-Q767 VanDerWaalsContact C-N 3.32Å; I765-Q767 PolarHBondContact O-N 3.34Å; Q767-K774 PolarHBondContact O-NZ 3.33Å
768C84.8Confident77.1Confident0 Ų067.3 Ų67.30%037%0.365CS..Hα-helixtrans-80-23.1-178.6-56.20000112.6M647 Q702 C705 M706 A764M647-C768 VanDerWaalsContact CE-C 3.48Å; M647-C768 HydrophobicContact CE-CB 3.88Å; Q702-C768 WeakPolarHBondContact CG-O 3.41Å; C705-C768 HydrophobicContact CB-CB 3.7Å; C705-C768 WeakPolarHBondContact CB-SG 3.37Å; C705-C768 WeakPolarHBondContact SG-CA 3.19Å; C705-C768 WeakPolarHBondContact SG-CB 3.43Å; C705-C768 CovalentContact SG-SG 2.04Å; C705-C768 PolarHBondContact SG-SG 2.94Å; M706-C768 HydrophobicContact CG-CB 4.27Å; M706-C768 HydrophobicContact SD-CB 4.16Å; A764-C768 WeakPolarHBondContact O-CA 3.49Å; A764-C768 WeakPolarHBondContact O-CB 2.97Å; A764-C768 PolarHBondContact O-N 3.42Å; A764-C768 PolarHBondContact O-SG 3.18Å
769S78.5Confident76.9Confident37 Ų3766 Ų6626%0.25936%0.364SS..THydrogen-bonded Turntrans-63.6147.5172.464.60000110.2M647 I765 N766 S771 K774M647-S769 VanDerWaalsContact CE-CA 3.43Å; I765-S769 WeakPolarHBondContact O-CB 3.42Å; I765-S769 PolarHBondContact O-N 3.1Å; I765-S769 PolarHBondContact O-OG 3.16Å; N766-S769 PolarHBondContact O-OG 3.4Å; S769-S771 PolarHBondContact O-N 3.36Å; S769-S771 VanDerWaalsContact O-N 3.15Å; S769-K774 PolarHBondContact O-NZ 3.07Å
770S70.9Confident76.7Confident43 Ų4361.1 Ų61.130%0.30135%0.347SS..THydrogen-bonded Turntrans53.632.617762.70000114.6L772 E773 K774S770-L772 PolarHBondContact O-N 3.42Å; S770-E773 PolarHBondContact O-N 3.3Å; S770-K774 WeakPolarHBondContact O-CG 3.48Å; S770-K774 PolarHBondContact O-N 3.2Å; S770-K774 VanDerWaalsContact O-N 3.16Å
771S69.7Low76.8Confident13 Ų1362.7 Ų62.79%0.09135%0.348CS..Hα-helixtrans-57.2-34.4-175.957.40000113.9M701 S769 I775M701-S771 WeakPolarHBondContact CB-OG 3.46Å; S769-S771 PolarHBondContact O-N 3.36Å; S769-S771 VanDerWaalsContact O-N 3.15Å; S771-I775 WeakPolarHBondContact O-CG1 3.41Å; S771-I775 PolarHBondContact O-N 3.12Å
772L73.3Confident76.9Confident11 Ų1162.4 Ų62.46%0.05835%0.347CS..Hα-helixtrans-69-46.8-178.9-167.964.4000111.7M655 E694 I697 E698 M701 S770 K774 I775 Y777M655-L772 HydrophobicContact CE-CD2 4.29Å; E694-L772 HydrophobicContact CB-CD2 4.21Å; I697-L772 HydrophobicContact CB-CD1 4.29Å; I697-L772 HydrophobicContact CG2-CD1 3.61Å; E698-L772 HydrophobicContact CB-CB 4.19Å; E698-L772 HydrophobicContact CB-CD2 4.31Å; E698-L772 HydrophobicContact CG-CB 4.4Å; M701-L772 HydrophobicContact SD-CD1 4.37Å; S770-L772 PolarHBondContact O-N 3.42Å; L772-K774 VanDerWaalsContact C-N 3.33Å; L772-K774 PolarHBondContact O-N 3.38Å; L772-I775 PolarHBondContact O-N 3.13Å; L772-Y777 HydrophobicContact CD1-CD2 4.01Å; L772-Y777 HydrophobicContact CD1-CG 3.98Å; L772-Y777 PolarHBondContact O-N 3.47Å
773E71.5Confident76.8Confident130 Ų13058.1 Ų58.161%0.60733%0.33SS*.Hα-helixtrans-65.1-36.8179.4-168.3166-167.500111.6S770 I775 G776S770-E773 PolarHBondContact O-N 3.3Å; E773-I775 VanDerWaalsContact C-N 3.28Å; E773-I775 PolarHBondContact O-N 3.1Å; E773-G776 PolarHBondContact O-N 3.19Å
774K72.3Confident76.6Confident115 Ų11559.7 Ų59.750%0.534%0.338SS..Hα-helixtrans-64.2-27.1176.2-74.2171.5178.8159.50114.3N766 Q767 S769 S770 L772N766-K774 PolarHBondContact O-NZ 3.48Å; Q767-K774 PolarHBondContact O-NZ 3.33Å; S769-K774 PolarHBondContact O-NZ 3.07Å; S770-K774 WeakPolarHBondContact O-CG 3.48Å; S770-K774 PolarHBondContact O-N 3.2Å; S770-K774 VanDerWaalsContact O-N 3.16Å; L772-K774 VanDerWaalsContact C-N 3.33Å; L772-K774 PolarHBondContact O-N 3.38Å
775I70.1Confident76.5Confident102 Ų10260.9 Ų60.952%0.52334%0.343SS..THydrogen-bonded Turntrans-87.31.5177.3-62.8165.5000111M701 S771 L772 E773 Y777M701-I775 HydrophobicContact CE-CD1 3.34Å; M701-I775 HydrophobicContact SD-CD1 3.6Å; S771-I775 WeakPolarHBondContact O-CG1 3.41Å; S771-I775 PolarHBondContact O-N 3.12Å; L772-I775 PolarHBondContact O-N 3.13Å; E773-I775 VanDerWaalsContact C-N 3.28Å; E773-I775 PolarHBondContact O-N 3.1Å; I775-Y777 HydrophobicContact CB-CD2 4.19Å; I775-Y777 HydrophobicContact CG2-CD2 3.88Å; I775-Y777 HydrophobicContact CG2-CE2 3.77Å
776G67.7Low76.6Confident66 Ų6660.7 Ų60.768%0.6834%0.342SS*.THydrogen-bonded Turntrans85.611.2177.600000114E773 S778E773-G776 PolarHBondContact O-N 3.19Å; G776-S778 PolarHBondContact O-N 3.15Å
777Y72.2Confident76.5Confident94 Ų9458.6 Ų58.637%0.36933%0.329SS..  trans-79.5112.5169.7-73.8-81.2000109.2L772 I775 F781L772-Y777 HydrophobicContact CD1-CD2 4.01Å; L772-Y777 HydrophobicContact CD1-CG 3.98Å; L772-Y777 PolarHBondContact O-N 3.47Å; I775-Y777 HydrophobicContact CB-CD2 4.19Å; I775-Y777 HydrophobicContact CG2-CD2 3.88Å; I775-Y777 HydrophobicContact CG2-CE2 3.77Å; Y777-F781 HydrophobicContact CD1-CB 4.3Å; Y777-F781 AromaticContact CD1-CD1 3.92Å; Y777-F781 HydrophobicContact CD1-CD1 3.92Å; Y777-F781 AromaticContact CD1-CD2 3.8Å; Y777-F781 HydrophobicContact CD1-CD2 3.8Å; Y777-F781 HydrophobicContact CD1-CE1 4.2Å; Y777-F781 HydrophobicContact CD1-CE2 4.09Å; Y777-F781 AromaticContact CD1-CG 3.71Å; Y777-F781 HydrophobicContact CD1-CG 3.71Å; Y777-F781 HydrophobicContact CD1-CZ 4.28Å; Y777-F781 HydrophobicContact CE1-CD1 4.16Å; Y777-F781 AromaticContact CE1-CD2 3.93Å; Y777-F781 HydrophobicContact CE1-CD2 3.93Å; Y777-F781 AromaticContact CE1-CE1 3.95Å; Y777-F781 HydrophobicContact CE1-CE1 3.95Å; Y777-F781 AromaticContact CE1-CE2 3.71Å; Y777-F781 HydrophobicContact CE1-CE2 3.71Å; Y777-F781 HydrophobicContact CE1-CG 4.15Å; Y777-F781 AromaticContact CE1-CZ 3.73Å; Y777-F781 HydrophobicContact CE1-CZ 3.73Å
778S69.5Low76.3Confident82 Ų8255.7 Ų55.757%0.57332%0.324SS*.  trans-78.4154.2172.459.50000111.4G776 G780 F781G776-S778 PolarHBondContact O-N 3.15Å; S778-G780 PolarHBondContact O-N 3.24Å; S778-F781 PolarHBondContact O-N 2.84Å
779S72.9Confident76.1Confident80 Ų8058.7 Ų58.756%0.55934%0.338SS*.THydrogen-bonded Turntrans-55.4131.516949.40000111.3
780G76Confident76.2Confident23 Ų2361 Ų6124%0.23735%0.345CS..THydrogen-bonded Turntrans101.7-4.3-177.600000114.5E694 S778 G782 S783 L784E694-G780 VanDerWaalsContact OE1-CA 3.22Å; E694-G780 WeakPolarHBondContact OE1-CA 3.49Å; E694-G780 PolarHBondContact OE1-N 2.99Å; S778-G780 PolarHBondContact O-N 3.24Å; G780-G782 VanDerWaalsContact C-N 3.25Å; G780-G782 PolarHBondContact O-N 3.49Å; G780-S783 PolarHBondContact O-N 2.86Å; G780-S783 PolarHBondContact O-OG 3.43Å; G780-L784 WeakPolarHBondContact O-CD1 3.34Å; G780-L784 PolarHBondContact O-N 3.35Å; G780-L784 VanDerWaalsContact O-N 3.1Å
781F81.3Confident76.6Confident66 Ų6662.1 Ų62.129%0.28935%0.347SS..Hα-helixtrans-52.5-43.3171.9170.4-99.6000112.5E694 I697 Y777 S778 S783 L784 F785E694-F781 PolarHBondContact OE1-N 2.98Å; I697-F781 HydrophobicContact CD1-CE1 4.49Å; Y777-F781 HydrophobicContact CD1-CB 4.3Å; Y777-F781 AromaticContact CD1-CD1 3.92Å; Y777-F781 HydrophobicContact CD1-CD1 3.92Å; Y777-F781 AromaticContact CD1-CD2 3.8Å; Y777-F781 HydrophobicContact CD1-CD2 3.8Å; Y777-F781 HydrophobicContact CD1-CE1 4.2Å; Y777-F781 HydrophobicContact CD1-CE2 4.09Å; Y777-F781 AromaticContact CD1-CG 3.71Å; Y777-F781 HydrophobicContact CD1-CG 3.71Å; Y777-F781 HydrophobicContact CD1-CZ 4.28Å; Y777-F781 HydrophobicContact CE1-CD1 4.16Å; Y777-F781 AromaticContact CE1-CD2 3.93Å; Y777-F781 HydrophobicContact CE1-CD2 3.93Å; Y777-F781 AromaticContact CE1-CE1 3.95Å; Y777-F781 HydrophobicContact CE1-CE1 3.95Å; Y777-F781 AromaticContact CE1-CE2 3.71Å; Y777-F781 HydrophobicContact CE1-CE2 3.71Å; Y777-F781 HydrophobicContact CE1-CG 4.15Å; Y777-F781 AromaticContact CE1-CZ 3.73Å; Y777-F781 HydrophobicContact CE1-CZ 3.73Å; S778-F781 PolarHBondContact O-N 2.84Å; F781-S783 VanDerWaalsContact C-N 3.35Å; F781-S783 PolarHBondContact O-N 2.71Å; F781-L784 PolarHBondContact O-N 2.92Å; F781-F785 HydrophobicContact CZ-CB 4.46Å; F781-F785 WeakPolarHBondContact O-CB 3.38Å; F781-F785 PolarHBondContact O-N 2.98Å
782G82.6Confident77Confident0 Ų063.2 Ų63.20%035%0.352CS..Hα-helixtrans-62.5-40.5-177.800000112.6G690 E694 G780 L786G690-G782 VanDerWaalsContact CA-C 3.44Å; E694-G782 PolarHBondContact OE1-N 3.37Å; G780-G782 VanDerWaalsContact C-N 3.25Å; G780-G782 PolarHBondContact O-N 3.49Å; G782-L786 WeakPolarHBondContact O-CG 3.48Å; G782-L786 PolarHBondContact O-N 3.33Å; G782-L786 VanDerWaalsContact O-N 3.13Å
783S82.7Confident77.1Confident29 Ų2968.2 Ų68.220%0.20337%0.371CS..Hα-helixtrans-73.9-37.8179.364.30000112.1R686 G780 F781 L786 Q787R686-S783 WeakPolarHBondContact O-CB 3.4Å; G780-S783 PolarHBondContact O-N 2.86Å; G780-S783 PolarHBondContact O-OG 3.43Å; F781-S783 VanDerWaalsContact C-N 3.35Å; F781-S783 PolarHBondContact O-N 2.71Å; S783-L786 PolarHBondContact O-N 2.88Å; S783-Q787 PolarHBondContact O-N 3.07Å
784L79Confident77.2Confident119 Ų11965.1 Ų65.162%0.62336%0.359SS*.Hα-helixtrans-60.9-43.6171.9-82.6153.5000111.7G780 F781 Q787 A788G780-L784 WeakPolarHBondContact O-CD1 3.34Å; G780-L784 PolarHBondContact O-N 3.35Å; G780-L784 VanDerWaalsContact O-N 3.1Å; F781-L784 PolarHBondContact O-N 2.92Å; L784-Q787 WeakPolarHBondContact O-CB 3.4Å; L784-Q787 PolarHBondContact O-N 3.46Å; L784-A788 WeakPolarHBondContact O-CB 3.09Å; L784-A788 PolarHBondContact O-N 2.77Å
785F83Confident77.3Confident25 Ų2563.6 Ų63.611%0.1136%0.355CS..Hα-helixtrans-60.6-47.6176.7177.1-101.7000112I609 I612 F781 Q787 A788 Q789I609-F785 HydrophobicContact CG1-CE2 4.29Å; I609-F785 HydrophobicContact CG1-CZ 4.34Å; I609-F785 HydrophobicContact CG2-CZ 4.06Å; I612-F785 HydrophobicContact CB-CZ 4.24Å; I612-F785 HydrophobicContact CD1-CE2 3.98Å; I612-F785 HydrophobicContact CD1-CZ 4.47Å; I612-F785 HydrophobicContact CG2-CE1 4.47Å; I612-F785 HydrophobicContact CG2-CE2 4.12Å; I612-F785 HydrophobicContact CG2-CZ 3.75Å; F781-F785 HydrophobicContact CZ-CB 4.46Å; F781-F785 WeakPolarHBondContact O-CB 3.38Å; F781-F785 PolarHBondContact O-N 2.98Å; F785-Q787 VanDerWaalsContact C-N 3.32Å; F785-Q787 PolarHBondContact O-N 3.17Å; F785-A788 PolarHBondContact O-N 3.24Å; F785-Q789 PolarHBondContact O-N 3.31Å
786L83.5Confident77.4Confident37 Ų3762.3 Ų62.319%0.19435%0.346CS..Hα-helixtrans-64.7-36.5177-68.3172.4000112R686 D689 G782 S783 Q789 Q790R686-L786 HydrophobicContact CG-CB 4.42Å; D689-L786 HydrophobicContact CB-CD1 3.47Å; D689-L786 VanDerWaalsContact CB-CD1 3.47Å; G782-L786 WeakPolarHBondContact O-CG 3.48Å; G782-L786 PolarHBondContact O-N 3.33Å; G782-L786 VanDerWaalsContact O-N 3.13Å; S783-L786 PolarHBondContact O-N 2.88Å; L786-Q789 PolarHBondContact O-N 2.98Å; L786-Q790 PolarHBondContact O-N 3.33Å; L786-Q790 VanDerWaalsContact O-N 3.11Å
787Q82.3Confident77.5Confident49 Ų4964.7 Ų64.723%0.22934%0.339CS..Hα-helixtrans-60.5-49.8172.9-124.4-35.578.800112R686 S783 L784 F785 Q789 Q790 D791R686-Q787 VanDerWaalsContact NH1-CG 3.33Å; S783-Q787 PolarHBondContact O-N 3.07Å; L784-Q787 WeakPolarHBondContact O-CB 3.4Å; L784-Q787 PolarHBondContact O-N 3.46Å; F785-Q787 VanDerWaalsContact C-N 3.32Å; F785-Q787 PolarHBondContact O-N 3.17Å; Q787-Q789 PolarHBondContact O-N 3.46Å; Q787-Q790 PolarHBondContact O-N 3.4Å; Q787-Q790 VanDerWaalsContact O-N 3.12Å; Q787-D791 PolarHBondContact NE2-OD1 3.36Å; Q787-D791 PolarHBondContact NE2-OD2 2.82Å; Q787-D791 WeakPolarHBondContact O-CB 3.32Å; Q787-D791 VanDerWaalsContact O-CG 3.28Å; Q787-D791 PolarHBondContact O-N 3.06Å
788A79.1Confident77.1Confident48 Ų4866 Ų6640%0.39736%0.357SS..Hα-helixtrans-60.1-38.4-17800000110.9L784 F785 L792L784-A788 WeakPolarHBondContact O-CB 3.09Å; L784-A788 PolarHBondContact O-N 2.77Å; F785-A788 PolarHBondContact O-N 3.24Å; A788-L792 WeakPolarHBondContact O-CB 3.43Å; A788-L792 WeakPolarHBondContact O-CD1 3.5Å; A788-L792 VanDerWaalsContact O-CG 3.27Å; A788-L792 WeakPolarHBondContact O-CG 3.37Å; A788-L792 PolarHBondContact O-N 2.92Å
789Q80.4Confident76.9Confident63 Ų6364.5 Ų64.529%0.29434%0.34SS..Hα-helixtrans-62.2-46.7174.4-175.4178.320.900112.4I609 F785 L786 Q787 Y793I609-Q789 HydrophobicContact CD1-CB 4.18Å; I609-Q789 HydrophobicContact CD1-CG 4.2Å; I609-Q789 HydrophobicContact CG2-CG 4.05Å; F785-Q789 PolarHBondContact O-N 3.31Å; L786-Q789 PolarHBondContact O-N 2.98Å; Q787-Q789 PolarHBondContact O-N 3.46Å; Q789-Y793 PolarHBondContact O-N 3.45Å; Q789-Y793 VanDerWaalsContact O-N 3.1Å
790Q80Confident76.2Confident86 Ų8666.5 Ų66.540%0.40234%0.34SS..Hα-helixtrans-66.6-41.5179.2-175.860.639.200112.2L786 Q787 Y793 N794L786-Q790 PolarHBondContact O-N 3.33Å; L786-Q790 VanDerWaalsContact O-N 3.11Å; Q787-Q790 PolarHBondContact O-N 3.4Å; Q787-Q790 VanDerWaalsContact O-N 3.12Å; Q790-Y793 WeakPolarHBondContact O-CB 3.19Å; Q790-Y793 PolarHBondContact O-N 3.27Å; Q790-N794 PolarHBondContact NE2-OD1 3.28Å; Q790-N794 VanDerWaalsContact O-CG 3.28Å; Q790-N794 PolarHBondContact O-N 3.41Å; Q790-N794 PolarHBondContact O-ND2 2.67Å
791D79.9Confident75.2Confident67 Ų6771.1 Ų71.136%0.35835%0.354SS..Hα-helixtrans-67-38.8-179.3-66.5-21.9000110.8Q787 Y793 N794 I795Q787-D791 PolarHBondContact NE2-OD1 3.36Å; Q787-D791 PolarHBondContact NE2-OD2 2.82Å; Q787-D791 WeakPolarHBondContact O-CB 3.32Å; Q787-D791 VanDerWaalsContact O-CG 3.28Å; Q787-D791 PolarHBondContact O-N 3.06Å; D791-Y793 VanDerWaalsContact C-N 3.33Å; D791-Y793 PolarHBondContact O-N 2.96Å; D791-N794 PolarHBondContact O-N 3.37Å; D791-I795 VanDerWaalsContact O-CG1 3.28Å; D791-I795 WeakPolarHBondContact O-CG1 3.49Å; D791-I795 PolarHBondContact O-N 2.93Å
792L77Confident73.8Confident35 Ų3573.6 Ų73.618%0.18338%0.375CS..Hα-helixtrans-60.7-40.6170.7-79.8166.6000112.4I602 Y605 I609 A788 K796I602-L792 HydrophobicContact CG1-CD2 4.27Å; I602-L792 HydrophobicContact CG2-CD2 4.38Å; Y605-L792 HydrophobicContact CG-CD1 4.45Å; I609-L792 HydrophobicContact CD1-CD1 3.77Å; A788-L792 WeakPolarHBondContact O-CB 3.43Å; A788-L792 WeakPolarHBondContact O-CD1 3.5Å; A788-L792 VanDerWaalsContact O-CG 3.27Å; A788-L792 WeakPolarHBondContact O-CG 3.37Å; A788-L792 PolarHBondContact O-N 2.92Å; L792-K796 WeakPolarHBondContact O-CB 3.45Å; L792-K796 PolarHBondContact O-N 3.37Å
793Y76.6Confident72.3Confident116 Ų11677.5 Ų77.546%0.45540%0.395SS..Hα-helixtrans-64.4-43.9175.6-176.7-96.1000111.9Q789 Q790 D791 K796 Q797Q789-Y793 PolarHBondContact O-N 3.45Å; Q789-Y793 VanDerWaalsContact O-N 3.1Å; Q790-Y793 WeakPolarHBondContact O-CB 3.19Å; Q790-Y793 PolarHBondContact O-N 3.27Å; D791-Y793 VanDerWaalsContact C-N 3.33Å; D791-Y793 PolarHBondContact O-N 2.96Å; Y793-K796 WeakPolarHBondContact O-CB 3.4Å; Y793-K796 PolarHBondContact O-N 3.46Å; Y793-Q797 HydrophobicContact CE1-CG 4.14Å; Y793-Q797 VanDerWaalsContact CE1-NE2 3.3Å; Y793-Q797 PolarHBondContact O-N 2.86Å; Y793-Q797 VanDerWaalsContact O-N 3.15Å; Y793-Q797 PolarHBondContact OH-NE2 3.43Å
794N74.1Confident70.5Confident66 Ų6684 Ų8435%0.35342%0.422SS..Hα-helixtrans-63.7-47.5178-67.8-17.9000111.5Q790 D791 K796 Q797 T798Q790-N794 PolarHBondContact NE2-OD1 3.28Å; Q790-N794 VanDerWaalsContact O-CG 3.28Å; Q790-N794 PolarHBondContact O-N 3.41Å; Q790-N794 PolarHBondContact O-ND2 2.67Å; D791-N794 PolarHBondContact O-N 3.37Å; N794-K796 VanDerWaalsContact C-N 3.26Å; N794-K796 PolarHBondContact O-N 3Å; N794-Q797 PolarHBondContact O-N 3.19Å; N794-T798 PolarHBondContact O-N 3.31Å; N794-T798 PolarHBondContact O-OG1 2.82Å
795I72.8Confident69.1Low83 Ų8388.5 Ų88.543%0.42643%0.431SS..Hα-helixtrans-57.7-41176.7-68.9169000110.7I602 D791 Q797 T798 F799I602-I795 HydrophobicContact CD1-CB 4.46Å; I602-I795 HydrophobicContact CD1-CG2 3.67Å; D791-I795 VanDerWaalsContact O-CG1 3.28Å; D791-I795 WeakPolarHBondContact O-CG1 3.49Å; D791-I795 PolarHBondContact O-N 2.93Å; I795-Q797 VanDerWaalsContact C-N 3.31Å; I795-Q797 PolarHBondContact O-N 3.41Å; I795-T798 PolarHBondContact O-N 2.93Å; I795-F799 WeakPolarHBondContact O-CB 3.24Å; I795-F799 PolarHBondContact O-N 2.91Å; I795-F799 VanDerWaalsContact O-N 3.16Å
796K73.1Confident67.1Low75 Ų7596.1 Ų96.133%0.32646%0.464SS..Hα-helixtrans-60.3-38.8176.5-173.6173.1172.7165.80112.8I602 N603 L792 Y793 N794I602-K796 HydrophobicContact CG2-CB 4.01Å; I602-K796 HydrophobicContact CG2-CD 4.15Å; I602-K796 HydrophobicContact CG2-CG 4.36Å; N603-K796 PolarHBondContact OD1-NZ 2.72Å; L792-K796 WeakPolarHBondContact O-CB 3.45Å; L792-K796 PolarHBondContact O-N 3.37Å; Y793-K796 WeakPolarHBondContact O-CB 3.4Å; Y793-K796 PolarHBondContact O-N 3.46Å; N794-K796 VanDerWaalsContact C-N 3.26Å; N794-K796 PolarHBondContact O-N 3Å
797Q68.6Low65.1Low116 Ų11699.7 Ų99.754%0.54248%0.482SS..Hα-helixtrans-76.9-41.3179.5-69.7-159.9-18.700112.7Y793 N794 I795 F799Y793-Q797 HydrophobicContact CE1-CG 4.14Å; Y793-Q797 VanDerWaalsContact CE1-NE2 3.3Å; Y793-Q797 PolarHBondContact O-N 2.86Å; Y793-Q797 VanDerWaalsContact O-N 3.15Å; Y793-Q797 PolarHBondContact OH-NE2 3.43Å; N794-Q797 PolarHBondContact O-N 3.19Å; I795-Q797 VanDerWaalsContact C-N 3.31Å; I795-Q797 PolarHBondContact O-N 3.41Å; Q797-F799 PolarHBondContact O-N 3.23Å
798T65Low63.3Low120 Ų120104.7 Ų104.774%0.73650%0.504SS*.Hα-helixtrans-70.2-31.6-176.2-50.40000112.4N794 I795 H800N794-T798 PolarHBondContact O-N 3.31Å; N794-T798 PolarHBondContact O-OG1 2.82Å; I795-T798 PolarHBondContact O-N 2.93Å; T798-H800 VanDerWaalsContact C-N 3.33Å; T798-H800 PolarHBondContact O-N 3.32Å; T798-H800 VanDerWaalsContact O-N 3.09Å
799F65Low61.9Low51 Ų51109.3 Ų109.322%0.22452%0.517CS..  trans-89.557.3-174-140-92.6000113.5L598 I795 Q797 F801 F991L598-F799 HydrophobicContact CD2-CB 4.4Å; L598-F799 HydrophobicContact CD2-CD1 3.78Å; L598-F799 HydrophobicContact CD2-CD2 4.23Å; L598-F799 HydrophobicContact CD2-CE1 4.03Å; L598-F799 HydrophobicContact CD2-CE2 4.46Å; L598-F799 HydrophobicContact CD2-CG 3.88Å; L598-F799 HydrophobicContact CD2-CZ 4.36Å; I795-F799 WeakPolarHBondContact O-CB 3.24Å; I795-F799 PolarHBondContact O-N 2.91Å; I795-F799 VanDerWaalsContact O-N 3.16Å; Q797-F799 PolarHBondContact O-N 3.23Å; F799-F801 HydrophobicContact CD1-CD2 4.25Å; F799-F801 HydrophobicContact CD1-CE2 4.19Å; F799-F801 HydrophobicContact CD2-CE2 4.41Å; F799-F801 HydrophobicContact CE1-CD2 4.13Å; F799-F801 AromaticContact CE1-CE2 3.88Å; F799-F801 HydrophobicContact CE1-CE2 3.88Å; F799-F801 HydrophobicContact CE2-CE2 4.11Å; F799-F801 HydrophobicContact CG-CE2 4.45Å; F799-F801 AromaticContact CZ-CE2 3.85Å; F799-F801 HydrophobicContact CZ-CE2 3.85Å; F799-F991 HydrophobicContact CE2-CE1 4.35Å; F799-F991 HydrophobicContact CE2-CZ 4.13Å
800H57.3Low60.7Low123 Ų123109 Ų10957%0.56952%0.515SS*.  trans-115.196.9176.2-130-79.4000110.9K599 T798K599-H800 PolarHBondContact NZ-NE2 3.49Å; T798-H800 VanDerWaalsContact C-N 3.33Å; T798-H800 PolarHBondContact O-N 3.32Å; T798-H800 VanDerWaalsContact O-N 3.09Å
801F56.6Low59.7Low119 Ų119111.8 Ų111.852%0.52253%0.528SS..  trans-93.5110.6177.5-76.5-83.1000111.7I591 F799I591-F801 HydrophobicContact CG2-CB 4.16Å; I591-F801 HydrophobicContact CG2-CD2 4.28Å; I591-F801 HydrophobicContact CG2-CG 4.16Å; F799-F801 HydrophobicContact CD1-CD2 4.25Å; F799-F801 HydrophobicContact CD1-CE2 4.19Å; F799-F801 HydrophobicContact CD2-CE2 4.41Å; F799-F801 HydrophobicContact CE1-CD2 4.13Å; F799-F801 AromaticContact CE1-CE2 3.88Å; F799-F801 HydrophobicContact CE1-CE2 3.88Å; F799-F801 HydrophobicContact CE2-CE2 4.11Å; F799-F801 HydrophobicContact CG-CE2 4.45Å; F799-F801 AromaticContact CZ-CE2 3.85Å; F799-F801 HydrophobicContact CZ-CE2 3.85Å
802T51.1Low58.8Low118 Ų118115.3 Ų115.372%0.72454%0.542SS*.  trans-107.2104.6167.643.80000109.9Q804T802-Q804 PolarHBondContact O-N 3.41Å
803I50.3Low57.9Low83 Ų83116.7 Ų116.743%0.42655%0.549SS..  trans-82.8105.4175.7-67161.8000108.4I588 R805I588-I803 HydrophobicContact CB-CD1 4.17Å; I588-I803 HydrophobicContact CD1-CG2 4.4Å; I588-I803 HydrophobicContact CG1-CD1 4.01Å; I588-I803 HydrophobicContact CG2-CD1 3.66Å; I803-R805 PolarHBondContact O-N 2.97Å
804Q46.6Very low57.2Low164 Ų164112.9 Ų112.977%0.76654%0.538SS*.  trans-82.3110.9168.6-72.9-175.1-27.400109.3T802 K806T802-Q804 PolarHBondContact O-N 3.41Å; Q804-K806 VanDerWaalsContact C-N 3.3Å; Q804-K806 PolarHBondContact O-N 3.35Å
805R47.8Very low56.8Low215 Ų215114 Ų11481%0.81154%0.544SS*.  trans-75.880.9174-160.9-179.1-170.9-168.5-0.4108.8I803 L807I803-R805 PolarHBondContact O-N 2.97Å; R805-L807 VanDerWaalsContact C-N 3.32Å; R805-L807 PolarHBondContact O-N 2.89Å; R805-L807 VanDerWaalsContact O-N 3.12Å
806K42Very low56.5Low184 Ų184117.7 Ų117.780%0.855%0.553SS**  trans-77.192.9161.5-78-172.9-179.81800106.7Q804 F808Q804-K806 VanDerWaalsContact C-N 3.3Å; Q804-K806 PolarHBondContact O-N 3.35Å; K806-F808 PolarHBondContact O-N 3Å
807L40.8Very low56.1Low112 Ų112115.5 Ų115.559%0.58654%0.543SS*.  trans-56.9112.6161.6-158.583.9000105.1R805 Q809R805-L807 VanDerWaalsContact C-N 3.32Å; R805-L807 PolarHBondContact O-N 2.89Å; R805-L807 VanDerWaalsContact O-N 3.12Å; L807-Q809 PolarHBondContact O-N 2.95Å
808F45.2Very low56Low154 Ų154113.4 Ų113.468%0.67554%0.536SS*.  trans-53.8118171.3-160.9-97.5000105.9K806 F810K806-F808 PolarHBondContact O-N 3Å; F808-F810 HydrophobicContact CB-CD2 4.35Å; F808-F810 HydrophobicContact CB-CE2 4.39Å; F808-F810 AromaticContact CD1-CD2 3.88Å; F808-F810 HydrophobicContact CD1-CD2 3.88Å; F808-F810 AromaticContact CD1-CE2 3.58Å; F808-F810 HydrophobicContact CD1-CE2 3.58Å; F808-F810 HydrophobicContact CD1-CZ 4.06Å; F808-F810 HydrophobicContact CE1-CE2 4.33Å; F808-F810 HydrophobicContact CE1-CZ 4.38Å; F808-F810 HydrophobicContact CG-CE2 4.39Å; F808-F810 PolarHBondContact O-N 2.91Å
809Q49.8Very low56.2Low145 Ų145114.2 Ų114.268%0.67853%0.531SS*.  trans-73.271-167.2-74.1176.2-36.700110.6L807 E811 Q812L807-Q809 PolarHBondContact O-N 2.95Å; Q809-E811 PolarHBondContact O-N 3.21Å; Q809-Q812 PolarHBondContact O-N 2.74Å
810F54.5Low56.3Low57 Ų57112.9 Ų112.925%0.2553%0.528CS..Hα-helixtrans-60.3-26.2175.4-95.1-72.9000112.4T565 N569 F808 Q812 I813 T814T565-F810 HydrophobicContact CG2-CD1 3.82Å; T565-F810 HydrophobicContact CG2-CE1 3.24Å; T565-F810 HydrophobicContact CG2-CZ 4.18Å; N569-F810 VanDerWaalsContact CG-CE2 3.44Å; N569-F810 WeakPolarHBondContact ND2-CD1 3.46Å; N569-F810 WeakPolarHBondContact ND2-CD2 3.21Å; N569-F810 WeakPolarHBondContact ND2-CE1 3.33Å; N569-F810 WeakPolarHBondContact ND2-CE2 3.27Å; N569-F810 WeakPolarHBondContact ND2-CG 3.28Å; N569-F810 WeakPolarHBondContact ND2-CZ 3.24Å; N569-F810 WeakPolarHBondContact OD1-CE2 3.02Å; N569-F810 WeakPolarHBondContact OD1-CZ 3.42Å; F808-F810 HydrophobicContact CB-CD2 4.35Å; F808-F810 HydrophobicContact CB-CE2 4.39Å; F808-F810 AromaticContact CD1-CD2 3.88Å; F808-F810 HydrophobicContact CD1-CD2 3.88Å; F808-F810 AromaticContact CD1-CE2 3.58Å; F808-F810 HydrophobicContact CD1-CE2 3.58Å; F808-F810 HydrophobicContact CD1-CZ 4.06Å; F808-F810 HydrophobicContact CE1-CE2 4.33Å; F808-F810 HydrophobicContact CE1-CZ 4.38Å; F808-F810 HydrophobicContact CG-CE2 4.39Å; F808-F810 PolarHBondContact O-N 2.91Å; F810-Q812 PolarHBondContact O-N 3.13Å; F810-I813 HydrophobicContact CD1-CD1 4.43Å; F810-I813 HydrophobicContact CE1-CD1 4.46Å; F810-I813 PolarHBondContact O-N 3.4Å; F810-I813 VanDerWaalsContact O-N 3.08Å; F810-T814 WeakPolarHBondContact O-CG2 3.26Å; F810-T814 PolarHBondContact O-N 3.34Å; F810-T814 PolarHBondContact O-OG1 2.96Å; F810-T814 VanDerWaalsContact O-OG1 3.13Å
811E58.9Low56.7Low145 Ų145108.1 Ų108.168%0.67851%0.509SS*.Hα-helixtrans-55.5-36.1-179.7-162.9171.8-16700112.9Q809 T814 N815Q809-E811 PolarHBondContact O-N 3.21Å; E811-T814 VanDerWaalsContact C-OG1 3.29Å; E811-T814 WeakPolarHBondContact CA-OG1 3.36Å; E811-T814 PolarHBondContact O-OG1 3.41Å; E811-N815 VanDerWaalsContact O-CB 3.27Å; E811-N815 WeakPolarHBondContact O-CB 3.31Å; E811-N815 PolarHBondContact O-N 3.12Å; E811-N815 PolarHBondContact O-ND2 3.48Å
812Q62.2Low57.4Low140 Ų140109.2 Ų109.265%0.65451%0.513SS*.Hα-helixtrans-72.1-40.1179.9-151.31681500111.6Q809 F810 W816Q809-Q812 PolarHBondContact O-N 2.74Å; F810-Q812 PolarHBondContact O-N 3.13Å; Q812-W816 WeakPolarHBondContact O-CB 3.41Å; Q812-W816 PolarHBondContact O-N 3.41Å
813I58.1Low58.2Low64 Ų64107 Ų10733%0.32850%0.5SS..Hα-helixtrans-68.5-42.9176.2-56.1178.2000109.7F810 W816 F817F810-I813 HydrophobicContact CD1-CD1 4.43Å; F810-I813 HydrophobicContact CE1-CD1 4.46Å; F810-I813 PolarHBondContact O-N 3.4Å; F810-I813 VanDerWaalsContact O-N 3.08Å; I813-W816 PolarHBondContact O-N 3.4Å; I813-F817 HydrophobicContact CG2-CD2 3.6Å; I813-F817 HydrophobicContact CG2-CE2 3.34Å; I813-F817 HydrophobicContact CG2-CZ 4.42Å; I813-F817 WeakPolarHBondContact O-CD2 3.43Å; I813-F817 PolarHBondContact O-N 3.47Å
814T60.9Low58.9Low36 Ų36105.3 Ų105.322%0.22149%0.491CS..Hα-helixtrans-65.2-39.4176.451.20000112.2Y562 F810 E811 F817 N818Y562-T814 HydrophobicContact CD2-CG2 4.46Å; Y562-T814 HydrophobicContact CE2-CG2 3.76Å; F810-T814 WeakPolarHBondContact O-CG2 3.26Å; F810-T814 PolarHBondContact O-N 3.34Å; F810-T814 PolarHBondContact O-OG1 2.96Å; F810-T814 VanDerWaalsContact O-OG1 3.13Å; E811-T814 VanDerWaalsContact C-OG1 3.29Å; E811-T814 WeakPolarHBondContact CA-OG1 3.36Å; E811-T814 PolarHBondContact O-OG1 3.41Å; T814-F817 PolarHBondContact O-N 3.35Å; T814-N818 VanDerWaalsContact O-CB 3.32Å; T814-N818 WeakPolarHBondContact O-CB 3.38Å; T814-N818 PolarHBondContact O-N 3.25Å; T814-N818 PolarHBondContact O-ND2 3.19Å
815N66.2Low60.1Low91 Ų91100.2 Ų100.249%0.48747%0.469SS..Hα-helixtrans-65.3-41.9175-78.8-15.4000111.4E811 N818 Q819E811-N815 VanDerWaalsContact O-CB 3.27Å; E811-N815 WeakPolarHBondContact O-CB 3.31Å; E811-N815 PolarHBondContact O-N 3.12Å; E811-N815 PolarHBondContact O-ND2 3.48Å; N815-N818 PolarHBondContact O-N 2.94Å; N815-Q819 VanDerWaalsContact O-CB 3.31Å; N815-Q819 WeakPolarHBondContact O-CB 3.46Å; N815-Q819 PolarHBondContact O-N 3.48Å
816W66.2Low61.2Low159 Ų15997.1 Ų97.160%0.60246%0.457SS*.Hα-helixtrans-60.8-47.1172.5-176.382.9000111.3Q812 I813 N818 Q819 S820Q812-W816 WeakPolarHBondContact O-CB 3.41Å; Q812-W816 PolarHBondContact O-N 3.41Å; I813-W816 PolarHBondContact O-N 3.4Å; W816-N818 PolarHBondContact O-N 2.93Å; W816-Q819 PolarHBondContact O-N 2.75Å; W816-S820 VanDerWaalsContact O-CB 3.27Å; W816-S820 WeakPolarHBondContact O-CB 3.48Å; W816-S820 PolarHBondContact O-N 3.41Å; W816-S820 PolarHBondContact O-OG 3Å
817F65.2Low62.6Low30 Ų3092.2 Ų92.213%0.13244%0.443CS..Hα-helixtrans-59.6-43.6175.9-83.8-61.3000112.8V558 A561 Y562 I813 T814 Q819 S821V558-F817 HydrophobicContact CG1-CD1 4.1Å; A561-F817 HydrophobicContact CB-CE1 4.25Å; A561-F817 HydrophobicContact CB-CZ 4.35Å; Y562-F817 HydrophobicContact CD2-CB 4.05Å; Y562-F817 HydrophobicContact CD2-CD2 4.31Å; Y562-F817 HydrophobicContact CD2-CG 4.35Å; I813-F817 HydrophobicContact CG2-CD2 3.6Å; I813-F817 HydrophobicContact CG2-CE2 3.34Å; I813-F817 HydrophobicContact CG2-CZ 4.42Å; I813-F817 WeakPolarHBondContact O-CD2 3.43Å; I813-F817 PolarHBondContact O-N 3.47Å; T814-F817 PolarHBondContact O-N 3.35Å; F817-Q819 VanDerWaalsContact C-N 3.33Å; F817-Q819 PolarHBondContact O-N 3.37Å; F817-S821 VanDerWaalsContact O-CB 3.27Å; F817-S821 WeakPolarHBondContact O-CB 3.28Å; F817-S821 PolarHBondContact O-N 2.9Å; F817-S821 PolarHBondContact O-OG 3.29Å
818N65.8Low64Low72 Ų7288 Ų8839%0.38542%0.421SS..Hα-helixtrans-66.7-33.7178.2-74.6-19.3000112.4T814 N815 W816 S821 K822T814-N818 VanDerWaalsContact O-CB 3.32Å; T814-N818 WeakPolarHBondContact O-CB 3.38Å; T814-N818 PolarHBondContact O-N 3.25Å; T814-N818 PolarHBondContact O-ND2 3.19Å; N815-N818 PolarHBondContact O-N 2.94Å; W816-N818 PolarHBondContact O-N 2.93Å; N818-S821 WeakPolarHBondContact CA-OG 3.46Å; N818-S821 PolarHBondContact O-OG 2.49Å; N818-S821 VanDerWaalsContact O-OG 3.1Å; N818-K822 WeakPolarHBondContact O-CG 3.49Å; N818-K822 PolarHBondContact O-N 2.91Å
819Q69.3Low65.3Low136 Ų13684.9 Ų84.964%0.63641%0.409SS*.Hα-helixtrans-76.8-46.3176.6-171.1171.2-7.500111.4N815 W816 F817 K822 V823N815-Q819 VanDerWaalsContact O-CB 3.31Å; N815-Q819 WeakPolarHBondContact O-CB 3.46Å; N815-Q819 PolarHBondContact O-N 3.48Å; W816-Q819 PolarHBondContact O-N 2.75Å; F817-Q819 VanDerWaalsContact C-N 3.33Å; F817-Q819 PolarHBondContact O-N 3.37Å; Q819-K822 PolarHBondContact O-N 2.9Å; Q819-V823 WeakPolarHBondContact O-CG2 3.34Å; Q819-V823 PolarHBondContact O-N 2.91Å
820S68Low66.5Low23 Ų2382.8 Ų82.816%0.16140%0.399CS..Hα-helixtrans-60.7-46.4177.7-58.10000111.6W816 K822 V823 I824W816-S820 VanDerWaalsContact O-CB 3.27Å; W816-S820 WeakPolarHBondContact O-CB 3.48Å; W816-S820 PolarHBondContact O-N 3.41Å; W816-S820 PolarHBondContact O-OG 3Å; S820-K822 PolarHBondContact O-N 3.41Å; S820-V823 PolarHBondContact O-N 3.45Å; S820-I824 WeakPolarHBondContact O-CB 3.35Å; S820-I824 WeakPolarHBondContact O-CD1 3.49Å; S820-I824 WeakPolarHBondContact O-CG1 3.37Å; S820-I824 PolarHBondContact O-N 3.47Å
821S65.8Low67.4Low23 Ų2383 Ų8316%0.16141%0.405CS..Hα-helixtrans-58.7-45.9176.952.90000112.1F817 N818 V823 I824 D825F817-S821 VanDerWaalsContact O-CB 3.27Å; F817-S821 WeakPolarHBondContact O-CB 3.28Å; F817-S821 PolarHBondContact O-N 2.9Å; F817-S821 PolarHBondContact O-OG 3.29Å; N818-S821 WeakPolarHBondContact CA-OG 3.46Å; N818-S821 PolarHBondContact O-OG 2.49Å; N818-S821 VanDerWaalsContact O-OG 3.1Å; S821-V823 PolarHBondContact O-N 3.46Å; S821-I824 PolarHBondContact O-N 3.16Å; S821-D825 VanDerWaalsContact O-CB 3.3Å; S821-D825 WeakPolarHBondContact O-CB 3.43Å; S821-D825 VanDerWaalsContact O-CG 3.22Å; S821-D825 PolarHBondContact O-N 2.88Å
822K69.9Low68.1Low142 Ų14279.1 Ų79.162%0.61739%0.386SS*.Hα-helixtrans-63.2-38.5176.2-73.6177.5-177.71790113.2N818 Q819 S820 R826N818-K822 WeakPolarHBondContact O-CG 3.49Å; N818-K822 PolarHBondContact O-N 2.91Å; Q819-K822 PolarHBondContact O-N 2.9Å; S820-K822 PolarHBondContact O-N 3.41Å; K822-R826 VanDerWaalsContact O-CB 3.31Å; K822-R826 WeakPolarHBondContact O-CB 3.39Å; K822-R826 PolarHBondContact O-N 3.38Å; K822-R826 VanDerWaalsContact O-N 3.07Å
823V67.8Low68.8Low72 Ų7277 Ų7744%0.43638%0.376SS..Hα-helixtrans-68.6-45177.8171.50000110.4Q819 S820 S821 R826 V827Q819-V823 WeakPolarHBondContact O-CG2 3.34Å; Q819-V823 PolarHBondContact O-N 2.91Å; S820-V823 PolarHBondContact O-N 3.45Å; S821-V823 PolarHBondContact O-N 3.46Å; V823-R826 PolarHBondContact O-N 3.43Å; V823-V827 HydrophobicContact CG1-CG2 4.4Å; V823-V827 WeakPolarHBondContact O-CB 3.09Å; V823-V827 VanDerWaalsContact O-CG2 3.28Å; V823-V827 WeakPolarHBondContact O-CG2 3.48Å; V823-V827 PolarHBondContact O-N 3.23Å
824I66.4Low69.9Low47 Ų4778.7 Ų78.724%0.24138%0.384CS..Hα-helixtrans-63.8-49.4177.8-63.4163000109.7I554 I555 V558 S820 S821 R826 V827 T828I554-I824 HydrophobicContact CG2-CG2 4.39Å; I555-I824 HydrophobicContact CD1-CG2 4.28Å; I555-I824 HydrophobicContact CG1-CG2 3.53Å; V558-I824 HydrophobicContact CG2-CD1 4.06Å; S820-I824 WeakPolarHBondContact O-CB 3.35Å; S820-I824 WeakPolarHBondContact O-CD1 3.49Å; S820-I824 WeakPolarHBondContact O-CG1 3.37Å; S820-I824 PolarHBondContact O-N 3.47Å; S821-I824 PolarHBondContact O-N 3.16Å; I824-R826 VanDerWaalsContact C-N 3.27Å; I824-R826 PolarHBondContact O-N 3.06Å; I824-V827 PolarHBondContact O-N 3.32Å; I824-T828 HydrophobicContact CG2-CG2 4.07Å; I824-T828 WeakPolarHBondContact O-CB 3.35Å; I824-T828 WeakPolarHBondContact O-CG2 3.5Å; I824-T828 PolarHBondContact O-N 2.88Å; I824-T828 PolarHBondContact O-OG1 3.41Å
825D70.3Confident70.7Confident57 Ų5779.5 Ų79.531%0.30539%0.387SS..Hα-helixtrans-56.4-40.7177.3-74.8-7.4000111.6I555 S821 T828 Q829I555-D825 VanDerWaalsContact CD1-OD1 3.24Å; I555-D825 WeakPolarHBondContact CD1-OD1 3.39Å; I555-D825 VanDerWaalsContact CG1-OD1 3.32Å; I555-D825 WeakPolarHBondContact CG1-OD1 3.17Å; I555-D825 WeakPolarHBondContact CG2-OD1 3.36Å; S821-D825 VanDerWaalsContact O-CB 3.3Å; S821-D825 WeakPolarHBondContact O-CB 3.43Å; S821-D825 VanDerWaalsContact O-CG 3.22Å; S821-D825 PolarHBondContact O-N 2.88Å; D825-T828 WeakPolarHBondContact CA-OG1 3.24Å; D825-T828 PolarHBondContact O-OG1 3.16Å; D825-Q829 VanDerWaalsContact O-CB 3.25Å; D825-Q829 WeakPolarHBondContact O-CB 3.2Å; D825-Q829 PolarHBondContact O-N 2.93Å
826R72.1Confident71.3Confident151 Ų15181 Ų8157%0.5739%0.387SS*.Hα-helixtrans-70.3-44.9178.7-167.7-173.2-56.1144.44.2112.6K822 V823 I824 T828 H830K822-R826 VanDerWaalsContact O-CB 3.31Å; K822-R826 WeakPolarHBondContact O-CB 3.39Å; K822-R826 PolarHBondContact O-N 3.38Å; K822-R826 VanDerWaalsContact O-N 3.07Å; V823-R826 PolarHBondContact O-N 3.43Å; I824-R826 VanDerWaalsContact C-N 3.27Å; I824-R826 PolarHBondContact O-N 3.06Å; R826-T828 VanDerWaalsContact C-N 3.34Å; R826-H830 WeakPolarHBondContact O-CB 3.37Å; R826-H830 PolarHBondContact O-CD2 2.93Å; R826-H830 PolarHBondContact O-N 3.34Å
827V71.2Confident72.2Confident81 Ų8177 Ų7749%0.49138%0.38SS..Hα-helixtrans-63.6-43.9178.8170.80000109.9V823 I824 T831V823-V827 HydrophobicContact CG1-CG2 4.4Å; V823-V827 WeakPolarHBondContact O-CB 3.09Å; V823-V827 VanDerWaalsContact O-CG2 3.28Å; V823-V827 WeakPolarHBondContact O-CG2 3.48Å; V823-V827 PolarHBondContact O-N 3.23Å; I824-V827 PolarHBondContact O-N 3.32Å; V827-T831 HydrophobicContact CG1-CG2 4.19Å; V827-T831 WeakPolarHBondContact O-CB 3.17Å; V827-T831 WeakPolarHBondContact O-CG2 3.36Å; V827-T831 PolarHBondContact O-N 3.39Å; V827-T831 PolarHBondContact O-OG1 2.85Å
828T69.2Low73.1Confident22 Ų2280.4 Ų80.414%0.13540%0.398CS..Hα-helixtrans-67.1-40.1179.755.20000113.1I555 I824 D825 R826 T831 K832I555-T828 HydrophobicContact CD1-CG2 3.96Å; I555-T828 WeakPolarHBondContact CD1-OG1 3.42Å; I824-T828 HydrophobicContact CG2-CG2 4.07Å; I824-T828 WeakPolarHBondContact O-CB 3.35Å; I824-T828 WeakPolarHBondContact O-CG2 3.5Å; I824-T828 PolarHBondContact O-N 2.88Å; I824-T828 PolarHBondContact O-OG1 3.41Å; D825-T828 WeakPolarHBondContact CA-OG1 3.24Å; D825-T828 PolarHBondContact O-OG1 3.16Å; R826-T828 VanDerWaalsContact C-N 3.34Å; T828-T831 WeakPolarHBondContact CA-OG1 3.21Å; T828-T831 PolarHBondContact O-OG1 3.47Å; T828-K832 WeakPolarHBondContact O-CB 3.42Å; T828-K832 PolarHBondContact O-N 2.99Å
829Q72.9Confident74Confident90 Ų9077.3 Ų77.342%0.42138%0.382SS..Hα-helixtrans-65.6-46.7176-173.3739.500111.3D825 K832 E833D825-Q829 VanDerWaalsContact O-CB 3.25Å; D825-Q829 WeakPolarHBondContact O-CB 3.2Å; D825-Q829 PolarHBondContact O-N 2.93Å; Q829-K832 PolarHBondContact O-N 3.15Å; Q829-E833 PolarHBondContact NE2-OE1 3.29Å; Q829-E833 VanDerWaalsContact NE2-OE1 3.16Å; Q829-E833 PolarHBondContact O-N 3.43Å
830H75.7Confident74.8Confident101 Ų10175.3 Ų75.347%0.46837%0.371SS..Hα-helixtrans-66.5-41.2178.2-73.8-50.4000112.4R826 K832 E833 I834R826-H830 WeakPolarHBondContact O-CB 3.37Å; R826-H830 PolarHBondContact O-CD2 2.93Å; R826-H830 PolarHBondContact O-N 3.34Å; H830-K832 VanDerWaalsContact C-N 3.31Å; H830-K832 PolarHBondContact O-N 3.02Å; H830-E833 PolarHBondContact O-N 3.05Å; H830-I834 WeakPolarHBondContact O-CB 3Å; H830-I834 WeakPolarHBondContact O-CD1 3.23Å; H830-I834 WeakPolarHBondContact O-CG1 3.47Å; H830-I834 PolarHBondContact O-N 3.47Å
831T73.6Confident75.7Confident62 Ų6279.3 Ų79.338%0.3839%0.39SS..Hα-helixtrans-64.6-38.7176.955.40000111.2V827 T828 I834 I835V827-T831 HydrophobicContact CG1-CG2 4.19Å; V827-T831 WeakPolarHBondContact O-CB 3.17Å; V827-T831 WeakPolarHBondContact O-CG2 3.36Å; V827-T831 PolarHBondContact O-N 3.39Å; V827-T831 PolarHBondContact O-OG1 2.85Å; T828-T831 WeakPolarHBondContact CA-OG1 3.21Å; T828-T831 PolarHBondContact O-OG1 3.47Å; T831-I834 PolarHBondContact O-N 3.47Å; T831-I835 WeakPolarHBondContact O-CB 3.41Å; T831-I835 WeakPolarHBondContact O-CD1 3.44Å; T831-I835 WeakPolarHBondContact O-CG1 3.41Å; T831-I835 PolarHBondContact O-N 3.29Å
832K72.4Confident76.7Confident63 Ų6379.5 Ų79.527%0.27439%0.391SS..Hα-helixtrans-59.6-51.1174.6172.9-179163.5-176.20112.2R548 T828 Q829 H830 I834 I835 Y836R548-K832 VanDerWaalsContact CZ-NZ 3.28Å; T828-K832 WeakPolarHBondContact O-CB 3.42Å; T828-K832 PolarHBondContact O-N 2.99Å; Q829-K832 PolarHBondContact O-N 3.15Å; H830-K832 VanDerWaalsContact C-N 3.31Å; H830-K832 PolarHBondContact O-N 3.02Å; K832-I834 VanDerWaalsContact C-N 3.34Å; K832-I834 PolarHBondContact O-N 3.03Å; K832-I835 PolarHBondContact O-N 3.46Å; K832-Y836 VanDerWaalsContact O-CB 3.24Å; K832-Y836 WeakPolarHBondContact O-CB 3.27Å; K832-Y836 PolarHBondContact O-N 3.22Å
833E77.8Confident77.5Confident94 Ų9473.4 Ų73.444%0.43937%0.365SS..Hα-helixtrans-63.2-41.8179.9-73173.4-168.600111.5Q829 H830 V837Q829-E833 PolarHBondContact NE2-OE1 3.29Å; Q829-E833 VanDerWaalsContact NE2-OE1 3.16Å; Q829-E833 PolarHBondContact O-N 3.43Å; H830-E833 PolarHBondContact O-N 3.05Å; E833-V837 WeakPolarHBondContact O-CB 3.25Å; E833-V837 WeakPolarHBondContact O-CG2 3.3Å; E833-V837 PolarHBondContact O-N 3.01Å
834I80.2Confident78.4Confident100 Ų10074.4 Ų74.451%0.51337%0.368SS..Hα-helixtrans-64.4-49178.5-69.2166.6000111H830 T831 K832 V837 I838H830-I834 WeakPolarHBondContact O-CB 3Å; H830-I834 WeakPolarHBondContact O-CD1 3.23Å; H830-I834 WeakPolarHBondContact O-CG1 3.47Å; H830-I834 PolarHBondContact O-N 3.47Å; T831-I834 PolarHBondContact O-N 3.47Å; K832-I834 VanDerWaalsContact C-N 3.34Å; K832-I834 PolarHBondContact O-N 3.03Å; I834-V837 PolarHBondContact O-N 2.73Å; I834-I838 HydrophobicContact CG2-CD1 3.63Å; I834-I838 HydrophobicContact CG2-CG1 4.41Å; I834-I838 WeakPolarHBondContact O-CB 3.46Å; I834-I838 WeakPolarHBondContact O-CG1 3.5Å; I834-I838 PolarHBondContact O-N 3.34Å
835I78.4Confident79.5Confident54 Ų5476.6 Ų76.628%0.27738%0.379SS..Hα-helixtrans-62.3-47179.9-67.6166.8000109.9E544 T831 K832 V837 I838 V839E544-I835 HydrophobicContact CB-CG2 3.82Å; E544-I835 HydrophobicContact CG-CG2 3.62Å; T831-I835 WeakPolarHBondContact O-CB 3.41Å; T831-I835 WeakPolarHBondContact O-CD1 3.44Å; T831-I835 WeakPolarHBondContact O-CG1 3.41Å; T831-I835 PolarHBondContact O-N 3.29Å; K832-I835 PolarHBondContact O-N 3.46Å; I835-V837 PolarHBondContact O-N 2.99Å; I835-I838 PolarHBondContact O-N 3.2Å; I835-V839 HydrophobicContact CG2-CG2 4.33Å; I835-V839 WeakPolarHBondContact O-CG2 3.49Å; I835-V839 PolarHBondContact O-N 3.46Å
836Y79.5Confident80.3Confident121 Ų12173.9 Ų73.948%0.47537%0.365SS..Hα-helixtrans-57.7-47.3178.6176.4-101000112.1E544 K832 V839 K840E544-Y836 WeakPolarHBondContact OE1-CA 3.28Å; K832-Y836 VanDerWaalsContact O-CB 3.24Å; K832-Y836 WeakPolarHBondContact O-CB 3.27Å; K832-Y836 PolarHBondContact O-N 3.22Å; Y836-V839 PolarHBondContact O-N 3.37Å; Y836-K840 HydrophobicContact CD1-CG 4.5Å; Y836-K840 HydrophobicContact CE1-CG 4.1Å; Y836-K840 HydrophobicContact CE2-CD 4.48Å; Y836-K840 VanDerWaalsContact CE2-CE 3.5Å; Y836-K840 HydrophobicContact CE2-CG 4.13Å; Y836-K840 WeakPolarHBondContact O-CG 3.45Å; Y836-K840 PolarHBondContact O-N 2.94Å; Y836-K840 VanDerWaalsContact OH-CE 3.31Å; Y836-K840 WeakPolarHBondContact OH-CE 3.49Å
837V84Confident81Confident76 Ų7669.7 Ų69.746%0.46135%0.349SS..Hα-helixtrans-63.2-43.2177.7170.50000110.9E833 I834 I835 V839 K840 L841E833-V837 WeakPolarHBondContact O-CB 3.25Å; E833-V837 WeakPolarHBondContact O-CG2 3.3Å; E833-V837 PolarHBondContact O-N 3.01Å; I834-V837 PolarHBondContact O-N 2.73Å; I835-V837 PolarHBondContact O-N 2.99Å; V837-V839 PolarHBondContact O-N 2.92Å; V837-K840 PolarHBondContact O-N 2.97Å; V837-L841 HydrophobicContact CG1-CD1 3.73Å; V837-L841 HydrophobicContact CG1-CG 4.15Å; V837-L841 WeakPolarHBondContact O-CB 3.2Å; V837-L841 VanDerWaalsContact O-CG 3.26Å; V837-L841 WeakPolarHBondContact O-CG 3.37Å; V837-L841 PolarHBondContact O-N 3.02Å
838I84.9Confident81.7Confident102 Ų10271.1 Ų71.152%0.52335%0.353SS..Hα-helixtrans-61.1-45.4177.4-72168.7000110.9I834 I835 L841 S842I834-I838 HydrophobicContact CG2-CD1 3.63Å; I834-I838 HydrophobicContact CG2-CG1 4.41Å; I834-I838 WeakPolarHBondContact O-CB 3.46Å; I834-I838 WeakPolarHBondContact O-CG1 3.5Å; I834-I838 PolarHBondContact O-N 3.34Å; I835-I838 PolarHBondContact O-N 3.2Å; I838-L841 PolarHBondContact O-N 3.06Å; I838-S842 VanDerWaalsContact O-CB 3.28Å; I838-S842 WeakPolarHBondContact O-CB 3.15Å; I838-S842 PolarHBondContact O-N 3.01Å; I838-S842 PolarHBondContact O-OG 3.03Å
839V85Confident82.5Confident6 Ų672.9 Ų72.94%0.03636%0.362CS..Hα-helixtrans-62.1-47.2178.4173.10000110.2I536 V540 I835 Y836 V837 L841 S842 L843I536-V839 HydrophobicContact CG2-CG1 4.28Å; V540-V839 HydrophobicContact CG1-CG2 3.76Å; I835-V839 HydrophobicContact CG2-CG2 4.33Å; I835-V839 WeakPolarHBondContact O-CG2 3.49Å; I835-V839 PolarHBondContact O-N 3.46Å; Y836-V839 PolarHBondContact O-N 3.37Å; V837-V839 PolarHBondContact O-N 2.92Å; V839-L841 PolarHBondContact O-N 3.48Å; V839-S842 WeakPolarHBondContact CA-OG 3.27Å; V839-S842 PolarHBondContact O-N 3.15Å; V839-S842 PolarHBondContact O-OG 3.04Å; V839-L843 HydrophobicContact CG1-CD1 4.34Å; V839-L843 WeakPolarHBondContact O-CG 3.4Å; V839-L843 PolarHBondContact O-N 3Å
840K85.1Confident83.2Confident95 Ų9569.3 Ų69.341%0.41334%0.344SS..Hα-helixtrans-63.3-43.5177.9-68.6-63.2-175.8-178.20113Y836 V837 S842 L843 I844Y836-K840 HydrophobicContact CD1-CG 4.5Å; Y836-K840 HydrophobicContact CE1-CG 4.1Å; Y836-K840 HydrophobicContact CE2-CD 4.48Å; Y836-K840 VanDerWaalsContact CE2-CE 3.5Å; Y836-K840 HydrophobicContact CE2-CG 4.13Å; Y836-K840 WeakPolarHBondContact O-CG 3.45Å; Y836-K840 PolarHBondContact O-N 2.94Å; Y836-K840 VanDerWaalsContact OH-CE 3.31Å; Y836-K840 WeakPolarHBondContact OH-CE 3.49Å; V837-K840 PolarHBondContact O-N 2.97Å; K840-S842 VanDerWaalsContact C-N 3.32Å; K840-S842 PolarHBondContact O-N 3.07Å; K840-L843 HydrophobicContact CD-CD1 4.47Å; K840-L843 PolarHBondContact O-N 2.66Å; K840-I844 WeakPolarHBondContact O-CG1 3.43Å; K840-I844 PolarHBondContact O-N 3.09Å
841L88.2Confident83.5Confident106 Ų10668.3 Ų68.356%0.55535%0.346SS*.Hα-helixtrans-63.3-39175.2-71.5176.5000111.7V837 I838 V839 I844 L845V837-L841 HydrophobicContact CG1-CD1 3.73Å; V837-L841 HydrophobicContact CG1-CG 4.15Å; V837-L841 WeakPolarHBondContact O-CB 3.2Å; V837-L841 VanDerWaalsContact O-CG 3.26Å; V837-L841 WeakPolarHBondContact O-CG 3.37Å; V837-L841 PolarHBondContact O-N 3.02Å; I838-L841 PolarHBondContact O-N 3.06Å; V839-L841 PolarHBondContact O-N 3.48Å; L841-I844 PolarHBondContact O-N 2.91Å; L841-L845 WeakPolarHBondContact O-CB 3.34Å; L841-L845 PolarHBondContact O-N 3.39Å
842S86.7Confident84Confident27 Ų2767.3 Ų67.319%0.18934%0.337CS..Hα-helixtrans-65.9-37.7176.576.10000112.2I536 I838 V839 K840 L845 T846I536-S842 WeakPolarHBondContact CG2-OG 3.31Å; I838-S842 VanDerWaalsContact O-CB 3.28Å; I838-S842 WeakPolarHBondContact O-CB 3.15Å; I838-S842 PolarHBondContact O-N 3.01Å; I838-S842 PolarHBondContact O-OG 3.03Å; V839-S842 WeakPolarHBondContact CA-OG 3.27Å; V839-S842 PolarHBondContact O-N 3.15Å; V839-S842 PolarHBondContact O-OG 3.04Å; K840-S842 VanDerWaalsContact C-N 3.32Å; K840-S842 PolarHBondContact O-N 3.07Å; S842-L845 WeakPolarHBondContact O-CB 3.36Å; S842-L845 PolarHBondContact O-N 2.71Å; S842-T846 WeakPolarHBondContact O-CG2 3.43Å; S842-T846 PolarHBondContact O-N 3.24Å; S842-T846 PolarHBondContact O-OG1 3.07Å
843L86.3Confident84.5Confident14 Ų1464.5 Ų64.57%0.07333%0.326CS..Hα-helixtrans-63.4-48.6172.8-70.8172.6000111.2I536 T537 V839 K840 L845 T846 Y847I536-L843 HydrophobicContact CB-CD2 4.3Å; I536-L843 HydrophobicContact CG2-CD2 3.52Å; I536-L843 HydrophobicContact CG2-CG 3.83Å; T537-L843 HydrophobicContact CG2-CD2 3.69Å; V839-L843 HydrophobicContact CG1-CD1 4.34Å; V839-L843 WeakPolarHBondContact O-CG 3.4Å; V839-L843 PolarHBondContact O-N 3Å; K840-L843 HydrophobicContact CD-CD1 4.47Å; K840-L843 PolarHBondContact O-N 2.66Å; L843-L845 VanDerWaalsContact C-N 3.27Å; L843-L845 PolarHBondContact O-N 3.35Å; L843-T846 WeakPolarHBondContact CA-OG1 3.15Å; L843-T846 PolarHBondContact O-N 3.21Å; L843-T846 VanDerWaalsContact O-N 3.1Å; L843-T846 PolarHBondContact O-OG1 3.16Å; L843-Y847 HydrophobicContact CB-CE2 4.19Å; L843-Y847 WeakPolarHBondContact O-CD2 3.41Å; L843-Y847 PolarHBondContact O-N 2.99Å
844I86.7Confident84.8Confident94 Ų9464.5 Ų64.548%0.48233%0.328SS..Hα-helixtrans-56.2-44.9175.9-65.8164.2000110.4K840 L841 T846 Y847 L848K840-I844 WeakPolarHBondContact O-CG1 3.43Å; K840-I844 PolarHBondContact O-N 3.09Å; L841-I844 PolarHBondContact O-N 2.91Å; I844-T846 PolarHBondContact O-N 3.16Å; I844-Y847 PolarHBondContact O-N 3.04Å; I844-L848 HydrophobicContact CG2-CD1 4.09Å; I844-L848 HydrophobicContact CG2-CG 4.44Å; I844-L848 WeakPolarHBondContact O-CG 3.16Å; I844-L848 PolarHBondContact O-N 2.04Å
845L88.9Confident85.2Confident92 Ų9262.6 Ų62.648%0.48232%0.322SS..Hα-helixtrans-59.2-45.8176.317862.7000111.9L841 S842 L843 Y847 L848 L849L841-L845 WeakPolarHBondContact O-CB 3.34Å; L841-L845 PolarHBondContact O-N 3.39Å; S842-L845 WeakPolarHBondContact O-CB 3.36Å; S842-L845 PolarHBondContact O-N 2.71Å; L843-L845 VanDerWaalsContact C-N 3.27Å; L843-L845 PolarHBondContact O-N 3.35Å; L845-Y847 VanDerWaalsContact C-N 3.33Å; L845-Y847 PolarHBondContact O-N 3.37Å; L845-L848 PolarHBondContact O-N 2.82Å; L845-L849 HydrophobicContact CD1-CD1 4.16Å; L845-L849 HydrophobicContact CD1-CG 4.21Å; L845-L849 HydrophobicContact CG-CD1 4.02Å; L845-L849 HydrophobicContact CG-CG 4.47Å; L845-L849 WeakPolarHBondContact O-CB 3.38Å; L845-L849 VanDerWaalsContact O-CG 3.32Å; L845-L849 WeakPolarHBondContact O-CG 3.47Å; L845-L849 PolarHBondContact O-N 3.02Å
846T88.6Confident85.5Confident0 Ų060.2 Ų60.20%031%0.309CS..Hα-helixtrans-62-40.6177.656.90000112.3N529 L532 H533 I536 S842 L843 I844 L849 R850N529-T846 PolarHBondContact ND2-O 2.97Å; N529-T846 WeakPolarHBondContact OD1-CA 3.38Å; L532-T846 HydrophobicContact CB-CG2 4.48Å; L532-T846 HydrophobicContact CD2-CG2 3.9Å; L532-T846 HydrophobicContact CG-CG2 3.88Å; H533-T846 HydrophobicContact CB-CG2 4.22Å; H533-T846 PolarHBondContact CD2-OG1 3.47Å; I536-T846 HydrophobicContact CD1-CG2 3.6Å; S842-T846 WeakPolarHBondContact O-CG2 3.43Å; S842-T846 PolarHBondContact O-N 3.24Å; S842-T846 PolarHBondContact O-OG1 3.07Å; L843-T846 WeakPolarHBondContact CA-OG1 3.15Å; L843-T846 PolarHBondContact O-N 3.21Å; L843-T846 VanDerWaalsContact O-N 3.1Å; L843-T846 PolarHBondContact O-OG1 3.16Å; I844-T846 PolarHBondContact O-N 3.16Å; T846-L849 PolarHBondContact O-N 3.16Å; T846-R850 WeakPolarHBondContact O-CG 3.2Å; T846-R850 PolarHBondContact O-N 3.33Å
847Y85.3Confident85.9Confident64 Ų6456.3 Ų56.325%0.25130%0.295SS..Hα-helixtrans-64.9-41.7176.5-66.6-53.2000112.3P454 H533 L843 I844 L845 L849 R850P454-Y847 HydrophobicContact CB-CD1 3.93Å; P454-Y847 HydrophobicContact CB-CE1 3.34Å; P454-Y847 HydrophobicContact CB-CE2 4.27Å; H533-Y847 AromaticContact NE2-CE1 3.56Å; H533-Y847 AromaticContact NE2-CZ 3.65Å; H533-Y847 PolarHBondContact NE2-OH 3.44Å; L843-Y847 HydrophobicContact CB-CE2 4.19Å; L843-Y847 WeakPolarHBondContact O-CD2 3.41Å; L843-Y847 PolarHBondContact O-N 2.99Å; I844-Y847 PolarHBondContact O-N 3.04Å; L845-Y847 VanDerWaalsContact C-N 3.33Å; L845-Y847 PolarHBondContact O-N 3.37Å; Y847-L849 VanDerWaalsContact C-N 3.32Å; Y847-L849 PolarHBondContact O-N 3.41Å; Y847-R850 WeakPolarHBondContact O-CB 3.4Å; Y847-R850 PolarHBondContact O-N 3.42Å
848L86Confident86.1Confident110 Ų11059.6 Ų59.658%0.57630%0.3SS*.Hα-helixtrans-60.8-42.2173.4-69.4172.9000111.4I844 L845 R850 T851I844-L848 HydrophobicContact CG2-CD1 4.09Å; I844-L848 HydrophobicContact CG2-CG 4.44Å; I844-L848 WeakPolarHBondContact O-CG 3.16Å; I844-L848 PolarHBondContact O-N 2.04Å; L845-L848 PolarHBondContact O-N 2.82Å; L848-R850 VanDerWaalsContact C-N 3.28Å; L848-R850 PolarHBondContact O-N 3.32Å; L848-T851 WeakPolarHBondContact O-CB 3.47Å; L848-T851 WeakPolarHBondContact O-CG2 3.34Å; L848-T851 PolarHBondContact O-N 3.21Å; L848-T851 PolarHBondContact O-OG1 2.93Å
849L87.4Confident86.4Confident60 Ų6059.1 Ų59.131%0.31429%0.294SS..Hα-helixtrans-68.1-22.7177.8-71.7173.2000113.2N529 L845 T846 Y847 T851 I852N529-L849 HydrophobicContact CB-CB 4.2Å; N529-L849 VanDerWaalsContact CG-CB 3.42Å; N529-L849 VanDerWaalsContact OD1-CB 3.3Å; N529-L849 WeakPolarHBondContact OD1-CB 3.35Å; N529-L849 WeakPolarHBondContact OD1-CD1 3.23Å; L845-L849 HydrophobicContact CD1-CD1 4.16Å; L845-L849 HydrophobicContact CD1-CG 4.21Å; L845-L849 HydrophobicContact CG-CD1 4.02Å; L845-L849 HydrophobicContact CG-CG 4.47Å; L845-L849 WeakPolarHBondContact O-CB 3.38Å; L845-L849 VanDerWaalsContact O-CG 3.32Å; L845-L849 WeakPolarHBondContact O-CG 3.47Å; L845-L849 PolarHBondContact O-N 3.02Å; T846-L849 PolarHBondContact O-N 3.16Å; Y847-L849 VanDerWaalsContact C-N 3.32Å; Y847-L849 PolarHBondContact O-N 3.41Å; L849-T851 PolarHBondContact O-N 2.88Å; L849-I852 HydrophobicContact CB-CD1 4.34Å; L849-I852 HydrophobicContact CD2-CD1 3.76Å; L849-I852 WeakPolarHBondContact O-CB 3.4Å; L849-I852 WeakPolarHBondContact O-CD1 3.4Å; L849-I852 WeakPolarHBondContact O-CG1 3.17Å; L849-I852 PolarHBondContact O-N 3.4Å; L849-I852 VanDerWaalsContact O-N 3.09Å
850R86.2Confident86.7Confident14 Ų1458.9 Ų58.95%0.05329%0.293CS..Hα-helixtrans-63.9-23.8172.8-67.9-167.6179.6-168.9-13.3112.6A450 T451 Y526 N529 E530 T846 Y847 L848 I852 C853A450-R850 PolarHBondContact O-NH1 3.43Å; T451-R850 WeakPolarHBondContact O-CB 3.27Å; T451-R850 WeakPolarHBondContact O-CD 3.45Å; Y526-R850 HydrophobicContact CE2-CB 4.43Å; Y526-R850 HydrophobicContact CE2-CG 4.43Å; N529-R850 VanDerWaalsContact ND2-CG 3.32Å; N529-R850 WeakPolarHBondContact ND2-CG 3.22Å; N529-R850 PolarHBondContact ND2-N 3.16Å; E530-R850 WeakPolarHBondContact OE1-CD 3.34Å; E530-R850 IonicContact OE1-CZ 3.79Å; E530-R850 IonicContact OE1-NE 2.7Å; E530-R850 PolarHBondContact OE1-NE 2.87Å; E530-R850 IonicContact OE1-NH2 2.75Å; E530-R850 IonicContact OE2-CZ 3.81Å; E530-R850 IonicContact OE2-NE 2.76Å; E530-R850 PolarHBondContact OE2-NE 2.88Å; E530-R850 IonicContact OE2-NH2 3.19Å; E530-R850 PolarHBondContact OE2-NH2 2.85Å; T846-R850 WeakPolarHBondContact O-CG 3.2Å; T846-R850 PolarHBondContact O-N 3.33Å; Y847-R850 WeakPolarHBondContact O-CB 3.4Å; Y847-R850 PolarHBondContact O-N 3.42Å; L848-R850 VanDerWaalsContact C-N 3.28Å; L848-R850 PolarHBondContact O-N 3.32Å; R850-I852 PolarHBondContact O-N 2.8Å; R850-I852 VanDerWaalsContact O-N 3.08Å; R850-C853 VanDerWaalsContact O-CB 3.25Å; R850-C853 WeakPolarHBondContact O-CB 3.06Å; R850-C853 PolarHBondContact O-N 2.88Å
851T82Confident87Confident81 Ų8157.8 Ų57.850%0.49729%0.289SS..THydrogen-bonded Turntrans-62.1-16.1173.6700000113.4L848 L849 C853 L854L848-T851 WeakPolarHBondContact O-CB 3.47Å; L848-T851 WeakPolarHBondContact O-CG2 3.34Å; L848-T851 PolarHBondContact O-N 3.21Å; L848-T851 PolarHBondContact O-OG1 2.93Å; L849-T851 PolarHBondContact O-N 2.88Å; T851-C853 PolarHBondContact O-N 2.92Å; T851-C853 VanDerWaalsContact O-N 3.11Å; T851-L854 WeakPolarHBondContact O-CB 3.48Å; T851-L854 PolarHBondContact O-N 2.81Å
852I84.9Confident87.2Confident40 Ų4054.8 Ų54.821%0.20527%0.273CS..Hα-helixtrans-57.2-24.7170.4-65.3170.9000111.5I522 L849 R850 L854 V855 V856I522-I852 HydrophobicContact CG2-CG2 3.73Å; L849-I852 HydrophobicContact CB-CD1 4.34Å; L849-I852 HydrophobicContact CD2-CD1 3.76Å; L849-I852 WeakPolarHBondContact O-CB 3.4Å; L849-I852 WeakPolarHBondContact O-CD1 3.4Å; L849-I852 WeakPolarHBondContact O-CG1 3.17Å; L849-I852 PolarHBondContact O-N 3.4Å; L849-I852 VanDerWaalsContact O-N 3.09Å; R850-I852 PolarHBondContact O-N 2.8Å; R850-I852 VanDerWaalsContact O-N 3.08Å; I852-L854 PolarHBondContact O-N 3.38Å; I852-V855 WeakPolarHBondContact O-CA 3.25Å; I852-V855 VanDerWaalsContact O-CB 3.28Å; I852-V855 WeakPolarHBondContact O-CB 3.48Å; I852-V855 PolarHBondContact O-N 3.2Å; I852-V856 PolarHBondContact O-N 3.09Å
853C83.1Confident87.5Confident5 Ų554.2 Ų54.23%0.03427%0.267CS..Hα-helixtrans-53.3-40.7172.4-169.30000111.7Y526 R850 T851 V855 V856 F857Y526-C853 HydrophobicContact CD2-CB 4.02Å; Y526-C853 HydrophobicContact CE2-CB 4.21Å; R850-C853 VanDerWaalsContact O-CB 3.25Å; R850-C853 WeakPolarHBondContact O-CB 3.06Å; R850-C853 PolarHBondContact O-N 2.88Å; T851-C853 PolarHBondContact O-N 2.92Å; T851-C853 VanDerWaalsContact O-N 3.11Å; C853-V855 PolarHBondContact O-N 3.06Å; C853-V856 VanDerWaalsContact O-CB 3.26Å; C853-V856 WeakPolarHBondContact O-CB 3.4Å; C853-V856 PolarHBondContact O-N 3.14Å; C853-F857 WeakPolarHBondContact O-CD2 3.24Å; C853-F857 PolarHBondContact O-N 3.35Å
854L84.5Confident87.7Confident93 Ų9353.5 Ų53.549%0.48726%0.263SS..Hα-helixtrans-61.4-32176.9-65.7172.3000112.5F448 T851 I852 V856 F857 Y858F448-L854 HydrophobicContact CE2-CD2 3.72Å; F448-L854 HydrophobicContact CZ-CD2 3.73Å; T851-L854 WeakPolarHBondContact O-CB 3.48Å; T851-L854 PolarHBondContact O-N 2.81Å; I852-L854 PolarHBondContact O-N 3.38Å; L854-V856 VanDerWaalsContact C-N 3.28Å; L854-V856 PolarHBondContact O-N 3.43Å; L854-F857 PolarHBondContact O-N 3.44Å; L854-Y858 WeakPolarHBondContact O-CB 3.39Å; L854-Y858 PolarHBondContact O-N 3.37Å
855V86.7Confident88.1Confident61 Ų6150.7 Ų50.737%0.3725%0.25SS..Hα-helixtrans-67.5-31.3175.8-1740000111I522 I852 C853 Y858 K859I522-V855 HydrophobicContact CD1-CG1 4.21Å; I522-V855 HydrophobicContact CG2-CB 4.21Å; I522-V855 HydrophobicContact CG2-CG1 4.11Å; I852-V855 WeakPolarHBondContact O-CA 3.25Å; I852-V855 VanDerWaalsContact O-CB 3.28Å; I852-V855 WeakPolarHBondContact O-CB 3.48Å; I852-V855 PolarHBondContact O-N 3.2Å; C853-V855 PolarHBondContact O-N 3.06Å; V855-Y858 PolarHBondContact O-N 3.24Å; V855-K859 HydrophobicContact CG1-CG 4.32Å; V855-K859 WeakPolarHBondContact O-CB 3.07Å; V855-K859 VanDerWaalsContact O-CG 3.28Å; V855-K859 WeakPolarHBondContact O-CG 3.42Å; V855-K859 PolarHBondContact O-N 2.93Å
856V86.3Confident88.3Confident4 Ų449.3 Ų49.32%0.02424%0.243CC..Hα-helixtrans-63.8-46.3173.8-177.10000110.4I522 I852 C853 L854 K859 A860I522-V856 HydrophobicContact CG2-CG2 3.9Å; I852-V856 PolarHBondContact O-N 3.09Å; C853-V856 VanDerWaalsContact O-CB 3.26Å; C853-V856 WeakPolarHBondContact O-CB 3.4Å; C853-V856 PolarHBondContact O-N 3.14Å; L854-V856 VanDerWaalsContact C-N 3.28Å; L854-V856 PolarHBondContact O-N 3.43Å; V856-K859 PolarHBondContact O-N 3.26Å; V856-A860 PolarHBondContact O-N 3.07Å
857F86.4Confident88.5Confident39 Ų3949.3 Ų49.317%0.17124%0.243CC..Hα-helixtrans-61-45.8174.8-78.4-102000111.4F448 L510 I514 C853 L854 K859 A860 H861F448-F857 AromaticContact CD2-CE2 3.74Å; F448-F857 HydrophobicContact CD2-CE2 3.74Å; F448-F857 AromaticContact CD2-CZ 3.91Å; F448-F857 HydrophobicContact CD2-CZ 3.91Å; F448-F857 HydrophobicContact CE2-CE2 4.13Å; F448-F857 HydrophobicContact CE2-CZ 4.49Å; L510-F857 HydrophobicContact CD2-CD1 4.04Å; L510-F857 HydrophobicContact CD2-CE1 4.48Å; I514-F857 HydrophobicContact CD1-CD1 3.74Å; I514-F857 HydrophobicContact CD1-CE1 3.19Å; I514-F857 HydrophobicContact CD1-CE2 4.21Å; I514-F857 HydrophobicContact CD1-CG 4.46Å; I514-F857 HydrophobicContact CD1-CZ 3.46Å; I514-F857 VanDerWaalsContact CD1-CZ 3.46Å; I514-F857 HydrophobicContact CG1-CD1 4.3Å; I514-F857 HydrophobicContact CG1-CE1 4.18Å; I514-F857 HydrophobicContact CG1-CZ 4.42Å; C853-F857 WeakPolarHBondContact O-CD2 3.24Å; C853-F857 PolarHBondContact O-N 3.35Å; L854-F857 PolarHBondContact O-N 3.44Å; F857-K859 PolarHBondContact O-N 3.37Å; F857-A860 PolarHBondContact O-N 2.82Å; F857-H861 WeakPolarHBondContact O-CB 3.32Å; F857-H861 PolarHBondContact O-N 2.89Å
858Y89.7Confident88.8Confident145 Ų14548.5 Ų48.557%0.56924%0.243SC*.Hα-helixtrans-61.4-43178179.9-119.3000112L854 V855 H861 I862L854-Y858 WeakPolarHBondContact O-CB 3.39Å; L854-Y858 PolarHBondContact O-N 3.37Å; V855-Y858 PolarHBondContact O-N 3.24Å; Y858-H861 WeakPolarHBondContact O-CB 3.35Å; Y858-H861 PolarHBondContact O-N 2.88Å; Y858-I862 HydrophobicContact CD1-CD1 3.56Å; Y858-I862 HydrophobicContact CD2-CD1 4.15Å; Y858-I862 HydrophobicContact CD2-CG1 4.34Å; Y858-I862 HydrophobicContact CE1-CD1 3.14Å; Y858-I862 HydrophobicContact CE1-CG1 4.23Å; Y858-I862 HydrophobicContact CE2-CD1 3.77Å; Y858-I862 HydrophobicContact CE2-CG1 3.98Å; Y858-I862 HydrophobicContact CG-CD1 4.05Å; Y858-I862 WeakPolarHBondContact O-CG1 3.43Å; Y858-I862 PolarHBondContact O-N 3.41Å
859K89.9Confident89.1Confident92 Ų9249.5 Ų49.540%0.425%0.248SC..Hα-helixtrans-65.1-40175.8-76.9-75.9-177.9-177.50112.4I522 V855 V856 F857 I862 Y863I522-K859 HydrophobicContact CD1-CD 4.23Å; I522-K859 HydrophobicContact CD1-CG 3.85Å; V855-K859 HydrophobicContact CG1-CG 4.32Å; V855-K859 WeakPolarHBondContact O-CB 3.07Å; V855-K859 VanDerWaalsContact O-CG 3.28Å; V855-K859 WeakPolarHBondContact O-CG 3.42Å; V855-K859 PolarHBondContact O-N 2.93Å; V856-K859 PolarHBondContact O-N 3.26Å; F857-K859 PolarHBondContact O-N 3.37Å; K859-I862 PolarHBondContact O-N 3.49Å; K859-Y863 WeakPolarHBondContact O-CB 3.37Å; K859-Y863 PolarHBondContact O-N 2.87Å
860A91Very high89.4Confident0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-62.3-44.7173.700000110.9L513 V856 F857 Y863 I864L513-A860 HydrophobicContact CB-CB 4.39Å; V856-A860 PolarHBondContact O-N 3.07Å; F857-A860 PolarHBondContact O-N 2.82Å; A860-Y863 PolarHBondContact O-N 2.86Å; A860-I864 WeakPolarHBondContact O-CG1 3.16Å; A860-I864 PolarHBondContact O-N 2.77Å
861H91.8Very high89.5Confident73 Ų7350.3 Ų50.334%0.33826%0.255SS..Hα-helixtrans-61.4-46.2176.2179-91000113R506 L510 F857 Y858 Y863 I864 T865R506-H861 PolarHBondContact NH2-CD2 2.99Å; R506-H861 PolarHBondContact NH2-NE2 2.86Å; L510-H861 HydrophobicContact CD1-CB 3.88Å; F857-H861 WeakPolarHBondContact O-CB 3.32Å; F857-H861 PolarHBondContact O-N 2.89Å; Y858-H861 WeakPolarHBondContact O-CB 3.35Å; Y858-H861 PolarHBondContact O-N 2.88Å; H861-Y863 VanDerWaalsContact C-N 3.29Å; H861-Y863 PolarHBondContact O-N 3.04Å; H861-I864 PolarHBondContact O-N 3.33Å; H861-T865 PolarHBondContact CE1-OG1 3.1Å; H861-T865 WeakPolarHBondContact O-CB 3.26Å; H861-T865 PolarHBondContact O-N 3.2Å; H861-T865 PolarHBondContact O-OG1 2.77Å
862I92.3Very high89.8Confident42 Ų4249.8 Ų49.822%0.21525%0.249CC..Hα-helixtrans-60.5-42175.5-71.1163.5000110.3Y858 K859 I864 T865 N866Y858-I862 HydrophobicContact CD1-CD1 3.56Å; Y858-I862 HydrophobicContact CD2-CD1 4.15Å; Y858-I862 HydrophobicContact CD2-CG1 4.34Å; Y858-I862 HydrophobicContact CE1-CD1 3.14Å; Y858-I862 HydrophobicContact CE1-CG1 4.23Å; Y858-I862 HydrophobicContact CE2-CD1 3.77Å; Y858-I862 HydrophobicContact CE2-CG1 3.98Å; Y858-I862 HydrophobicContact CG-CD1 4.05Å; Y858-I862 WeakPolarHBondContact O-CG1 3.43Å; Y858-I862 PolarHBondContact O-N 3.41Å; K859-I862 PolarHBondContact O-N 3.49Å; I862-I864 PolarHBondContact O-N 3.15Å; I862-T865 PolarHBondContact O-N 3.34Å; I862-T865 VanDerWaalsContact O-N 3.16Å; I862-N866 WeakPolarHBondContact CG2-ND2 3.42Å; I862-N866 WeakPolarHBondContact O-CB 3.18Å; I862-N866 PolarHBondContact O-N 3.4Å
863Y92.9Very high90.1Very high15 Ų1550.1 Ų50.16%0.05925%0.25CS..Hα-helixtrans-62.4-44.3180-174-99.6000111.7K859 A860 H861 T865 Y867 H873 D874 R1053 L1057K859-Y863 WeakPolarHBondContact O-CB 3.37Å; K859-Y863 PolarHBondContact O-N 2.87Å; A860-Y863 PolarHBondContact O-N 2.86Å; H861-Y863 VanDerWaalsContact C-N 3.29Å; H861-Y863 PolarHBondContact O-N 3.04Å; Y863-T865 VanDerWaalsContact C-N 3.31Å; Y863-T865 PolarHBondContact O-N 3.44Å; Y863-Y867 WeakPolarHBondContact O-CB 3.48Å; Y863-Y867 PolarHBondContact O-N 2.9Å; Y863-H873 AromaticContact CD2-NE2 3.36Å; Y863-H873 WeakPolarHBondContact CD2-NE2 3.46Å; Y863-H873 AromaticContact CE2-NE2 3.48Å; Y863-H873 WeakPolarHBondContact CE2-NE2 3.14Å; Y863-D874 HydrophobicContact CE2-CB 4.29Å; Y863-D874 PolarHBondContact OH-OD2 2.82Å; Y863-R1053 HydrophobicContact CD1-CB 4.45Å; Y863-R1053 HydrophobicContact CE1-CB 3.63Å; Y863-L1057 HydrophobicContact CD1-CD1 3.59Å; Y863-L1057 HydrophobicContact CE1-CD1 3.3Å; Y863-L1057 HydrophobicContact CE1-CG 4.43Å
864I92.2Very high90.3Very high0 Ų051.6 Ų51.60%026%0.258CS..Hα-helixtrans-58-47.5172.4-61.6165.6000110.2L510 L513 A860 H861 I862 Y867 L868 L1057 Y1061L510-I864 HydrophobicContact CB-CD1 3.8Å; L510-I864 HydrophobicContact CD1-CD1 4.24Å; L510-I864 HydrophobicContact CG-CD1 4.36Å; L513-I864 HydrophobicContact CD1-CD1 3.75Å; L513-I864 HydrophobicContact CD1-CG1 3.35Å; A860-I864 WeakPolarHBondContact O-CG1 3.16Å; A860-I864 PolarHBondContact O-N 2.77Å; H861-I864 PolarHBondContact O-N 3.33Å; I862-I864 PolarHBondContact O-N 3.15Å; I864-Y867 PolarHBondContact O-N 3.26Å; I864-L868 HydrophobicContact CG2-CD1 3.89Å; I864-L868 HydrophobicContact CG2-CG 4.47Å; I864-L868 VanDerWaalsContact O-CG 3.25Å; I864-L868 WeakPolarHBondContact O-CG 3.34Å; I864-L868 PolarHBondContact O-N 3Å; I864-L1057 HydrophobicContact CG1-CD2 4.17Å; I864-Y1061 HydrophobicContact CG2-CE2 4.28Å
865T93.7Very high90.5Very high35 Ų3547.6 Ų47.622%0.21524%0.237CC..Hα-helixtrans-64.7-47-175.6-56.60000111.4R506 H861 I862 Y863 Y867 L868 L869R506-T865 PolarHBondContact NH2-OG1 3.46Å; R506-T865 VanDerWaalsContact NH2-OG1 3.1Å; H861-T865 PolarHBondContact CE1-OG1 3.1Å; H861-T865 WeakPolarHBondContact O-CB 3.26Å; H861-T865 PolarHBondContact O-N 3.2Å; H861-T865 PolarHBondContact O-OG1 2.77Å; I862-T865 PolarHBondContact O-N 3.34Å; I862-T865 VanDerWaalsContact O-N 3.16Å; Y863-T865 VanDerWaalsContact C-N 3.31Å; Y863-T865 PolarHBondContact O-N 3.44Å; T865-Y867 PolarHBondContact O-N 3.48Å; T865-L868 PolarHBondContact O-N 3.36Å; T865-L869 HydrophobicContact CG2-CD1 3.66Å; T865-L869 HydrophobicContact CG2-CG 4.32Å; T865-L869 WeakPolarHBondContact O-CB 3.07Å; T865-L869 WeakPolarHBondContact O-CG 3.3Å; T865-L869 PolarHBondContact O-N 3.03Å
866N94.6Very high90.4Very high62 Ų6247.7 Ų47.733%0.33224%0.235SC..Hα-helixtrans-65.6-38.4176.8-69.4-6.4000111.9I862 L868 L869 D870 H873I862-N866 WeakPolarHBondContact CG2-ND2 3.42Å; I862-N866 WeakPolarHBondContact O-CB 3.18Å; I862-N866 PolarHBondContact O-N 3.4Å; N866-L868 VanDerWaalsContact C-N 3.26Å; N866-L868 PolarHBondContact O-N 3.22Å; N866-L869 PolarHBondContact O-N 3.29Å; N866-D870 PolarHBondContact O-N 3.1Å; N866-H873 HydrophobicContact CB-CB 4.44Å
867Y92.6Very high90.4Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-60.2-37.9174.7179.5-78.7000112.1Y863 I864 T865 H1054 L1057 N1058 R1064 R1068Y863-Y867 WeakPolarHBondContact O-CB 3.48Å; Y863-Y867 PolarHBondContact O-N 2.9Å; I864-Y867 PolarHBondContact O-N 3.26Å; T865-Y867 PolarHBondContact O-N 3.48Å; Y867-H1054 AromaticContact CE2-ND1 3.93Å; Y867-L1057 HydrophobicContact CD1-CB 4.12Å; Y867-L1057 HydrophobicContact CD1-CD1 4.04Å; Y867-L1057 HydrophobicContact CD2-CB 3.93Å; Y867-L1057 HydrophobicContact CD2-CD1 3.46Å; Y867-L1057 VanDerWaalsContact CD2-CD1 3.46Å; Y867-L1057 HydrophobicContact CD2-CG 4.33Å; Y867-L1057 HydrophobicContact CE1-CB 3.93Å; Y867-L1057 HydrophobicContact CE2-CB 3.71Å; Y867-L1057 HydrophobicContact CE2-CD1 4.13Å; Y867-L1057 HydrophobicContact CG-CB 4.17Å; Y867-L1057 HydrophobicContact CG-CD1 3.45Å; Y867-L1057 VanDerWaalsContact CG-CD1 3.45Å; Y867-L1057 HydrophobicContact CG-CG 4.34Å; Y867-N1058 PolarHBondContact OH-OD1 3.19Å; Y867-R1064 HydrophobicContact CD1-CG 4.3Å; Y867-R1064 HydrophobicContact CE1-CB 4.41Å; Y867-R1064 HydrophobicContact CE1-CG 3.91Å; Y867-R1064 PolarHBondContact O-NE 3.42Å; Y867-R1068 VanDerWaalsContact CD2-CZ 3.5Å; Y867-R1068 VanDerWaalsContact CE2-NH1 3.33Å
868L90.6Very high90.3Very high47 Ų4746.8 Ų46.825%0.24623%0.23CC..Hα-helixtrans-78.4-35.3179.1-67.6174000113.3I864 T865 N866 Y1061 R1064I864-L868 HydrophobicContact CG2-CD1 3.89Å; I864-L868 HydrophobicContact CG2-CG 4.47Å; I864-L868 VanDerWaalsContact O-CG 3.25Å; I864-L868 WeakPolarHBondContact O-CG 3.34Å; I864-L868 PolarHBondContact O-N 3Å; T865-L868 PolarHBondContact O-N 3.36Å; N866-L868 VanDerWaalsContact C-N 3.26Å; N866-L868 PolarHBondContact O-N 3.22Å; L868-Y1061 HydrophobicContact CD1-CE1 4.47Å; L868-Y1061 HydrophobicContact CD2-CD1 3.88Å; L868-Y1061 HydrophobicContact CD2-CD2 4.09Å; L868-Y1061 HydrophobicContact CD2-CE1 4.22Å; L868-Y1061 HydrophobicContact CD2-CE2 4.4Å; L868-Y1061 HydrophobicContact CD2-CG 3.8Å; L868-R1064 HydrophobicContact CD2-CB 4.4Å; L868-R1064 HydrophobicContact CD2-CG 4.23Å; L868-R1064 PolarHBondContact O-NE 2.8Å; L868-R1064 VanDerWaalsContact O-NE 3.09Å; L868-R1064 PolarHBondContact O-NH2 3.47Å; L868-R1064 VanDerWaalsContact O-NH2 3.08Å
869L93.2Very high89.9Confident131 Ų13140.8 Ų40.869%0.68621%0.207SC*.Hα-helixtrans-87.7-50.5-176.7-65.6176.7000112.5T865 N866 R1064T865-L869 HydrophobicContact CG2-CD1 3.66Å; T865-L869 HydrophobicContact CG2-CG 4.32Å; T865-L869 WeakPolarHBondContact O-CB 3.07Å; T865-L869 WeakPolarHBondContact O-CG 3.3Å; T865-L869 PolarHBondContact O-N 3.03Å; N866-L869 PolarHBondContact O-N 3.29Å; L869-R1064 PolarHBondContact O-NH2 3.42Å
870D92.5Very high89.4Confident69 Ų6938.2 Ų38.237%0.36920%0.2SC..  trans-99.6116.7-173.7178.39.4000111.4N866 D872 H873N866-D870 PolarHBondContact O-N 3.1Å; D870-D872 VanDerWaalsContact C-N 3.28Å; D870-D872 PolarHBondContact O-N 2.91Å; D870-D872 WeakPolarHBondContact OD1-CB 3.31Å; D870-D872 PolarHBondContact OD1-N 3.11Å; D870-H873 HydrophobicContact CB-CB 3.98Å; D870-H873 PolarHBondContact O-N 2.86Å
871P89.2Confident88.9Confident22 Ų2239.9 Ų39.914%0.14321%0.211CC..SBendtrans-74.5-15.2178.631.2-34.6000113.6N875 R1064 Y1067 H1071P871-N875 VanDerWaalsContact O-CB 3.27Å; P871-N875 WeakPolarHBondContact O-CB 3.37Å; P871-N875 PolarHBondContact O-ND2 2.85Å; P871-R1064 VanDerWaalsContact N-NH2 3.14Å; P871-Y1067 HydrophobicContact CB-CD1 4.28Å; P871-Y1067 HydrophobicContact CB-CE1 3.88Å; P871-Y1067 HydrophobicContact CG-CE1 4.26Å; P871-H1071 HydrophobicContact CB-CB 4.34Å
872D88.9Confident88.6Confident70 Ų7036.4 Ų36.437%0.37420%0.195SC..SBendtrans-86.1-17.9175.9-78.8-22.3000112.6D870 D874 N875 H1071 K1075D870-D872 VanDerWaalsContact C-N 3.28Å; D870-D872 PolarHBondContact O-N 2.91Å; D870-D872 WeakPolarHBondContact OD1-CB 3.31Å; D870-D872 PolarHBondContact OD1-N 3.11Å; D872-D874 PolarHBondContact O-N 2.84Å; D872-N875 PolarHBondContact O-N 3.39Å; D872-H1071 IonicContact OD1-CD2 3.53Å; D872-H1071 PolarHBondContact OD1-CD2 2.84Å; D872-H1071 IonicContact OD1-NE2 2.7Å; D872-H1071 PolarHBondContact OD1-NE2 3.11Å; D872-K1075 IonicContact OD1-NZ 3.38Å; D872-K1075 PolarHBondContact OD1-NZ 2.72Å; D872-K1075 IonicContact OD2-NZ 3.59Å; D872-K1075 PolarHBondContact OD2-NZ 3.08Å
873H90.7Very high88.2Confident48 Ų4837.6 Ų37.622%0.22220%0.2CC..THydrogen-bonded Turntrans-64.4114.7-177.3-176.671.4000113.1Y863 N866 D870 N875 R1068Y863-H873 AromaticContact CD2-NE2 3.36Å; Y863-H873 WeakPolarHBondContact CD2-NE2 3.46Å; Y863-H873 AromaticContact CE2-NE2 3.48Å; Y863-H873 WeakPolarHBondContact CE2-NE2 3.14Å; N866-H873 HydrophobicContact CB-CB 4.44Å; D870-H873 HydrophobicContact CB-CB 3.98Å; D870-H873 PolarHBondContact O-N 2.86Å; H873-N875 PolarHBondContact O-N 2.81Å; H873-N875 VanDerWaalsContact O-N 3.17Å; H873-R1068 VanDerWaalsContact O-CZ 3.23Å; H873-R1068 PolarHBondContact O-NH1 3.29Å; H873-R1068 PolarHBondContact O-NH2 3.27Å
874D85.7Confident87.7Confident36 Ų3640.7 Ų40.719%0.19322%0.215CC..THydrogen-bonded Turntrans52.134.2179.3-156.614.3000112.7Y863 D872 I876 Y877 R1068Y863-D874 HydrophobicContact CE2-CB 4.29Å; Y863-D874 PolarHBondContact OH-OD2 2.82Å; D872-D874 PolarHBondContact O-N 2.84Å; D874-I876 PolarHBondContact O-N 2.89Å; D874-Y877 WeakPolarHBondContact O-CE2 3.41Å; D874-Y877 PolarHBondContact OD1-OH 3.37Å; D874-R1068 VanDerWaalsContact C-NH2 3.33Å; D874-R1068 PolarHBondContact O-NH2 3.27Å
875N88.7Confident87.4Confident8 Ų842.6 Ų42.64%0.04323%0.225CC..  trans-99.562.5-177.7-164.116.9000111.1P871 D872 H873 R1068 L1072P871-N875 VanDerWaalsContact O-CB 3.27Å; P871-N875 WeakPolarHBondContact O-CB 3.37Å; P871-N875 PolarHBondContact O-ND2 2.85Å; D872-N875 PolarHBondContact O-N 3.39Å; H873-N875 PolarHBondContact O-N 2.81Å; H873-N875 VanDerWaalsContact O-N 3.17Å; N875-R1068 PolarHBondContact ND2-O 3.49Å; N875-L1072 WeakPolarHBondContact O-CD1 3.49Å
876I86.5Confident87.1Confident64 Ų6441.5 Ų41.533%0.32822%0.217SC..  trans-1187.8-174.860.3170.4000113.2D874 I908 I909D874-I876 PolarHBondContact O-N 2.89Å; I876-I908 VanDerWaalsContact O-CG2 3.28Å; I876-I908 WeakPolarHBondContact O-CG2 3.32Å; I876-I909 HydrophobicContact CD1-CD1 3.92Å; I876-I909 HydrophobicContact CD1-CG1 4.47Å; I876-I909 PolarHBondContact O-N 2.85Å
877Y85.7Confident86.7Confident22 Ų2243.5 Ų43.59%0.08623%0.225CC..EExtended strand (participates in β ladder)trans-103.7126.9-173.8-54.6-82.1000110.5D874 I909 R1051 H1054D874-Y877 WeakPolarHBondContact O-CE2 3.41Å; D874-Y877 PolarHBondContact OD1-OH 3.37Å; Y877-I909 HydrophobicContact CD1-CB 4.28Å; Y877-I909 HydrophobicContact CD1-CD1 4.42Å; Y877-I909 HydrophobicContact CE1-CD1 3.94Å; Y877-R1051 HydrophobicContact CE1-CB 4.47Å; Y877-R1051 HydrophobicContact CE1-CG 4.02Å; Y877-H1054 HydrophobicContact CD2-CB 4.09Å; Y877-H1054 AromaticContact CD2-CD2 3.43Å; Y877-H1054 VanDerWaalsContact CD2-CD2 3.43Å; Y877-H1054 WeakPolarHBondContact CD2-CD2 3.39Å; Y877-H1054 AromaticContact CD2-CE1 3.82Å; Y877-H1054 AromaticContact CD2-CG 3.47Å; Y877-H1054 VanDerWaalsContact CD2-CG 3.47Å; Y877-H1054 AromaticContact CD2-ND1 3.71Å; Y877-H1054 AromaticContact CD2-NE2 3.64Å; Y877-H1054 HydrophobicContact CE2-CB 3.81Å; Y877-H1054 AromaticContact CE2-CG 3.7Å; Y877-H1054 AromaticContact CG-CD2 3.73Å; Y877-H1054 AromaticContact CG-NE2 3.96Å
878I83Confident86.5Confident2 Ų249.5 Ų49.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-98.8119.8169.8-69.9171.2000108F882 E883 L900 I908 I909 C910I878-F882 HydrophobicContact CD1-CD1 4.44Å; I878-F882 HydrophobicContact CD1-CE1 4.15Å; I878-F882 HydrophobicContact CD1-CZ 4.33Å; I878-F882 HydrophobicContact CG1-CD1 4.24Å; I878-F882 HydrophobicContact CG1-CD2 4.43Å; I878-F882 HydrophobicContact CG1-CE1 4.37Å; I878-F882 HydrophobicContact CG1-CG 4.28Å; I878-F882 HydrophobicContact CG2-CB 4.17Å; I878-F882 HydrophobicContact CG2-CD1 3.75Å; I878-F882 HydrophobicContact CG2-CE1 4.42Å; I878-F882 HydrophobicContact CG2-CG 4.09Å; I878-E883 HydrophobicContact CG2-CG 4.47Å; I878-L900 HydrophobicContact CD1-CD1 3.31Å; I878-L900 HydrophobicContact CD1-CG 4.49Å; I878-I908 HydrophobicContact CD1-CB 4.42Å; I878-I908 HydrophobicContact CD1-CD1 4.43Å; I878-I908 HydrophobicContact CD1-CG2 3.39Å; I878-I908 HydrophobicContact CG1-CG2 3.54Å; I878-I909 PolarHBondContact N-O 2.62Å; I878-C910 HydrophobicContact CB-CB 4.27Å; I878-C910 HydrophobicContact CD1-CB 4.4Å
879E81.8Confident86.5Confident19 Ų1950 Ų509%0.08925%0.249CC..  trans-130.5177.9179.5-64.4-176.9159.400109.2P881 F882 N1058 Y1069E879-P881 VanDerWaalsContact C-N 3.34Å; E879-P881 WeakPolarHBondContact O-CD 3.34Å; E879-P881 VanDerWaalsContact O-N 3.12Å; E879-F882 WeakPolarHBondContact O-CB 3.28Å; E879-F882 PolarHBondContact O-N 3.45Å; E879-N1058 PolarHBondContact OE2-ND2 3.16Å; E879-Y1069 HydrophobicContact CB-CE1 4.17Å; E879-Y1069 PolarHBondContact OE2-OH 2.76Å
880S80.5Confident86.1Confident37 Ų3746.9 Ų46.926%0.25924%0.239SC..Hα-helixtrans-51.5-35.6-171.764.10000116.1F882 E883 E884S880-F882 VanDerWaalsContact C-N 3.27Å; S880-F882 PolarHBondContact O-N 2.81Å; S880-E883 PolarHBondContact O-N 2.98Å; S880-E884 PolarHBondContact O-N 3.25Å; S880-E884 VanDerWaalsContact O-N 3.08Å
881P79.1Confident85.9Confident36 Ų3650.7 Ų50.723%0.23425%0.252CS..Hα-helixtrans-66.7-28.2178.4-21.235.9000113.2E879 I885 Y1069E879-P881 VanDerWaalsContact C-N 3.34Å; E879-P881 WeakPolarHBondContact O-CD 3.34Å; E879-P881 VanDerWaalsContact O-N 3.12Å; P881-I885 WeakPolarHBondContact O-CG1 3.48Å; P881-I885 PolarHBondContact O-N 3.48Å; P881-Y1069 HydrophobicContact CB-CD2 3.73Å; P881-Y1069 HydrophobicContact CB-CE2 4Å; P881-Y1069 HydrophobicContact CB-CG 4.26Å; P881-Y1069 HydrophobicContact CG-CD2 3.97Å; P881-Y1069 HydrophobicContact CG-CE2 3.69Å
882F86.1Confident86Confident0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-69.5-44.1176-176.9-80.2000111.1I878 E879 S880 E884 I885 D886 L897 L898 Y1069 L1072 Y1073 L1076I878-F882 HydrophobicContact CD1-CD1 4.44Å; I878-F882 HydrophobicContact CD1-CE1 4.15Å; I878-F882 HydrophobicContact CD1-CZ 4.33Å; I878-F882 HydrophobicContact CG1-CD1 4.24Å; I878-F882 HydrophobicContact CG1-CD2 4.43Å; I878-F882 HydrophobicContact CG1-CE1 4.37Å; I878-F882 HydrophobicContact CG1-CG 4.28Å; I878-F882 HydrophobicContact CG2-CB 4.17Å; I878-F882 HydrophobicContact CG2-CD1 3.75Å; I878-F882 HydrophobicContact CG2-CE1 4.42Å; I878-F882 HydrophobicContact CG2-CG 4.09Å; E879-F882 WeakPolarHBondContact O-CB 3.28Å; E879-F882 PolarHBondContact O-N 3.45Å; S880-F882 VanDerWaalsContact C-N 3.27Å; S880-F882 PolarHBondContact O-N 2.81Å; F882-E884 VanDerWaalsContact C-N 3.26Å; F882-E884 PolarHBondContact O-N 3.34Å; F882-I885 PolarHBondContact O-N 2.86Å; F882-D886 PolarHBondContact O-N 2.91Å; F882-L897 HydrophobicContact CZ-CD1 3.84Å; F882-L898 HydrophobicContact CE1-CD2 4.45Å; F882-Y1069 HydrophobicContact CB-CD1 4.47Å; F882-L1072 HydrophobicContact CD2-CD2 4.48Å; F882-L1072 HydrophobicContact CE2-CD2 4.5Å; F882-L1072 HydrophobicContact CE2-CG 4.26Å; F882-Y1073 HydrophobicContact CD1-CD2 4.29Å; F882-Y1073 HydrophobicContact CD2-CD2 4.02Å; F882-Y1073 AromaticContact CE1-CD2 3.96Å; F882-Y1073 HydrophobicContact CE1-CD2 3.96Å; F882-Y1073 HydrophobicContact CE1-CE2 4.3Å; F882-Y1073 AromaticContact CE2-CD2 3.68Å; F882-Y1073 HydrophobicContact CE2-CD2 3.68Å; F882-Y1073 HydrophobicContact CE2-CG 4.07Å; F882-Y1073 HydrophobicContact CG-CD2 4.31Å; F882-Y1073 AromaticContact CZ-CD2 3.64Å; F882-Y1073 HydrophobicContact CZ-CD2 3.64Å; F882-Y1073 HydrophobicContact CZ-CE2 4.28Å; F882-Y1073 HydrophobicContact CZ-CG 4.3Å; F882-L1076 HydrophobicContact CE2-CD1 3.97Å; F882-L1076 HydrophobicContact CZ-CD1 3.9Å
883E84.3Confident85.7Confident67 Ų6755.6 Ų55.631%0.31328%0.284SS..Hα-helixtrans-65.1-33.5178.5-58.1-174157.100111.8I878 S880 D886 H887 L898 H911I878-E883 HydrophobicContact CG2-CG 4.47Å; S880-E883 PolarHBondContact O-N 2.98Å; E883-D886 WeakPolarHBondContact O-CB 3.36Å; E883-D886 PolarHBondContact O-N 3.1Å; E883-H887 WeakPolarHBondContact O-CB 3.33Å; E883-H887 PolarHBondContact O-N 2.9Å; E883-L898 HydrophobicContact CB-CD1 4.22Å; E883-L898 HydrophobicContact CG-CD1 4.1Å; E883-H911 IonicContact OE1-CD2 3.54Å; E883-H911 PolarHBondContact OE1-CD2 2.92Å; E883-H911 IonicContact OE1-CE1 3.09Å; E883-H911 IonicContact OE1-NE2 3.69Å; E883-H911 PolarHBondContact OE1-NE2 3.49Å; E883-H911 IonicContact OE2-NE2 3.15Å
884E82Confident85.4Confident80 Ų8060.8 Ų60.837%0.37430%0.301SS..Hα-helixtrans-68.8-41.3176.2-167.6-171.7169.300112.7Q389 S880 F882 D886 H887 K888Q389-E884 PolarHBondContact NE2-OE1 2.88Å; Q389-E884 PolarHBondContact NE2-OE2 3.49Å; Q389-E884 PolarHBondContact OE1-OE2 3.4Å; Q389-E884 VanDerWaalsContact OE1-OE2 3.05Å; S880-E884 PolarHBondContact O-N 3.25Å; S880-E884 VanDerWaalsContact O-N 3.08Å; F882-E884 VanDerWaalsContact C-N 3.26Å; F882-E884 PolarHBondContact O-N 3.34Å; E884-D886 PolarHBondContact O-N 3.22Å; E884-H887 PolarHBondContact O-N 3.19Å; E884-K888 WeakPolarHBondContact O-CB 3.4Å; E884-K888 PolarHBondContact O-N 3.04Å
885I86.1Confident85.3Confident39 Ų3962.2 Ų62.220%0.231%0.307CS..Hα-helixtrans-57.6-40.6173.4-67.8165.1000109.9P881 F882 R889 I1070 Y1073P881-I885 WeakPolarHBondContact O-CG1 3.48Å; P881-I885 PolarHBondContact O-N 3.48Å; F882-I885 PolarHBondContact O-N 2.86Å; I885-R889 VanDerWaalsContact CG2-NH1 3.3Å; I885-R889 PolarHBondContact O-N 2.97Å; I885-R889 VanDerWaalsContact O-N 3.07Å; I885-I1070 HydrophobicContact CD1-CG1 3.9Å; I885-Y1073 HydrophobicContact CB-CD2 4.14Å; I885-Y1073 HydrophobicContact CB-CE2 4.32Å; I885-Y1073 HydrophobicContact CG2-CD1 4.21Å; I885-Y1073 HydrophobicContact CG2-CD2 3.7Å; I885-Y1073 HydrophobicContact CG2-CE1 4.35Å; I885-Y1073 HydrophobicContact CG2-CE2 3.81Å; I885-Y1073 HydrophobicContact CG2-CG 3.89Å
886D88.2Confident85.1Confident12 Ų1263.7 Ų63.76%0.06432%0.316CS..Hα-helixtrans-65-49.1176.5-159.780000111.9F882 E883 E884 K888 R889 S890 L897 L898 Y1073F882-D886 PolarHBondContact O-N 2.91Å; E883-D886 WeakPolarHBondContact O-CB 3.36Å; E883-D886 PolarHBondContact O-N 3.1Å; E884-D886 PolarHBondContact O-N 3.22Å; D886-K888 VanDerWaalsContact C-N 3.32Å; D886-K888 PolarHBondContact O-N 3.3Å; D886-R889 PolarHBondContact O-N 2.83Å; D886-R889 VanDerWaalsContact O-N 3.16Å; D886-S890 PolarHBondContact O-N 3.39Å; D886-L897 WeakPolarHBondContact OD1-CA 3.37Å; D886-L897 PolarHBondContact OD1-N 3.42Å; D886-L898 HydrophobicContact CB-CD1 3.77Å; D886-L898 HydrophobicContact CB-CG 4.11Å; D886-L898 PolarHBondContact OD1-N 2.85Å; D886-L898 VanDerWaalsContact OD2-CB 3.3Å; D886-L898 WeakPolarHBondContact OD2-CB 3.37Å; D886-L898 PolarHBondContact OD2-N 3.26Å; D886-Y1073 HydrophobicContact CB-CE2 3.88Å; D886-Y1073 PolarHBondContact OD1-OH 2.69Å
887H85.9Confident85Confident105 Ų10560.6 Ų60.649%0.48630%0.3SS..Hα-helixtrans-63.3-36.8179-179.5-116.3000112.5E883 E884 S890 K891E883-H887 WeakPolarHBondContact O-CB 3.33Å; E883-H887 PolarHBondContact O-N 2.9Å; E884-H887 PolarHBondContact O-N 3.19Å; H887-S890 WeakPolarHBondContact O-CB 3.46Å; H887-S890 PolarHBondContact O-N 3.5Å; H887-K891 WeakPolarHBondContact CE1-CE 3.29Å; H887-K891 PolarHBondContact CE1-NZ 3.38Å; H887-K891 VanDerWaalsContact CE1-NZ 3.32Å; H887-K891 WeakPolarHBondContact O-CG 3.27Å; H887-K891 PolarHBondContact O-N 2.68Å; H887-K891 VanDerWaalsContact O-N 3.1Å
888K88.8Confident84.8Confident126 Ų12661.9 Ų61.955%0.54831%0.308SS..Hα-helixtrans-64.4-45.6173.4-176.6176177.8178.30111.3E884 D886 S890 K891 E892E884-K888 WeakPolarHBondContact O-CB 3.4Å; E884-K888 PolarHBondContact O-N 3.04Å; D886-K888 VanDerWaalsContact C-N 3.32Å; D886-K888 PolarHBondContact O-N 3.3Å; K888-S890 VanDerWaalsContact C-N 3.3Å; K888-S890 PolarHBondContact O-N 3.13Å; K888-K891 PolarHBondContact O-N 2.83Å; K888-E892 WeakPolarHBondContact CE-OE1 3.33Å; K888-E892 WeakPolarHBondContact O-CG 3.14Å; K888-E892 PolarHBondContact O-N 3.32Å; K888-E892 VanDerWaalsContact O-N 3.08Å
889R89.4Confident84.5Confident56 Ų5667.2 Ų67.221%0.21134%0.343CS..Hα-helixtrans-63.7-36.4175.7-81-179.2160.5127.8-10.9112.4I885 D886 E892 S893 R894 T896 Y1073 N1074I885-R889 VanDerWaalsContact CG2-NH1 3.3Å; I885-R889 PolarHBondContact O-N 2.97Å; I885-R889 VanDerWaalsContact O-N 3.07Å; D886-R889 PolarHBondContact O-N 2.83Å; D886-R889 VanDerWaalsContact O-N 3.16Å; R889-E892 CarbonylContact O-C 3.59Å; R889-E892 PolarHBondContact O-N 2.81Å; R889-S893 PolarHBondContact O-N 2.69Å; R889-R894 HydrophobicContact CB-CB 4.18Å; R889-R894 HydrophobicContact CG-CB 4.39Å; R889-R894 PolarHBondContact O-N 3.39Å; R889-T896 HydrophobicContact CB-CG2 4.31Å; R889-Y1073 WeakPolarHBondContact CD-OH 3.28Å; R889-N1074 PolarHBondContact NH2-OD1 3.4Å; R889-N1074 VanDerWaalsContact NH2-OD1 3.17Å
890S85.1Confident84.4Confident67 Ų6767.2 Ų67.247%0.46934%0.344SS..Hα-helixtrans-58.9-46.7173.9-174.60000111.7D886 H887 K888 E892 S893D886-S890 PolarHBondContact O-N 3.39Å; H887-S890 WeakPolarHBondContact O-CB 3.46Å; H887-S890 PolarHBondContact O-N 3.5Å; K888-S890 VanDerWaalsContact C-N 3.3Å; K888-S890 PolarHBondContact O-N 3.13Å; S890-E892 VanDerWaalsContact C-N 3.3Å; S890-E892 PolarHBondContact O-N 3.29Å; S890-S893 PolarHBondContact O-N 3.13Å; S890-S893 VanDerWaalsContact O-N 3.07Å
891K88Confident84.3Confident149 Ų14966.3 Ų66.365%0.64834%0.335SS*.Hα-helixtrans-64.2-33175.8-72.6177.4174.5178.70113.5H887 K888 S893H887-K891 WeakPolarHBondContact CE1-CE 3.29Å; H887-K891 PolarHBondContact CE1-NZ 3.38Å; H887-K891 VanDerWaalsContact CE1-NZ 3.32Å; H887-K891 WeakPolarHBondContact O-CG 3.27Å; H887-K891 PolarHBondContact O-N 2.68Å; H887-K891 VanDerWaalsContact O-N 3.1Å; K888-K891 PolarHBondContact O-N 2.83Å; K891-S893 PolarHBondContact O-N 2.86Å
892E91.8Very high84.1Confident80 Ų8065.7 Ų65.737%0.37434%0.335SS..THydrogen-bonded Turntrans-78.34.8175.6-67.7173.4-171.100112.7K888 R889 S890 R894K888-E892 WeakPolarHBondContact CE-OE1 3.33Å; K888-E892 WeakPolarHBondContact O-CG 3.14Å; K888-E892 PolarHBondContact O-N 3.32Å; K888-E892 VanDerWaalsContact O-N 3.08Å; R889-E892 CarbonylContact O-C 3.59Å; R889-E892 PolarHBondContact O-N 2.81Å; S890-E892 VanDerWaalsContact C-N 3.3Å; S890-E892 PolarHBondContact O-N 3.29Å; E892-R894 HydrophobicContact CB-CG 3.92Å; E892-R894 PolarHBondContact O-N 2.8Å; E892-R894 VanDerWaalsContact OE2-CD 3.27Å; E892-R894 WeakPolarHBondContact OE2-CD 3.48Å; E892-R894 IonicContact OE2-CZ 3.45Å; E892-R894 IonicContact OE2-NE 2.68Å; E892-R894 PolarHBondContact OE2-NE 3.08Å; E892-R894 IonicContact OE2-NH1 2.65Å; E892-R894 PolarHBondContact OE2-NH1 2.87Å
893S82.6Confident83.7Confident115 Ų11568.4 Ų68.480%0.80435%0.345SS*.THydrogen-bonded Turntrans53.932.9-173.9-60.80000113.1R889 S890 K891R889-S893 PolarHBondContact O-N 2.69Å; S890-S893 PolarHBondContact O-N 3.13Å; S890-S893 VanDerWaalsContact O-N 3.07Å; K891-S893 PolarHBondContact O-N 2.86Å
894R85.3Confident83.6Confident156 Ų15666 Ų6659%0.58933%0.334SS*.  trans-96164.6176.8-66.1179.5174.6179.9-10.4110.6R889 E892 T896R889-R894 HydrophobicContact CB-CB 4.18Å; R889-R894 HydrophobicContact CG-CB 4.39Å; R889-R894 PolarHBondContact O-N 3.39Å; E892-R894 HydrophobicContact CB-CG 3.92Å; E892-R894 PolarHBondContact O-N 2.8Å; E892-R894 VanDerWaalsContact OE2-CD 3.27Å; E892-R894 WeakPolarHBondContact OE2-CD 3.48Å; E892-R894 IonicContact OE2-CZ 3.45Å; E892-R894 IonicContact OE2-NE 2.68Å; E892-R894 PolarHBondContact OE2-NE 3.08Å; E892-R894 IonicContact OE2-NH1 2.65Å; E892-R894 PolarHBondContact OE2-NH1 2.87Å; R894-T896 PolarHBondContact O-N 3.42Å
895E81.7Confident83.5Confident67 Ų6765.8 Ų65.831%0.31334%0.335SS..  trans-59.7125.7175-172.7-178.6-175.300111.3L1077 R1081E895-L1077 HydrophobicContact CG-CD2 4.42Å; E895-L1077 WeakPolarHBondContact OE2-CD2 3.31Å; E895-R1081 IonicContact OE2-CZ 3.17Å; E895-R1081 IonicContact OE2-NE 2.77Å; E895-R1081 PolarHBondContact OE2-NE 2.66Å; E895-R1081 IonicContact OE2-NH2 2.78Å; E895-R1081 PolarHBondContact OE2-NH2 3.13Å
896T85.8Confident82.9Confident38 Ų3870.2 Ų70.223%0.23336%0.359CS..  trans-106.8155.9178.4570000111.7R889 R894R889-T896 HydrophobicContact CB-CG2 4.31Å; R894-T896 PolarHBondContact O-N 3.42Å
897L84.1Confident82.1Confident0 Ų075.8 Ų75.80%039%0.389CS..  trans-92.9-39.2175.8-80.5173.4000112.4F882 D886 P899 L900 Y1073 L1076 L1077 R1080F882-L897 HydrophobicContact CZ-CD1 3.84Å; D886-L897 WeakPolarHBondContact OD1-CA 3.37Å; D886-L897 PolarHBondContact OD1-N 3.42Å; L897-P899 CarbonylContact O-C 3.56Å; L897-P899 VanDerWaalsContact O-C 3.26Å; L897-L900 HydrophobicContact CB-CD2 4.33Å; L897-Y1073 HydrophobicContact CB-CE2 4.3Å; L897-Y1073 HydrophobicContact CD1-CD1 3.82Å; L897-Y1073 HydrophobicContact CD1-CD2 3.9Å; L897-Y1073 HydrophobicContact CD1-CE1 3.73Å; L897-Y1073 HydrophobicContact CD1-CE2 3.85Å; L897-Y1073 HydrophobicContact CD1-CG 3.91Å; L897-Y1073 HydrophobicContact CG-CE1 4.17Å; L897-Y1073 HydrophobicContact CG-CE2 4.37Å; L897-L1076 HydrophobicContact CD1-CB 3.77Å; L897-L1076 HydrophobicContact CD2-CB 4.32Å; L897-L1077 HydrophobicContact CD1-CB 4.33Å; L897-L1077 HydrophobicContact CG-CG 4.48Å; L897-R1080 HydrophobicContact CD2-CB 4.35Å; L897-R1080 PolarHBondContact O-NH1 2.89Å
898L81.8Confident81.8Confident49 Ų4971.3 Ų71.326%0.25737%0.369SS..PPolyproline II helixtrans-78.8143-177-58.4170.6000111.9F882 E883 D886 L900F882-L898 HydrophobicContact CE1-CD2 4.45Å; E883-L898 HydrophobicContact CB-CD1 4.22Å; E883-L898 HydrophobicContact CG-CD1 4.1Å; D886-L898 HydrophobicContact CB-CD1 3.77Å; D886-L898 HydrophobicContact CB-CG 4.11Å; D886-L898 PolarHBondContact OD1-N 2.85Å; D886-L898 VanDerWaalsContact OD2-CB 3.3Å; D886-L898 WeakPolarHBondContact OD2-CB 3.37Å; D886-L898 PolarHBondContact OD2-N 3.26Å; L898-L900 HydrophobicContact CD2-CG 4.15Å
899P76.8Confident81.2Confident114 Ų11466.2 Ų66.274%0.7435%0.347SS*.SBendcis-68.5140.6-8.830.2-34.5000111.5L897L897-P899 CarbonylContact O-C 3.56Å; L897-P899 VanDerWaalsContact O-C 3.26Å
900L80Confident80.4Confident19 Ų1965.2 Ų65.210%0.09935%0.348CS..PPolyproline II helixtrans-63.7143.4176.8-74.2176.2000111.2I878 L897 L898 E904 L905 I908I878-L900 HydrophobicContact CD1-CD1 3.31Å; I878-L900 HydrophobicContact CD1-CG 4.49Å; L897-L900 HydrophobicContact CB-CD2 4.33Å; L898-L900 HydrophobicContact CD2-CG 4.15Å; L900-E904 HydrophobicContact CB-CB 4.43Å; L900-E904 HydrophobicContact CD2-CB 4.29Å; L900-E904 VanDerWaalsContact CD2-OE2 3.32Å; L900-E904 WeakPolarHBondContact CD2-OE2 3.37Å; L900-L905 HydrophobicContact CB-CD2 3.99Å; L900-L905 HydrophobicContact CB-CG 4.12Å; L900-L905 HydrophobicContact CD1-CD2 3.99Å; L900-I908 HydrophobicContact CD1-CD1 4.12Å
901K77.7Confident79.6Confident18 Ų1865.9 Ų65.98%0.07834%0.344CS..PPolyproline II helixtrans-74.2152.7179.1-70.7178.3-179.3165.70111.7Y903 E904 L905 R1080 E1137K901-Y903 HydrophobicContact CB-CD1 4.02Å; K901-Y903 HydrophobicContact CB-CE1 3.63Å; K901-Y903 HydrophobicContact CB-CE2 4.39Å; K901-Y903 HydrophobicContact CD-CE1 3.64Å; K901-Y903 VanDerWaalsContact CD-CZ 3.49Å; K901-Y903 WeakPolarHBondContact CD-OH 3.4Å; K901-Y903 HydrophobicContact CG-CE1 4.25Å; K901-Y903 PolarHBondContact NZ-OH 3.39Å; K901-Y903 PolarHBondContact O-N 3.03Å; K901-E904 HydrophobicContact CB-CG 4.05Å; K901-E904 PolarHBondContact N-OE2 2.85Å; K901-E904 WeakPolarHBondContact O-CA 3.47Å; K901-E904 WeakPolarHBondContact O-CB 3.48Å; K901-E904 PolarHBondContact O-N 3.37Å; K901-L905 PolarHBondContact O-N 3.08Å; K901-R1080 VanDerWaalsContact CE-CZ 3.5Å; K901-E1137 WeakPolarHBondContact CA-OE2 3.27Å; K901-E1137 WeakPolarHBondContact CB-OE2 3.46Å; K901-E1137 VanDerWaalsContact CG-OE2 3.25Å; K901-E1137 WeakPolarHBondContact CG-OE2 3.42Å
902G75.1Confident78.5Confident22 Ų2263.4 Ų63.423%0.22733%0.334CS..THydrogen-bonded Turntrans-58.8-24.5-175.400000115E1137G902-E1137 PolarHBondContact N-OE1 2.94Å; G902-E1137 VanDerWaalsContact N-OE1 3.13Å; G902-E1137 PolarHBondContact N-OE2 3.43Å
903Y76.8Confident77.2Confident58 Ų5867.5 Ų67.523%0.22735%0.354CS..THydrogen-bonded Turntrans-86-20.8173.358.3-94.7000113.8K901 Q1083 C1135 M1136K901-Y903 HydrophobicContact CB-CD1 4.02Å; K901-Y903 HydrophobicContact CB-CE1 3.63Å; K901-Y903 HydrophobicContact CB-CE2 4.39Å; K901-Y903 HydrophobicContact CD-CE1 3.64Å; K901-Y903 VanDerWaalsContact CD-CZ 3.49Å; K901-Y903 WeakPolarHBondContact CD-OH 3.4Å; K901-Y903 HydrophobicContact CG-CE1 4.25Å; K901-Y903 PolarHBondContact NZ-OH 3.39Å; K901-Y903 PolarHBondContact O-N 3.03Å; Y903-Q1083 HydrophobicContact CE2-CB 4.44Å; Y903-Q1083 HydrophobicContact CE2-CG 3.88Å; Y903-C1135 WeakPolarHBondContact CE1-O 3.5Å; Y903-C1135 PolarHBondContact OH-O 3.4Å; Y903-M1136 HydrophobicContact CE1-CB 4.35Å
904E83.2Confident76.9Confident16 Ų1669.3 Ų69.38%0.07535%0.351CS..THydrogen-bonded Turntrans-76.3-37.4176.6-62.7169.816800110.3L900 K901 N906 N907 I908 R1080L900-E904 HydrophobicContact CB-CB 4.43Å; L900-E904 HydrophobicContact CD2-CB 4.29Å; L900-E904 VanDerWaalsContact CD2-OE2 3.32Å; L900-E904 WeakPolarHBondContact CD2-OE2 3.37Å; K901-E904 HydrophobicContact CB-CG 4.05Å; K901-E904 PolarHBondContact N-OE2 2.85Å; K901-E904 WeakPolarHBondContact O-CA 3.47Å; K901-E904 WeakPolarHBondContact O-CB 3.48Å; K901-E904 PolarHBondContact O-N 3.37Å; E904-N906 PolarHBondContact O-N 3.38Å; E904-N907 PolarHBondContact O-N 3.1Å; E904-I908 WeakPolarHBondContact O-CD1 3.33Å; E904-R1080 WeakPolarHBondContact OE1-CB 3.32Å; E904-R1080 WeakPolarHBondContact OE1-CD 3.08Å; E904-R1080 VanDerWaalsContact OE1-CG 3.28Å; E904-R1080 WeakPolarHBondContact OE1-CG 3.31Å; E904-R1080 IonicContact OE1-NH1 3.86Å; E904-R1080 IonicContact OE2-NH1 2.77Å; E904-R1080 PolarHBondContact OE2-NH1 2.54Å
905L79.1Confident76.5Confident75 Ų7564.5 Ų64.539%0.39333%0.334SS..G310 helixtrans-62.3-20.9178.9-71.4171.9000114.5L900 K901 N907 I908L900-L905 HydrophobicContact CB-CD2 3.99Å; L900-L905 HydrophobicContact CB-CG 4.12Å; L900-L905 HydrophobicContact CD1-CD2 3.99Å; K901-L905 PolarHBondContact O-N 3.08Å; L905-N907 PolarHBondContact O-N 3.18Å; L905-I908 PolarHBondContact O-N 2.74Å; L905-I908 VanDerWaalsContact O-O 3.1Å
906N74.4Confident76.5Confident132 Ų13262.6 Ų62.671%0.70633%0.326SS*.G310 helixtrans-65.3-24.4-179.5-74.7-12.5000113.1E904E904-N906 PolarHBondContact O-N 3.38Å
907N71.9Confident76.4Confident130 Ų13071.9 Ų71.970%0.69536%0.357SS*.G310 helixtrans-105.1-0.8-175.2-65.5-10.7000113E904 L905E904-N907 PolarHBondContact O-N 3.1Å; L905-N907 PolarHBondContact O-N 3.18Å
908I78.4Confident76.2Confident11 Ų1176.6 Ų76.66%0.05639%0.386CS..  trans-138.2140.1-165.1-46.9165.4000111I876 I878 L900 E904 L905 L1076I876-I908 VanDerWaalsContact O-CG2 3.28Å; I876-I908 WeakPolarHBondContact O-CG2 3.32Å; I878-I908 HydrophobicContact CD1-CB 4.42Å; I878-I908 HydrophobicContact CD1-CD1 4.43Å; I878-I908 HydrophobicContact CD1-CG2 3.39Å; I878-I908 HydrophobicContact CG1-CG2 3.54Å; L900-I908 HydrophobicContact CD1-CD1 4.12Å; E904-I908 WeakPolarHBondContact O-CD1 3.33Å; L905-I908 PolarHBondContact O-N 2.74Å; L905-I908 VanDerWaalsContact O-O 3.1Å; I908-L1076 HydrophobicContact CD1-CD1 3.5Å; I908-L1076 VanDerWaalsContact CD1-CD1 3.5Å; I908-L1076 HydrophobicContact CD1-CD2 3.61Å; I908-L1076 HydrophobicContact CD1-CG 4.2Å; I908-L1076 HydrophobicContact CG1-CD2 4.48Å
909I77.1Confident76.4Confident18 Ų1875.1 Ų75.19%0.09238%0.378CS..EExtended strand (participates in β ladder)trans-100.9108.9176.5-56.8174.2000108I876 Y877 I878 Q912 T916I876-I909 HydrophobicContact CD1-CD1 3.92Å; I876-I909 HydrophobicContact CD1-CG1 4.47Å; I876-I909 PolarHBondContact O-N 2.85Å; Y877-I909 HydrophobicContact CD1-CB 4.28Å; Y877-I909 HydrophobicContact CD1-CD1 4.42Å; Y877-I909 HydrophobicContact CE1-CD1 3.94Å; I878-I909 PolarHBondContact N-O 2.62Å; I909-Q912 HydrophobicContact CG2-CB 4.11Å; I909-T916 HydrophobicContact CD1-CG2 4.15Å; I909-T916 HydrophobicContact CG1-CG2 4.19Å
910C71.5Confident76.9Confident35 Ų3573.9 Ų73.924%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-108.5106.8178.6-178.70000110.2I878 Q912I878-C910 HydrophobicContact CB-CB 4.27Å; I878-C910 HydrophobicContact CD1-CB 4.4Å; C910-Q912 VanDerWaalsContact O-CG 3.25Å; C910-Q912 WeakPolarHBondContact O-CG 2.89Å; C910-Q912 PolarHBondContact O-N 2.81Å
911H68.5Low77.4Confident81 Ų8179.5 Ų79.538%0.37539%0.388SS..SBendtrans50.711.6178.5-62.1-59.5000116.8E392 E883 Q913E392-H911 IonicContact OE1-CE1 3.33Å; E883-H911 IonicContact OE1-CD2 3.54Å; E883-H911 PolarHBondContact OE1-CD2 2.92Å; E883-H911 IonicContact OE1-CE1 3.09Å; E883-H911 IonicContact OE1-NE2 3.69Å; E883-H911 PolarHBondContact OE1-NE2 3.49Å; E883-H911 IonicContact OE2-NE2 3.15Å; H911-Q913 PolarHBondContact O-N 3.04Å; H911-Q913 VanDerWaalsContact O-N 3.15Å
912Q65.3Low77.9Confident97 Ų9784.6 Ų84.645%0.45341%0.407SS..  trans-74.4114.1-171-63.7-172.8-12.900110.6I909 C910 M914 R1051I909-Q912 HydrophobicContact CG2-CB 4.11Å; C910-Q912 VanDerWaalsContact O-CG 3.25Å; C910-Q912 WeakPolarHBondContact O-CG 2.89Å; C910-Q912 PolarHBondContact O-N 2.81Å; Q912-M914 VanDerWaalsContact C-N 3.28Å; Q912-R1051 PolarHBondContact O-NH1 3.23Å
913Q64.2Low78.6Confident167 Ų16784.2 Ų84.278%0.7840%0.4SS*.  trans-77.5-13.3170.5-66.7-178.7-8.800112.8H911 Y1048H911-Q913 PolarHBondContact O-N 3.04Å; H911-Q913 VanDerWaalsContact O-N 3.15Å; Q913-Y1048 WeakPolarHBondContact O-CE1 3.46Å; Q913-Y1048 PolarHBondContact O-OH 3.39Å
914M75.8Confident79.3Confident152 Ų15285.3 Ų85.375%0.74941%0.409SS*.SBendtrans-91.1157.1-179.6-66.5-175.6114.500112.5Q912 R1051Q912-M914 VanDerWaalsContact C-N 3.28Å; M914-R1051 PolarHBondContact O-NH2 3.4Å
915Y78.2Confident79.7Confident56 Ų5689.3 Ų89.322%0.2243%0.428CS..PPolyproline II helixtrans-61.6133.2172.3-86.1-92.2000111.3E919 V923 L1044 G1047 Y1048Y915-E919 HydrophobicContact CD1-CB 3.88Å; Y915-V923 HydrophobicContact CD1-CG2 4.23Å; Y915-V923 HydrophobicContact CE1-CG2 3.61Å; Y915-L1044 PolarHBondContact OH-O 2.77Å; Y915-G1047 VanDerWaalsContact CE1-CA 3.4Å; Y915-G1047 PolarHBondContact OH-N 3.42Å; Y915-G1047 VanDerWaalsContact OH-N 3.09Å; Y915-Y1048 HydrophobicContact CD2-CE2 4.04Å; Y915-Y1048 AromaticContact CE2-CD2 3.79Å; Y915-Y1048 HydrophobicContact CE2-CD2 3.79Å; Y915-Y1048 AromaticContact CE2-CE2 3.31Å; Y915-Y1048 HydrophobicContact CE2-CE2 3.31Å; Y915-Y1048 AromaticContact CE2-CZ 3.83Å
916T81.9Confident80.2Confident26 Ų2686.4 Ų86.416%0.1641%0.413CS..PPolyproline II helixtrans-72.3157168.5620000110I909 T918 E919 L920I909-T916 HydrophobicContact CD1-CG2 4.15Å; I909-T916 HydrophobicContact CG1-CG2 4.19Å; T916-T918 PolarHBondContact O-N 3.02Å; T916-T918 PolarHBondContact OG1-OG1 3.35Å; T916-E919 WeakPolarHBondContact CB-OE2 3.24Å; T916-E919 WeakPolarHBondContact CG2-OE2 3.4Å; T916-E919 PolarHBondContact N-OE2 3.03Å; T916-E919 PolarHBondContact O-N 2.89Å; T916-E919 VanDerWaalsContact OG1-CB 3.31Å; T916-E919 WeakPolarHBondContact OG1-CB 3.16Å; T916-E919 WeakPolarHBondContact OG1-CG 3.4Å; T916-E919 PolarHBondContact OG1-N 3.3Å; T916-E919 PolarHBondContact OG1-OE2 3.03Å; T916-L920 WeakPolarHBondContact O-CB 3.38Å; T916-L920 PolarHBondContact O-N 3.23Å
917R82.1Confident81.1Confident233 Ų23382.4 Ų82.488%0.87939%0.391SS*.Hα-helixtrans-58.6-34.6178.1-68.2-176.9177.7-174.8-2.7112.6K921R917-K921 WeakPolarHBondContact O-CB 3.33Å; R917-K921 PolarHBondContact O-N 2.99Å
918T81.4Confident82.2Confident100 Ų10081.8 Ų81.861%0.61339%0.387SS*.Hα-helixtrans-71.9-42.4178.549.60000111.6T916 R922T916-T918 PolarHBondContact O-N 3.02Å; T916-T918 PolarHBondContact OG1-OG1 3.35Å; T918-R922 PolarHBondContact O-N 3.3Å; T918-R922 VanDerWaalsContact O-N 3.12Å
919E85.9Confident83Confident18 Ų1888.3 Ų88.38%0.08442%0.415CS..Hα-helixtrans-66.1-45.4174.1-70.8162.2152.900111.5Y915 T916 K921 R922 V923 R1051Y915-E919 HydrophobicContact CD1-CB 3.88Å; T916-E919 WeakPolarHBondContact CB-OE2 3.24Å; T916-E919 WeakPolarHBondContact CG2-OE2 3.4Å; T916-E919 PolarHBondContact N-OE2 3.03Å; T916-E919 PolarHBondContact O-N 2.89Å; T916-E919 VanDerWaalsContact OG1-CB 3.31Å; T916-E919 WeakPolarHBondContact OG1-CB 3.16Å; T916-E919 WeakPolarHBondContact OG1-CG 3.4Å; T916-E919 PolarHBondContact OG1-N 3.3Å; T916-E919 PolarHBondContact OG1-OE2 3.03Å; E919-K921 VanDerWaalsContact C-N 3.32Å; E919-K921 PolarHBondContact O-N 3.37Å; E919-R922 CarbonylContact O-C 3.58Å; E919-R922 WeakPolarHBondContact O-CA 3.49Å; E919-R922 WeakPolarHBondContact O-CB 3.19Å; E919-R922 PolarHBondContact O-N 3.37Å; E919-V923 WeakPolarHBondContact O-CG2 3.27Å; E919-V923 PolarHBondContact O-N 3.09Å; E919-R1051 IonicContact OE1-CZ 2.8Å; E919-R1051 IonicContact OE1-NE 3.22Å; E919-R1051 PolarHBondContact OE1-NE 2.99Å; E919-R1051 IonicContact OE1-NH2 3.47Å; E919-R1051 PolarHBondContact OE1-NH2 2.72Å; E919-R1051 IonicContact OE2-CZ 2.73Å; E919-R1051 IonicContact OE2-NE 2.97Å; E919-R1051 IonicContact OE2-NH2 2.72Å; E919-R1051 PolarHBondContact OE2-NH2 2.87Å
920L86.8Confident83.8Confident87 Ų8788.3 Ų88.346%0.45542%0.415SS..Hα-helixtrans-61.1-41.7178.5-170.9124.1000111.3T916 R922 V923 I924T916-L920 WeakPolarHBondContact O-CB 3.38Å; T916-L920 PolarHBondContact O-N 3.23Å; L920-R922 VanDerWaalsContact C-N 3.3Å; L920-R922 PolarHBondContact O-N 2.94Å; L920-V923 PolarHBondContact O-N 3.29Å; L920-I924 HydrophobicContact CD2-CD1 3.51Å; L920-I924 HydrophobicContact CG-CD1 4.08Å; L920-I924 VanDerWaalsContact O-CG1 3.29Å; L920-I924 WeakPolarHBondContact O-CG1 3.47Å; L920-I924 PolarHBondContact O-N 2.8Å
921K89.3Confident84.9Confident137 Ų13789.8 Ų89.860%0.59642%0.422SS*.Hα-helixtrans-58.7-42.3172.6-175.3178.3180-179.80111.7R917 E919 I924 Q925R917-K921 WeakPolarHBondContact O-CB 3.33Å; R917-K921 PolarHBondContact O-N 2.99Å; E919-K921 VanDerWaalsContact C-N 3.32Å; E919-K921 PolarHBondContact O-N 3.37Å; K921-I924 PolarHBondContact O-N 2.96Å; K921-Q925 WeakPolarHBondContact O-CB 3.27Å; K921-Q925 VanDerWaalsContact O-CG 3.29Å; K921-Q925 WeakPolarHBondContact O-CG 3.48Å; K921-Q925 PolarHBondContact O-N 3.01Å
922R88.4Confident86.2Confident125 Ų12587.5 Ų87.547%0.47242%0.421SS..Hα-helixtrans-65.5-43177.2-171.7-174.8-60.9146.61.8111.9T918 E919 L920 Q925 N926T918-R922 PolarHBondContact O-N 3.3Å; T918-R922 VanDerWaalsContact O-N 3.12Å; E919-R922 CarbonylContact O-C 3.58Å; E919-R922 WeakPolarHBondContact O-CA 3.49Å; E919-R922 WeakPolarHBondContact O-CB 3.19Å; E919-R922 PolarHBondContact O-N 3.37Å; L920-R922 VanDerWaalsContact C-N 3.3Å; L920-R922 PolarHBondContact O-N 2.94Å; R922-Q925 PolarHBondContact O-N 3.02Å; R922-N926 WeakPolarHBondContact O-CB 2.94Å; R922-N926 PolarHBondContact O-N 3.14Å
923V90.5Very high87.6Confident14 Ų1487.1 Ų87.19%0.08542%0.418CS..Hα-helixtrans-60-49.3175.6173.10000110.3Y915 E919 L920 Q925 N926 L927 S1046Y915-V923 HydrophobicContact CD1-CG2 4.23Å; Y915-V923 HydrophobicContact CE1-CG2 3.61Å; E919-V923 WeakPolarHBondContact O-CG2 3.27Å; E919-V923 PolarHBondContact O-N 3.09Å; L920-V923 PolarHBondContact O-N 3.29Å; V923-Q925 PolarHBondContact O-N 3.32Å; V923-N926 PolarHBondContact O-N 3.16Å; V923-L927 WeakPolarHBondContact O-CB 3.5Å; V923-L927 PolarHBondContact O-N 2.92Å; V923-S1046 WeakPolarHBondContact CG2-OG 3.48Å
924I90.9Very high89.2Confident82 Ų8279.1 Ų79.142%0.42138%0.381SS..Hα-helixtrans-60.9-45.1-179.9-68.1167.7000111L920 K921 N926 L927 I928L920-I924 HydrophobicContact CD2-CD1 3.51Å; L920-I924 HydrophobicContact CG-CD1 4.08Å; L920-I924 VanDerWaalsContact O-CG1 3.29Å; L920-I924 WeakPolarHBondContact O-CG1 3.47Å; L920-I924 PolarHBondContact O-N 2.8Å; K921-I924 PolarHBondContact O-N 2.96Å; I924-N926 PolarHBondContact O-N 3.01Å; I924-L927 PolarHBondContact O-N 3.38Å; I924-I928 HydrophobicContact CG2-CD1 3.89Å; I924-I928 VanDerWaalsContact O-CG1 3.3Å; I924-I928 WeakPolarHBondContact O-CG1 3.15Å; I924-I928 PolarHBondContact O-N 2.81Å
925Q91.3Very high90.1Very high99 Ų9978.1 Ų78.146%0.46337%0.372SS..Hα-helixtrans-61.8-41.7178-75.2177.7-21.600112.7K921 R922 V923 K929K921-Q925 WeakPolarHBondContact O-CB 3.27Å; K921-Q925 VanDerWaalsContact O-CG 3.29Å; K921-Q925 WeakPolarHBondContact O-CG 3.48Å; K921-Q925 PolarHBondContact O-N 3.01Å; R922-Q925 PolarHBondContact O-N 3.02Å; V923-Q925 PolarHBondContact O-N 3.32Å; Q925-K929 WeakPolarHBondContact O-CG 3.11Å; Q925-K929 PolarHBondContact O-N 2.83Å
926N91.4Very high91Very high15 Ų1579.1 Ų79.18%0.0839%0.386CS..Hα-helixtrans-72.4-36.3177.4-72.9-12000111.9R922 V923 I924 K929 I930R922-N926 WeakPolarHBondContact O-CB 2.94Å; R922-N926 PolarHBondContact O-N 3.14Å; V923-N926 PolarHBondContact O-N 3.16Å; I924-N926 PolarHBondContact O-N 3.01Å; N926-K929 PolarHBondContact O-N 3.26Å; N926-I930 WeakPolarHBondContact O-CG1 3.2Å; N926-I930 PolarHBondContact O-N 3.35Å
927L93.3Very high91.7Very high47 Ų4778.4 Ų78.425%0.24638%0.382CS..Hα-helixtrans-63.5-45.3178.1-175.365.7000111V923 I924 K929 I930 V931 I1040 C1043 L1044V923-L927 WeakPolarHBondContact O-CB 3.5Å; V923-L927 PolarHBondContact O-N 2.92Å; I924-L927 PolarHBondContact O-N 3.38Å; L927-K929 VanDerWaalsContact C-N 3.29Å; L927-K929 PolarHBondContact O-N 3.04Å; L927-I930 PolarHBondContact O-N 3.3Å; L927-V931 HydrophobicContact CD1-CG2 4.02Å; L927-V931 HydrophobicContact CG-CG2 4.25Å; L927-V931 WeakPolarHBondContact O-CB 3.17Å; L927-V931 VanDerWaalsContact O-CG2 3.28Å; L927-V931 WeakPolarHBondContact O-CG2 3.2Å; L927-V931 PolarHBondContact O-N 3.12Å; L927-I1040 HydrophobicContact CD1-CG2 4.09Å; L927-C1043 PolarHBondContact N-SG 2.87Å; L927-L1044 HydrophobicContact CD1-CD2 4.42Å; L927-L1044 HydrophobicContact CD2-CD2 4.07Å
928I94.6Very high92.3Very high118 Ų11869.5 Ų69.561%0.60536%0.355SS*.Hα-helixtrans-57.7-43.4175.2-68.3165.3000110.7I924 G932I924-I928 HydrophobicContact CG2-CD1 3.89Å; I924-I928 VanDerWaalsContact O-CG1 3.3Å; I924-I928 WeakPolarHBondContact O-CG1 3.15Å; I924-I928 PolarHBondContact O-N 2.81Å; I928-G932 PolarHBondContact O-N 3.47Å
929K94.2Very high93Very high148 Ų14868.2 Ų68.264%0.64334%0.344SS*.Hα-helixtrans-63.8-45.4178.1-69.9174-178.1-177.20112.4Q925 N926 L927 F933Q925-K929 WeakPolarHBondContact O-CG 3.11Å; Q925-K929 PolarHBondContact O-N 2.83Å; N926-K929 PolarHBondContact O-N 3.26Å; L927-K929 VanDerWaalsContact C-N 3.29Å; L927-K929 PolarHBondContact O-N 3.04Å; K929-F933 WeakPolarHBondContact O-CB 3.12Å; K929-F933 PolarHBondContact O-N 3.45Å
930I93.9Very high93.4Very high18 Ų1869.7 Ų69.79%0.09235%0.352CS..Hα-helixtrans-69.6-43.6-177.9-69165.7000111.4L524 N926 L927 G934 W1036 M1039 I1040 C1043L524-I930 HydrophobicContact CD1-CD1 4Å; L524-I930 HydrophobicContact CD2-CD1 3.83Å; L524-I930 HydrophobicContact CG-CD1 4.32Å; N926-I930 WeakPolarHBondContact O-CG1 3.2Å; N926-I930 PolarHBondContact O-N 3.35Å; L927-I930 PolarHBondContact O-N 3.3Å; I930-G934 PolarHBondContact O-N 3.35Å; I930-W1036 PolarHBondContact O-NE1 2.93Å; I930-M1039 HydrophobicContact CD1-CE 4.12Å; I930-M1039 HydrophobicContact CG1-CE 4.12Å; I930-M1039 HydrophobicContact CG2-CB 4.01Å; I930-I1040 HydrophobicContact CG2-CG1 4.11Å; I930-C1043 HydrophobicContact CD1-CB 3.69Å
931V95.5Very high93.7Very high65 Ų6566.7 Ų66.739%0.39434%0.335SS..Hα-helixtrans-65.8-45.4177.7173.30000110L927 F935 I1040L927-V931 HydrophobicContact CD1-CG2 4.02Å; L927-V931 HydrophobicContact CG-CG2 4.25Å; L927-V931 WeakPolarHBondContact O-CB 3.17Å; L927-V931 VanDerWaalsContact O-CG2 3.28Å; L927-V931 WeakPolarHBondContact O-CG2 3.2Å; L927-V931 PolarHBondContact O-N 3.12Å; V931-F935 VanDerWaalsContact O-CB 3.31Å; V931-F935 WeakPolarHBondContact O-CB 3.15Å; V931-F935 PolarHBondContact O-N 2.93Å; V931-I1040 HydrophobicContact CG2-CD1 4.34Å; V931-I1040 HydrophobicContact CG2-CG1 4.41Å
932G95.4Very high94Very high34 Ų3466.4 Ų66.435%0.35133%0.334SS..Hα-helixtrans-62.2-46.4176.900000112.8I928 F935 C936I928-G932 PolarHBondContact O-N 3.47Å; G932-F935 PolarHBondContact O-N 2.97Å; G932-C936 PolarHBondContact O-N 3.07Å; G932-C936 PolarHBondContact O-SG 3.47Å; G932-C936 VanDerWaalsContact O-SG 3.33Å
933F95.7Very high94.2Very high88 Ų8864.2 Ų64.239%0.38633%0.331SS..Hα-helixtrans-63.3-45.5178.8-177.1-106.7000112.5G528 L531 L532 K929 F935 C936 L937G528-F933 WeakPolarHBondContact O-CE1 3.31Å; L531-F933 HydrophobicContact CD2-CD1 4.2Å; L531-F933 HydrophobicContact CD2-CE1 4.3Å; L532-F933 HydrophobicContact CB-CZ 4.33Å; K929-F933 WeakPolarHBondContact O-CB 3.12Å; K929-F933 PolarHBondContact O-N 3.45Å; F933-F935 VanDerWaalsContact C-N 3.33Å; F933-F935 PolarHBondContact O-N 2.82Å; F933-C936 PolarHBondContact O-N 2.84Å; F933-L937 HydrophobicContact CD1-CD1 4.15Å; F933-L937 HydrophobicContact CE1-CD1 3.53Å; F933-L937 HydrophobicContact CE1-CG 4.42Å; F933-L937 HydrophobicContact CE2-CD1 4.46Å; F933-L937 HydrophobicContact CZ-CD1 3.73Å; F933-L937 HydrophobicContact CZ-CG 4.35Å; F933-L937 PolarHBondContact O-N 3.21Å; F933-L937 VanDerWaalsContact O-N 3.17Å
934G95.8Very high94.4Very high0 Ų063.8 Ų63.80%033%0.328CS..Hα-helixtrans-65.4-35.5176.300000113I930 L937 S938I930-G934 PolarHBondContact O-N 3.35Å; G934-L937 PolarHBondContact O-N 3.13Å; G934-S938 WeakPolarHBondContact O-CB 3.44Å; G934-S938 PolarHBondContact O-N 2.97Å
935F96.7Very high94.5Very high130 Ų13065.1 Ų65.157%0.5733%0.331SS*.Hα-helixtrans-62.9-46.3173.4-179.1-100.3000112.1V931 G932 F933 L937 S938 I939V931-F935 VanDerWaalsContact O-CB 3.31Å; V931-F935 WeakPolarHBondContact O-CB 3.15Å; V931-F935 PolarHBondContact O-N 2.93Å; G932-F935 PolarHBondContact O-N 2.97Å; F933-F935 VanDerWaalsContact C-N 3.33Å; F933-F935 PolarHBondContact O-N 2.82Å; F935-L937 VanDerWaalsContact C-N 3.29Å; F935-L937 PolarHBondContact O-N 3.29Å; F935-S938 WeakPolarHBondContact O-CB 3.46Å; F935-S938 PolarHBondContact O-N 3.12Å; F935-S938 VanDerWaalsContact O-N 3.09Å; F935-I939 HydrophobicContact CD1-CD1 4.24Å; F935-I939 HydrophobicContact CE1-CD1 3.85Å; F935-I939 HydrophobicContact CE1-CG1 4.37Å; F935-I939 HydrophobicContact CZ-CD1 4.44Å; F935-I939 PolarHBondContact O-N 2.95Å; F935-I939 VanDerWaalsContact O-N 3.16Å
936C96.6Very high94.6Very high77 Ų7763 Ų6352%0.5233%0.327SS..Hα-helixtrans-57.1-41.9176-69.10000112.4G932 F933 I939G932-C936 PolarHBondContact O-N 3.07Å; G932-C936 PolarHBondContact O-SG 3.47Å; G932-C936 VanDerWaalsContact O-SG 3.33Å; F933-C936 PolarHBondContact O-N 2.84Å; C936-I939 WeakPolarHBondContact O-CB 3.36Å; C936-I939 PolarHBondContact O-N 3.48Å
937L96Very high94.6Very high11 Ų1164.1 Ų64.16%0.05833%0.332CS..Hα-helixtrans-71.9-31.1176.7-67.1-179000112.8L531 L532 F933 G934 F935 I939 I940 F1032L531-L937 HydrophobicContact CB-CD1 4.27Å; L531-L937 HydrophobicContact CD2-CD1 3.94Å; L531-L937 HydrophobicContact CG-CD1 3.9Å; L532-L937 HydrophobicContact CB-CD1 4.46Å; L532-L937 HydrophobicContact CD1-CD2 3.92Å; F933-L937 HydrophobicContact CD1-CD1 4.15Å; F933-L937 HydrophobicContact CE1-CD1 3.53Å; F933-L937 HydrophobicContact CE1-CG 4.42Å; F933-L937 HydrophobicContact CE2-CD1 4.46Å; F933-L937 HydrophobicContact CZ-CD1 3.73Å; F933-L937 HydrophobicContact CZ-CG 4.35Å; F933-L937 PolarHBondContact O-N 3.21Å; F933-L937 VanDerWaalsContact O-N 3.17Å; G934-L937 PolarHBondContact O-N 3.13Å; F935-L937 VanDerWaalsContact C-N 3.29Å; F935-L937 PolarHBondContact O-N 3.29Å; L937-I939 VanDerWaalsContact C-N 3.25Å; L937-I939 PolarHBondContact O-N 2.7Å; L937-I940 HydrophobicContact CD2-CD1 4.02Å; L937-I940 WeakPolarHBondContact O-CB 3.48Å; L937-I940 PolarHBondContact O-N 2.75Å; L937-I940 VanDerWaalsContact O-N 3.14Å; L937-F1032 HydrophobicContact CB-CE2 3.66Å; L937-F1032 HydrophobicContact CB-CZ 3.79Å; L937-F1032 HydrophobicContact CD1-CE2 4.19Å
938S95.1Very high94.5Very high46 Ų4661.9 Ų61.932%0.32232%0.321SS..Hα-helixtrans-65.2-28174.4-170.60000112.7G934 F935 I940 F941 F942G934-S938 WeakPolarHBondContact O-CB 3.44Å; G934-S938 PolarHBondContact O-N 2.97Å; F935-S938 WeakPolarHBondContact O-CB 3.46Å; F935-S938 PolarHBondContact O-N 3.12Å; F935-S938 VanDerWaalsContact O-N 3.09Å; S938-I940 PolarHBondContact O-N 2.83Å; S938-F941 PolarHBondContact O-N 2.85Å; S938-F942 PolarHBondContact O-N 3.26Å; S938-F942 VanDerWaalsContact O-N 3.1Å
939I96Very high94.4Very high74 Ų7459.7 Ų59.738%0.37931%0.308SS..Hα-helixtrans-62.4-34.6173.8-65.2169.4000110.5F935 C936 L937 F942 I943F935-I939 HydrophobicContact CD1-CD1 4.24Å; F935-I939 HydrophobicContact CE1-CD1 3.85Å; F935-I939 HydrophobicContact CE1-CG1 4.37Å; F935-I939 HydrophobicContact CZ-CD1 4.44Å; F935-I939 PolarHBondContact O-N 2.95Å; F935-I939 VanDerWaalsContact O-N 3.16Å; C936-I939 WeakPolarHBondContact O-CB 3.36Å; C936-I939 PolarHBondContact O-N 3.48Å; L937-I939 VanDerWaalsContact C-N 3.25Å; L937-I939 PolarHBondContact O-N 2.7Å; I939-F942 WeakPolarHBondContact O-CB 3.4Å; I939-F942 PolarHBondContact O-N 2.9Å; I939-I943 HydrophobicContact CG2-CD1 3.87Å; I939-I943 HydrophobicContact CG2-CG1 4.29Å; I939-I943 WeakPolarHBondContact O-CG1 3.19Å; I939-I943 PolarHBondContact O-N 3.34Å
940I93.1Very high94.2Very high48 Ų4858.3 Ų58.325%0.24631%0.307CS..Hα-helixtrans-65-42.9177.7-58175.8000110.6P539 V540 L937 S938 F942 I943 D944P539-I940 HydrophobicContact CB-CG2 4.26Å; P539-I940 HydrophobicContact CG-CG2 4.16Å; V540-I940 HydrophobicContact CG2-CG2 3.68Å; L937-I940 HydrophobicContact CD2-CD1 4.02Å; L937-I940 WeakPolarHBondContact O-CB 3.48Å; L937-I940 PolarHBondContact O-N 2.75Å; L937-I940 VanDerWaalsContact O-N 3.14Å; S938-I940 PolarHBondContact O-N 2.83Å; I940-F942 VanDerWaalsContact C-N 3.27Å; I940-F942 PolarHBondContact O-N 2.89Å; I940-I943 PolarHBondContact O-N 3.35Å; I940-D944 WeakPolarHBondContact O-CB 3.31Å; I940-D944 PolarHBondContact O-N 3.38Å
941F94.9Very high93.9Very high25 Ų2557.6 Ų57.611%0.1130%0.303CS..Hα-helixtrans-60.6-38.3173.3-80.8-90.4000112.1P539 S938 F945 T1024 I1029 F1032P539-F941 HydrophobicContact CB-CD1 4.04Å; P539-F941 HydrophobicContact CB-CE1 4.3Å; P539-F941 HydrophobicContact CB-CG 4.22Å; P539-F941 HydrophobicContact CG-CD1 3.76Å; P539-F941 HydrophobicContact CG-CD2 3.76Å; P539-F941 HydrophobicContact CG-CE1 3.68Å; P539-F941 HydrophobicContact CG-CE2 3.67Å; P539-F941 HydrophobicContact CG-CG 3.81Å; P539-F941 HydrophobicContact CG-CZ 3.63Å; S938-F941 PolarHBondContact O-N 2.85Å; F941-F945 WeakPolarHBondContact O-CB 3.33Å; F941-F945 PolarHBondContact O-N 2.63Å; F941-T1024 HydrophobicContact CE1-CG2 4.28Å; F941-I1029 HydrophobicContact CD1-CG1 4.01Å; F941-I1029 HydrophobicContact CE1-CG1 3.91Å; F941-F1032 HydrophobicContact CD2-CD2 4.45Å; F941-F1032 HydrophobicContact CD2-CG 4.48Å; F941-F1032 HydrophobicContact CE2-CB 4.08Å; F941-F1032 HydrophobicContact CE2-CD1 4.17Å; F941-F1032 AromaticContact CE2-CD2 3.54Å; F941-F1032 HydrophobicContact CE2-CD2 3.54Å; F941-F1032 AromaticContact CE2-CE2 3.94Å; F941-F1032 HydrophobicContact CE2-CE2 3.94Å; F941-F1032 AromaticContact CE2-CG 3.67Å; F941-F1032 HydrophobicContact CE2-CG 3.67Å; F941-F1032 HydrophobicContact CE2-CZ 4.43Å; F941-F1032 HydrophobicContact CZ-CB 3.89Å; F941-F1032 HydrophobicContact CZ-CD2 4.15Å; F941-F1032 HydrophobicContact CZ-CG 4.01Å
942F95Very high93.5Very high130 Ų13058.3 Ų58.357%0.5730%0.302SS*.Hα-helixtrans-67.2-43.6176.9-178.9-104.7000112.2S938 I939 I940 F945 C946S938-F942 PolarHBondContact O-N 3.26Å; S938-F942 VanDerWaalsContact O-N 3.1Å; I939-F942 WeakPolarHBondContact O-CB 3.4Å; I939-F942 PolarHBondContact O-N 2.9Å; I940-F942 VanDerWaalsContact C-N 3.27Å; I940-F942 PolarHBondContact O-N 2.89Å; F942-F945 WeakPolarHBondContact O-CB 3.47Å; F942-F945 PolarHBondContact O-N 2.87Å; F942-C946 PolarHBondContact O-N 3.45Å; F942-C946 PolarHBondContact O-SG 3.11Å; F942-C946 VanDerWaalsContact O-SG 3.35Å
943I93.3Very high93.2Very high79 Ų7960.8 Ų60.841%0.40531%0.311SS..Hα-helixtrans-62.3-46176.1-68.3168.6000110.6L543 I939 I940 F945 C946 I947L543-I943 HydrophobicContact CD1-CG2 4.34Å; L543-I943 HydrophobicContact CD2-CG2 4.35Å; I939-I943 HydrophobicContact CG2-CD1 3.87Å; I939-I943 HydrophobicContact CG2-CG1 4.29Å; I939-I943 WeakPolarHBondContact O-CG1 3.19Å; I939-I943 PolarHBondContact O-N 3.34Å; I940-I943 PolarHBondContact O-N 3.35Å; I943-F945 VanDerWaalsContact C-N 3.31Å; I943-F945 PolarHBondContact O-N 3.47Å; I943-C946 PolarHBondContact O-N 3.34Å; I943-I947 HydrophobicContact CG2-CG1 4.32Å; I943-I947 WeakPolarHBondContact O-CG1 3.13Å; I943-I947 PolarHBondContact O-N 3.38Å
944D93.8Very high92.7Very high5 Ų559 Ų593%0.02731%0.305CS..Hα-helixtrans-59.2-41.9176.6174.659.5000111.9P539 N542 L543 I940 I947 S948 T1024P539-D944 HydrophobicContact CB-CB 3.64Å; N542-D944 WeakPolarHBondContact CB-OD1 3.43Å; N542-D944 PolarHBondContact ND2-OD1 2.77Å; N542-D944 PolarHBondContact ND2-OD2 3.47Å; L543-D944 PolarHBondContact N-OD1 3.28Å; I940-D944 WeakPolarHBondContact O-CB 3.31Å; I940-D944 PolarHBondContact O-N 3.38Å; D944-I947 PolarHBondContact O-N 3.48Å; D944-S948 WeakPolarHBondContact O-CB 3.14Å; D944-S948 PolarHBondContact O-N 2.74Å; D944-S948 PolarHBondContact O-OG 2.86Å; D944-T1024 WeakPolarHBondContact OD2-CB 3.42Å; D944-T1024 PolarHBondContact OD2-OG1 3.45Å
945F93Very high92.1Very high111 Ų11161.2 Ų61.249%0.48732%0.317SS..Hα-helixtrans-59.7-50.9173.3175.5-103.7000111.7F941 F942 I943 I947 S948 E949F941-F945 WeakPolarHBondContact O-CB 3.33Å; F941-F945 PolarHBondContact O-N 2.63Å; F942-F945 WeakPolarHBondContact O-CB 3.47Å; F942-F945 PolarHBondContact O-N 2.87Å; I943-F945 VanDerWaalsContact C-N 3.31Å; I943-F945 PolarHBondContact O-N 3.47Å; F945-I947 VanDerWaalsContact C-N 3.31Å; F945-I947 PolarHBondContact O-N 2.94Å; F945-S948 PolarHBondContact O-N 3.12Å; F945-E949 HydrophobicContact CD2-CG 4.4Å; F945-E949 HydrophobicContact CE1-CG 4.1Å; F945-E949 HydrophobicContact CE2-CG 3.94Å; F945-E949 HydrophobicContact CZ-CG 3.78Å; F945-E949 WeakPolarHBondContact O-CG 3.36Å; F945-E949 PolarHBondContact O-N 3.25Å
946C93.6Very high91.6Very high55 Ų5561.6 Ų61.637%0.37232%0.32SS..Hα-helixtrans-59.6-39.9178.6-680000113F942 I943 L950F942-C946 PolarHBondContact O-N 3.45Å; F942-C946 PolarHBondContact O-SG 3.11Å; F942-C946 VanDerWaalsContact O-SG 3.35Å; I943-C946 PolarHBondContact O-N 3.34Å; C946-L950 WeakPolarHBondContact O-CB 3.48Å; C946-L950 PolarHBondContact O-N 2.75Å
947I91Very high90.9Very high37 Ų3762.2 Ų62.219%0.1932%0.321CS..Hα-helixtrans-70.5-39.7177.7-66.7-66.4000111L543 N546 L547 I943 D944 F945 E949 L950 V951L543-I947 HydrophobicContact CD1-CB 3.8Å; L543-I947 HydrophobicContact CD1-CG1 3.65Å; L543-I947 HydrophobicContact CD1-CG2 3.87Å; N546-I947 HydrophobicContact CB-CG2 4.04Å; L547-I947 HydrophobicContact CD2-CD1 4.3Å; L547-I947 HydrophobicContact CD2-CG2 4.1Å; L547-I947 HydrophobicContact CG-CG2 4.4Å; I943-I947 HydrophobicContact CG2-CG1 4.32Å; I943-I947 WeakPolarHBondContact O-CG1 3.13Å; I943-I947 PolarHBondContact O-N 3.38Å; D944-I947 PolarHBondContact O-N 3.48Å; F945-I947 VanDerWaalsContact C-N 3.31Å; F945-I947 PolarHBondContact O-N 2.94Å; I947-E949 VanDerWaalsContact C-N 3.33Å; I947-E949 PolarHBondContact O-N 2.91Å; I947-L950 PolarHBondContact O-N 3.41Å; I947-V951 HydrophobicContact CG2-CG2 4.27Å; I947-V951 WeakPolarHBondContact O-CB 3.16Å; I947-V951 VanDerWaalsContact O-CG2 3.27Å; I947-V951 WeakPolarHBondContact O-CG2 3.42Å; I947-V951 PolarHBondContact O-N 2.81Å
948S91.9Very high90.1Very high1 Ų161.7 Ų61.71%0.00732%0.318CS..Hα-helixtrans-60.4-43.9176.2-56.60000111.4N542 N546 D944 F945 V951 Q952 K1022N542-S948 PolarHBondContact ND2-OG 2.89Å; N546-S948 PolarHBondContact ND2-OG 3.47Å; D944-S948 WeakPolarHBondContact O-CB 3.14Å; D944-S948 PolarHBondContact O-N 2.74Å; D944-S948 PolarHBondContact O-OG 2.86Å; F945-S948 PolarHBondContact O-N 3.12Å; S948-V951 PolarHBondContact O-N 3.03Å; S948-Q952 PolarHBondContact O-N 3.5Å; S948-K1022 PolarHBondContact OG-O 3.13Å
949E91.1Very high89Confident71 Ų7162.5 Ų62.533%0.33232%0.324SS..Hα-helixtrans-63.9-43.5175-67.2-66.8119.800112.4F945 I947 V951 Q952 V953 Y1023F945-E949 HydrophobicContact CD2-CG 4.4Å; F945-E949 HydrophobicContact CE1-CG 4.1Å; F945-E949 HydrophobicContact CE2-CG 3.94Å; F945-E949 HydrophobicContact CZ-CG 3.78Å; F945-E949 WeakPolarHBondContact O-CG 3.36Å; F945-E949 PolarHBondContact O-N 3.25Å; I947-E949 VanDerWaalsContact C-N 3.33Å; I947-E949 PolarHBondContact O-N 2.91Å; E949-V951 VanDerWaalsContact C-N 3.32Å; E949-V951 PolarHBondContact O-N 2.89Å; E949-Q952 WeakPolarHBondContact O-CB 3.48Å; E949-Q952 PolarHBondContact O-N 3.14Å; E949-V953 WeakPolarHBondContact O-CG2 3.35Å; E949-V953 PolarHBondContact O-N 3.49Å; E949-Y1023 WeakPolarHBondContact OE1-CE1 3.42Å; E949-Y1023 PolarHBondContact OE1-OH 2.88Å
950L90.1Very high88.1Confident119 Ų11962.5 Ų62.562%0.62333%0.328SS*.Hα-helixtrans-59.4-43.6176-173.992.2000111.6C946 I947 Q952 V953 L954C946-L950 WeakPolarHBondContact O-CB 3.48Å; C946-L950 PolarHBondContact O-N 2.75Å; I947-L950 PolarHBondContact O-N 3.41Å; L950-Q952 VanDerWaalsContact C-N 3.34Å; L950-V953 PolarHBondContact O-N 3.46Å; L950-L954 PolarHBondContact O-N 3.35Å; L950-L954 VanDerWaalsContact O-N 3.15Å
951V88.2Confident87Confident3 Ų363.8 Ų63.82%0.01834%0.338CS..Hα-helixtrans-70.7-31.8179.5177.60000111.2N546 A550 I947 S948 E949 L954 D955 P1019 A1021N546-V951 HydrophobicContact CB-CG2 4.28Å; A550-V951 HydrophobicContact CB-CG2 4.02Å; I947-V951 HydrophobicContact CG2-CG2 4.27Å; I947-V951 WeakPolarHBondContact O-CB 3.16Å; I947-V951 VanDerWaalsContact O-CG2 3.27Å; I947-V951 WeakPolarHBondContact O-CG2 3.42Å; I947-V951 PolarHBondContact O-N 2.81Å; S948-V951 PolarHBondContact O-N 3.03Å; E949-V951 VanDerWaalsContact C-N 3.32Å; E949-V951 PolarHBondContact O-N 2.89Å; V951-L954 PolarHBondContact O-N 3.36Å; V951-D955 WeakPolarHBondContact O-CB 3.48Å; V951-D955 PolarHBondContact O-N 3.46Å; V951-P1019 HydrophobicContact CG1-CB 3.65Å; V951-P1019 HydrophobicContact CG1-CG 3.58Å; V951-A1021 HydrophobicContact CB-CB 4.28Å; V951-A1021 HydrophobicContact CG1-CB 3.85Å
952Q88.4Confident85.8Confident81 Ų8167.7 Ų67.738%0.37936%0.355SS..Hα-helixtrans-64-44.4172.9-171.3-16916.800111.8S948 E949 L950 L954 D955 E956 A1021 Y1023S948-Q952 PolarHBondContact O-N 3.5Å; E949-Q952 WeakPolarHBondContact O-CB 3.48Å; E949-Q952 PolarHBondContact O-N 3.14Å; L950-Q952 VanDerWaalsContact C-N 3.34Å; Q952-L954 VanDerWaalsContact C-N 3.26Å; Q952-L954 PolarHBondContact O-N 3.09Å; Q952-D955 WeakPolarHBondContact O-CB 3.4Å; Q952-D955 PolarHBondContact O-N 3.16Å; Q952-D955 VanDerWaalsContact O-N 3.16Å; Q952-E956 PolarHBondContact O-N 2.94Å; Q952-A1021 HydrophobicContact CB-CB 4.29Å; Q952-Y1023 WeakPolarHBondContact CB-OH 3.39Å; Q952-Y1023 PolarHBondContact OE1-OH 3.45Å
953V87.8Confident84.5Confident86 Ų8666.3 Ų66.352%0.52135%0.349SS..Hα-helixtrans-60.7-39.9175.4174.10000110.7E949 L950 E956 V957E949-V953 WeakPolarHBondContact O-CG2 3.35Å; E949-V953 PolarHBondContact O-N 3.49Å; L950-V953 PolarHBondContact O-N 3.46Å; V953-E956 PolarHBondContact O-N 3.13Å; V953-V957 WeakPolarHBondContact O-CG2 3.33Å; V953-V957 PolarHBondContact O-N 3.17Å
954L84.9Confident83.1Confident51 Ų5164.8 Ų64.827%0.26734%0.343SS..Hα-helixtrans-64.5-41.2175.4-176.860000112.1F557 L950 V951 Q952 S958 P1019F557-L954 HydrophobicContact CE2-CD1 3.98Å; L950-L954 PolarHBondContact O-N 3.35Å; L950-L954 VanDerWaalsContact O-N 3.15Å; V951-L954 PolarHBondContact O-N 3.36Å; Q952-L954 VanDerWaalsContact C-N 3.26Å; Q952-L954 PolarHBondContact O-N 3.09Å; L954-S958 VanDerWaalsContact O-CB 3.23Å; L954-S958 WeakPolarHBondContact O-CB 3.28Å; L954-S958 PolarHBondContact O-N 3.41Å; L954-S958 PolarHBondContact O-OG 3.42Å; L954-P1019 HydrophobicContact CB-CG 4.34Å; L954-P1019 HydrophobicContact CD2-CG 4.08Å; L954-P1019 HydrophobicContact CG-CG 4.11Å
955D84.7Confident81.6Confident46 Ų4667 Ų6725%0.24637%0.367CS..Hα-helixtrans-60.8-48175.9-166.89.4000111.3V951 Q952 V957 S958 S959 S1018 P1019V951-D955 WeakPolarHBondContact O-CB 3.48Å; V951-D955 PolarHBondContact O-N 3.46Å; Q952-D955 WeakPolarHBondContact O-CB 3.4Å; Q952-D955 PolarHBondContact O-N 3.16Å; Q952-D955 VanDerWaalsContact O-N 3.16Å; D955-V957 PolarHBondContact O-N 3.07Å; D955-S958 WeakPolarHBondContact CA-OG 3.31Å; D955-S958 PolarHBondContact O-N 3.18Å; D955-S958 VanDerWaalsContact O-N 3.16Å; D955-S958 PolarHBondContact O-OG 3Å; D955-S959 PolarHBondContact O-N 3.39Å; D955-S959 VanDerWaalsContact O-N 3.09Å; D955-S1018 WeakPolarHBondContact OD1-CB 3.22Å; D955-S1018 PolarHBondContact OD1-OG 2.91Å; D955-P1019 HydrophobicContact CB-CG 4.32Å
956E84.7Confident79.8Confident137 Ų13766.9 Ų66.964%0.6437%0.371SS*.Hα-helixtrans-60.1-47.4178-173174.4-179.200112.2Q952 V953 S958 S959Q952-E956 PolarHBondContact O-N 2.94Å; V953-E956 PolarHBondContact O-N 3.13Å; E956-S958 VanDerWaalsContact C-N 3.29Å; E956-S958 PolarHBondContact O-N 3.38Å; E956-S959 WeakPolarHBondContact O-CB 3.31Å; E956-S959 PolarHBondContact O-N 2.87Å; E956-S959 PolarHBondContact O-OG 2.91Å
957V81.4Confident77.8Confident90 Ų9068.4 Ų68.455%0.54537%0.373SS..Hα-helixtrans-63.3-37.5176.8173.30000111.4V953 D955 S959 T960V953-V957 WeakPolarHBondContact O-CG2 3.33Å; V953-V957 PolarHBondContact O-N 3.17Å; D955-V957 PolarHBondContact O-N 3.07Å; V957-S959 PolarHBondContact O-N 3.43Å; V957-T960 PolarHBondContact O-OG1 3.29Å
958S80.6Confident75.8Confident0 Ų074.9 Ų74.90%041%0.405CS..Hα-helixtrans-72.5-13.3179.776.10000114.3L954 D955 E956 T960 L1014 N1015 S1018L954-S958 VanDerWaalsContact O-CB 3.23Å; L954-S958 WeakPolarHBondContact O-CB 3.28Å; L954-S958 PolarHBondContact O-N 3.41Å; L954-S958 PolarHBondContact O-OG 3.42Å; D955-S958 WeakPolarHBondContact CA-OG 3.31Å; D955-S958 PolarHBondContact O-N 3.18Å; D955-S958 VanDerWaalsContact O-N 3.16Å; D955-S958 PolarHBondContact O-OG 3Å; E956-S958 VanDerWaalsContact C-N 3.29Å; E956-S958 PolarHBondContact O-N 3.38Å; S958-T960 PolarHBondContact O-N 3.02Å; S958-T960 VanDerWaalsContact O-N 3.15Å; S958-L1014 CarbonylContact O-C 3.6Å; S958-L1014 WeakPolarHBondContact O-CB 3.47Å; S958-N1015 WeakPolarHBondContact O-CA 3.48Å; S958-N1015 PolarHBondContact O-N 3.4Å; S958-N1015 PolarHBondContact O-OD1 3.2Å; S958-N1015 VanDerWaalsContact O-OD1 3.06Å; S958-S1018 WeakPolarHBondContact OG-CA 3.5Å; S958-S1018 WeakPolarHBondContact OG-CB 3.46Å
959S72.2Confident73.5Confident64 Ų6481.5 Ų81.545%0.44844%0.44SS..THydrogen-bonded Turntrans-75.14.4-179.873.60000114.7D955 E956 V957 N1015D955-S959 PolarHBondContact O-N 3.39Å; D955-S959 VanDerWaalsContact O-N 3.09Å; E956-S959 WeakPolarHBondContact O-CB 3.31Å; E956-S959 PolarHBondContact O-N 2.87Å; E956-S959 PolarHBondContact O-OG 2.91Å; V957-S959 PolarHBondContact O-N 3.43Å; S959-N1015 WeakPolarHBondContact CA-OD1 3.34Å; S959-N1015 PolarHBondContact O-OD1 2.94Å
960T75.7Confident71.2Confident73 Ų7385.1 Ų85.145%0.44846%0.462SS..SBendtrans-100.9153.7-173.161.90000113.1V957 S958 L1014 N1015V957-T960 PolarHBondContact O-OG1 3.29Å; S958-T960 PolarHBondContact O-N 3.02Å; S958-T960 VanDerWaalsContact O-N 3.15Å; T960-L1014 WeakPolarHBondContact O-CB 3.41Å; T960-L1014 PolarHBondContact O-N 3.23Å; T960-N1015 PolarHBondContact N-OD1 2.92Å
961T71.3Confident69Low75 Ų7589.9 Ų89.946%0.4647%0.471SS..EExtended strand (participates in β ladder)trans-96.2125.7172.459.80000110.1Y1012 N1013T961-Y1012 CarbonylContact C-O 3.6Å; T961-Y1012 WeakPolarHBondContact CA-O 3.49Å; T961-N1013 VanDerWaalsContact CG2-OD1 3.26Å; T961-N1013 WeakPolarHBondContact CG2-OD1 3.28Å
962F70.1Confident66.7Low108 Ų10897 Ų9747%0.47451%0.51SS..EExtended strand (participates in β ladder)trans-93.3116.7174.1-173.9-104.7000109.7M564 V964 Y1012 L1014M564-F962 HydrophobicContact CE-CB 4.16Å; M564-F962 HydrophobicContact CE-CD1 3.74Å; M564-F962 HydrophobicContact CE-CG 4.31Å; M564-F962 HydrophobicContact SD-CD1 4.16Å; M564-F962 HydrophobicContact SD-CE1 4.46Å; F962-V964 HydrophobicContact CD1-CG2 3.84Å; F962-V964 HydrophobicContact CE1-CG2 3.26Å; F962-V964 HydrophobicContact CZ-CG2 4.05Å; F962-Y1012 PolarHBondContact N-O 2.91Å; F962-Y1012 PolarHBondContact O-N 3.23Å; F962-L1014 HydrophobicContact CB-CD1 3.51Å
963K65.9Low64.3Low101 Ų101102 Ų10244%0.43953%0.526SS..EExtended strand (participates in β ladder)trans-107.5123.5178.7-58.9-168.8175.3-165.80109.8E967 I1011K963-E967 IonicContact NZ-OE2 2.75Å; K963-E967 PolarHBondContact NZ-OE2 3.06Å; K963-I1011 HydrophobicContact CD-CG1 4.38Å; K963-I1011 HydrophobicContact CG-CG1 4.14Å; K963-I1011 HydrophobicContact CG-CG2 4.26Å
964V64.1Low61.8Low46 Ų46104 Ų10428%0.27954%0.541SS..EExtended strand (participates in β ladder)trans-106.2105.8169.2179.40000106.8F962 I1008 L1010F962-V964 HydrophobicContact CD1-CG2 3.84Å; F962-V964 HydrophobicContact CE1-CG2 3.26Å; F962-V964 HydrophobicContact CZ-CG2 4.05Å; V964-I1008 HydrophobicContact CG1-CG2 4.47Å; V964-L1010 HydrophobicContact CB-CB 4.34Å; V964-L1010 PolarHBondContact N-O 3.46Å; V964-L1010 PolarHBondContact O-N 3.02Å
965G62.4Low59.5Low52 Ų52106.6 Ų106.654%0.53656%0.559SS.*EExtended strand (participates in β ladder)trans144.1-171.9-178.700000116.5I1008G965-I1008 WeakPolarHBondContact CA-O 3.44Å
966N56.2Low57.2Low108 Ų108112.5 Ų112.558%0.57859%0.585SS**  trans-100.579.5-179.4-161.227.9000111.1N1009N966-N1009 VanDerWaalsContact C-OD1 3.27Å; N966-N1009 PolarHBondContact N-OD1 3.32Å; N966-N1009 PolarHBondContact O-OD1 3.23Å
967E51.3Low55.1Low88 Ų88112 Ų11241%0.41158%0.583SS.*  trans-122.689.7151.7-88.1-172.9174.100107.4K963 N969K963-E967 IonicContact NZ-OE2 2.75Å; K963-E967 PolarHBondContact NZ-OE2 3.06Å; E967-N969 PolarHBondContact O-N 3.4Å; E967-N969 VanDerWaalsContact O-N 3.1Å
968M47.9Very low52.9Low172 Ų172114.2 Ų114.285%0.84760%0.597SS**  trans-69.3103.1162.6-79-169.6178.700108.4
969N45.5Very low51Low141 Ų141122.7 Ų122.775%0.75463%0.63SS**  trans32.790.4157.5-68.2-20.7000116.6E967 R971E967-N969 PolarHBondContact O-N 3.4Å; E967-N969 VanDerWaalsContact O-N 3.1Å; N969-R971 VanDerWaalsContact C-N 3.3Å; N969-R971 PolarHBondContact O-N 3.15Å
970D42.4Very low49.5Very low147 Ų147124 Ų12479%0.78664%0.639SS**  trans-61.693.5155.5-97.7-30.1000109.7
971R42.8Very low47.9Very low218 Ų218125.7 Ų125.782%0.82365%0.65SS**  trans-100.491.5151.5-72.8-173.3-177.4177.61.6107.2N969 Y973N969-R971 VanDerWaalsContact C-N 3.3Å; N969-R971 PolarHBondContact O-N 3.15Å; R971-Y973 PolarHBondContact O-N 3.3Å; R971-Y973 VanDerWaalsContact O-N 3.09Å
972N41.2Very low46.4Very low154 Ų154126.2 Ų126.282%0.82466%0.656SS**SBendtrans34.362.9153.2-67.4-10.1000116.6
973Y37.3Very low45.6Very low186 Ų186127.6 Ų127.673%0.72966%0.662SS**  trans-137.1118155.9-98.9-84.5000110.1R971 T975R971-Y973 PolarHBondContact O-N 3.3Å; R971-Y973 VanDerWaalsContact O-N 3.09Å; Y973-T975 PolarHBondContact O-N 3.31Å
974P35.3Very low45Very low127 Ų127129.3 Ų129.383%0.82568%0.675SS**  trans-75.185170.231.7-30.2000107.9
975T36.5Very low44.5Very low106 Ų106128.8 Ų128.865%0.6567%0.67SS**  trans-130.391.4166.441.50000105.3Y973Y973-T975 PolarHBondContact O-N 3.31Å
976Q36Very low44.3Very low169 Ų169134.9 Ų134.979%0.7969%0.685SS**  42.6122.798.6-73.9-172.2-9.500112.4
977Q40.1Very low44.4Very low126 Ų126132 Ų13259%0.58968%0.68SS**  trans92.177.1166.6-53.7169.91300114.6Y979Q977-Y979 VanDerWaalsContact C-N 3.26Å; Q977-Y979 HydrophobicContact CB-CE1 4.47Å; Q977-Y979 HydrophobicContact CB-CE2 4.25Å; Q977-Y979 WeakPolarHBondContact O-CD2 3.24Å; Q977-Y979 PolarHBondContact O-N 3.06Å; Q977-Y979 PolarHBondContact OE1-OH 3.02Å
978T36.7Very low45.1Very low138 Ų138135.8 Ų135.885%0.84770%0.703SS**  trans-53.496.3147-26.80000107.2S980T978-S980 PolarHBondContact O-N 2.75Å
979Y40.2Very low45.9Very low178 Ų178129.6 Ų129.670%0.69868%0.684SS**  trans-69.288169.7-69.6-75.2000107.3Q977 T981Q977-Y979 VanDerWaalsContact C-N 3.26Å; Q977-Y979 HydrophobicContact CB-CE1 4.47Å; Q977-Y979 HydrophobicContact CB-CE2 4.25Å; Q977-Y979 WeakPolarHBondContact O-CD2 3.24Å; Q977-Y979 PolarHBondContact O-N 3.06Å; Q977-Y979 PolarHBondContact OE1-OH 3.02Å; Y979-T981 PolarHBondContact O-N 2.94Å
980S40.1Very low46.9Very low90 Ų90126.2 Ų126.263%0.62967%0.665SS**  trans-58.988.6151.4-540000105.7T978 S982T978-S980 PolarHBondContact O-N 2.75Å; S980-S982 PolarHBondContact O-N 3.01Å
981T42.6Very low48.1Very low110 Ų110125.8 Ų125.868%0.67566%0.657SS**  trans-68.684171.153.10000106.3Y979 F983Y979-T981 PolarHBondContact O-N 2.94Å; T981-F983 VanDerWaalsContact C-N 3.26Å; T981-F983 PolarHBondContact O-N 3.3Å
982S40.5Very low49.3Very low85 Ų85117 Ų11759%0.59463%0.626SS**  trans-59.699.1165.756.20000105.5S980 I984S980-S982 PolarHBondContact O-N 3.01Å; S982-I984 VanDerWaalsContact C-N 3.34Å; S982-I984 PolarHBondContact O-N 3.49Å
983F52Low50.5Low138 Ų138113.1 Ų113.161%0.60560%0.603SS**  trans-68.199.7172.7-168.8-84.2000106.3T981 L985 I999T981-F983 VanDerWaalsContact C-N 3.26Å; T981-F983 PolarHBondContact O-N 3.3Å; F983-L985 HydrophobicContact CD1-CB 4.37Å; F983-L985 HydrophobicContact CD1-CD1 3.69Å; F983-L985 HydrophobicContact CD1-CG 4.14Å; F983-L985 HydrophobicContact CE1-CD1 3.55Å; F983-L985 HydrophobicContact CE1-CG 3.89Å; F983-L985 PolarHBondContact O-N 2.92Å; F983-I999 HydrophobicContact CB-CD1 4.48Å; F983-I999 HydrophobicContact CB-CG2 4.28Å; F983-I999 HydrophobicContact CD1-CD1 3.66Å; F983-I999 HydrophobicContact CE1-CD1 4.1Å; F983-I999 HydrophobicContact CG-CD1 4.18Å
984I53.9Low51.9Low136 Ų136105.6 Ų105.670%0.69758%0.575SS**  trans-7695.2-179.1-59.6169.4000106.9S982 Q986S982-I984 VanDerWaalsContact C-N 3.34Å; S982-I984 PolarHBondContact O-N 3.49Å; I984-Q986 PolarHBondContact O-N 3.21Å
985L54Low53.5Low35 Ų35104.2 Ų104.218%0.18356%0.56CS.*  trans-82.7111.4171.4-126.6137.7000107.4F983 I992 L995 I999F983-L985 HydrophobicContact CD1-CB 4.37Å; F983-L985 HydrophobicContact CD1-CD1 3.69Å; F983-L985 HydrophobicContact CD1-CG 4.14Å; F983-L985 HydrophobicContact CE1-CD1 3.55Å; F983-L985 HydrophobicContact CE1-CG 3.89Å; F983-L985 PolarHBondContact O-N 2.92Å; L985-I992 HydrophobicContact CB-CG2 4.34Å; L985-I992 HydrophobicContact CD2-CB 4.1Å; L985-I992 HydrophobicContact CD2-CD1 4.29Å; L985-I992 HydrophobicContact CD2-CG1 3.73Å; L985-I992 HydrophobicContact CD2-CG2 3.81Å; L985-L995 HydrophobicContact CD1-CB 3.81Å; L985-L995 HydrophobicContact CD2-CB 4.19Å; L985-L995 HydrophobicContact CD2-CD1 4.12Å; L985-I999 HydrophobicContact CD1-CD1 3.36Å
986Q57.3Low55Low181 Ų181103.6 Ų103.685%0.84655%0.549SS*.  trans-104.4124.9-173.4-149.4169.48.600110.1I984 I992I984-Q986 PolarHBondContact O-N 3.21Å; Q986-I992 WeakPolarHBondContact O-CD1 3.47Å
987G59.2Low56.5Low47 Ų4796.7 Ų96.749%0.48552%0.517SS..SBendtrans142167.7173.900000112.7I992G987-I992 WeakPolarHBondContact O-CD1 3.43Å; G987-I992 WeakPolarHBondContact O-CG2 3.31Å
988D64.6Low57.7Low167 Ų16791.7 Ų91.789%0.89350%0.499SS*.  trans-115.8107.2-175.250.4-27.3000109.9
989G65.7Low59.3Low43 Ų4387.4 Ų87.444%0.44347%0.47SS..SBendtrans178.4157.9179.300000113.4F991 I992 E993G989-F991 PolarHBondContact O-N 2.97Å; G989-F991 VanDerWaalsContact O-N 3.12Å; G989-I992 PolarHBondContact O-N 3.09Å; G989-E993 PolarHBondContact O-N 3.22Å
990I67.4Low60.5Low69 Ų6983.2 Ų83.235%0.35446%0.456SS..Hα-helixtrans-53.9-35.5-179.7-62.3170.6000111.2K594 L994K594-I990 HydrophobicContact CB-CG2 4.26Å; I990-L994 HydrophobicContact CG2-CD1 4.14Å; I990-L994 WeakPolarHBondContact O-CD1 3.46Å; I990-L994 VanDerWaalsContact O-CG 3.23Å; I990-L994 WeakPolarHBondContact O-CG 3.42Å; I990-L994 PolarHBondContact O-N 3.05Å
991F65.9Low61.6Low139 Ų13982.5 Ų82.561%0.6144%0.444SS*.Hα-helixtrans-72-33.9179.7-69.8-77.5000114F799 G989 L994 L995F799-F991 HydrophobicContact CE2-CE1 4.35Å; F799-F991 HydrophobicContact CE2-CZ 4.13Å; G989-F991 PolarHBondContact O-N 2.97Å; G989-F991 VanDerWaalsContact O-N 3.12Å; F991-L994 PolarHBondContact O-N 3.26Å; F991-L995 WeakPolarHBondContact O-CB 3.28Å; F991-L995 VanDerWaalsContact O-CG 3.31Å; F991-L995 WeakPolarHBondContact O-CG 3.22Å; F991-L995 PolarHBondContact O-N 3.36Å
992I68.1Low62.7Low34 Ų3483.4 Ų83.417%0.17444%0.443CS..Hα-helixtrans-71.2-43.9-177.7-71.1-175.4000110.2L985 Q986 G987 G989 L994 L995 Q996L985-I992 HydrophobicContact CB-CG2 4.34Å; L985-I992 HydrophobicContact CD2-CB 4.1Å; L985-I992 HydrophobicContact CD2-CD1 4.29Å; L985-I992 HydrophobicContact CD2-CG1 3.73Å; L985-I992 HydrophobicContact CD2-CG2 3.81Å; Q986-I992 WeakPolarHBondContact O-CD1 3.47Å; G987-I992 WeakPolarHBondContact O-CD1 3.43Å; G987-I992 WeakPolarHBondContact O-CG2 3.31Å; G989-I992 PolarHBondContact O-N 3.09Å; I992-L994 VanDerWaalsContact C-N 3.26Å; I992-L994 PolarHBondContact O-N 2.83Å; I992-L995 PolarHBondContact O-N 2.92Å; I992-Q996 WeakPolarHBondContact O-CB 3.27Å; I992-Q996 PolarHBondContact O-N 3.37Å
993E67.3Low64Low72 Ų7283 Ų8334%0.33643%0.432SS..Hα-helixtrans-60.2-38.9174.7-161.6-169.4153.100111.4G989 K997G989-E993 PolarHBondContact O-N 3.22Å; E993-K997 HydrophobicContact CG-CD 4.4Å; E993-K997 WeakPolarHBondContact O-CB 3.38Å; E993-K997 VanDerWaalsContact O-CG 3.31Å; E993-K997 WeakPolarHBondContact O-CG 3.48Å; E993-K997 PolarHBondContact O-N 3.37Å; E993-K997 IonicContact OE1-NZ 3.23Å; E993-K997 PolarHBondContact OE1-NZ 3.03Å
994L66.4Low64.6Low28 Ų2879.4 Ų79.415%0.14742%0.415CS..Hα-helixtrans-66.1-46.4176.2-71.7172000112.6Y587 I591 I990 F991 I992 K997 G998Y587-L994 HydrophobicContact CD2-CD2 4.21Å; Y587-L994 HydrophobicContact CE2-CB 4.32Å; Y587-L994 HydrophobicContact CE2-CD2 3.53Å; Y587-L994 WeakPolarHBondContact CE2-O 3.43Å; I591-L994 HydrophobicContact CD1-CD2 3.99Å; I591-L994 HydrophobicContact CG1-CD2 3.27Å; I990-L994 HydrophobicContact CG2-CD1 4.14Å; I990-L994 WeakPolarHBondContact O-CD1 3.46Å; I990-L994 VanDerWaalsContact O-CG 3.23Å; I990-L994 WeakPolarHBondContact O-CG 3.42Å; I990-L994 PolarHBondContact O-N 3.05Å; F991-L994 PolarHBondContact O-N 3.26Å; I992-L994 VanDerWaalsContact C-N 3.26Å; I992-L994 PolarHBondContact O-N 2.83Å; L994-K997 PolarHBondContact O-N 3.35Å; L994-G998 PolarHBondContact O-N 3.36Å
995L68.4Low65Low97 Ų9775.1 Ų75.151%0.50840%0.4SS..Hα-helixtrans-65.1-42.4178.4-75.2169.1000111.5L985 F991 I992 K997 G998 I999L985-L995 HydrophobicContact CD1-CB 3.81Å; L985-L995 HydrophobicContact CD2-CB 4.19Å; L985-L995 HydrophobicContact CD2-CD1 4.12Å; F991-L995 WeakPolarHBondContact O-CB 3.28Å; F991-L995 VanDerWaalsContact O-CG 3.31Å; F991-L995 WeakPolarHBondContact O-CG 3.22Å; F991-L995 PolarHBondContact O-N 3.36Å; I992-L995 PolarHBondContact O-N 2.92Å; L995-K997 VanDerWaalsContact C-N 3.34Å; L995-K997 PolarHBondContact O-N 2.9Å; L995-G998 PolarHBondContact O-N 3.46Å; L995-I999 WeakPolarHBondContact O-CB 3.27Å; L995-I999 VanDerWaalsContact O-CG1 3.28Å; L995-I999 WeakPolarHBondContact O-CG1 3.34Å; L995-I999 PolarHBondContact O-N 3.34Å
996Q69.4Low65.5Low93 Ų9376.8 Ų76.844%0.43541%0.414SS..Hα-helixtrans-63.3-42179.5-160.7171.812.500110.9I992 I999 K1000I992-Q996 WeakPolarHBondContact O-CB 3.27Å; I992-Q996 PolarHBondContact O-N 3.37Å; Q996-I999 PolarHBondContact O-N 2.92Å; Q996-K1000 WeakPolarHBondContact O-CG 3.49Å; Q996-K1000 PolarHBondContact O-N 3.41Å
997K66.3Low65.8Low24 Ų2474.5 Ų74.510%0.10440%0.404CS..Hα-helixtrans-66.6-38.8173.4-73.1175.9176.5176.10112.5D584 Y587 E993 L994 L995 M1001D584-K997 VanDerWaalsContact CG-CE 3.44Å; D584-K997 IonicContact OD1-NZ 2.76Å; D584-K997 PolarHBondContact OD1-NZ 2.81Å; Y587-K997 HydrophobicContact CD2-CB 3.46Å; Y587-K997 VanDerWaalsContact CD2-CB 3.46Å; Y587-K997 HydrophobicContact CD2-CD 3.95Å; Y587-K997 HydrophobicContact CD2-CG 4.28Å; Y587-K997 HydrophobicContact CE2-CB 3.75Å; Y587-K997 HydrophobicContact CG-CB 4.45Å; E993-K997 HydrophobicContact CG-CD 4.4Å; E993-K997 WeakPolarHBondContact O-CB 3.38Å; E993-K997 VanDerWaalsContact O-CG 3.31Å; E993-K997 WeakPolarHBondContact O-CG 3.48Å; E993-K997 PolarHBondContact O-N 3.37Å; E993-K997 IonicContact OE1-NZ 3.23Å; E993-K997 PolarHBondContact OE1-NZ 3.03Å; L994-K997 PolarHBondContact O-N 3.35Å; L995-K997 VanDerWaalsContact C-N 3.34Å; L995-K997 PolarHBondContact O-N 2.9Å; K997-M1001 PolarHBondContact O-N 2.94Å; K997-M1001 VanDerWaalsContact O-N 3.16Å
998G66.1Low66Low21 Ų2173.3 Ų73.322%0.21639%0.386CS..Hα-helixtrans-64.7-39174.300000113.7L994 L995 M1001 L1002L994-G998 PolarHBondContact O-N 3.36Å; L995-G998 PolarHBondContact O-N 3.46Å; G998-M1001 WeakPolarHBondContact O-CB 3.23Å; G998-M1001 PolarHBondContact O-N 3.46Å; G998-L1002 PolarHBondContact O-N 3.45Å; G998-L1002 VanDerWaalsContact O-N 3.09Å
999I68.9Low65.9Low48 Ų4869.1 Ų69.125%0.24636%0.364CS..Hα-helixtrans-68.5-43.3176.4-70.6166.3000110.8F983 L985 L995 Q996 M1001 L1002 Q1003F983-I999 HydrophobicContact CB-CD1 4.48Å; F983-I999 HydrophobicContact CB-CG2 4.28Å; F983-I999 HydrophobicContact CD1-CD1 3.66Å; F983-I999 HydrophobicContact CE1-CD1 4.1Å; F983-I999 HydrophobicContact CG-CD1 4.18Å; L985-I999 HydrophobicContact CD1-CD1 3.36Å; L995-I999 WeakPolarHBondContact O-CB 3.27Å; L995-I999 VanDerWaalsContact O-CG1 3.28Å; L995-I999 WeakPolarHBondContact O-CG1 3.34Å; L995-I999 PolarHBondContact O-N 3.34Å; Q996-I999 PolarHBondContact O-N 2.92Å; I999-M1001 PolarHBondContact O-N 2.92Å; I999-L1002 PolarHBondContact O-N 2.94Å; I999-L1002 VanDerWaalsContact O-N 3.14Å; I999-Q1003 WeakPolarHBondContact O-CB 3.37Å; I999-Q1003 PolarHBondContact O-N 3.02Å
1000K65.7Low66.1Low91 Ų9168.7 Ų68.740%0.39635%0.351SS..Hα-helixtrans-55.1-40.4172.6-77.6-175.3172.7-168.30111.6E582 Q996 Q1003 Y1004E582-K1000 IonicContact OE2-NZ 2.83Å; E582-K1000 PolarHBondContact OE2-NZ 2.87Å; Q996-K1000 WeakPolarHBondContact O-CG 3.49Å; Q996-K1000 PolarHBondContact O-N 3.41Å; K1000-Q1003 PolarHBondContact O-N 3.37Å; K1000-Y1004 PolarHBondContact O-N 3.18Å
1001M63.6Low66.3Low75 Ų7569.4 Ų69.437%0.36936%0.355SS..Hα-helixtrans-58.7-50.6174.1-116.1-55.9-158.600112.8K576 I579 K997 G998 I999 Q1003 Y1004 A1005K576-M1001 HydrophobicContact CG-CE 4.03Å; I579-M1001 HydrophobicContact CD1-CB 4.35Å; I579-M1001 HydrophobicContact CD1-CE 3.45Å; I579-M1001 VanDerWaalsContact CD1-CE 3.45Å; I579-M1001 HydrophobicContact CD1-CG 3.3Å; I579-M1001 HydrophobicContact CD1-SD 3.14Å; I579-M1001 WeakPolarHBondContact CD1-SD 3.28Å; K997-M1001 PolarHBondContact O-N 2.94Å; K997-M1001 VanDerWaalsContact O-N 3.16Å; G998-M1001 WeakPolarHBondContact O-CB 3.23Å; G998-M1001 PolarHBondContact O-N 3.46Å; I999-M1001 PolarHBondContact O-N 2.92Å; M1001-Q1003 VanDerWaalsContact C-N 3.3Å; M1001-Q1003 PolarHBondContact O-N 2.85Å; M1001-Y1004 PolarHBondContact O-N 3.1Å; M1001-A1005 PolarHBondContact O-N 3.28Å
1002L65.4Low66.8Low128 Ų12864 Ų6467%0.6733%0.33SS*.Hα-helixtrans-64.1-37.7178.2-85.3154.6000111.5G998 I999 A1005 S1006G998-L1002 PolarHBondContact O-N 3.45Å; G998-L1002 VanDerWaalsContact O-N 3.09Å; I999-L1002 PolarHBondContact O-N 2.94Å; I999-L1002 VanDerWaalsContact O-N 3.14Å; L1002-A1005 PolarHBondContact O-N 2.93Å; L1002-S1006 WeakPolarHBondContact O-CB 3.41Å; L1002-S1006 PolarHBondContact O-N 2.88Å
1003Q67.6Low67.3Low76 Ų7666.4 Ų66.436%0.35534%0.344SS..Hα-helixtrans-66-45.5177.7-168.8171.8-4.900111I999 K1000 M1001 A1005 S1006 E1007I999-Q1003 WeakPolarHBondContact O-CB 3.37Å; I999-Q1003 PolarHBondContact O-N 3.02Å; K1000-Q1003 PolarHBondContact O-N 3.37Å; M1001-Q1003 VanDerWaalsContact C-N 3.3Å; M1001-Q1003 PolarHBondContact O-N 2.85Å; Q1003-A1005 VanDerWaalsContact C-N 3.32Å; Q1003-A1005 PolarHBondContact O-N 3.01Å; Q1003-S1006 WeakPolarHBondContact CA-OG 3.15Å; Q1003-S1006 WeakPolarHBondContact O-CB 3.4Å; Q1003-S1006 PolarHBondContact O-N 3.12Å; Q1003-S1006 PolarHBondContact O-OG 3.11Å; Q1003-E1007 PolarHBondContact O-N 3.31Å
1004Y64.9Low68Low63 Ų6364.3 Ų64.325%0.24734%0.335CS..Hα-helixtrans-60.9-40.6174.3-164.7-85.1000112.1F571 G575 V578 K1000 M1001 S1006 E1007F571-Y1004 HydrophobicContact CD1-CD1 4.48Å; F571-Y1004 HydrophobicContact CD1-CE1 4.02Å; F571-Y1004 AromaticContact CE1-CD1 3.57Å; F571-Y1004 HydrophobicContact CE1-CD1 3.57Å; F571-Y1004 AromaticContact CE1-CE1 3.32Å; F571-Y1004 HydrophobicContact CE1-CE1 3.32Å; F571-Y1004 WeakPolarHBondContact CE1-O 3.47Å; F571-Y1004 HydrophobicContact CE2-CE1 4.22Å; F571-Y1004 AromaticContact CZ-CD1 3.92Å; F571-Y1004 HydrophobicContact CZ-CD1 3.92Å; F571-Y1004 AromaticContact CZ-CE1 3.46Å; F571-Y1004 HydrophobicContact CZ-CE1 3.46Å; F571-Y1004 VanDerWaalsContact CZ-CE1 3.46Å; G575-Y1004 VanDerWaalsContact CA-CD1 3.49Å; V578-Y1004 HydrophobicContact CG1-CE2 4.46Å; V578-Y1004 HydrophobicContact CG2-CE2 4.31Å; K1000-Y1004 PolarHBondContact O-N 3.18Å; M1001-Y1004 PolarHBondContact O-N 3.1Å; Y1004-S1006 VanDerWaalsContact C-N 3.26Å; Y1004-S1006 PolarHBondContact O-N 3.46Å; Y1004-E1007 PolarHBondContact O-N 2.91Å
1005A61.9Low68.7Low46 Ų4667.1 Ų67.138%0.3835%0.35SS..Hα-helixtrans-65.7-28.3174.200000113M1001 L1002 Q1003 E1007 I1008M1001-A1005 PolarHBondContact O-N 3.28Å; L1002-A1005 PolarHBondContact O-N 2.93Å; Q1003-A1005 VanDerWaalsContact C-N 3.32Å; Q1003-A1005 PolarHBondContact O-N 3.01Å; A1005-E1007 VanDerWaalsContact C-N 3.33Å; A1005-I1008 VanDerWaalsContact O-CD1 3.32Å; A1005-I1008 WeakPolarHBondContact O-CD1 3.33Å; A1005-I1008 WeakPolarHBondContact O-CG1 3.46Å
1006S65.1Low69.4Low70 Ų7069.2 Ų69.249%0.4936%0.36SS..Hα-helixtrans-76.5-18.3176.275.10000113.9L1002 Q1003 Y1004 I1008L1002-S1006 WeakPolarHBondContact O-CB 3.41Å; L1002-S1006 PolarHBondContact O-N 2.88Å; Q1003-S1006 WeakPolarHBondContact CA-OG 3.15Å; Q1003-S1006 WeakPolarHBondContact O-CB 3.4Å; Q1003-S1006 PolarHBondContact O-N 3.12Å; Q1003-S1006 PolarHBondContact O-OG 3.11Å; Y1004-S1006 VanDerWaalsContact C-N 3.26Å; Y1004-S1006 PolarHBondContact O-N 3.46Å; S1006-I1008 VanDerWaalsContact C-N 3.29Å; S1006-I1008 PolarHBondContact O-N 3.49Å
1007E63Low70.1Confident134 Ų13465 Ų6563%0.62634%0.341SS*.THydrogen-bonded Turntrans-86.12.6-179.8-158.3169-169.800113.2Q1003 Y1004 A1005 N1009Q1003-E1007 PolarHBondContact O-N 3.31Å; Y1004-E1007 PolarHBondContact O-N 2.91Å; A1005-E1007 VanDerWaalsContact C-N 3.33Å; E1007-N1009 PolarHBondContact O-N 3.16Å; E1007-N1009 VanDerWaalsContact O-N 3.11Å
1008I63.5Low70.9Confident21 Ų2165.2 Ų65.211%0.10835%0.346CS..  trans-63.2113.9174.2-63.7170.9000109.1F571 V964 G965 A1005 S1006 L1010F571-I1008 HydrophobicContact CD1-CD1 3.67Å; F571-I1008 HydrophobicContact CD1-CG1 3.31Å; F571-I1008 HydrophobicContact CE1-CB 4.34Å; F571-I1008 HydrophobicContact CE1-CD1 3.8Å; F571-I1008 HydrophobicContact CE1-CG1 3.09Å; F571-I1008 HydrophobicContact CE2-CG1 4.35Å; F571-I1008 HydrophobicContact CG-CG1 4.06Å; F571-I1008 HydrophobicContact CZ-CG1 3.66Å; V964-I1008 HydrophobicContact CG1-CG2 4.47Å; G965-I1008 WeakPolarHBondContact CA-O 3.44Å; A1005-I1008 VanDerWaalsContact O-CD1 3.32Å; A1005-I1008 WeakPolarHBondContact O-CD1 3.33Å; A1005-I1008 WeakPolarHBondContact O-CG1 3.46Å; S1006-I1008 VanDerWaalsContact C-N 3.29Å; S1006-I1008 PolarHBondContact O-N 3.49Å; I1008-L1010 HydrophobicContact CG2-CD1 4.13Å; I1008-L1010 HydrophobicContact CG2-CG 4.13Å
1009N63.8Low71.7Confident79 Ų7964.5 Ų64.542%0.42234%0.337SS..EExtended strand (participates in β ladder)trans-128.992.5169.2-78.7-20.1000109.3N966 E1007N966-N1009 VanDerWaalsContact C-OD1 3.27Å; N966-N1009 PolarHBondContact N-OD1 3.32Å; N966-N1009 PolarHBondContact O-OD1 3.23Å; E1007-N1009 PolarHBondContact O-N 3.16Å; E1007-N1009 VanDerWaalsContact O-N 3.11Å
1010L68.8Low72.2Confident35 Ų3569.8 Ų69.818%0.18336%0.358CS..EExtended strand (participates in β ladder)trans-109.4116.3175.6-62.5168.4000109.3V964 I1008 Y1012V964-L1010 HydrophobicContact CB-CB 4.34Å; V964-L1010 PolarHBondContact N-O 3.46Å; V964-L1010 PolarHBondContact O-N 3.02Å; I1008-L1010 HydrophobicContact CG2-CD1 4.13Å; I1008-L1010 HydrophobicContact CG2-CG 4.13Å; L1010-Y1012 HydrophobicContact CB-CD2 4.45Å; L1010-Y1012 HydrophobicContact CB-CE2 3.62Å
1011I71.4Confident73.1Confident83 Ų8366.6 Ų66.643%0.42635%0.349SS..EExtended strand (participates in β ladder)trans-110.5125.3-179.6-56.4175.7000108.7K963K963-I1011 HydrophobicContact CD-CG1 4.38Å; K963-I1011 HydrophobicContact CG-CG1 4.14Å; K963-I1011 HydrophobicContact CG-CG2 4.26Å
1012Y77.8Confident74.3Confident25 Ų2568.1 Ų68.110%0.09835%0.353CS..EExtended strand (participates in β ladder)trans-123.4132.2177.6-61.3-88.8000111L560 M564 D567 T961 F962 L1010L560-Y1012 HydrophobicContact CD1-CD1 3.89Å; M564-Y1012 HydrophobicContact CB-CE2 4.29Å; M564-Y1012 HydrophobicContact CE-CD1 4.08Å; M564-Y1012 HydrophobicContact CE-CD2 3.63Å; M564-Y1012 HydrophobicContact CE-CE2 4.46Å; M564-Y1012 HydrophobicContact CE-CG 3.39Å; M564-Y1012 HydrophobicContact CG-CD1 3.87Å; M564-Y1012 HydrophobicContact CG-CD2 3.73Å; M564-Y1012 HydrophobicContact CG-CE1 3.78Å; M564-Y1012 HydrophobicContact CG-CE2 3.62Å; M564-Y1012 HydrophobicContact CG-CG 3.85Å; M564-Y1012 HydrophobicContact SD-CD2 4.4Å; M564-Y1012 HydrophobicContact SD-CG 4.48Å; D567-Y1012 WeakPolarHBondContact CB-OH 3.26Å; D567-Y1012 PolarHBondContact OD2-OH 2.85Å; T961-Y1012 CarbonylContact C-O 3.6Å; T961-Y1012 WeakPolarHBondContact CA-O 3.49Å; F962-Y1012 PolarHBondContact N-O 2.91Å; F962-Y1012 PolarHBondContact O-N 3.23Å; L1010-Y1012 HydrophobicContact CB-CD2 4.45Å; L1010-Y1012 HydrophobicContact CB-CE2 3.62Å
1013N78.2Confident75.5Confident85 Ų8566.8 Ų66.846%0.45534%0.34SS..EExtended strand (participates in β ladder)trans-93.2113.9176.9-63.6-26.3000109.6T961 N1015T961-N1013 VanDerWaalsContact CG2-OD1 3.26Å; T961-N1013 WeakPolarHBondContact CG2-OD1 3.28Å; N1013-N1015 PolarHBondContact O-N 2.87Å
1014L82.4Confident76.5Confident28 Ų2864.2 Ų64.215%0.14733%0.329CS..G310 helixtrans-75.8-15.9178.8-78.168.5000112.3F557 L560 M564 S958 T960 F962 I1016 C1017F557-L1014 HydrophobicContact CE1-CB 4.25Å; F557-L1014 HydrophobicContact CE1-CD2 3.99Å; F557-L1014 HydrophobicContact CE1-CG 4.15Å; L560-L1014 HydrophobicContact CD2-CD1 4.41Å; L560-L1014 HydrophobicContact CD2-CG 4.16Å; M564-L1014 HydrophobicContact CE-CD1 4.47Å; S958-L1014 CarbonylContact O-C 3.6Å; S958-L1014 WeakPolarHBondContact O-CB 3.47Å; T960-L1014 WeakPolarHBondContact O-CB 3.41Å; T960-L1014 PolarHBondContact O-N 3.23Å; F962-L1014 HydrophobicContact CB-CD1 3.51Å; L1014-I1016 PolarHBondContact O-N 2.82Å; L1014-C1017 WeakPolarHBondContact O-CA 3.16Å; L1014-C1017 WeakPolarHBondContact O-CB 3.42Å; L1014-C1017 PolarHBondContact O-N 2.8Å
1015N81.2Confident77.7Confident88 Ų8866.2 Ų66.247%0.47134%0.34SS..G310 helixtrans-58.8-23.8-177.6-57.424.5000112.8S958 S959 T960 N1013 C1017 S1018S958-N1015 WeakPolarHBondContact O-CA 3.48Å; S958-N1015 PolarHBondContact O-N 3.4Å; S958-N1015 PolarHBondContact O-OD1 3.2Å; S958-N1015 VanDerWaalsContact O-OD1 3.06Å; S959-N1015 WeakPolarHBondContact CA-OD1 3.34Å; S959-N1015 PolarHBondContact O-OD1 2.94Å; T960-N1015 PolarHBondContact N-OD1 2.92Å; N1013-N1015 PolarHBondContact O-N 2.87Å; N1015-C1017 PolarHBondContact O-N 2.96Å; N1015-S1018 WeakPolarHBondContact O-CB 2.98Å; N1015-S1018 PolarHBondContact O-N 3.33Å
1016I81.4Confident79Confident140 Ų14067.6 Ų67.672%0.71835%0.347SS*.G310 helixtrans-61.6-26.7173.9-72164.5000111.5L1014L1014-I1016 PolarHBondContact O-N 2.82Å
1017C84.4Confident80.2Confident5 Ų572.1 Ų72.13%0.03436%0.357CS..G310 helixtrans-101.616.6179.6-56.10000113.4S553 C556 F557 L1014 N1015S553-C1017 WeakPolarHBondContact CB-O 3.28Å; S553-C1017 PolarHBondContact OG-O 3.42Å; S553-C1017 VanDerWaalsContact OG-O 3.07Å; C556-C1017 HydrophobicContact CB-CB 3.57Å; C556-C1017 WeakPolarHBondContact CB-SG 3.35Å; C556-C1017 WeakPolarHBondContact SG-CA 3.42Å; C556-C1017 WeakPolarHBondContact SG-CB 3.44Å; C556-C1017 CovalentContact SG-SG 2.04Å; C556-C1017 PolarHBondContact SG-SG 2.92Å; F557-C1017 HydrophobicContact CD1-CB 3.98Å; F557-C1017 HydrophobicContact CD2-CB 4.37Å; F557-C1017 HydrophobicContact CE1-CB 3.7Å; F557-C1017 HydrophobicContact CE2-CB 4.12Å; F557-C1017 HydrophobicContact CG-CB 4.29Å; F557-C1017 HydrophobicContact CZ-CB 3.78Å; L1014-C1017 WeakPolarHBondContact O-CA 3.16Å; L1014-C1017 WeakPolarHBondContact O-CB 3.42Å; L1014-C1017 PolarHBondContact O-N 2.8Å; N1015-C1017 PolarHBondContact O-N 2.96Å
1018S84.5Confident81.5Confident29 Ų2968.6 Ų68.620%0.20334%0.339CS..  trans-72.6131.3178.7156.80000111.9D955 S958 N1015 K1020D955-S1018 WeakPolarHBondContact OD1-CB 3.22Å; D955-S1018 PolarHBondContact OD1-OG 2.91Å; S958-S1018 WeakPolarHBondContact OG-CA 3.5Å; S958-S1018 WeakPolarHBondContact OG-CB 3.46Å; N1015-S1018 WeakPolarHBondContact O-CB 2.98Å; N1015-S1018 PolarHBondContact O-N 3.33Å; S1018-K1020 VanDerWaalsContact C-N 3.3Å; S1018-K1020 PolarHBondContact O-N 3.38Å; S1018-K1020 PolarHBondContact OG-N 3.44Å
1019P83Confident82.9Confident5 Ų571.4 Ų71.43%0.03235%0.353CS..  trans-74.8-8.5178.627.8-34.4000114.8S549 S553 V951 L954 D955S549-P1019 WeakPolarHBondContact CB-O 3.18Å; S553-P1019 WeakPolarHBondContact OG-CA 3.4Å; S553-P1019 VanDerWaalsContact OG-CB 3.22Å; S553-P1019 WeakPolarHBondContact OG-CB 3.47Å; S553-P1019 WeakPolarHBondContact OG-CD 3.47Å; S553-P1019 VanDerWaalsContact OG-N 3.16Å; V951-P1019 HydrophobicContact CG1-CB 3.65Å; V951-P1019 HydrophobicContact CG1-CG 3.58Å; L954-P1019 HydrophobicContact CB-CG 4.34Å; L954-P1019 HydrophobicContact CD2-CG 4.08Å; L954-P1019 HydrophobicContact CG-CG 4.11Å; D955-P1019 HydrophobicContact CB-CG 4.32Å
1020K79.6Confident84.3Confident159 Ų15972.4 Ų72.469%0.69136%0.357SS*.  trans44.280-173.5-61.6-176.2-179.1-179.70113.2S1018S1018-K1020 VanDerWaalsContact C-N 3.3Å; S1018-K1020 PolarHBondContact O-N 3.38Å; S1018-K1020 PolarHBondContact OG-N 3.44Å
1021A84.5Confident85.4Confident24 Ų2474.8 Ų74.820%0.19837%0.368CS..  trans-57.5137.6-176.700000112.7V951 Q952V951-A1021 HydrophobicContact CB-CB 4.28Å; V951-A1021 HydrophobicContact CG1-CB 3.85Å; Q952-A1021 HydrophobicContact CB-CB 4.29Å
1022K87.8Confident86.6Confident107 Ų10771.2 Ų71.247%0.46535%0.349SS..  trans-117.9139172.2-70.5-171.7-177.4162.40111.6N542 H545 N546 S948N542-K1022 PolarHBondContact ND2-O 3.25Å; N542-K1022 WeakPolarHBondContact OD1-CB 3.45Å; N542-K1022 PolarHBondContact OD1-O 3.49Å; H545-K1022 VanDerWaalsContact CE1-CD 3.43Å; H545-K1022 WeakPolarHBondContact CE1-CD 3.27Å; H545-K1022 VanDerWaalsContact CE1-CE 3.46Å; H545-K1022 WeakPolarHBondContact CE1-CE 3.35Å; H545-K1022 WeakPolarHBondContact NE2-CE 3.44Å; H545-K1022 PolarHBondContact NE2-NZ 3.27Å; N546-K1022 PolarHBondContact ND2-O 3.35Å; N546-K1022 PolarHBondContact OD1-N 2.94Å; N546-K1022 VanDerWaalsContact OD1-N 3.07Å; N546-K1022 PolarHBondContact OD1-O 2.86Å; S948-K1022 PolarHBondContact OG-O 3.13Å
1023Y90.2Very high87.4Confident101 Ų10172.9 Ų72.940%0.39636%0.364SS..PPolyproline II helixtrans-103.3143.1175.8-68.4-87.9000111.2E949 Q952 K1025E949-Y1023 WeakPolarHBondContact OE1-CE1 3.42Å; E949-Y1023 PolarHBondContact OE1-OH 2.88Å; Q952-Y1023 WeakPolarHBondContact CB-OH 3.39Å; Q952-Y1023 PolarHBondContact OE1-OH 3.45Å; Y1023-K1025 PolarHBondContact O-N 3.04Å
1024T89.7Confident88.1Confident21 Ų2172.4 Ų72.413%0.12937%0.365CS..PPolyproline II helixtrans-59.7120.4169.7-71.90000110.3N542 F941 D944 S1026 Y1028N542-T1024 WeakPolarHBondContact CB-OG1 3.38Å; N542-T1024 PolarHBondContact ND2-N 2.96Å; F941-T1024 HydrophobicContact CE1-CG2 4.28Å; D944-T1024 WeakPolarHBondContact OD2-CB 3.42Å; D944-T1024 PolarHBondContact OD2-OG1 3.45Å; T1024-S1026 PolarHBondContact O-N 2.87Å; T1024-Y1028 HydrophobicContact CG2-CD2 4.2Å; T1024-Y1028 HydrophobicContact CG2-CG 4.45Å
1025K89.6Confident88.6Confident106 Ų10672.5 Ų72.546%0.46137%0.365SS..PPolyproline II helixtrans-55.4136179.4-63.4179.2178.4177.90110.3E458 Y1023 K1027 Y1028E458-K1025 IonicContact OE1-NZ 3.96Å; E458-K1025 PolarHBondContact OE1-NZ 2.84Å; E458-K1025 IonicContact OE2-NZ 2.69Å; E458-K1025 PolarHBondContact OE2-NZ 3.28Å; Y1023-K1025 PolarHBondContact O-N 3.04Å; K1025-K1027 PolarHBondContact O-N 3.37Å; K1025-Y1028 HydrophobicContact CB-CD2 3.96Å; K1025-Y1028 HydrophobicContact CB-CE2 4.12Å; K1025-Y1028 HydrophobicContact CD-CE2 4.47Å; K1025-Y1028 PolarHBondContact O-N 3.41Å
1026S88.8Confident89.3Confident75 Ų7571 Ų7152%0.52435%0.353SS..Hα-helixtrans-53.1-28.6-179.6-176.30000113.8T1024 Y1028 I1029 I1030T1024-S1026 PolarHBondContact O-N 2.87Å; S1026-Y1028 VanDerWaalsContact C-N 3.27Å; S1026-Y1028 PolarHBondContact O-N 3.32Å; S1026-I1029 PolarHBondContact O-N 3.3Å; S1026-I1029 VanDerWaalsContact O-N 3.14Å; S1026-I1030 WeakPolarHBondContact O-CG1 3.38Å; S1026-I1030 PolarHBondContact O-N 3.43Å
1027K89.7Confident90.1Very high165 Ų16569.1 Ų69.172%0.71734%0.344SS*.Hα-helixtrans-50.5-43173.3-176.7-179.9177-177.40112.9K1025 H1031K1025-K1027 PolarHBondContact O-N 3.37Å; K1027-H1031 WeakPolarHBondContact O-CB 3.42Å; K1027-H1031 PolarHBondContact O-N 3.44Å
1028Y91.8Very high90.5Very high59 Ų5973.5 Ų73.523%0.23136%0.362CS..Hα-helixtrans-70.7-39-178.9-65.1-76.9000112V534 T1024 K1025 S1026 H1031 F1032V534-Y1028 HydrophobicContact CG1-CD1 4.39Å; T1024-Y1028 HydrophobicContact CG2-CD2 4.2Å; T1024-Y1028 HydrophobicContact CG2-CG 4.45Å; K1025-Y1028 HydrophobicContact CB-CD2 3.96Å; K1025-Y1028 HydrophobicContact CB-CE2 4.12Å; K1025-Y1028 HydrophobicContact CD-CE2 4.47Å; K1025-Y1028 PolarHBondContact O-N 3.41Å; S1026-Y1028 VanDerWaalsContact C-N 3.27Å; S1026-Y1028 PolarHBondContact O-N 3.32Å; Y1028-H1031 PolarHBondContact O-N 3.13Å; Y1028-F1032 VanDerWaalsContact O-CB 3.28Å; Y1028-F1032 WeakPolarHBondContact O-CB 3.46Å; Y1028-F1032 PolarHBondContact O-N 2.94Å
1029I92.2Very high90.9Very high80 Ų8072.7 Ų72.741%0.4136%0.355SS..Hα-helixtrans-64.2-50.1177.7-59.9172.5000109.8F941 S1026 H1031 F1032 S1033F941-I1029 HydrophobicContact CD1-CG1 4.01Å; F941-I1029 HydrophobicContact CE1-CG1 3.91Å; S1026-I1029 PolarHBondContact O-N 3.3Å; S1026-I1029 VanDerWaalsContact O-N 3.14Å; I1029-H1031 VanDerWaalsContact C-N 3.33Å; I1029-H1031 PolarHBondContact O-N 3.04Å; I1029-F1032 PolarHBondContact O-N 2.9Å; I1029-S1033 WeakPolarHBondContact O-CB 3.34Å; I1029-S1033 PolarHBondContact O-N 3.1Å; I1029-S1033 PolarHBondContact O-OG 3.29Å; I1029-S1033 VanDerWaalsContact O-OG 3.11Å
1030I93.5Very high91.5Very high100 Ų10074.2 Ų74.251%0.51336%0.363SS..Hα-helixtrans-61.3-43.7178.2-64.3168.8000110.5S1026 S1033 T1034S1026-I1030 WeakPolarHBondContact O-CG1 3.38Å; S1026-I1030 PolarHBondContact O-N 3.43Å; I1030-S1033 PolarHBondContact O-N 2.94Å; I1030-T1034 HydrophobicContact CG2-CG2 4.2Å; I1030-T1034 WeakPolarHBondContact O-CB 3.25Å; I1030-T1034 VanDerWaalsContact O-CG2 3.23Å; I1030-T1034 WeakPolarHBondContact O-CG2 3.47Å; I1030-T1034 PolarHBondContact O-N 2.88Å; I1030-T1034 PolarHBondContact O-OG1 3.36Å
1031H91.9Very high92.2Very high86 Ų8670.4 Ų70.440%0.39835%0.349SS..Hα-helixtrans-64.7-42179.8-168.743.4000112.3V534 K1027 Y1028 I1029 T1034 L1035V534-H1031 WeakPolarHBondContact CG2-CD2 3.36Å; K1027-H1031 WeakPolarHBondContact O-CB 3.42Å; K1027-H1031 PolarHBondContact O-N 3.44Å; Y1028-H1031 PolarHBondContact O-N 3.13Å; I1029-H1031 VanDerWaalsContact C-N 3.33Å; I1029-H1031 PolarHBondContact O-N 3.04Å; H1031-T1034 WeakPolarHBondContact CA-OG1 3.33Å; H1031-T1034 PolarHBondContact O-OG1 3.14Å; H1031-L1035 WeakPolarHBondContact O-CB 3.44Å; H1031-L1035 WeakPolarHBondContact O-CG 3.49Å; H1031-L1035 PolarHBondContact O-N 3.41Å
1032F95.6Very high92.5Very high7 Ų770.3 Ų70.33%0.03135%0.345CS..Hα-helixtrans-61.3-51.1174.1179.2-89.9000111.7L531 V534 S535 L937 F941 Y1028 I1029 T1034 L1035 W1036L531-F1032 HydrophobicContact CD1-CD2 3.39Å; L531-F1032 HydrophobicContact CD1-CE2 3.51Å; L531-F1032 HydrophobicContact CD1-CG 3.94Å; L531-F1032 HydrophobicContact CD1-CZ 4.12Å; L531-F1032 WeakPolarHBondContact CD1-O 3.42Å; L531-F1032 HydrophobicContact CD2-CE2 3.97Å; L531-F1032 HydrophobicContact CD2-CZ 4.23Å; L531-F1032 HydrophobicContact CG-CD2 3.78Å; L531-F1032 HydrophobicContact CG-CE2 3.45Å; L531-F1032 VanDerWaalsContact CG-CE2 3.45Å; L531-F1032 HydrophobicContact CG-CZ 4.17Å; V534-F1032 HydrophobicContact CG1-CB 4.04Å; S535-F1032 WeakPolarHBondContact OG-CE2 3.2Å; L937-F1032 HydrophobicContact CB-CE2 3.66Å; L937-F1032 HydrophobicContact CB-CZ 3.79Å; L937-F1032 HydrophobicContact CD1-CE2 4.19Å; F941-F1032 HydrophobicContact CD2-CD2 4.45Å; F941-F1032 HydrophobicContact CD2-CG 4.48Å; F941-F1032 HydrophobicContact CE2-CB 4.08Å; F941-F1032 HydrophobicContact CE2-CD1 4.17Å; F941-F1032 AromaticContact CE2-CD2 3.54Å; F941-F1032 HydrophobicContact CE2-CD2 3.54Å; F941-F1032 AromaticContact CE2-CE2 3.94Å; F941-F1032 HydrophobicContact CE2-CE2 3.94Å; F941-F1032 AromaticContact CE2-CG 3.67Å; F941-F1032 HydrophobicContact CE2-CG 3.67Å; F941-F1032 HydrophobicContact CE2-CZ 4.43Å; F941-F1032 HydrophobicContact CZ-CB 3.89Å; F941-F1032 HydrophobicContact CZ-CD2 4.15Å; F941-F1032 HydrophobicContact CZ-CG 4.01Å; Y1028-F1032 VanDerWaalsContact O-CB 3.28Å; Y1028-F1032 WeakPolarHBondContact O-CB 3.46Å; Y1028-F1032 PolarHBondContact O-N 2.94Å; I1029-F1032 PolarHBondContact O-N 2.9Å; F1032-T1034 PolarHBondContact O-N 3.23Å; F1032-L1035 PolarHBondContact O-N 3.41Å; F1032-W1036 HydrophobicContact CE1-CE3 4.13Å; F1032-W1036 WeakPolarHBondContact O-CB 3.32Å; F1032-W1036 PolarHBondContact O-N 3.38Å
1033S94.6Very high92.7Very high61 Ų6165.2 Ų65.243%0.42732%0.323SS..Hα-helixtrans-63-39.9-178.8-61.60000112.6I1029 I1030 L1037I1029-S1033 WeakPolarHBondContact O-CB 3.34Å; I1029-S1033 PolarHBondContact O-N 3.1Å; I1029-S1033 PolarHBondContact O-OG 3.29Å; I1029-S1033 VanDerWaalsContact O-OG 3.11Å; I1030-S1033 PolarHBondContact O-N 2.94Å; S1033-L1037 VanDerWaalsContact O-CB 3.29Å; S1033-L1037 WeakPolarHBondContact O-CB 3.44Å; S1033-L1037 PolarHBondContact O-N 3.39Å
1034T94.4Very high92.8Very high75 Ų7564.6 Ų64.646%0.4633%0.326SS..Hα-helixtrans-68.4-44.7178.350.90000112.2I1030 H1031 F1032 F1038I1030-T1034 HydrophobicContact CG2-CG2 4.2Å; I1030-T1034 WeakPolarHBondContact O-CB 3.25Å; I1030-T1034 VanDerWaalsContact O-CG2 3.23Å; I1030-T1034 WeakPolarHBondContact O-CG2 3.47Å; I1030-T1034 PolarHBondContact O-N 2.88Å; I1030-T1034 PolarHBondContact O-OG1 3.36Å; H1031-T1034 WeakPolarHBondContact CA-OG1 3.33Å; H1031-T1034 PolarHBondContact O-OG1 3.14Å; F1032-T1034 PolarHBondContact O-N 3.23Å; T1034-F1038 VanDerWaalsContact O-CB 3.23Å; T1034-F1038 WeakPolarHBondContact O-CB 3.48Å; T1034-F1038 PolarHBondContact O-N 2.84Å
1035L92.6Very high92.8Very high29 Ų2967.4 Ų67.415%0.15234%0.34CS..Hα-helixtrans-62.6-42.7175.4-76.8174.6000112E530 L531 V534 H1031 F1032 F1038 M1039E530-L1035 HydrophobicContact CB-CD1 4.29Å; L531-L1035 HydrophobicContact CD1-CB 4.13Å; V534-L1035 HydrophobicContact CG2-CD1 4.19Å; H1031-L1035 WeakPolarHBondContact O-CB 3.44Å; H1031-L1035 WeakPolarHBondContact O-CG 3.49Å; H1031-L1035 PolarHBondContact O-N 3.41Å; F1032-L1035 PolarHBondContact O-N 3.41Å; L1035-F1038 PolarHBondContact O-N 3.2Å; L1035-M1039 WeakPolarHBondContact O-CB 3.44Å; L1035-M1039 VanDerWaalsContact O-CG 3.29Å; L1035-M1039 WeakPolarHBondContact O-CG 3.3Å; L1035-M1039 PolarHBondContact O-N 3.41Å
1036W96.6Very high92.8Very high56 Ų5662.5 Ų62.521%0.21232%0.319CS..Hα-helixtrans-67-43.3179.6-172.330.8000112.3L531 I930 F1032 M1039 I1040L531-W1036 HydrophobicContact CD1-CB 3.96Å; L531-W1036 HydrophobicContact CD2-CB 4.45Å; L531-W1036 HydrophobicContact CD2-CG 4.45Å; I930-W1036 PolarHBondContact O-NE1 2.93Å; F1032-W1036 HydrophobicContact CE1-CE3 4.13Å; F1032-W1036 WeakPolarHBondContact O-CB 3.32Å; F1032-W1036 PolarHBondContact O-N 3.38Å; W1036-M1039 WeakPolarHBondContact O-CB 3.45Å; W1036-M1039 PolarHBondContact O-N 2.88Å; W1036-I1040 WeakPolarHBondContact O-CG1 3.39Å; W1036-I1040 PolarHBondContact O-N 3.36Å
1037L96.3Very high92.7Very high101 Ų10159.1 Ų59.153%0.52930%0.296SS..Hα-helixtrans-63.5-43.4175-178.463000111.5S1033 M1039 I1040 I1041S1033-L1037 VanDerWaalsContact O-CB 3.29Å; S1033-L1037 WeakPolarHBondContact O-CB 3.44Å; S1033-L1037 PolarHBondContact O-N 3.39Å; L1037-M1039 VanDerWaalsContact C-N 3.28Å; L1037-M1039 PolarHBondContact O-N 3.32Å; L1037-I1040 PolarHBondContact O-N 3.36Å; L1037-I1040 VanDerWaalsContact O-N 3.17Å; L1037-I1041 HydrophobicContact CD1-CD1 4.37Å; L1037-I1041 HydrophobicContact CG-CD1 4Å; L1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; L1037-I1041 PolarHBondContact O-N 2.86Å
1038F93.6Very high92.6Very high98 Ų9856.4 Ų56.443%0.4328%0.282SS..Hα-helixtrans-58.6-42.1175.8178.4-112.5000111.7L527 T1034 L1035 I1040 I1041 L1042L527-F1038 HydrophobicContact CD1-CD1 4.33Å; L527-F1038 HydrophobicContact CD1-CE1 4.09Å; T1034-F1038 VanDerWaalsContact O-CB 3.23Å; T1034-F1038 WeakPolarHBondContact O-CB 3.48Å; T1034-F1038 PolarHBondContact O-N 2.84Å; L1035-F1038 PolarHBondContact O-N 3.2Å; F1038-I1040 PolarHBondContact O-N 3.31Å; F1038-I1041 PolarHBondContact O-N 3.01Å; F1038-L1042 HydrophobicContact CD1-CD1 3.88Å; F1038-L1042 HydrophobicContact CD1-CG 4.41Å; F1038-L1042 HydrophobicContact CD2-CG 4.47Å; F1038-L1042 HydrophobicContact CE1-CD1 3.34Å; F1038-L1042 HydrophobicContact CE1-CG 4.06Å; F1038-L1042 HydrophobicContact CE2-CD1 4.25Å; F1038-L1042 HydrophobicContact CE2-CD2 4.29Å; F1038-L1042 HydrophobicContact CE2-CG 4.1Å; F1038-L1042 HydrophobicContact CZ-CD1 3.55Å; F1038-L1042 HydrophobicContact CZ-CD2 4.12Å; F1038-L1042 HydrophobicContact CZ-CG 3.89Å; F1038-L1042 WeakPolarHBondContact O-CB 3.26Å; F1038-L1042 WeakPolarHBondContact O-CG 3.33Å; F1038-L1042 PolarHBondContact O-N 3.04Å
1039M93.7Very high92.4Very high11 Ų1155 Ų555%0.05428%0.278CS..Hα-helixtrans-60.5-42.9174.3-83.2-71.3-82.400113.5L524 L527 I930 L1035 W1036 L1037 C1043L524-M1039 HydrophobicContact CB-CE 3.85Å; L524-M1039 HydrophobicContact CB-SD 4.5Å; L524-M1039 HydrophobicContact CD2-CE 3.68Å; L524-M1039 HydrophobicContact CD2-SD 3.46Å; L524-M1039 WeakPolarHBondContact CD2-SD 3.49Å; L524-M1039 HydrophobicContact CG-CE 4.38Å; L524-M1039 WeakPolarHBondContact O-CE 3.36Å; L527-M1039 HydrophobicContact CB-CE 3.87Å; L527-M1039 HydrophobicContact CB-CG 3.82Å; L527-M1039 HydrophobicContact CB-SD 3.18Å; L527-M1039 WeakPolarHBondContact CB-SD 3.48Å; L527-M1039 HydrophobicContact CD1-CG 4.2Å; L527-M1039 HydrophobicContact CD1-SD 3.31Å; L527-M1039 WeakPolarHBondContact CD1-SD 3.36Å; L527-M1039 HydrophobicContact CG-SD 3.86Å; I930-M1039 HydrophobicContact CD1-CE 4.12Å; I930-M1039 HydrophobicContact CG1-CE 4.12Å; I930-M1039 HydrophobicContact CG2-CB 4.01Å; L1035-M1039 WeakPolarHBondContact O-CB 3.44Å; L1035-M1039 VanDerWaalsContact O-CG 3.29Å; L1035-M1039 WeakPolarHBondContact O-CG 3.3Å; L1035-M1039 PolarHBondContact O-N 3.41Å; W1036-M1039 WeakPolarHBondContact O-CB 3.45Å; W1036-M1039 PolarHBondContact O-N 2.88Å; L1037-M1039 VanDerWaalsContact C-N 3.28Å; L1037-M1039 PolarHBondContact O-N 3.32Å; M1039-C1043 WeakPolarHBondContact O-CB 3.43Å; M1039-C1043 PolarHBondContact O-N 2.96Å
1040I94.5Very high92.2Very high37 Ų3752.3 Ų52.319%0.1926%0.264CS..Hα-helixtrans-63.4-46.3175.7-68.8166.9000110.3L927 I930 V931 W1036 L1037 F1038 L1042 C1043 L1044L927-I1040 HydrophobicContact CD1-CG2 4.09Å; I930-I1040 HydrophobicContact CG2-CG1 4.11Å; V931-I1040 HydrophobicContact CG2-CD1 4.34Å; V931-I1040 HydrophobicContact CG2-CG1 4.41Å; W1036-I1040 WeakPolarHBondContact O-CG1 3.39Å; W1036-I1040 PolarHBondContact O-N 3.36Å; L1037-I1040 PolarHBondContact O-N 3.36Å; L1037-I1040 VanDerWaalsContact O-N 3.17Å; F1038-I1040 PolarHBondContact O-N 3.31Å; I1040-L1042 PolarHBondContact O-N 3.47Å; I1040-C1043 WeakPolarHBondContact O-CB 3.31Å; I1040-C1043 PolarHBondContact O-N 2.86Å; I1040-L1044 HydrophobicContact CG2-CD1 4.04Å; I1040-L1044 HydrophobicContact CG2-CG 4.41Å; I1040-L1044 WeakPolarHBondContact O-CG 3.47Å; I1040-L1044 PolarHBondContact O-N 3.39Å
1041I94.2Very high92Very high80 Ų8048.8 Ų48.841%0.4125%0.245SC..Hα-helixtrans-60.8-47.4178.3-67.4167.4000110.9L1037 F1038 C1043 L1044 L1045L1037-I1041 HydrophobicContact CD1-CD1 4.37Å; L1037-I1041 HydrophobicContact CG-CD1 4Å; L1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; L1037-I1041 PolarHBondContact O-N 2.86Å; F1038-I1041 PolarHBondContact O-N 3.01Å; I1041-C1043 VanDerWaalsContact C-N 3.28Å; I1041-C1043 PolarHBondContact O-N 3.33Å; I1041-L1044 PolarHBondContact O-N 3.3Å; I1041-L1045 HydrophobicContact CG2-CD1 3.87Å; I1041-L1045 WeakPolarHBondContact O-CB 3.49Å; I1041-L1045 WeakPolarHBondContact O-CG 3.47Å; I1041-L1045 PolarHBondContact O-N 3.37Å
1042L91.5Very high91.8Very high21 Ų2148 Ų4811%0.1124%0.243CC..Hα-helixtrans-59.4-39.1175.7-76.5-177.6000112.2L527 F1038 I1040 L1045 S1046 I1049L527-L1042 HydrophobicContact CD1-CD1 3.69Å; F1038-L1042 HydrophobicContact CD1-CD1 3.88Å; F1038-L1042 HydrophobicContact CD1-CG 4.41Å; F1038-L1042 HydrophobicContact CD2-CG 4.47Å; F1038-L1042 HydrophobicContact CE1-CD1 3.34Å; F1038-L1042 HydrophobicContact CE1-CG 4.06Å; F1038-L1042 HydrophobicContact CE2-CD1 4.25Å; F1038-L1042 HydrophobicContact CE2-CD2 4.29Å; F1038-L1042 HydrophobicContact CE2-CG 4.1Å; F1038-L1042 HydrophobicContact CZ-CD1 3.55Å; F1038-L1042 HydrophobicContact CZ-CD2 4.12Å; F1038-L1042 HydrophobicContact CZ-CG 3.89Å; F1038-L1042 WeakPolarHBondContact O-CB 3.26Å; F1038-L1042 WeakPolarHBondContact O-CG 3.33Å; F1038-L1042 PolarHBondContact O-N 3.04Å; I1040-L1042 PolarHBondContact O-N 3.47Å; L1042-L1045 CarbonylContact O-C 3.53Å; L1042-L1045 PolarHBondContact O-N 3.22Å; L1042-S1046 WeakPolarHBondContact O-CA 3.41Å; L1042-S1046 WeakPolarHBondContact O-CB 3.37Å; L1042-S1046 PolarHBondContact O-N 3.4Å; L1042-I1049 HydrophobicContact CD2-CD1 4.01Å
1043C92.5Very high91.5Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-65.9-45176.9-172.90000111.9L927 I930 M1039 I1040 I1041 L1045 S1046L927-C1043 PolarHBondContact N-SG 2.87Å; I930-C1043 HydrophobicContact CD1-CB 3.69Å; M1039-C1043 WeakPolarHBondContact O-CB 3.43Å; M1039-C1043 PolarHBondContact O-N 2.96Å; I1040-C1043 WeakPolarHBondContact O-CB 3.31Å; I1040-C1043 PolarHBondContact O-N 2.86Å; I1041-C1043 VanDerWaalsContact C-N 3.28Å; I1041-C1043 PolarHBondContact O-N 3.33Å; C1043-L1045 VanDerWaalsContact C-N 3.28Å; C1043-L1045 PolarHBondContact O-N 3.28Å; C1043-S1046 VanDerWaalsContact O-CB 3.28Å; C1043-S1046 WeakPolarHBondContact O-CB 3.31Å; C1043-S1046 PolarHBondContact O-N 3.3Å; C1043-S1046 VanDerWaalsContact O-N 3.16Å; C1043-S1046 PolarHBondContact O-OG 2.84Å
1044L91.4Very high91.2Very high88 Ų8846.5 Ų46.546%0.46123%0.228SC..Hα-helixtrans-65.2-31.2177.9-69.3175.2000112.7Y915 L927 I1040 I1041Y915-L1044 PolarHBondContact OH-O 2.77Å; L927-L1044 HydrophobicContact CD1-CD2 4.42Å; L927-L1044 HydrophobicContact CD2-CD2 4.07Å; I1040-L1044 HydrophobicContact CG2-CD1 4.04Å; I1040-L1044 HydrophobicContact CG2-CG 4.41Å; I1040-L1044 WeakPolarHBondContact O-CG 3.47Å; I1040-L1044 PolarHBondContact O-N 3.39Å; I1041-L1044 PolarHBondContact O-N 3.3Å
1045L90.3Very high90.8Very high80 Ų8046.6 Ų46.642%0.41922%0.222SC..THydrogen-bonded Turntrans-91.4-2.2176.2-63.6177.4000113.3I1041 L1042 C1043 G1047 Y1048 I1049I1041-L1045 HydrophobicContact CG2-CD1 3.87Å; I1041-L1045 WeakPolarHBondContact O-CB 3.49Å; I1041-L1045 WeakPolarHBondContact O-CG 3.47Å; I1041-L1045 PolarHBondContact O-N 3.37Å; L1042-L1045 CarbonylContact O-C 3.53Å; L1042-L1045 PolarHBondContact O-N 3.22Å; C1043-L1045 VanDerWaalsContact C-N 3.28Å; C1043-L1045 PolarHBondContact O-N 3.28Å; L1045-G1047 VanDerWaalsContact C-N 3.27Å; L1045-G1047 PolarHBondContact O-N 3.38Å; L1045-G1047 VanDerWaalsContact O-N 3.15Å; L1045-Y1048 HydrophobicContact CD2-CD2 4.46Å; L1045-Y1048 PolarHBondContact O-N 2.85Å; L1045-Y1048 VanDerWaalsContact O-N 3.08Å; L1045-I1049 HydrophobicContact CB-CD1 3.62Å; L1045-I1049 HydrophobicContact CB-CG1 4.11Å; L1045-I1049 VanDerWaalsContact O-CG1 3.31Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.27Å; L1045-I1049 PolarHBondContact O-N 3.45Å
1046S90Very high90.6Very high4 Ų445.8 Ų45.83%0.02822%0.218CC..Hα-helixtrans-60.3-31.4-169.8640000113.9V923 L1042 C1043 L1050V923-S1046 WeakPolarHBondContact CG2-OG 3.48Å; L1042-S1046 WeakPolarHBondContact O-CA 3.41Å; L1042-S1046 WeakPolarHBondContact O-CB 3.37Å; L1042-S1046 PolarHBondContact O-N 3.4Å; C1043-S1046 VanDerWaalsContact O-CB 3.28Å; C1043-S1046 WeakPolarHBondContact O-CB 3.31Å; C1043-S1046 PolarHBondContact O-N 3.3Å; C1043-S1046 VanDerWaalsContact O-N 3.16Å; C1043-S1046 PolarHBondContact O-OG 2.84Å; S1046-L1050 VanDerWaalsContact O-CB 3.26Å; S1046-L1050 WeakPolarHBondContact O-CB 3.44Å; S1046-L1050 WeakPolarHBondContact O-CD1 3.33Å; S1046-L1050 WeakPolarHBondContact O-CG 3.22Å; S1046-L1050 PolarHBondContact O-N 2.9Å
1047G86.1Confident90.2Very high3 Ų343.1 Ų43.13%0.03121%0.208CC..Hα-helixtrans-64.9-47.917500000112.2Y915 L1045 L1050 R1051Y915-G1047 VanDerWaalsContact CE1-CA 3.4Å; Y915-G1047 PolarHBondContact OH-N 3.42Å; Y915-G1047 VanDerWaalsContact OH-N 3.09Å; L1045-G1047 VanDerWaalsContact C-N 3.27Å; L1045-G1047 PolarHBondContact O-N 3.38Å; L1045-G1047 VanDerWaalsContact O-N 3.15Å; G1047-L1050 PolarHBondContact O-N 3.24Å; G1047-R1051 WeakPolarHBondContact O-CG 3.43Å; G1047-R1051 PolarHBondContact O-N 3.23Å
1048Y86.9Confident89.6Confident108 Ų10838.6 Ų38.642%0.42418%0.184SC..Hα-helixtrans-64-44.5177.1-65.7-60.7000112.1Q913 Y915 L1045 L1050 R1051 L1052Q913-Y1048 WeakPolarHBondContact O-CE1 3.46Å; Q913-Y1048 PolarHBondContact O-OH 3.39Å; Y915-Y1048 HydrophobicContact CD2-CE2 4.04Å; Y915-Y1048 AromaticContact CE2-CD2 3.79Å; Y915-Y1048 HydrophobicContact CE2-CD2 3.79Å; Y915-Y1048 AromaticContact CE2-CE2 3.31Å; Y915-Y1048 HydrophobicContact CE2-CE2 3.31Å; Y915-Y1048 AromaticContact CE2-CZ 3.83Å; L1045-Y1048 HydrophobicContact CD2-CD2 4.46Å; L1045-Y1048 PolarHBondContact O-N 2.85Å; L1045-Y1048 VanDerWaalsContact O-N 3.08Å; Y1048-L1050 VanDerWaalsContact C-N 3.33Å; Y1048-L1050 PolarHBondContact O-N 2.83Å; Y1048-R1051 PolarHBondContact O-N 3.02Å; Y1048-L1052 PolarHBondContact O-N 3.14Å; Y1048-L1052 VanDerWaalsContact O-N 3.07Å
1049I88.6Confident88.9Confident31 Ų3134.7 Ų34.716%0.15917%0.167CC..Hα-helixtrans-63.9-38.5-179.6-67.4172.4000111.1P516 A519 L1042 L1045 L1052P516-I1049 HydrophobicContact CB-CG2 3.53Å; P516-I1049 VanDerWaalsContact CB-O 3.22Å; P516-I1049 WeakPolarHBondContact CB-O 3.4Å; A519-I1049 HydrophobicContact CB-CB 4.03Å; A519-I1049 HydrophobicContact CB-CD1 4.23Å; A519-I1049 HydrophobicContact CB-CG2 3.6Å; L1042-I1049 HydrophobicContact CD2-CD1 4.01Å; L1045-I1049 HydrophobicContact CB-CD1 3.62Å; L1045-I1049 HydrophobicContact CB-CG1 4.11Å; L1045-I1049 VanDerWaalsContact O-CG1 3.31Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.27Å; L1045-I1049 PolarHBondContact O-N 3.45Å; I1049-L1052 WeakPolarHBondContact O-CB 3.4Å; I1049-L1052 PolarHBondContact O-N 3.22Å
1050L87.6Confident88.4Confident22 Ų2234.8 Ų34.812%0.11517%0.167CC..Hα-helixtrans-69.7-35.6178.5-73.6168.8000113Q520 S1046 G1047 Y1048 L1052 R1053Q520-L1050 HydrophobicContact CG-CD2 3.61Å; S1046-L1050 VanDerWaalsContact O-CB 3.26Å; S1046-L1050 WeakPolarHBondContact O-CB 3.44Å; S1046-L1050 WeakPolarHBondContact O-CD1 3.33Å; S1046-L1050 WeakPolarHBondContact O-CG 3.22Å; S1046-L1050 PolarHBondContact O-N 2.9Å; G1047-L1050 PolarHBondContact O-N 3.24Å; Y1048-L1050 VanDerWaalsContact C-N 3.33Å; Y1048-L1050 PolarHBondContact O-N 2.83Å; L1050-L1052 VanDerWaalsContact C-N 3.3Å; L1050-R1053 WeakPolarHBondContact O-CB 3.39Å; L1050-R1053 PolarHBondContact O-N 3.42Å; L1050-R1053 PolarHBondContact O-NE 3.06Å
1051R88.1Confident87.9Confident26 Ų2635.4 Ų35.410%0.09817%0.167CC..Hα-helixtrans-69-29.3174-66.7179.4-173.9-176.56112.1Y877 Q912 M914 E919 G1047 Y1048 R1053 H1054 K1055Y877-R1051 HydrophobicContact CE1-CB 4.47Å; Y877-R1051 HydrophobicContact CE1-CG 4.02Å; Q912-R1051 PolarHBondContact O-NH1 3.23Å; M914-R1051 PolarHBondContact O-NH2 3.4Å; E919-R1051 IonicContact OE1-CZ 2.8Å; E919-R1051 IonicContact OE1-NE 3.22Å; E919-R1051 PolarHBondContact OE1-NE 2.99Å; E919-R1051 IonicContact OE1-NH2 3.47Å; E919-R1051 PolarHBondContact OE1-NH2 2.72Å; E919-R1051 IonicContact OE2-CZ 2.73Å; E919-R1051 IonicContact OE2-NE 2.97Å; E919-R1051 IonicContact OE2-NH2 2.72Å; E919-R1051 PolarHBondContact OE2-NH2 2.87Å; G1047-R1051 WeakPolarHBondContact O-CG 3.43Å; G1047-R1051 PolarHBondContact O-N 3.23Å; Y1048-R1051 PolarHBondContact O-N 3.02Å; R1051-R1053 PolarHBondContact O-N 2.83Å; R1051-H1054 PolarHBondContact O-N 2.85Å; R1051-K1055 PolarHBondContact O-N 3.38Å
1052L87.6Confident87.1Confident70 Ų7032.9 Ų32.937%0.36616%0.156SC..Hα-helixtrans-61-26.4176-175.2145.8000112.4P516 Y1048 I1049 L1050 H1054 K1055 L1056P516-L1052 HydrophobicContact CB-CD2 4.38Å; P516-L1052 HydrophobicContact CG-CD2 4.28Å; Y1048-L1052 PolarHBondContact O-N 3.14Å; Y1048-L1052 VanDerWaalsContact O-N 3.07Å; I1049-L1052 WeakPolarHBondContact O-CB 3.4Å; I1049-L1052 PolarHBondContact O-N 3.22Å; L1050-L1052 VanDerWaalsContact C-N 3.3Å; L1052-H1054 PolarHBondContact O-N 2.83Å; L1052-K1055 PolarHBondContact O-N 2.91Å; L1052-L1056 HydrophobicContact CD2-CD1 3.38Å; L1052-L1056 HydrophobicContact CD2-CD2 4.41Å; L1052-L1056 HydrophobicContact CD2-CG 3.64Å; L1052-L1056 HydrophobicContact CG-CG 4.39Å; L1052-L1056 WeakPolarHBondContact O-CG 3.31Å; L1052-L1056 PolarHBondContact O-N 3.32Å
1053R90.9Very high86.5Confident34 Ų3437.2 Ų37.213%0.12817%0.174CC..Hα-helixtrans-59.6-43.8174.2-61.4-176.5-62.31639.1112.8L513 P516 Y863 L1050 R1051 L1056 L1057L513-R1053 HydrophobicContact CD2-CB 3.82Å; L513-R1053 HydrophobicContact CD2-CG 3.94Å; P516-R1053 HydrophobicContact CB-CG 3.6Å; P516-R1053 HydrophobicContact CG-CG 3.6Å; Y863-R1053 HydrophobicContact CD1-CB 4.45Å; Y863-R1053 HydrophobicContact CE1-CB 3.63Å; L1050-R1053 WeakPolarHBondContact O-CB 3.39Å; L1050-R1053 PolarHBondContact O-N 3.42Å; L1050-R1053 PolarHBondContact O-NE 3.06Å; R1051-R1053 PolarHBondContact O-N 2.83Å; R1053-L1056 PolarHBondContact O-N 2.86Å; R1053-L1057 PolarHBondContact O-N 3.35Å
1054H88.5Confident86.2Confident2 Ų239.4 Ų39.41%0.00918%0.182CC..Hα-helixtrans-62.3-47.2177.6176.871.5000110.5Y867 Y877 R1051 L1052 L1056 L1057 N1058Y867-H1054 AromaticContact CE2-ND1 3.93Å; Y877-H1054 HydrophobicContact CD2-CB 4.09Å; Y877-H1054 AromaticContact CD2-CD2 3.43Å; Y877-H1054 VanDerWaalsContact CD2-CD2 3.43Å; Y877-H1054 WeakPolarHBondContact CD2-CD2 3.39Å; Y877-H1054 AromaticContact CD2-CE1 3.82Å; Y877-H1054 AromaticContact CD2-CG 3.47Å; Y877-H1054 VanDerWaalsContact CD2-CG 3.47Å; Y877-H1054 AromaticContact CD2-ND1 3.71Å; Y877-H1054 AromaticContact CD2-NE2 3.64Å; Y877-H1054 HydrophobicContact CE2-CB 3.81Å; Y877-H1054 AromaticContact CE2-CG 3.7Å; Y877-H1054 AromaticContact CG-CD2 3.73Å; Y877-H1054 AromaticContact CG-NE2 3.96Å; R1051-H1054 PolarHBondContact O-N 2.85Å; L1052-H1054 PolarHBondContact O-N 2.83Å; H1054-L1056 PolarHBondContact O-N 2.94Å; H1054-L1057 PolarHBondContact O-N 3.03Å; H1054-N1058 PolarHBondContact CD2-ND2 3.44Å; H1054-N1058 PolarHBondContact CE1-OD1 3.41Å; H1054-N1058 PolarHBondContact NE2-ND2 3.3Å; H1054-N1058 VanDerWaalsContact O-CG 3.26Å; H1054-N1058 PolarHBondContact O-N 3.32Å; H1054-N1058 PolarHBondContact O-OD1 3.12Å
1055K85.9Confident85.9Confident78 Ų7835.8 Ų35.834%0.33916%0.164SC..Hα-helixtrans-62.3-42.5179-63.1-171.5174.7-166.10112.8F393 R1051 L1052 N1058 F1059F393-K1055 HydrophobicContact CB-CD 4.43Å; F393-K1055 HydrophobicContact CD1-CB 4.23Å; F393-K1055 HydrophobicContact CD2-CD 4.16Å; F393-K1055 HydrophobicContact CG-CB 4.21Å; F393-K1055 HydrophobicContact CG-CD 4.35Å; R1051-K1055 PolarHBondContact O-N 3.38Å; L1052-K1055 PolarHBondContact O-N 2.91Å; K1055-N1058 PolarHBondContact O-N 3.23Å; K1055-F1059 PolarHBondContact O-N 3.39Å
1056L87Confident85.7Confident11 Ų1137.2 Ų37.26%0.05817%0.167CC..Hα-helixtrans-60.5-45.1174.2-75.6179.7000111.5L512 L513 P516 L1052 R1053 H1054 F1059 F1060L512-L1056 HydrophobicContact CB-CD1 4.32Å; L513-L1056 HydrophobicContact CD2-CB 4.4Å; L513-L1056 HydrophobicContact CD2-CD1 4.2Å; P516-L1056 HydrophobicContact CG-CD1 4.41Å; L1052-L1056 HydrophobicContact CD2-CD1 3.38Å; L1052-L1056 HydrophobicContact CD2-CD2 4.41Å; L1052-L1056 HydrophobicContact CD2-CG 3.64Å; L1052-L1056 HydrophobicContact CG-CG 4.39Å; L1052-L1056 WeakPolarHBondContact O-CG 3.31Å; L1052-L1056 PolarHBondContact O-N 3.32Å; R1053-L1056 PolarHBondContact O-N 2.86Å; H1054-L1056 PolarHBondContact O-N 2.94Å; L1056-F1059 WeakPolarHBondContact O-CB 3.45Å; L1056-F1059 PolarHBondContact O-N 3.32Å; L1056-F1060 WeakPolarHBondContact O-CD2 2.78Å; L1056-F1060 PolarHBondContact O-N 3.2Å
1057L88.4Confident85.6Confident0 Ų042.9 Ų42.90%019%0.188CC..Hα-helixtrans-68.1-36.1178.9-75.8176.9000113.1L513 Y863 I864 Y867 R1053 H1054 F1059 F1060 Y1061L513-L1057 HydrophobicContact CD1-CD1 4.43Å; L513-L1057 HydrophobicContact CD1-CD2 3.81Å; L513-L1057 HydrophobicContact CD1-CG 4.08Å; Y863-L1057 HydrophobicContact CD1-CD1 3.59Å; Y863-L1057 HydrophobicContact CE1-CD1 3.3Å; Y863-L1057 HydrophobicContact CE1-CG 4.43Å; I864-L1057 HydrophobicContact CG1-CD2 4.17Å; Y867-L1057 HydrophobicContact CD1-CB 4.12Å; Y867-L1057 HydrophobicContact CD1-CD1 4.04Å; Y867-L1057 HydrophobicContact CD2-CB 3.93Å; Y867-L1057 HydrophobicContact CD2-CD1 3.46Å; Y867-L1057 VanDerWaalsContact CD2-CD1 3.46Å; Y867-L1057 HydrophobicContact CD2-CG 4.33Å; Y867-L1057 HydrophobicContact CE1-CB 3.93Å; Y867-L1057 HydrophobicContact CE2-CB 3.71Å; Y867-L1057 HydrophobicContact CE2-CD1 4.13Å; Y867-L1057 HydrophobicContact CG-CB 4.17Å; Y867-L1057 HydrophobicContact CG-CD1 3.45Å; Y867-L1057 VanDerWaalsContact CG-CD1 3.45Å; Y867-L1057 HydrophobicContact CG-CG 4.34Å; R1053-L1057 PolarHBondContact O-N 3.35Å; H1054-L1057 PolarHBondContact O-N 3.03Å; L1057-F1059 VanDerWaalsContact C-N 3.26Å; L1057-F1059 PolarHBondContact O-N 3.44Å; L1057-F1060 PolarHBondContact O-N 3.11Å; L1057-Y1061 HydrophobicContact CD2-CD2 3.89Å; L1057-Y1061 HydrophobicContact CD2-CE2 3.92Å; L1057-Y1061 PolarHBondContact O-N 3.42Å
1058N83.5Confident85.9Confident6 Ų642.8 Ų42.83%0.03219%0.187CC..Hα-helixtrans-59.6-41.1172.1-68.4-6000110.8Y867 E879 H1054 K1055 P1062 Y1069Y867-N1058 PolarHBondContact OH-OD1 3.19Å; E879-N1058 PolarHBondContact OE2-ND2 3.16Å; H1054-N1058 PolarHBondContact CD2-ND2 3.44Å; H1054-N1058 PolarHBondContact CE1-OD1 3.41Å; H1054-N1058 PolarHBondContact NE2-ND2 3.3Å; H1054-N1058 VanDerWaalsContact O-CG 3.26Å; H1054-N1058 PolarHBondContact O-N 3.32Å; H1054-N1058 PolarHBondContact O-OD1 3.12Å; K1055-N1058 PolarHBondContact O-N 3.23Å; N1058-P1062 WeakPolarHBondContact O-CA 3.27Å; N1058-Y1069 PolarHBondContact ND2-OH 2.9Å
1059F80.7Confident86Confident17 Ų1737.9 Ų37.98%0.07517%0.168CC..Hα-helixtrans-64.8-45.2177.3-178.4-89000112.9R394 L397 E405 I408 K1055 L1056 L1057R394-F1059 HydrophobicContact CG-CD2 4.48Å; R394-F1059 HydrophobicContact CG-CE2 4.15Å; L397-F1059 HydrophobicContact CD1-CE2 4.41Å; E405-F1059 HydrophobicContact CG-CE2 4.22Å; E405-F1059 HydrophobicContact CG-CZ 4.37Å; I408-F1059 HydrophobicContact CB-CE1 4.15Å; I408-F1059 HydrophobicContact CD1-CD1 3.88Å; I408-F1059 HydrophobicContact CD1-CD2 4.48Å; I408-F1059 HydrophobicContact CD1-CE1 3.52Å; I408-F1059 HydrophobicContact CD1-CE2 4.14Å; I408-F1059 HydrophobicContact CD1-CG 4.36Å; I408-F1059 HydrophobicContact CD1-CZ 3.66Å; I408-F1059 HydrophobicContact CG1-CD1 4.33Å; I408-F1059 HydrophobicContact CG1-CE1 3.51Å; I408-F1059 HydrophobicContact CG1-CE2 4.48Å; I408-F1059 HydrophobicContact CG1-CZ 3.59Å; I408-F1059 WeakPolarHBondContact O-CE1 3.39Å; K1055-F1059 PolarHBondContact O-N 3.39Å; L1056-F1059 WeakPolarHBondContact O-CB 3.45Å; L1056-F1059 PolarHBondContact O-N 3.32Å; L1057-F1059 VanDerWaalsContact C-N 3.26Å; L1057-F1059 PolarHBondContact O-N 3.44Å
1060F81.4Confident86.1Confident13 Ų1340.3 Ų40.36%0.05718%0.181CC..Hα-helixtrans-76.2-30.8-179.7-85.1-87.2000113.7A410 R508 C509 L512 L1056 L1057 P1062A410-F1060 HydrophobicContact CB-CD1 4.14Å; A410-F1060 HydrophobicContact CB-CE1 4.38Å; R508-F1060 HydrophobicContact CB-CE1 4.46Å; C509-F1060 HydrophobicContact CB-CB 4.42Å; C509-F1060 HydrophobicContact CB-CD1 3.79Å; C509-F1060 HydrophobicContact CB-CD2 4.09Å; C509-F1060 HydrophobicContact CB-CE1 4.04Å; C509-F1060 HydrophobicContact CB-CE2 4.34Å; C509-F1060 HydrophobicContact CB-CG 3.83Å; C509-F1060 HydrophobicContact CB-CZ 4.31Å; L512-F1060 HydrophobicContact CD1-CE2 3.62Å; L512-F1060 HydrophobicContact CD1-CZ 3.62Å; L1056-F1060 WeakPolarHBondContact O-CD2 2.78Å; L1056-F1060 PolarHBondContact O-N 3.2Å; L1057-F1060 PolarHBondContact O-N 3.11Å; F1060-P1062 VanDerWaalsContact C-CD 3.45Å; F1060-P1062 WeakPolarHBondContact O-CD 3.41Å
1061Y84.2Confident86.3Confident50 Ų5041.9 Ų41.920%0.19619%0.187CC..  trans-127.762.6-173.9-58.9-73.8000112.7I864 L868 L1057 K1063 R1064 S1065I864-Y1061 HydrophobicContact CG2-CE2 4.28Å; L868-Y1061 HydrophobicContact CD1-CE1 4.47Å; L868-Y1061 HydrophobicContact CD2-CD1 3.88Å; L868-Y1061 HydrophobicContact CD2-CD2 4.09Å; L868-Y1061 HydrophobicContact CD2-CE1 4.22Å; L868-Y1061 HydrophobicContact CD2-CE2 4.4Å; L868-Y1061 HydrophobicContact CD2-CG 3.8Å; L1057-Y1061 HydrophobicContact CD2-CD2 3.89Å; L1057-Y1061 HydrophobicContact CD2-CE2 3.92Å; L1057-Y1061 PolarHBondContact O-N 3.42Å; Y1061-K1063 VanDerWaalsContact C-N 3.34Å; Y1061-K1063 PolarHBondContact O-N 2.9Å; Y1061-R1064 PolarHBondContact O-N 3.45Å; Y1061-R1064 VanDerWaalsContact O-N 3.09Å; Y1061-S1065 PolarHBondContact O-N 3.22Å
1062P77.4Confident86.4Confident26 Ų2641.1 Ų41.117%0.16919%0.185CC..Hα-helixtrans-62.4-35.4-173.223.2-34.1000113.5N413 N1058 F1060 R1064 S1065 K1066N413-P1062 WeakPolarHBondContact ND2-CG 3.26Å; N1058-P1062 WeakPolarHBondContact O-CA 3.27Å; F1060-P1062 VanDerWaalsContact C-CD 3.45Å; F1060-P1062 WeakPolarHBondContact O-CD 3.41Å; P1062-R1064 VanDerWaalsContact C-N 3.34Å; P1062-R1064 PolarHBondContact O-N 2.87Å; P1062-S1065 WeakPolarHBondContact O-CB 3.33Å; P1062-S1065 PolarHBondContact O-N 3.15Å; P1062-K1066 PolarHBondContact O-N 2.93Å
1063K79.3Confident86.6Confident112 Ų11237.8 Ų37.849%0.48717%0.168SC..Hα-helixtrans-61.5-42175.6-69.3-179.4179172.80112.2E416 Y1061 Y1067E416-K1063 WeakPolarHBondContact OE1-CE 3.48Å; Y1061-K1063 VanDerWaalsContact C-N 3.34Å; Y1061-K1063 PolarHBondContact O-N 2.9Å; K1063-Y1067 PolarHBondContact O-N 3.45Å
1064R86.9Confident86.7Confident47 Ų4739.4 Ų39.418%0.17718%0.179CC..Hα-helixtrans-69.7-40.1177.4-178.958.8177.4-177.8-5.3110.8Y867 L868 L869 P871 Y1061 P1062 Y1067 R1068Y867-R1064 HydrophobicContact CD1-CG 4.3Å; Y867-R1064 HydrophobicContact CE1-CB 4.41Å; Y867-R1064 HydrophobicContact CE1-CG 3.91Å; Y867-R1064 PolarHBondContact O-NE 3.42Å; L868-R1064 HydrophobicContact CD2-CB 4.4Å; L868-R1064 HydrophobicContact CD2-CG 4.23Å; L868-R1064 PolarHBondContact O-NE 2.8Å; L868-R1064 VanDerWaalsContact O-NE 3.09Å; L868-R1064 PolarHBondContact O-NH2 3.47Å; L868-R1064 VanDerWaalsContact O-NH2 3.08Å; L869-R1064 PolarHBondContact O-NH2 3.42Å; P871-R1064 VanDerWaalsContact N-NH2 3.14Å; Y1061-R1064 PolarHBondContact O-N 3.45Å; Y1061-R1064 VanDerWaalsContact O-N 3.09Å; P1062-R1064 VanDerWaalsContact C-N 3.34Å; P1062-R1064 PolarHBondContact O-N 2.87Å; R1064-Y1067 PolarHBondContact O-N 3.41Å; R1064-R1068 WeakPolarHBondContact O-CG 3.26Å; R1064-R1068 PolarHBondContact O-N 2.96Å
1065S85.4Confident86.8Confident11 Ų1143.1 Ų43.18%0.07720%0.195CC..Hα-helixtrans-55.9-49.2174160.40000111.9Y1061 P1062 Y1067 R1068 Y1069Y1061-S1065 PolarHBondContact O-N 3.22Å; P1062-S1065 WeakPolarHBondContact O-CB 3.33Å; P1062-S1065 PolarHBondContact O-N 3.15Å; S1065-Y1067 PolarHBondContact O-N 2.79Å; S1065-R1068 WeakPolarHBondContact O-CB 3.41Å; S1065-R1068 PolarHBondContact O-N 3Å; S1065-R1068 VanDerWaalsContact O-N 3.08Å; S1065-Y1069 WeakPolarHBondContact O-CD2 3.39Å; S1065-Y1069 PolarHBondContact O-N 2.68Å; S1065-Y1069 WeakPolarHBondContact OG-CE2 3.33Å
1066K84.5Confident87Confident110 Ų11040.5 Ų40.548%0.47818%0.184SC..Hα-helixtrans-55-47175.2-72.9178.4-178.3174.90112.8E416 P1062 R1068 Y1069 I1070E416-K1066 IonicContact OE2-NZ 3.53Å; E416-K1066 PolarHBondContact OE2-NZ 3.34Å; P1062-K1066 PolarHBondContact O-N 2.93Å; K1066-R1068 VanDerWaalsContact C-N 3.32Å; K1066-R1068 PolarHBondContact O-N 2.76Å; K1066-Y1069 PolarHBondContact O-N 3.21Å; K1066-I1070 WeakPolarHBondContact O-CG1 3.33Å; K1066-I1070 PolarHBondContact O-N 3.04Å; K1066-I1070 VanDerWaalsContact O-N 3.16Å
1067Y89Confident87.1Confident123 Ų12340.6 Ų40.648%0.48219%0.185SC..Hα-helixtrans-60.5-41.6177.1-179.9-96.8000112.1P871 K1063 R1064 S1065 I1070 H1071P871-Y1067 HydrophobicContact CB-CD1 4.28Å; P871-Y1067 HydrophobicContact CB-CE1 3.88Å; P871-Y1067 HydrophobicContact CG-CE1 4.26Å; K1063-Y1067 PolarHBondContact O-N 3.45Å; R1064-Y1067 PolarHBondContact O-N 3.41Å; S1065-Y1067 PolarHBondContact O-N 2.79Å; Y1067-I1070 PolarHBondContact O-N 2.9Å; Y1067-H1071 WeakPolarHBondContact O-CB 3.5Å; Y1067-H1071 PolarHBondContact O-N 3.5Å
1068R91.7Very high87.2Confident2 Ų243.6 Ų43.61%0.00820%0.203CC..Hα-helixtrans-63.4-40.2178.3-73.2171.356.9120.33112.6Y867 H873 D874 N875 R1064 S1065 K1066 H1071 L1072Y867-R1068 VanDerWaalsContact CD2-CZ 3.5Å; Y867-R1068 VanDerWaalsContact CE2-NH1 3.33Å; H873-R1068 VanDerWaalsContact O-CZ 3.23Å; H873-R1068 PolarHBondContact O-NH1 3.29Å; H873-R1068 PolarHBondContact O-NH2 3.27Å; D874-R1068 VanDerWaalsContact C-NH2 3.33Å; D874-R1068 PolarHBondContact O-NH2 3.27Å; N875-R1068 PolarHBondContact ND2-O 3.49Å; R1064-R1068 WeakPolarHBondContact O-CG 3.26Å; R1064-R1068 PolarHBondContact O-N 2.96Å; S1065-R1068 WeakPolarHBondContact O-CB 3.41Å; S1065-R1068 PolarHBondContact O-N 3Å; S1065-R1068 VanDerWaalsContact O-N 3.08Å; K1066-R1068 VanDerWaalsContact C-N 3.32Å; K1066-R1068 PolarHBondContact O-N 2.76Å; R1068-H1071 PolarHBondContact O-N 2.91Å; R1068-L1072 WeakPolarHBondContact O-CB 3.43Å; R1068-L1072 PolarHBondContact O-N 2.88Å
1069Y89.2Confident87.5Confident4 Ų446.7 Ų46.72%0.01622%0.22CC..Hα-helixtrans-66.5-42175.3-64.9-61.6000112.4E879 P881 F882 N1058 S1065 K1066 H1071 L1072 Y1073E879-Y1069 HydrophobicContact CB-CE1 4.17Å; E879-Y1069 PolarHBondContact OE2-OH 2.76Å; P881-Y1069 HydrophobicContact CB-CD2 3.73Å; P881-Y1069 HydrophobicContact CB-CE2 4Å; P881-Y1069 HydrophobicContact CB-CG 4.26Å; P881-Y1069 HydrophobicContact CG-CD2 3.97Å; P881-Y1069 HydrophobicContact CG-CE2 3.69Å; F882-Y1069 HydrophobicContact CB-CD1 4.47Å; N1058-Y1069 PolarHBondContact ND2-OH 2.9Å; S1065-Y1069 WeakPolarHBondContact O-CD2 3.39Å; S1065-Y1069 PolarHBondContact O-N 2.68Å; S1065-Y1069 WeakPolarHBondContact OG-CE2 3.33Å; K1066-Y1069 PolarHBondContact O-N 3.21Å; Y1069-H1071 VanDerWaalsContact C-N 3.31Å; Y1069-H1071 PolarHBondContact O-N 3.38Å; Y1069-L1072 PolarHBondContact O-N 3.18Å; Y1069-Y1073 WeakPolarHBondContact O-CB 3.48Å; Y1069-Y1073 PolarHBondContact O-N 3.2Å
1070I90.9Very high87.7Confident83 Ų8347.3 Ų47.343%0.42622%0.221SC..Hα-helixtrans-61-44.8176.4-65.7166.9000110.2I885 K1066 Y1067 Y1073 N1074I885-I1070 HydrophobicContact CD1-CG1 3.9Å; K1066-I1070 WeakPolarHBondContact O-CG1 3.33Å; K1066-I1070 PolarHBondContact O-N 3.04Å; K1066-I1070 VanDerWaalsContact O-N 3.16Å; Y1067-I1070 PolarHBondContact O-N 2.9Å; I1070-Y1073 PolarHBondContact O-N 2.81Å; I1070-N1074 WeakPolarHBondContact O-CB 3.16Å; I1070-N1074 VanDerWaalsContact O-CG 3.29Å; I1070-N1074 PolarHBondContact O-N 3.15Å; I1070-N1074 PolarHBondContact O-ND2 3.2Å
1071H92.2Very high88Confident54 Ų5452.6 Ų52.625%0.2524%0.241CC..Hα-helixtrans-61.5-48.3176.9-178.174.6000111.9P871 D872 Y1067 R1068 Y1069 Y1073 N1074 K1075P871-H1071 HydrophobicContact CB-CB 4.34Å; D872-H1071 IonicContact OD1-CD2 3.53Å; D872-H1071 PolarHBondContact OD1-CD2 2.84Å; D872-H1071 IonicContact OD1-NE2 2.7Å; D872-H1071 PolarHBondContact OD1-NE2 3.11Å; Y1067-H1071 WeakPolarHBondContact O-CB 3.5Å; Y1067-H1071 PolarHBondContact O-N 3.5Å; R1068-H1071 PolarHBondContact O-N 2.91Å; Y1069-H1071 VanDerWaalsContact C-N 3.31Å; Y1069-H1071 PolarHBondContact O-N 3.38Å; H1071-Y1073 PolarHBondContact O-N 3.46Å; H1071-N1074 PolarHBondContact O-N 3.15Å; H1071-K1075 VanDerWaalsContact O-CB 3.28Å; H1071-K1075 WeakPolarHBondContact O-CB 3.35Å; H1071-K1075 PolarHBondContact O-N 3.06Å
1072L91.2Very high88.1Confident11 Ų1157.9 Ų57.96%0.05826%0.261CS..Hα-helixtrans-58.8-47.5176.7-179.858.8000111.6N875 F882 R1068 Y1069 K1075 L1076N875-L1072 WeakPolarHBondContact O-CD1 3.49Å; F882-L1072 HydrophobicContact CD2-CD2 4.48Å; F882-L1072 HydrophobicContact CE2-CD2 4.5Å; F882-L1072 HydrophobicContact CE2-CG 4.26Å; R1068-L1072 WeakPolarHBondContact O-CB 3.43Å; R1068-L1072 PolarHBondContact O-N 2.88Å; Y1069-L1072 PolarHBondContact O-N 3.18Å; L1072-K1075 PolarHBondContact O-N 3.49Å; L1072-L1076 HydrophobicContact CD1-CD1 4.06Å; L1072-L1076 HydrophobicContact CD1-CG 4.14Å; L1072-L1076 HydrophobicContact CG-CD1 4.08Å; L1072-L1076 VanDerWaalsContact O-CG 3.31Å; L1072-L1076 WeakPolarHBondContact O-CG 3.11Å; L1072-L1076 PolarHBondContact O-N 3.24Å
1073Y91.4Very high88.4Confident0 Ų060.4 Ų60.40%027%0.27CS..Hα-helixtrans-58.7-51.9178.3-170-69.5000110.9F882 I885 D886 R889 L897 Y1069 I1070 H1071 K1075 L1076 L1077F882-Y1073 HydrophobicContact CD1-CD2 4.29Å; F882-Y1073 HydrophobicContact CD2-CD2 4.02Å; F882-Y1073 AromaticContact CE1-CD2 3.96Å; F882-Y1073 HydrophobicContact CE1-CD2 3.96Å; F882-Y1073 HydrophobicContact CE1-CE2 4.3Å; F882-Y1073 AromaticContact CE2-CD2 3.68Å; F882-Y1073 HydrophobicContact CE2-CD2 3.68Å; F882-Y1073 HydrophobicContact CE2-CG 4.07Å; F882-Y1073 HydrophobicContact CG-CD2 4.31Å; F882-Y1073 AromaticContact CZ-CD2 3.64Å; F882-Y1073 HydrophobicContact CZ-CD2 3.64Å; F882-Y1073 HydrophobicContact CZ-CE2 4.28Å; F882-Y1073 HydrophobicContact CZ-CG 4.3Å; I885-Y1073 HydrophobicContact CB-CD2 4.14Å; I885-Y1073 HydrophobicContact CB-CE2 4.32Å; I885-Y1073 HydrophobicContact CG2-CD1 4.21Å; I885-Y1073 HydrophobicContact CG2-CD2 3.7Å; I885-Y1073 HydrophobicContact CG2-CE1 4.35Å; I885-Y1073 HydrophobicContact CG2-CE2 3.81Å; I885-Y1073 HydrophobicContact CG2-CG 3.89Å; D886-Y1073 HydrophobicContact CB-CE2 3.88Å; D886-Y1073 PolarHBondContact OD1-OH 2.69Å; R889-Y1073 WeakPolarHBondContact CD-OH 3.28Å; L897-Y1073 HydrophobicContact CB-CE2 4.3Å; L897-Y1073 HydrophobicContact CD1-CD1 3.82Å; L897-Y1073 HydrophobicContact CD1-CD2 3.9Å; L897-Y1073 HydrophobicContact CD1-CE1 3.73Å; L897-Y1073 HydrophobicContact CD1-CE2 3.85Å; L897-Y1073 HydrophobicContact CD1-CG 3.91Å; L897-Y1073 HydrophobicContact CG-CE1 4.17Å; L897-Y1073 HydrophobicContact CG-CE2 4.37Å; Y1069-Y1073 WeakPolarHBondContact O-CB 3.48Å; Y1069-Y1073 PolarHBondContact O-N 3.2Å; I1070-Y1073 PolarHBondContact O-N 2.81Å; H1071-Y1073 PolarHBondContact O-N 3.46Å; Y1073-K1075 VanDerWaalsContact C-N 3.3Å; Y1073-K1075 PolarHBondContact O-N 3.3Å; Y1073-L1076 PolarHBondContact O-N 3.16Å; Y1073-L1077 HydrophobicContact CD1-CD1 4.31Å; Y1073-L1077 HydrophobicContact CE1-CB 4.46Å; Y1073-L1077 HydrophobicContact CE1-CD1 3.76Å; Y1073-L1077 HydrophobicContact CE1-CG 4.27Å; Y1073-L1077 WeakPolarHBondContact O-CB 3.28Å; Y1073-L1077 PolarHBondContact O-N 3.44Å
1074N92Very high88.5Confident67 Ų6757.6 Ų57.636%0.35826%0.26SS..Hα-helixtrans-62.7-38.2-179-70.3-22.6000111.5R889 I1070 H1071 L1077 V1078R889-N1074 PolarHBondContact NH2-OD1 3.4Å; R889-N1074 VanDerWaalsContact NH2-OD1 3.17Å; I1070-N1074 WeakPolarHBondContact O-CB 3.16Å; I1070-N1074 VanDerWaalsContact O-CG 3.29Å; I1070-N1074 PolarHBondContact O-N 3.15Å; I1070-N1074 PolarHBondContact O-ND2 3.2Å; H1071-N1074 PolarHBondContact O-N 3.15Å; N1074-L1077 PolarHBondContact O-N 3.13Å; N1074-V1078 VanDerWaalsContact O-CG2 3.3Å; N1074-V1078 WeakPolarHBondContact O-CG2 3.4Å; N1074-V1078 PolarHBondContact O-N 2.84Å
1075K91.2Very high88.4Confident81 Ų8160 Ų6035%0.35228%0.275SS..Hα-helixtrans-61.1-46.6174.8-176.3176-175.1169.30112D872 H1071 L1072 Y1073 V1078 N1079D872-K1075 IonicContact OD1-NZ 3.38Å; D872-K1075 PolarHBondContact OD1-NZ 2.72Å; D872-K1075 IonicContact OD2-NZ 3.59Å; D872-K1075 PolarHBondContact OD2-NZ 3.08Å; H1071-K1075 VanDerWaalsContact O-CB 3.28Å; H1071-K1075 WeakPolarHBondContact O-CB 3.35Å; H1071-K1075 PolarHBondContact O-N 3.06Å; L1072-K1075 PolarHBondContact O-N 3.49Å; Y1073-K1075 VanDerWaalsContact C-N 3.3Å; Y1073-K1075 PolarHBondContact O-N 3.3Å; K1075-V1078 PolarHBondContact O-N 2.97Å; K1075-N1079 WeakPolarHBondContact O-CB 3.29Å; K1075-N1079 VanDerWaalsContact O-CG 3.24Å; K1075-N1079 PolarHBondContact O-N 3.39Å
1076L89.1Confident88.4Confident22 Ų2262.8 Ų62.812%0.11529%0.292CS..Hα-helixtrans-66.4-39.2178.1-68.7175.6000112.3F882 L897 I908 L1072 Y1073 N1079 R1080F882-L1076 HydrophobicContact CE2-CD1 3.97Å; F882-L1076 HydrophobicContact CZ-CD1 3.9Å; L897-L1076 HydrophobicContact CD1-CB 3.77Å; L897-L1076 HydrophobicContact CD2-CB 4.32Å; I908-L1076 HydrophobicContact CD1-CD1 3.5Å; I908-L1076 VanDerWaalsContact CD1-CD1 3.5Å; I908-L1076 HydrophobicContact CD1-CD2 3.61Å; I908-L1076 HydrophobicContact CD1-CG 4.2Å; I908-L1076 HydrophobicContact CG1-CD2 4.48Å; L1072-L1076 HydrophobicContact CD1-CD1 4.06Å; L1072-L1076 HydrophobicContact CD1-CG 4.14Å; L1072-L1076 HydrophobicContact CG-CD1 4.08Å; L1072-L1076 VanDerWaalsContact O-CG 3.31Å; L1072-L1076 WeakPolarHBondContact O-CG 3.11Å; L1072-L1076 PolarHBondContact O-N 3.24Å; Y1073-L1076 PolarHBondContact O-N 3.16Å; L1076-N1079 PolarHBondContact O-N 3.39Å; L1076-R1080 WeakPolarHBondContact O-CB 3.4Å; L1076-R1080 PolarHBondContact O-N 3.05Å
1077L89.8Confident88.2Confident14 Ų1458.6 Ų58.67%0.07328%0.275CS..Hα-helixtrans-60.9-47.2176-147.5-176.6000110.8E895 L897 Y1073 N1074 N1079 R1080 R1081E895-L1077 HydrophobicContact CG-CD2 4.42Å; E895-L1077 WeakPolarHBondContact OE2-CD2 3.31Å; L897-L1077 HydrophobicContact CD1-CB 4.33Å; L897-L1077 HydrophobicContact CG-CG 4.48Å; Y1073-L1077 HydrophobicContact CD1-CD1 4.31Å; Y1073-L1077 HydrophobicContact CE1-CB 4.46Å; Y1073-L1077 HydrophobicContact CE1-CD1 3.76Å; Y1073-L1077 HydrophobicContact CE1-CG 4.27Å; Y1073-L1077 WeakPolarHBondContact O-CB 3.28Å; Y1073-L1077 PolarHBondContact O-N 3.44Å; N1074-L1077 PolarHBondContact O-N 3.13Å; L1077-N1079 PolarHBondContact O-N 3.42Å; L1077-R1080 PolarHBondContact O-N 2.96Å; L1077-R1081 HydrophobicContact CD2-CG 4.1Å; L1077-R1081 VanDerWaalsContact CD2-NE 3.33Å; L1077-R1081 WeakPolarHBondContact O-CG 3.46Å; L1077-R1081 PolarHBondContact O-N 3.47Å
1078V90.8Very high87.8Confident63 Ų6361.2 Ų61.238%0.38228%0.283SS..Hα-helixtrans-61.9-43.2175.51710000111.2N1074 K1075 R1081 R1082N1074-V1078 VanDerWaalsContact O-CG2 3.3Å; N1074-V1078 WeakPolarHBondContact O-CG2 3.4Å; N1074-V1078 PolarHBondContact O-N 2.84Å; K1075-V1078 PolarHBondContact O-N 2.97Å; V1078-R1081 PolarHBondContact O-N 2.91Å; V1078-R1082 HydrophobicContact CG1-CG 4.41Å; V1078-R1082 WeakPolarHBondContact O-CG 3.49Å; V1078-R1082 PolarHBondContact O-N 2.97Å
1079N88.5Confident87.5Confident71 Ų7165.7 Ų65.738%0.3831%0.308SS..Hα-helixtrans-63.6-42178.2-74.1-12.7000112.3K1075 L1076 L1077 R1082 Q1083K1075-N1079 WeakPolarHBondContact O-CB 3.29Å; K1075-N1079 VanDerWaalsContact O-CG 3.24Å; K1075-N1079 PolarHBondContact O-N 3.39Å; L1076-N1079 PolarHBondContact O-N 3.39Å; L1077-N1079 PolarHBondContact O-N 3.42Å; N1079-R1082 PolarHBondContact O-N 2.93Å; N1079-Q1083 WeakPolarHBondContact O-CB 3.12Å; N1079-Q1083 PolarHBondContact O-N 2.88Å
1080R86.4Confident87.2Confident29 Ų2968.7 Ų68.711%0.10932%0.323CS..Hα-helixtrans-61.6-44.4175.4-175.1175.2179.6137.8-18.7111.5L897 K901 E904 L1076 L1077 Q1083 L1084L897-R1080 HydrophobicContact CD2-CB 4.35Å; L897-R1080 PolarHBondContact O-NH1 2.89Å; K901-R1080 VanDerWaalsContact CE-CZ 3.5Å; E904-R1080 WeakPolarHBondContact OE1-CB 3.32Å; E904-R1080 WeakPolarHBondContact OE1-CD 3.08Å; E904-R1080 VanDerWaalsContact OE1-CG 3.28Å; E904-R1080 WeakPolarHBondContact OE1-CG 3.31Å; E904-R1080 IonicContact OE1-NH1 3.86Å; E904-R1080 IonicContact OE2-NH1 2.77Å; E904-R1080 PolarHBondContact OE2-NH1 2.54Å; L1076-R1080 WeakPolarHBondContact O-CB 3.4Å; L1076-R1080 PolarHBondContact O-N 3.05Å; L1077-R1080 PolarHBondContact O-N 2.96Å; R1080-Q1083 PolarHBondContact O-N 3.2Å; R1080-L1084 HydrophobicContact CG-CD1 4.28Å; R1080-L1084 WeakPolarHBondContact O-CB 3.33Å; R1080-L1084 VanDerWaalsContact O-CG 3.32Å; R1080-L1084 WeakPolarHBondContact O-CG 3.45Å; R1080-L1084 PolarHBondContact O-N 2.78Å
1081R86.4Confident86.7Confident124 Ų12465.7 Ų65.747%0.46831%0.308SS..Hα-helixtrans-61-48.3175-74.5179.5179.3178.31.3111.9E895 L1077 V1078 Q1083 L1084 I1085E895-R1081 IonicContact OE2-CZ 3.17Å; E895-R1081 IonicContact OE2-NE 2.77Å; E895-R1081 PolarHBondContact OE2-NE 2.66Å; E895-R1081 IonicContact OE2-NH2 2.78Å; E895-R1081 PolarHBondContact OE2-NH2 3.13Å; L1077-R1081 HydrophobicContact CD2-CG 4.1Å; L1077-R1081 VanDerWaalsContact CD2-NE 3.33Å; L1077-R1081 WeakPolarHBondContact O-CG 3.46Å; L1077-R1081 PolarHBondContact O-N 3.47Å; V1078-R1081 PolarHBondContact O-N 2.91Å; R1081-Q1083 VanDerWaalsContact C-N 3.33Å; R1081-Q1083 PolarHBondContact O-N 2.04Å; R1081-L1084 PolarHBondContact O-N 2.9Å; R1081-I1085 WeakPolarHBondContact O-CB 3.2Å; R1081-I1085 VanDerWaalsContact O-CG1 3.24Å; R1081-I1085 WeakPolarHBondContact O-CG1 3.41Å; R1081-I1085 PolarHBondContact O-N 2.94Å
1082R87.1Confident86.1Confident162 Ų16266 Ų6661%0.61131%0.314SS*.Hα-helixtrans-57-47.7176.1-74.2175.5-178.8175.80.1111.1V1078 N1079 L1084 I1085 T1086V1078-R1082 HydrophobicContact CG1-CG 4.41Å; V1078-R1082 WeakPolarHBondContact O-CG 3.49Å; V1078-R1082 PolarHBondContact O-N 2.97Å; N1079-R1082 PolarHBondContact O-N 2.93Å; R1082-L1084 PolarHBondContact O-N 3.2Å; R1082-I1085 PolarHBondContact O-N 3.43Å; R1082-T1086 PolarHBondContact O-N 2.79Å; R1082-T1086 PolarHBondContact O-OG1 3.45Å
1083Q84.5Confident85.7Confident79 Ų7971.5 Ų71.537%0.36933%0.334SS..Hα-helixtrans-59.3-46.4178.3-167.474.22.400111.6Y903 N1079 R1080 R1081 T1086 Q1087Y903-Q1083 HydrophobicContact CE2-CB 4.44Å; Y903-Q1083 HydrophobicContact CE2-CG 3.88Å; N1079-Q1083 WeakPolarHBondContact O-CB 3.12Å; N1079-Q1083 PolarHBondContact O-N 2.88Å; R1080-Q1083 PolarHBondContact O-N 3.2Å; R1081-Q1083 VanDerWaalsContact C-N 3.33Å; R1081-Q1083 PolarHBondContact O-N 2.04Å; Q1083-T1086 PolarHBondContact O-N 2.91Å; Q1083-Q1087 WeakPolarHBondContact O-CG 3.3Å; Q1083-Q1087 PolarHBondContact O-N 3.04Å
1084L81.2Confident85.2Confident53 Ų5372.3 Ų72.328%0.27734%0.338SS..Hα-helixtrans-63.6-40.5177.5-73.3173.3000112.3R1080 R1081 R1082 Q1087 R1088 C1135R1080-L1084 HydrophobicContact CG-CD1 4.28Å; R1080-L1084 WeakPolarHBondContact O-CB 3.33Å; R1080-L1084 VanDerWaalsContact O-CG 3.32Å; R1080-L1084 WeakPolarHBondContact O-CG 3.45Å; R1080-L1084 PolarHBondContact O-N 2.78Å; R1081-L1084 PolarHBondContact O-N 2.9Å; R1082-L1084 PolarHBondContact O-N 3.2Å; L1084-Q1087 PolarHBondContact O-N 3.37Å; L1084-R1088 WeakPolarHBondContact O-CB 3.02Å; L1084-R1088 PolarHBondContact O-N 3.2Å; L1084-C1135 HydrophobicContact CD2-CB 4.21Å
1085I83.6Confident84.3Confident96 Ų9671 Ų7149%0.49234%0.335SS..Hα-helixtrans-64.7-46.3175.7-68.6164.2000110.4R1081 R1082 Q1087 R1088 N1089R1081-I1085 WeakPolarHBondContact O-CB 3.2Å; R1081-I1085 VanDerWaalsContact O-CG1 3.24Å; R1081-I1085 WeakPolarHBondContact O-CG1 3.41Å; R1081-I1085 PolarHBondContact O-N 2.94Å; R1082-I1085 PolarHBondContact O-N 3.43Å; I1085-Q1087 VanDerWaalsContact C-N 3.34Å; I1085-Q1087 PolarHBondContact O-N 3.38Å; I1085-R1088 PolarHBondContact O-N 3.18Å; I1085-N1089 WeakPolarHBondContact O-CB 3.49Å; I1085-N1089 PolarHBondContact O-N 2.87Å
1086T85.4Confident83.7Confident71 Ų7177 Ų7744%0.43636%0.355SS..Hα-helixtrans-59.8-44.9176.7-57.90000111.1R1082 Q1083 N1089 L1090R1082-T1086 PolarHBondContact O-N 2.79Å; R1082-T1086 PolarHBondContact O-OG1 3.45Å; Q1083-T1086 PolarHBondContact O-N 2.91Å; T1086-N1089 PolarHBondContact O-N 2.9Å; T1086-L1090 HydrophobicContact CG2-CD1 4.27Å; T1086-L1090 WeakPolarHBondContact O-CB 3.34Å; T1086-L1090 VanDerWaalsContact O-CG 3.29Å; T1086-L1090 WeakPolarHBondContact O-CG 3.46Å; T1086-L1090 PolarHBondContact O-N 3.01Å
1087Q80.9Confident83.2Confident22 Ų2281.2 Ų81.210%0.10337%0.373CS..Hα-helixtrans-64.3-43.9176.5-68.4-51.5-49.100112Q1083 L1084 I1085 N1089 L1090 L1091 M1136Q1083-Q1087 WeakPolarHBondContact O-CG 3.3Å; Q1083-Q1087 PolarHBondContact O-N 3.04Å; L1084-Q1087 PolarHBondContact O-N 3.37Å; I1085-Q1087 VanDerWaalsContact C-N 3.34Å; I1085-Q1087 PolarHBondContact O-N 3.38Å; Q1087-N1089 VanDerWaalsContact C-N 3.32Å; Q1087-N1089 PolarHBondContact O-N 3.48Å; Q1087-L1090 PolarHBondContact O-N 3.37Å; Q1087-L1091 WeakPolarHBondContact O-CG 3.32Å; Q1087-L1091 PolarHBondContact O-N 2.89Å; Q1087-M1136 HydrophobicContact CG-CG 4.1Å
1088R81.4Confident82.4Confident177 Ų17784.8 Ų84.867%0.66839%0.391SS*.Hα-helixtrans-57.3-46.7174.4-179.4-178176.5-177.3-0.6111.3L1084 I1085 L1090 L1091 V1092L1084-R1088 WeakPolarHBondContact O-CB 3.02Å; L1084-R1088 PolarHBondContact O-N 3.2Å; I1085-R1088 PolarHBondContact O-N 3.18Å; R1088-L1090 VanDerWaalsContact C-N 3.33Å; R1088-L1090 PolarHBondContact O-N 2.97Å; R1088-L1091 PolarHBondContact O-N 2.88Å; R1088-V1092 WeakPolarHBondContact O-CG2 3.48Å; R1088-V1092 PolarHBondContact O-N 3.22Å
1089N84.2Confident81.5Confident97 Ų9785.4 Ų85.452%0.51939%0.392SS..Hα-helixtrans-64.4-38179.2-70.6-10000111.7I1085 T1086 Q1087 V1092 Y1093I1085-N1089 WeakPolarHBondContact O-CB 3.49Å; I1085-N1089 PolarHBondContact O-N 2.87Å; T1086-N1089 PolarHBondContact O-N 2.9Å; Q1087-N1089 VanDerWaalsContact C-N 3.32Å; Q1087-N1089 PolarHBondContact O-N 3.48Å; N1089-V1092 PolarHBondContact O-N 2.96Å; N1089-Y1093 WeakPolarHBondContact O-CB 3.1Å; N1089-Y1093 PolarHBondContact O-N 3.16Å
1090L84.1Confident80.8Confident66 Ų6682 Ų8235%0.34637%0.374SS..Hα-helixtrans-62.8-45.2173-73.6172.1000111.7T1086 Q1087 R1088 Y1093 Q1094T1086-L1090 HydrophobicContact CG2-CD1 4.27Å; T1086-L1090 WeakPolarHBondContact O-CB 3.34Å; T1086-L1090 VanDerWaalsContact O-CG 3.29Å; T1086-L1090 WeakPolarHBondContact O-CG 3.46Å; T1086-L1090 PolarHBondContact O-N 3.01Å; Q1087-L1090 PolarHBondContact O-N 3.37Å; R1088-L1090 VanDerWaalsContact C-N 3.33Å; R1088-L1090 PolarHBondContact O-N 2.97Å; L1090-Y1093 PolarHBondContact O-N 3.3Å; L1090-Q1094 VanDerWaalsContact O-CB 3.31Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.17Å; L1090-Q1094 WeakPolarHBondContact O-CG 3.44Å; L1090-Q1094 PolarHBondContact O-N 3.46Å
1091L79Confident80Confident21 Ų2182.3 Ų82.311%0.1138%0.377CS..Hα-helixtrans-62.8-44177.2-67.3172.8000111.9Q1087 R1088 Q1094 S1095 L1100 I1133Q1087-L1091 WeakPolarHBondContact O-CG 3.32Å; Q1087-L1091 PolarHBondContact O-N 2.89Å; R1088-L1091 PolarHBondContact O-N 2.88Å; L1091-Q1094 PolarHBondContact O-N 3.28Å; L1091-S1095 WeakPolarHBondContact O-CB 3.49Å; L1091-S1095 PolarHBondContact O-N 2.94Å; L1091-L1100 HydrophobicContact CD2-CD1 3.8Å; L1091-I1133 HydrophobicContact CD2-CD1 4.13Å; L1091-I1133 HydrophobicContact CD2-CG1 3.84Å
1092V79.4Confident79.2Confident59 Ų5980.7 Ų80.736%0.35838%0.377SS..Hα-helixtrans-64.3-43.4176.6171.60000111R1088 N1089 S1095 R1096R1088-V1092 WeakPolarHBondContact O-CG2 3.48Å; R1088-V1092 PolarHBondContact O-N 3.22Å; N1089-V1092 PolarHBondContact O-N 2.96Å; V1092-S1095 PolarHBondContact O-N 2.99Å; V1092-R1096 WeakPolarHBondContact O-CB 3.27Å; V1092-R1096 VanDerWaalsContact O-CG 3.3Å; V1092-R1096 WeakPolarHBondContact O-CG 3.1Å; V1092-R1096 PolarHBondContact O-N 3.02Å
1093Y83Confident78.6Confident127 Ų12776.5 Ų76.550%0.49836%0.364SS..Hα-helixtrans-62.2-44.1177175.8-97.9000112.1N1089 L1090 R1096 K1097N1089-Y1093 WeakPolarHBondContact O-CB 3.1Å; N1089-Y1093 PolarHBondContact O-N 3.16Å; L1090-Y1093 PolarHBondContact O-N 3.3Å; Y1093-R1096 PolarHBondContact O-N 3.21Å; Y1093-K1097 HydrophobicContact CE1-CD 3.93Å; Y1093-K1097 HydrophobicContact CE2-CD 4.39Å; Y1093-K1097 VanDerWaalsContact CZ-CE 3.48Å; Y1093-K1097 PolarHBondContact O-N 3.47Å; Y1093-K1097 VanDerWaalsContact OH-CE 3.22Å; Y1093-K1097 WeakPolarHBondContact OH-CE 3.46Å; Y1093-K1097 PolarHBondContact OH-NZ 3.42Å
1094Q80.5Confident77.8Confident17 Ų1773.5 Ų73.58%0.07935%0.351CS..Hα-helixtrans-66.8-39.7178.3-75.1166-10.200112.4L1090 L1091 K1097 N1098 L1099 L1100 E1103L1090-Q1094 VanDerWaalsContact O-CB 3.31Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.17Å; L1090-Q1094 WeakPolarHBondContact O-CG 3.44Å; L1090-Q1094 PolarHBondContact O-N 3.46Å; L1091-Q1094 PolarHBondContact O-N 3.28Å; Q1094-K1097 PolarHBondContact O-N 3.24Å; Q1094-N1098 PolarHBondContact O-N 3.42Å; Q1094-L1099 PolarHBondContact O-N 3Å; Q1094-L1100 HydrophobicContact CB-CB 4.23Å; Q1094-L1100 HydrophobicContact CB-CD1 3.59Å; Q1094-L1100 PolarHBondContact O-N 2.82Å; Q1094-E1103 VanDerWaalsContact CD-OE2 3.27Å; Q1094-E1103 WeakPolarHBondContact CG-OE2 3.35Å; Q1094-E1103 PolarHBondContact NE2-OE1 3.38Å; Q1094-E1103 PolarHBondContact NE2-OE2 2.77Å
1095S74.9Confident77.2Confident41 Ų4176 Ų7629%0.28736%0.363SS..Hα-helixtrans-65.3-45.4174.6168.40000111.5L1091 V1092 K1097 N1098 D1177L1091-S1095 WeakPolarHBondContact O-CB 3.49Å; L1091-S1095 PolarHBondContact O-N 2.94Å; V1092-S1095 PolarHBondContact O-N 2.99Å; S1095-K1097 PolarHBondContact O-N 3.12Å; S1095-K1097 VanDerWaalsContact O-N 3.1Å; S1095-N1098 PolarHBondContact O-N 2.96Å; S1095-D1177 WeakPolarHBondContact CA-OD1 3.38Å; S1095-D1177 WeakPolarHBondContact CA-OD2 3.32Å; S1095-D1177 WeakPolarHBondContact CB-OD1 3.5Å; S1095-D1177 PolarHBondContact OG-OD1 2.85Å
1096R77.5Confident76.6Confident207 Ų20778.5 Ų78.578%0.78137%0.371SS*.Hα-helixtrans-58.3-28.3175.2-75.5177.7-179.6-176.2-0.1113.7V1092 Y1093V1092-R1096 WeakPolarHBondContact O-CB 3.27Å; V1092-R1096 VanDerWaalsContact O-CG 3.3Å; V1092-R1096 WeakPolarHBondContact O-CG 3.1Å; V1092-R1096 PolarHBondContact O-N 3.02Å; Y1093-R1096 PolarHBondContact O-N 3.21Å
1097K78.8Confident75.8Confident110 Ų11081 Ų8148%0.47837%0.372SS..THydrogen-bonded Turntrans-89.7-0.3175.8-74.3-167.9164.4-169.30114Y1093 Q1094 S1095 L1099Y1093-K1097 HydrophobicContact CE1-CD 3.93Å; Y1093-K1097 HydrophobicContact CE2-CD 4.39Å; Y1093-K1097 VanDerWaalsContact CZ-CE 3.48Å; Y1093-K1097 PolarHBondContact O-N 3.47Å; Y1093-K1097 VanDerWaalsContact OH-CE 3.22Å; Y1093-K1097 WeakPolarHBondContact OH-CE 3.46Å; Y1093-K1097 PolarHBondContact OH-NZ 3.42Å; Q1094-K1097 PolarHBondContact O-N 3.24Å; S1095-K1097 PolarHBondContact O-N 3.12Å; S1095-K1097 VanDerWaalsContact O-N 3.1Å; K1097-L1099 HydrophobicContact CB-CB 4.32Å; K1097-L1099 HydrophobicContact CB-CD1 3.91Å; K1097-L1099 HydrophobicContact CB-CG 3.9Å; K1097-L1099 HydrophobicContact CD-CD1 4.09Å; K1097-L1099 PolarHBondContact O-N 3.42Å
1098N72.1Confident74.9Confident88 Ų8881.5 Ų81.547%0.47138%0.375SS..THydrogen-bonded Turntrans5428-170.9-60.9-42.8000113.4Q1094 S1095Q1094-N1098 PolarHBondContact O-N 3.42Å; S1095-N1098 PolarHBondContact O-N 2.96Å
1099L73Confident73.7Confident76 Ų7675.3 Ų75.340%0.39836%0.359SS..  trans-102.2-8.3-177.5-69178.4000113.2Q1094 K1097 Q1101 L1102 E1103Q1094-L1099 PolarHBondContact O-N 3Å; K1097-L1099 HydrophobicContact CB-CB 4.32Å; K1097-L1099 HydrophobicContact CB-CD1 3.91Å; K1097-L1099 HydrophobicContact CB-CG 3.9Å; K1097-L1099 HydrophobicContact CD-CD1 4.09Å; K1097-L1099 PolarHBondContact O-N 3.42Å; L1099-Q1101 VanDerWaalsContact C-N 3.34Å; L1099-Q1101 PolarHBondContact O-N 2.96Å; L1099-L1102 HydrophobicContact CD2-CD1 3.98Å; L1099-L1102 PolarHBondContact O-N 3.4Å; L1099-L1102 VanDerWaalsContact O-N 3.14Å; L1099-E1103 PolarHBondContact O-N 3.14Å
1100L72.7Confident72.1Confident1 Ų176.4 Ų76.41%0.00537%0.365CS..Hα-helixtrans-54.2-47.3-172.4-166.482000112.3L1091 Q1094 E1103 I1104 I1173 T1174 D1177L1091-L1100 HydrophobicContact CD2-CD1 3.8Å; Q1094-L1100 HydrophobicContact CB-CB 4.23Å; Q1094-L1100 HydrophobicContact CB-CD1 3.59Å; Q1094-L1100 PolarHBondContact O-N 2.82Å; L1100-E1103 PolarHBondContact O-N 3.23Å; L1100-I1104 HydrophobicContact CG-CD1 4.27Å; L1100-I1104 WeakPolarHBondContact O-CD1 3.42Å; L1100-I1104 VanDerWaalsContact O-CG1 3.22Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.49Å; L1100-I1104 PolarHBondContact O-N 3.44Å; L1100-I1173 HydrophobicContact CD2-CG2 4.29Å; L1100-T1174 HydrophobicContact CD2-CG2 3.42Å; L1100-T1174 VanDerWaalsContact CD2-CG2 3.42Å; L1100-T1174 HydrophobicContact CG-CG2 3.96Å; L1100-D1177 VanDerWaalsContact CB-OD2 3.32Å; L1100-D1177 WeakPolarHBondContact CB-OD2 3.23Å; L1100-D1177 HydrophobicContact CD2-CB 4.16Å
1101Q70.1Confident70.5Confident35 Ų3576.2 Ų76.216%0.16437%0.369CS..Hα-helixtrans-65.1-43.2179-73.5-171.5-35.200113.1L1099 E1103 I1104 I1105 D1153L1099-Q1101 VanDerWaalsContact C-N 3.34Å; L1099-Q1101 PolarHBondContact O-N 2.96Å; Q1101-E1103 VanDerWaalsContact C-N 3.29Å; Q1101-E1103 PolarHBondContact O-N 2.89Å; Q1101-I1104 PolarHBondContact O-N 2.98Å; Q1101-I1105 VanDerWaalsContact O-CG1 3.28Å; Q1101-I1105 WeakPolarHBondContact O-CG1 3.35Å; Q1101-I1105 PolarHBondContact O-N 3.29Å; Q1101-D1153 PolarHBondContact NE2-OD2 2.88Å
1102L70.9Confident68.8Low90 Ų9080.4 Ų80.447%0.47138%0.384SS..Hα-helixtrans-62.1-40.7-179.9-74.1172000111L1099 I1104 I1105 K1106L1099-L1102 HydrophobicContact CD2-CD1 3.98Å; L1099-L1102 PolarHBondContact O-N 3.4Å; L1099-L1102 VanDerWaalsContact O-N 3.14Å; L1102-I1104 VanDerWaalsContact C-N 3.32Å; L1102-I1104 PolarHBondContact O-N 2.99Å; L1102-I1105 PolarHBondContact O-N 3.37Å; L1102-K1106 WeakPolarHBondContact O-CB 3.41Å; L1102-K1106 PolarHBondContact O-N 3.11Å
1103E72.9Confident67.1Low73 Ų7384.1 Ų84.134%0.34140%0.402SS..Hα-helixtrans-70.5-31.4-179.2-158.8164.716300112.4Q1094 L1099 L1100 Q1101 K1106 R1107Q1094-E1103 VanDerWaalsContact CD-OE2 3.27Å; Q1094-E1103 WeakPolarHBondContact CG-OE2 3.35Å; Q1094-E1103 PolarHBondContact NE2-OE1 3.38Å; Q1094-E1103 PolarHBondContact NE2-OE2 2.77Å; L1099-E1103 PolarHBondContact O-N 3.14Å; L1100-E1103 PolarHBondContact O-N 3.23Å; Q1101-E1103 VanDerWaalsContact C-N 3.29Å; Q1101-E1103 PolarHBondContact O-N 2.89Å; E1103-K1106 PolarHBondContact O-N 2.78Å; E1103-R1107 PolarHBondContact O-N 3.04Å
1104I68.5Low65.3Low16 Ų1683.5 Ų83.58%0.08240%0.399CS..Hα-helixtrans-74.1-45.1174.2-63.1165.2000111L1100 Q1101 L1102 K1106 R1107 L1108 I1133 T1155 T1174L1100-I1104 HydrophobicContact CG-CD1 4.27Å; L1100-I1104 WeakPolarHBondContact O-CD1 3.42Å; L1100-I1104 VanDerWaalsContact O-CG1 3.22Å; L1100-I1104 WeakPolarHBondContact O-CG1 3.49Å; L1100-I1104 PolarHBondContact O-N 3.44Å; Q1101-I1104 PolarHBondContact O-N 2.98Å; L1102-I1104 VanDerWaalsContact C-N 3.32Å; L1102-I1104 PolarHBondContact O-N 2.99Å; I1104-K1106 PolarHBondContact O-N 3.44Å; I1104-R1107 PolarHBondContact O-N 3.36Å; I1104-R1107 VanDerWaalsContact O-N 3.08Å; I1104-L1108 HydrophobicContact CG2-CD1 3.53Å; I1104-L1108 HydrophobicContact CG2-CG 4.16Å; I1104-L1108 WeakPolarHBondContact O-CB 3.41Å; I1104-L1108 WeakPolarHBondContact O-CG 3.48Å; I1104-L1108 PolarHBondContact O-N 2.92Å; I1104-I1133 HydrophobicContact CD1-CD1 3.3Å; I1104-I1133 HydrophobicContact CG1-CD1 3.73Å; I1104-T1155 HydrophobicContact CB-CG2 4.46Å; I1104-T1155 HydrophobicContact CD1-CG2 3.73Å; I1104-T1155 HydrophobicContact CG2-CG2 3.57Å; I1104-T1174 HydrophobicContact CD1-CG2 3.06Å
1105I68.6Low63.5Low105 Ų10587.5 Ų87.554%0.53842%0.418SS..Hα-helixtrans-56.2-38.3172.7-67165.7000109.4Q1101 L1102 L1108 S1109Q1101-I1105 VanDerWaalsContact O-CG1 3.28Å; Q1101-I1105 WeakPolarHBondContact O-CG1 3.35Å; Q1101-I1105 PolarHBondContact O-N 3.29Å; L1102-I1105 PolarHBondContact O-N 3.37Å; I1105-L1108 CarbonylContact O-C 3.47Å; I1105-L1108 PolarHBondContact O-N 3.13Å; I1105-S1109 WeakPolarHBondContact O-CA 3.32Å; I1105-S1109 WeakPolarHBondContact O-CB 3.35Å; I1105-S1109 PolarHBondContact O-N 3.33Å; I1105-S1109 PolarHBondContact O-OG 3Å
1106K71.6Confident62.1Low150 Ų15093.9 Ų93.965%0.65244%0.443SS*.Hα-helixtrans-68.4-41.1174.6-168.9177.2-177.3178.20113.6L1102 E1103 I1104 L1108 S1109L1102-K1106 WeakPolarHBondContact O-CB 3.41Å; L1102-K1106 PolarHBondContact O-N 3.11Å; E1103-K1106 PolarHBondContact O-N 2.78Å; I1104-K1106 PolarHBondContact O-N 3.44Å; K1106-L1108 VanDerWaalsContact C-N 3.34Å; K1106-S1109 WeakPolarHBondContact CA-OG 3.3Å; K1106-S1109 PolarHBondContact O-OG 2.81Å
1107R67.3Low60.5Low123 Ų12388 Ų8846%0.46443%0.426SS..Hα-helixtrans-65.8-37.6174.3-83.9-176.9-178.2176.93.6111.9E1103 I1104E1103-R1107 PolarHBondContact O-N 3.04Å; I1104-R1107 PolarHBondContact O-N 3.36Å; I1104-R1107 VanDerWaalsContact O-N 3.08Å
1108L63.3Low58.9Low33 Ų3387 Ų8717%0.17343%0.434CS..Hα-helixtrans-79.5-29.5177.8-72.5166.8000112.1I1104 I1105 K1106 N1110 S1111 Y1112 D1153 N1154I1104-L1108 HydrophobicContact CG2-CD1 3.53Å; I1104-L1108 HydrophobicContact CG2-CG 4.16Å; I1104-L1108 WeakPolarHBondContact O-CB 3.41Å; I1104-L1108 WeakPolarHBondContact O-CG 3.48Å; I1104-L1108 PolarHBondContact O-N 2.92Å; I1105-L1108 CarbonylContact O-C 3.47Å; I1105-L1108 PolarHBondContact O-N 3.13Å; K1106-L1108 VanDerWaalsContact C-N 3.34Å; L1108-N1110 VanDerWaalsContact C-N 3.29Å; L1108-N1110 PolarHBondContact O-N 2.85Å; L1108-S1111 CarbonylContact O-C 3.6Å; L1108-S1111 VanDerWaalsContact O-CA 3.24Å; L1108-S1111 WeakPolarHBondContact O-CA 3.4Å; L1108-S1111 VanDerWaalsContact O-CB 3.32Å; L1108-S1111 WeakPolarHBondContact O-CB 3.26Å; L1108-S1111 PolarHBondContact O-N 3.36Å; L1108-S1111 PolarHBondContact O-OG 2.96Å; L1108-Y1112 PolarHBondContact O-N 2.71Å; L1108-D1153 WeakPolarHBondContact CD1-O 3.23Å; L1108-N1154 HydrophobicContact CD1-CB 3.96Å
1109S55.4Low57.8Low46 Ų4688.4 Ų88.432%0.32244%0.44SS..Hα-helixtrans-64.7-35.517967.20000111.5I1105 K1106 S1111 Y1112 L1113I1105-S1109 WeakPolarHBondContact O-CA 3.32Å; I1105-S1109 WeakPolarHBondContact O-CB 3.35Å; I1105-S1109 PolarHBondContact O-N 3.33Å; I1105-S1109 PolarHBondContact O-OG 3Å; K1106-S1109 WeakPolarHBondContact CA-OG 3.3Å; K1106-S1109 PolarHBondContact O-OG 2.81Å; S1109-S1111 PolarHBondContact O-N 3.02Å; S1109-Y1112 PolarHBondContact O-N 3.43Å; S1109-L1113 PolarHBondContact O-N 3.43Å
1110N50.4Low56.3Low120 Ų12088 Ų8864%0.64244%0.438SS*.Hα-helixtrans-58.7-26.1167.8-81.6-0.5000112.7L1108L1108-N1110 VanDerWaalsContact C-N 3.29Å; L1108-N1110 PolarHBondContact O-N 2.85Å
1111S50.7Low54.9Low63 Ų6390.6 Ų90.644%0.44146%0.457SS..Hα-helixtrans-88.2-26.1170.5750000113.6L1108 S1109 Y1114L1108-S1111 CarbonylContact O-C 3.6Å; L1108-S1111 VanDerWaalsContact O-CA 3.24Å; L1108-S1111 WeakPolarHBondContact O-CA 3.4Å; L1108-S1111 VanDerWaalsContact O-CB 3.32Å; L1108-S1111 WeakPolarHBondContact O-CB 3.26Å; L1108-S1111 PolarHBondContact O-N 3.36Å; L1108-S1111 PolarHBondContact O-OG 2.96Å; S1109-S1111 PolarHBondContact O-N 3.02Å; S1111-Y1114 PolarHBondContact O-N 3.44Å
1112Y43.7Very low53.7Low108 Ų10892.6 Ų92.642%0.42448%0.475SS..Hα-helixtrans-79.7-29.5-178.3-122.4-86.6000113.2L1108 S1109 Y1114 Q1115L1108-Y1112 PolarHBondContact O-N 2.71Å; S1109-Y1112 PolarHBondContact O-N 3.43Å; Y1112-Y1114 PolarHBondContact O-N 2.86Å; Y1112-Y1114 VanDerWaalsContact O-N 3.09Å; Y1112-Q1115 HydrophobicContact CD1-CB 4.21Å; Y1112-Q1115 WeakPolarHBondContact O-CA 3.25Å; Y1112-Q1115 VanDerWaalsContact O-CB 3.32Å; Y1112-Q1115 WeakPolarHBondContact O-CB 3.45Å; Y1112-Q1115 PolarHBondContact O-N 3.39Å
1113L43.6Very low52.4Low138 Ų13894.1 Ų94.172%0.72348%0.482SS*.THydrogen-bonded Turntrans-55.4-24.9169.9-87.1165.9000112.1S1109S1109-L1113 PolarHBondContact O-N 3.43Å
1114Y45.2Very low51.1Low114 Ų11495.6 Ų95.645%0.44749%0.488SS..THydrogen-bonded Turntrans-87-9.8172.7-91.1-86000114.8S1111 Y1112 L1120S1111-Y1114 PolarHBondContact O-N 3.44Å; Y1112-Y1114 PolarHBondContact O-N 2.86Å; Y1112-Y1114 VanDerWaalsContact O-N 3.09Å; Y1114-L1120 HydrophobicContact CE1-CD2 4.46Å
1115Q42.8Very low49.9Very low100 Ų100104 Ų10447%0.46752%0.524SS..THydrogen-bonded Turntrans-84.2-30.3179.5-169.3170.4-5.400112.4Y1112Y1112-Q1115 HydrophobicContact CD1-CB 4.21Å; Y1112-Q1115 WeakPolarHBondContact O-CA 3.25Å; Y1112-Q1115 VanDerWaalsContact O-CB 3.32Å; Y1112-Q1115 WeakPolarHBondContact O-CB 3.45Å; Y1112-Q1115 PolarHBondContact O-N 3.39Å
1116H44.5Very low48.7Very low176 Ų176106.2 Ų106.282%0.81553%0.532SS*.SBendtrans-83.3-9.7-179.6-101.731.1000114.8
1117N45.2Very low47.5Very low82 Ų82104.7 Ų104.744%0.43953%0.53SS..  trans-117.281.6177.3-141.2-18.2000109.6L1119 L1120 S1121N1117-L1119 PolarHBondContact O-N 2.91Å; N1117-L1119 VanDerWaalsContact O-N 3.17Å; N1117-L1120 HydrophobicContact CB-CB 4.25Å; N1117-L1120 HydrophobicContact CB-CD1 4.08Å; N1117-L1120 VanDerWaalsContact ND2-CD1 3.29Å; N1117-L1120 WeakPolarHBondContact ND2-CD1 3.34Å; N1117-L1120 PolarHBondContact O-N 2.97Å; N1117-L1120 VanDerWaalsContact O-N 3.11Å; N1117-S1121 PolarHBondContact O-N 3.22Å
1118S45.1Very low46.8Very low90 Ų90104.3 Ų104.363%0.62953%0.532SS*.Hα-helixtrans-54.8-34.4-177.664.30000111.8S1121 S1122S1118-S1121 PolarHBondContact O-N 2.86Å; S1118-S1121 PolarHBondContact O-OG 3.27Å; S1118-S1122 PolarHBondContact O-N 2.89Å
1119L47.4Very low46.9Very low117 Ų117108.9 Ų108.961%0.61355%0.551SS**Hα-helixtrans-62.8-45.6178.8-130.3135.6000111.8N1117 S1121 S1122 I1123N1117-L1119 PolarHBondContact O-N 2.91Å; N1117-L1119 VanDerWaalsContact O-N 3.17Å; L1119-S1121 VanDerWaalsContact C-N 3.32Å; L1119-S1121 PolarHBondContact O-N 3.44Å; L1119-S1122 PolarHBondContact O-N 3.15Å; L1119-S1122 PolarHBondContact O-OG 3.06Å; L1119-I1123 HydrophobicContact CD2-CD1 4.37Å; L1119-I1123 PolarHBondContact O-N 3.41Å
1120L41.5Very low47.7Very low67 Ų67108.5 Ų108.535%0.35155%0.545SS..Hα-helixtrans-67.2-30.7175.7-97.2132.4000112.9Y1114 N1117 S1122 F1124Y1114-L1120 HydrophobicContact CE1-CD2 4.46Å; N1117-L1120 HydrophobicContact CB-CB 4.25Å; N1117-L1120 HydrophobicContact CB-CD1 4.08Å; N1117-L1120 VanDerWaalsContact ND2-CD1 3.29Å; N1117-L1120 WeakPolarHBondContact ND2-CD1 3.34Å; N1117-L1120 PolarHBondContact O-N 2.97Å; N1117-L1120 VanDerWaalsContact O-N 3.11Å; L1120-S1122 VanDerWaalsContact C-N 3.33Å; L1120-S1122 PolarHBondContact O-N 3.45Å; L1120-F1124 HydrophobicContact CD2-CD2 4.17Å; L1120-F1124 HydrophobicContact CD2-CE2 4.12Å; L1120-F1124 PolarHBondContact O-N 3.46Å; L1120-F1124 VanDerWaalsContact O-N 3.12Å
1121S43.2Very low48.9Very low56 Ų56105.9 Ų105.939%0.39253%0.53SS..Hα-helixtrans-71.1-26.9176.984.20000113.6N1117 S1118 L1119 F1124N1117-S1121 PolarHBondContact O-N 3.22Å; S1118-S1121 PolarHBondContact O-N 2.86Å; S1118-S1121 PolarHBondContact O-OG 3.27Å; L1119-S1121 VanDerWaalsContact C-N 3.32Å; L1119-S1121 PolarHBondContact O-N 3.44Å; S1121-F1124 CarbonylContact O-C 3.4Å
1122S45.4Very low50.3Low78 Ų78102.9 Ų102.955%0.54551%0.51SS..Hα-helixtrans-77.8-38.7178.473.70000112.4S1118 L1119 L1120S1118-S1122 PolarHBondContact O-N 2.89Å; L1119-S1122 PolarHBondContact O-N 3.15Å; L1119-S1122 PolarHBondContact O-OG 3.06Å; L1120-S1122 VanDerWaalsContact C-N 3.33Å; L1120-S1122 PolarHBondContact O-N 3.45Å
1123I45Very low51.9Low121 Ų12198.6 Ų98.662%0.62149%0.494SS*.Hα-helixtrans-72.4-42.5179.5-62.5172.5000109.9L1119 K1125L1119-I1123 HydrophobicContact CD2-CD1 4.37Å; L1119-I1123 PolarHBondContact O-N 3.41Å; I1123-K1125 PolarHBondContact O-N 2.81Å
1124F45.5Very low53.5Low105 Ų10593 Ų9346%0.46147%0.465SS..SBendtrans-94.585.4171.9-69.2-83.6000109.6L1120 S1121 Q1126L1120-F1124 HydrophobicContact CD2-CD2 4.17Å; L1120-F1124 HydrophobicContact CD2-CE2 4.12Å; L1120-F1124 PolarHBondContact O-N 3.46Å; L1120-F1124 VanDerWaalsContact O-N 3.12Å; S1121-F1124 CarbonylContact O-C 3.4Å; F1124-Q1126 PolarHBondContact O-N 3Å
1125K43.6Very low55.1Low193 Ų19388 Ų8884%0.83945%0.446SS*.  trans-58.745.9165.3-76-177.8174.1175.30113.2I1123 N1127I1123-K1125 PolarHBondContact O-N 2.81Å; K1125-N1127 PolarHBondContact O-N 3.31Å
1126Q41.7Very low56.7Low151 Ų15185.4 Ų85.471%0.70643%0.434SS*.  trans-83.199.9172.7-79.1-173.3-0.800108.6F1124 K1128F1124-Q1126 PolarHBondContact O-N 3Å; Q1126-K1128 PolarHBondContact O-N 2.89Å
1127N46.2Very low58.3Low117 Ų11778.5 Ų78.563%0.62640%0.402SS*.  trans-38.4103.7161.4-67.9-38.7000109.8K1125 K1129K1125-N1127 PolarHBondContact O-N 3.31Å; N1127-K1129 PolarHBondContact O-N 3.07Å; N1127-K1129 VanDerWaalsContact O-N 3.11Å
1128K53.6Low59.9Low115 Ų11580.2 Ų80.250%0.541%0.406SS..  trans-56.3117-178.8-70.3-179.7179.7179.50108.8Q1126 I1141Q1126-K1128 PolarHBondContact O-N 2.89Å; K1128-I1141 HydrophobicContact CB-CD1 3.57Å; K1128-I1141 HydrophobicContact CB-CG1 4.3Å; K1128-I1141 HydrophobicContact CD-CD1 4.24Å; K1128-I1141 PolarHBondContact O-N 2.89Å
1129K64.5Low61.2Low130 Ų13078.8 Ų78.857%0.56539%0.387SS*.EExtended strand (participates in β ladder)trans-105.2127.4173.9-65.9-177.2-176.4-177.70108.5N1127 Y1139 K1140N1127-K1129 PolarHBondContact O-N 3.07Å; N1127-K1129 VanDerWaalsContact O-N 3.11Å; K1129-Y1139 CarbonylContact C-O 3.45Å; K1129-Y1139 VanDerWaalsContact CA-O 3.22Å; K1129-Y1139 WeakPolarHBondContact CA-O 3.41Å; K1129-K1140 HydrophobicContact CG-CG 4.37Å
1130I72.3Confident62.3Low38 Ų3878.8 Ų78.820%0.19538%0.382CS..EExtended strand (participates in β ladder)trans-111.8142.2175.6-46.6174.7000109.2Y1139 I1141 I1149 T1156I1130-Y1139 PolarHBondContact N-O 3.39Å; I1130-Y1139 PolarHBondContact O-N 3.39Å; I1130-I1141 HydrophobicContact CD1-CD1 3.49Å; I1130-I1141 VanDerWaalsContact CD1-CD1 3.49Å; I1130-I1141 HydrophobicContact CD1-CG1 3.65Å; I1130-I1141 HydrophobicContact CG1-CD1 3.85Å; I1130-I1141 HydrophobicContact CG1-CG1 3.88Å; I1130-I1149 HydrophobicContact CD1-CD1 4.4Å; I1130-T1156 HydrophobicContact CB-CG2 4.27Å; I1130-T1156 HydrophobicContact CD1-CG2 4.15Å; I1130-T1156 HydrophobicContact CG2-CG2 3.5Å; I1130-T1156 VanDerWaalsContact CG2-CG2 3.5Å; I1130-T1156 VanDerWaalsContact CG2-OG1 3.27Å; I1130-T1156 WeakPolarHBondContact CG2-OG1 3.36Å
1131N76.8Confident63.2Low64 Ų6479.5 Ų79.534%0.34239%0.386SS..EExtended strand (participates in β ladder)trans-96.4130.5-178.4-55.4-4.6000110.3I1133 E1137 K1138 T1156N1131-I1133 PolarHBondContact O-N 3.47Å; N1131-E1137 CarbonylContact C-O 3.55Å; N1131-E1137 VanDerWaalsContact CA-O 3.27Å; N1131-E1137 WeakPolarHBondContact CA-O 3.34Å; N1131-K1138 WeakPolarHBondContact OD1-CG 3.4Å; N1131-T1156 PolarHBondContact O-OG1 3.08Å
1132C79.6Confident64Low1 Ų180.5 Ų80.51%0.00739%0.392CS..  trans-60.8129.2169.6171.90000110.3I1134 C1135 M1136 E1137 Y1139 T1156 C1158C1132-I1134 PolarHBondContact O-N 3.39Å; C1132-I1134 VanDerWaalsContact O-N 3.16Å; C1132-I1134 PolarHBondContact SG-N 3.49Å; C1132-C1135 VanDerWaalsContact CB-SG 3.55Å; C1132-M1136 WeakPolarHBondContact O-CA 3.44Å; C1132-M1136 PolarHBondContact O-N 3.29Å; C1132-E1137 PolarHBondContact N-O 2.9Å; C1132-Y1139 HydrophobicContact CB-CE2 4.15Å; C1132-T1156 CarbonylContact C-O 3.55Å; C1132-T1156 WeakPolarHBondContact CA-O 3.47Å; C1132-C1158 HydrophobicContact CB-CB 3.97Å; C1132-C1158 PolarHBondContact SG-N 3.27Å
1133I77Confident64.4Low17 Ų1787.5 Ų87.59%0.08741%0.412CS..THydrogen-bonded Turntrans-63.3-25.4-176-165162.9000114L1091 I1104 N1131 T1156 I1157 T1174L1091-I1133 HydrophobicContact CD2-CD1 4.13Å; L1091-I1133 HydrophobicContact CD2-CG1 3.84Å; I1104-I1133 HydrophobicContact CD1-CD1 3.3Å; I1104-I1133 HydrophobicContact CG1-CD1 3.73Å; N1131-I1133 PolarHBondContact O-N 3.47Å; I1133-T1156 PolarHBondContact N-O 2.62Å; I1133-I1157 HydrophobicContact CG2-CG1 4.03Å; I1133-T1174 HydrophobicContact CD1-CG2 4.15Å
1134I78Confident64.9Low22 Ų2290.1 Ų90.111%0.11342%0.422CS..THydrogen-bonded Turntrans-90.5-54.8-174.3-54.2-178.5000110.7C1132 I1157 C1161 L1165 F1166 I1173C1132-I1134 PolarHBondContact O-N 3.39Å; C1132-I1134 VanDerWaalsContact O-N 3.16Å; C1132-I1134 PolarHBondContact SG-N 3.49Å; I1134-I1157 HydrophobicContact CD1-CG2 3.87Å; I1134-C1161 HydrophobicContact CB-CB 4.19Å; I1134-C1161 HydrophobicContact CD1-CB 3.98Å; I1134-C1161 HydrophobicContact CG2-CB 4.31Å; I1134-L1165 HydrophobicContact CD1-CD1 3.51Å; I1134-L1165 HydrophobicContact CG2-CD1 3.78Å; I1134-F1166 HydrophobicContact CD1-CE2 4.34Å; I1134-I1173 HydrophobicContact CD1-CD1 3.47Å; I1134-I1173 VanDerWaalsContact CD1-CD1 3.47Å; I1134-I1173 HydrophobicContact CG1-CD1 3.93Å
1135C77.4Confident65.6Low8 Ų886.8 Ų86.85%0.05441%0.412CS..THydrogen-bonded Turntrans-97.6-7.6-174.866.50000114.2Y903 L1084 C1132 E1137Y903-C1135 WeakPolarHBondContact CE1-O 3.5Å; Y903-C1135 PolarHBondContact OH-O 3.4Å; L1084-C1135 HydrophobicContact CD2-CB 4.21Å; C1132-C1135 VanDerWaalsContact CB-SG 3.55Å; C1135-E1137 PolarHBondContact O-N 3.23Å; C1135-E1137 VanDerWaalsContact SG-CB 3.56Å
1136M76.8Confident66.8Low45 Ų4584.2 Ų84.222%0.22240%0.401CS..  trans61.317.7-176.1-68.5-70.9-73.800115.1Y903 Q1087 C1132Y903-M1136 HydrophobicContact CE1-CB 4.35Å; Q1087-M1136 HydrophobicContact CG-CG 4.1Å; C1132-M1136 WeakPolarHBondContact O-CA 3.44Å; C1132-M1136 PolarHBondContact O-N 3.29Å
1137E79.5Confident68.4Low31 Ų3178.1 Ų78.115%0.14537%0.373CS..  trans-74.2141.2178.1-17352.2-130.400112.1K901 G902 N1131 C1132 C1135 Y1139K901-E1137 WeakPolarHBondContact CA-OE2 3.27Å; K901-E1137 WeakPolarHBondContact CB-OE2 3.46Å; K901-E1137 VanDerWaalsContact CG-OE2 3.25Å; K901-E1137 WeakPolarHBondContact CG-OE2 3.42Å; G902-E1137 PolarHBondContact N-OE1 2.94Å; G902-E1137 VanDerWaalsContact N-OE1 3.13Å; G902-E1137 PolarHBondContact N-OE2 3.43Å; N1131-E1137 CarbonylContact C-O 3.55Å; N1131-E1137 VanDerWaalsContact CA-O 3.27Å; N1131-E1137 WeakPolarHBondContact CA-O 3.34Å; C1132-E1137 PolarHBondContact N-O 2.9Å; C1135-E1137 PolarHBondContact O-N 3.23Å; C1135-E1137 VanDerWaalsContact SG-CB 3.56Å; E1137-Y1139 HydrophobicContact CB-CD2 4.45Å; E1137-Y1139 HydrophobicContact CB-CE2 3.64Å; E1137-Y1139 HydrophobicContact CG-CD2 4.4Å; E1137-Y1139 HydrophobicContact CG-CE2 3.68Å; E1137-Y1139 WeakPolarHBondContact O-CD2 3.43Å
1138K78Confident69.9Low118 Ų11874.5 Ų74.551%0.51335%0.351SS..EExtended strand (participates in β ladder)trans-95.4118.5-173.7-61.8-171.4172.6172.20110.6N1131N1131-K1138 WeakPolarHBondContact OD1-CG 3.4Å
1139Y72.9Confident70.8Confident60 Ų6072.1 Ų72.124%0.23534%0.343CS..EExtended strand (participates in β ladder)trans-115.3145.2177.9-63.1-93.2000111.8K1129 I1130 C1132 E1137 I1147 C1158K1129-Y1139 CarbonylContact C-O 3.45Å; K1129-Y1139 VanDerWaalsContact CA-O 3.22Å; K1129-Y1139 WeakPolarHBondContact CA-O 3.41Å; I1130-Y1139 PolarHBondContact N-O 3.39Å; I1130-Y1139 PolarHBondContact O-N 3.39Å; C1132-Y1139 HydrophobicContact CB-CE2 4.15Å; E1137-Y1139 HydrophobicContact CB-CD2 4.45Å; E1137-Y1139 HydrophobicContact CB-CE2 3.64Å; E1137-Y1139 HydrophobicContact CG-CD2 4.4Å; E1137-Y1139 HydrophobicContact CG-CE2 3.68Å; E1137-Y1139 WeakPolarHBondContact O-CD2 3.43Å; Y1139-I1147 HydrophobicContact CD1-CG1 4.1Å; Y1139-I1147 HydrophobicContact CD2-CD1 4.48Å; Y1139-I1147 HydrophobicContact CD2-CG1 4.22Å; Y1139-I1147 HydrophobicContact CG-CD1 3.88Å; Y1139-I1147 HydrophobicContact CG-CG1 3.74Å; Y1139-C1158 HydrophobicContact CD2-CB 4.32Å; Y1139-C1158 HydrophobicContact CE1-CB 4.34Å; Y1139-C1158 HydrophobicContact CE2-CB 3.35Å; Y1139-C1158 WeakPolarHBondContact OH-CB 3.33Å
1140K69.1Low71.3Confident117 Ų11766 Ų6651%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-79.7140.5169.7-69.2-179.6-178.4176.50109.5K1129 C1142 S1145K1129-K1140 HydrophobicContact CG-CG 4.37Å; K1140-C1142 PolarHBondContact O-N 3.47Å; K1140-C1142 VanDerWaalsContact O-N 3.16Å; K1140-S1145 WeakPolarHBondContact O-CB 3.39Å
1141I60.5Low71.2Confident83 Ų8368.5 Ų68.543%0.42634%0.335SS..  trans-75.5101173.5-51.8171.7000108.5K1128 I1130K1128-I1141 HydrophobicContact CB-CD1 3.57Å; K1128-I1141 HydrophobicContact CB-CG1 4.3Å; K1128-I1141 HydrophobicContact CD-CD1 4.24Å; K1128-I1141 PolarHBondContact O-N 2.89Å; I1130-I1141 HydrophobicContact CD1-CD1 3.49Å; I1130-I1141 VanDerWaalsContact CD1-CD1 3.49Å; I1130-I1141 HydrophobicContact CD1-CG1 3.65Å; I1130-I1141 HydrophobicContact CG1-CD1 3.85Å; I1130-I1141 HydrophobicContact CG1-CG1 3.88Å
1142C59.9Low70.8Confident76 Ų7673.6 Ų73.651%0.51435%0.351SS..  trans-130.7155.2170.3-67.40000108.2K1140 E1144 S1145K1140-C1142 PolarHBondContact O-N 3.47Å; K1140-C1142 VanDerWaalsContact O-N 3.16Å; C1142-E1144 PolarHBondContact O-N 3.24Å; C1142-E1144 VanDerWaalsContact O-N 3.08Å; C1142-S1145 VanDerWaalsContact O-CB 3.23Å; C1142-S1145 WeakPolarHBondContact O-CB 3.44Å; C1142-S1145 PolarHBondContact O-N 2.05Å; C1142-S1145 PolarHBondContact O-OG 2.91Å
1143K55.5Low70.3Confident226 Ų22675.2 Ų75.298%0.98336%0.359SS*.THydrogen-bonded Turntrans-56.3-27.3177.5-75.3-176.8177-179.90112.7
1144E54.7Low69.9Low176 Ų17677.5 Ų77.582%0.82237%0.372SS*.THydrogen-bonded Turntrans-929.4177.4-63.2173.617700113.8C1142 F1146C1142-E1144 PolarHBondContact O-N 3.24Å; C1142-E1144 VanDerWaalsContact O-N 3.08Å; E1144-F1146 PolarHBondContact O-N 3.46Å
1145S59.3Low69.8Low35 Ų3576.7 Ų76.725%0.24537%0.368CS..  trans-69.3129.8-176.668.50000111.5K1140 C1142 I1147K1140-S1145 WeakPolarHBondContact O-CB 3.39Å; C1142-S1145 VanDerWaalsContact O-CB 3.23Å; C1142-S1145 WeakPolarHBondContact O-CB 3.44Å; C1142-S1145 PolarHBondContact O-N 2.05Å; C1142-S1145 PolarHBondContact O-OG 2.91Å; S1145-I1147 PolarHBondContact O-N 3.33Å
1146F70.1Confident69.9Low138 Ų13876.7 Ų76.761%0.60537%0.367SS*.SBendtrans-68.451.1172.3-61.7-83.3000112.7E1144 Q1159E1144-F1146 PolarHBondContact O-N 3.46Å; F1146-Q1159 HydrophobicContact CB-CB 4.03Å; F1146-Q1159 WeakPolarHBondContact O-CB 3.25Å; F1146-Q1159 PolarHBondContact O-N 2.96Å
1147I75.6Confident70Confident24 Ų2474.6 Ų74.612%0.12336%0.357CS..EExtended strand (participates in β ladder)trans-131.2131.3-176.7-44165.8000109Y1139 S1145 I1149 T1156Y1139-I1147 HydrophobicContact CD1-CG1 4.1Å; Y1139-I1147 HydrophobicContact CD2-CD1 4.48Å; Y1139-I1147 HydrophobicContact CD2-CG1 4.22Å; Y1139-I1147 HydrophobicContact CG-CD1 3.88Å; Y1139-I1147 HydrophobicContact CG-CG1 3.74Å; S1145-I1147 PolarHBondContact O-N 3.33Å; I1147-I1149 HydrophobicContact CG2-CG1 4.14Å; I1147-T1156 HydrophobicContact CG2-CG2 4.35Å
1148Y76.5Confident70.1Confident40 Ų4073.1 Ų73.116%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-90.4120.4161.6173.4-111.3000109.3C1150 T1156 I1157 L1162 K1170Y1148-C1150 HydrophobicContact CE1-CB 4.37Å; Y1148-T1156 WeakPolarHBondContact O-CA 3.34Å; Y1148-I1157 PolarHBondContact N-O 2.88Å; Y1148-I1157 PolarHBondContact O-N 3.13Å; Y1148-L1162 HydrophobicContact CD1-CD1 4.08Å; Y1148-L1162 HydrophobicContact CG-CD1 4.47Å; Y1148-L1162 HydrophobicContact CG-CD2 4.36Å; Y1148-K1170 HydrophobicContact CD2-CB 4.18Å; Y1148-K1170 HydrophobicContact CD2-CD 4.26Å; Y1148-K1170 HydrophobicContact CD2-CG 4Å; Y1148-K1170 HydrophobicContact CE1-CB 4.5Å; Y1148-K1170 HydrophobicContact CE2-CB 3.63Å; Y1148-K1170 HydrophobicContact CE2-CD 4.03Å; Y1148-K1170 HydrophobicContact CE2-CG 3.89Å; Y1148-K1170 PolarHBondContact OH-O 3.21Å; Y1148-K1170 VanDerWaalsContact OH-O 3.12Å
1149I73.7Confident70.2Confident65 Ų6571.2 Ų71.233%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-103.6120.2172-51.2-176.6000106.9I1130 I1147 T1155 T1156I1130-I1149 HydrophobicContact CD1-CD1 4.4Å; I1147-I1149 HydrophobicContact CG2-CG1 4.14Å; I1149-T1155 WeakPolarHBondContact CA-O 3.49Å; I1149-T1156 HydrophobicContact CB-CG2 4.38Å; I1149-T1156 HydrophobicContact CD1-CG2 4.42Å; I1149-T1156 HydrophobicContact CG1-CG2 3.88Å; I1149-T1156 HydrophobicContact CG2-CG2 4.17Å
1150C74.2Confident70.5Confident1 Ų176 Ų761%0.00736%0.362CS..PPolyproline II helixtrans-64.3129176179.80000110Y1148 Y1152 N1154 T1155 C1172Y1148-C1150 HydrophobicContact CE1-CB 4.37Å; C1150-Y1152 PolarHBondContact O-N 3.41Å; C1150-N1154 VanDerWaalsContact O-CA 3.23Å; C1150-N1154 WeakPolarHBondContact O-CA 3.38Å; C1150-N1154 PolarHBondContact O-N 2.73Å; C1150-T1155 WeakPolarHBondContact CB-OG1 3.22Å; C1150-T1155 PolarHBondContact N-O 3.06Å; C1150-C1172 HydrophobicContact CB-CB 3.85Å; C1150-C1172 WeakPolarHBondContact SG-CB 3.28Å
1151P69.5Low70.9Confident92 Ų9271 Ų7160%0.59734%0.341SS*.THydrogen-bonded Turntrans-68.8-19.2-178.427.2-34.9000114
1152Y68.7Low71.8Confident170 Ų17067.3 Ų67.367%0.66732%0.323SS*.THydrogen-bonded Turntrans-90.5-52.7-176.4-58.9-73.1000112.4C1150C1150-Y1152 PolarHBondContact O-N 3.41Å
1153D68.9Low72.6Confident35 Ų3567.3 Ų67.319%0.18732%0.317CS..THydrogen-bonded Turntrans-109.72.9-170.7-59.3-10.7000112.3Q1101 L1108 T1155 T1174 C1175Q1101-D1153 PolarHBondContact NE2-OD2 2.88Å; L1108-D1153 WeakPolarHBondContact CD1-O 3.23Å; D1153-T1155 HydrophobicContact CB-CG2 3.78Å; D1153-T1155 PolarHBondContact O-N 3.15Å; D1153-T1155 VanDerWaalsContact O-N 3.08Å; D1153-T1174 PolarHBondContact OD2-OG1 3.31Å; D1153-T1174 VanDerWaalsContact OD2-OG1 3.09Å; D1153-C1175 PolarHBondContact OD2-SG 3.41Å; D1153-C1175 VanDerWaalsContact OD2-SG 3.35Å
1154N69.4Low73.5Confident66 Ų6660.9 Ų60.935%0.35330%0.296SS..  trans54.822.1-174.2-73.4-27.2000114.9L1108 C1150L1108-N1154 HydrophobicContact CD1-CB 3.96Å; C1150-N1154 VanDerWaalsContact O-CA 3.23Å; C1150-N1154 WeakPolarHBondContact O-CA 3.38Å; C1150-N1154 PolarHBondContact O-N 2.73Å
1155T76.5Confident74.4Confident4 Ų457.2 Ų57.23%0.02528%0.282CS..  trans-73.4135.6179.955.40000110.3I1104 I1149 C1150 D1153 C1172 T1174I1104-T1155 HydrophobicContact CB-CG2 4.46Å; I1104-T1155 HydrophobicContact CD1-CG2 3.73Å; I1104-T1155 HydrophobicContact CG2-CG2 3.57Å; I1149-T1155 WeakPolarHBondContact CA-O 3.49Å; C1150-T1155 WeakPolarHBondContact CB-OG1 3.22Å; C1150-T1155 PolarHBondContact N-O 3.06Å; D1153-T1155 HydrophobicContact CB-CG2 3.78Å; D1153-T1155 PolarHBondContact O-N 3.15Å; D1153-T1155 VanDerWaalsContact O-N 3.08Å; T1155-C1172 PolarHBondContact OG1-SG 3.45Å; T1155-T1174 HydrophobicContact CG2-CG2 3.9Å; T1155-T1174 VanDerWaalsContact CG2-OG1 3.23Å; T1155-T1174 WeakPolarHBondContact CG2-OG1 3.45Å; T1155-T1174 PolarHBondContact OG1-OG1 3.04Å
1156T78.9Confident75Confident8 Ų857.2 Ų57.25%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-110.9126.6-171.559.20000111.1I1130 N1131 C1132 I1133 I1147 Y1148 I1149I1130-T1156 HydrophobicContact CB-CG2 4.27Å; I1130-T1156 HydrophobicContact CD1-CG2 4.15Å; I1130-T1156 HydrophobicContact CG2-CG2 3.5Å; I1130-T1156 VanDerWaalsContact CG2-CG2 3.5Å; I1130-T1156 VanDerWaalsContact CG2-OG1 3.27Å; I1130-T1156 WeakPolarHBondContact CG2-OG1 3.36Å; N1131-T1156 PolarHBondContact O-OG1 3.08Å; C1132-T1156 CarbonylContact C-O 3.55Å; C1132-T1156 WeakPolarHBondContact CA-O 3.47Å; I1133-T1156 PolarHBondContact N-O 2.62Å; I1147-T1156 HydrophobicContact CG2-CG2 4.35Å; Y1148-T1156 WeakPolarHBondContact O-CA 3.34Å; I1149-T1156 HydrophobicContact CB-CG2 4.38Å; I1149-T1156 HydrophobicContact CD1-CG2 4.42Å; I1149-T1156 HydrophobicContact CG1-CG2 3.88Å; I1149-T1156 HydrophobicContact CG2-CG2 4.17Å
1157I79Confident75.3Confident1 Ų157.1 Ų57.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-124.8124.8178.3-56.6175.2000106.4I1133 I1134 Y1148 C1161 L1162I1133-I1157 HydrophobicContact CG2-CG1 4.03Å; I1134-I1157 HydrophobicContact CD1-CG2 3.87Å; Y1148-I1157 PolarHBondContact N-O 2.88Å; Y1148-I1157 PolarHBondContact O-N 3.13Å; I1157-C1161 HydrophobicContact CG2-CB 4.01Å; I1157-L1162 HydrophobicContact CG2-CB 4.15Å; I1157-L1162 HydrophobicContact CG2-CD1 4.23Å
1158C82.1Confident75.3Confident1 Ų160 Ų601%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-68.9149.5174.172.80000110.5C1132 Y1139 Y1160 C1161 L1162C1132-C1158 HydrophobicContact CB-CB 3.97Å; C1132-C1158 PolarHBondContact SG-N 3.27Å; Y1139-C1158 HydrophobicContact CD2-CB 4.32Å; Y1139-C1158 HydrophobicContact CE1-CB 4.34Å; Y1139-C1158 HydrophobicContact CE2-CB 3.35Å; Y1139-C1158 WeakPolarHBondContact OH-CB 3.33Å; C1158-Y1160 PolarHBondContact O-N 2.87Å; C1158-C1161 PolarHBondContact O-N 3.47Å; C1158-C1161 PolarHBondContact SG-N 2.9Å; C1158-C1161 PolarHBondContact SG-SG 3.2Å; C1158-L1162 PolarHBondContact O-N 3.46Å
1159Q79.9Confident75.3Confident77 Ų7763.9 Ų63.936%0.3632%0.318SS..Hα-helixtrans-57.1-36.6-176.3-174.9164.4-21.500112.4F1146 C1161 L1162 I1163F1146-Q1159 HydrophobicContact CB-CB 4.03Å; F1146-Q1159 WeakPolarHBondContact O-CB 3.25Å; F1146-Q1159 PolarHBondContact O-N 2.96Å; Q1159-C1161 PolarHBondContact O-N 2.74Å; Q1159-L1162 WeakPolarHBondContact O-CB 3.49Å; Q1159-L1162 PolarHBondContact O-N 3.49Å; Q1159-I1163 HydrophobicContact CG-CD1 3.83Å; Q1159-I1163 HydrophobicContact CG-CG1 4.35Å; Q1159-I1163 VanDerWaalsContact O-CG1 3.28Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.17Å; Q1159-I1163 PolarHBondContact O-N 3.43Å
1160Y77.7Confident75.4Confident162 Ų16268.5 Ų68.564%0.63534%0.336SS*.Hα-helixtrans-58.9-48.7174.8-178.1-97000112.2C1158 L1162 I1163 T1164C1158-Y1160 PolarHBondContact O-N 2.87Å; Y1160-L1162 VanDerWaalsContact C-N 3.31Å; Y1160-L1162 PolarHBondContact O-N 2.8Å; Y1160-I1163 PolarHBondContact O-N 3.23Å; Y1160-T1164 WeakPolarHBondContact O-CB 3.44Å; Y1160-T1164 PolarHBondContact O-N 2.91Å; Y1160-T1164 PolarHBondContact O-OG1 3.39Å
1161C78.3Confident75.3Confident10 Ų1071.4 Ų71.47%0.06835%0.351CS..Hα-helixtrans-68-32.7176.8-66.80000112.3I1134 I1157 C1158 Q1159 L1165I1134-C1161 HydrophobicContact CB-CB 4.19Å; I1134-C1161 HydrophobicContact CD1-CB 3.98Å; I1134-C1161 HydrophobicContact CG2-CB 4.31Å; I1157-C1161 HydrophobicContact CG2-CB 4.01Å; C1158-C1161 PolarHBondContact O-N 3.47Å; C1158-C1161 PolarHBondContact SG-N 2.9Å; C1158-C1161 PolarHBondContact SG-SG 3.2Å; Q1159-C1161 PolarHBondContact O-N 2.74Å; C1161-L1165 WeakPolarHBondContact O-CB 3.39Å; C1161-L1165 PolarHBondContact O-N 2.91Å
1162L78.8Confident75.5Confident7 Ų767.3 Ų67.34%0.03732%0.324CS..Hα-helixtrans-64.7-45.8176.6-166.176.8000111.4Y1148 I1157 C1158 Q1159 Y1160 F1166 N1167 N1168 H1169Y1148-L1162 HydrophobicContact CD1-CD1 4.08Å; Y1148-L1162 HydrophobicContact CG-CD1 4.47Å; Y1148-L1162 HydrophobicContact CG-CD2 4.36Å; I1157-L1162 HydrophobicContact CG2-CB 4.15Å; I1157-L1162 HydrophobicContact CG2-CD1 4.23Å; C1158-L1162 PolarHBondContact O-N 3.46Å; Q1159-L1162 WeakPolarHBondContact O-CB 3.49Å; Q1159-L1162 PolarHBondContact O-N 3.49Å; Y1160-L1162 VanDerWaalsContact C-N 3.31Å; Y1160-L1162 PolarHBondContact O-N 2.8Å; L1162-F1166 HydrophobicContact CD1-CB 4.49Å; L1162-F1166 HydrophobicContact CD1-CD2 4.12Å; L1162-F1166 CarbonylContact O-C 3.55Å; L1162-F1166 WeakPolarHBondContact O-CA 3.09Å; L1162-F1166 WeakPolarHBondContact O-CB 3.12Å; L1162-F1166 PolarHBondContact O-N 3.4Å; L1162-N1167 PolarHBondContact O-N 3.37Å; L1162-N1168 PolarHBondContact O-N 3.01Å; L1162-H1169 WeakPolarHBondContact CD1-O 3.5Å
1163I76.8Confident75.6Confident76 Ų7661.1 Ų61.139%0.3930%0.302SS..Hα-helixtrans-63-49.3175.8-67.2165.7000109.9Q1159 Y1160 L1165 N1167 N1168Q1159-I1163 HydrophobicContact CG-CD1 3.83Å; Q1159-I1163 HydrophobicContact CG-CG1 4.35Å; Q1159-I1163 VanDerWaalsContact O-CG1 3.28Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.17Å; Q1159-I1163 PolarHBondContact O-N 3.43Å; Y1160-I1163 PolarHBondContact O-N 3.23Å; I1163-L1165 PolarHBondContact O-N 3.49Å; I1163-N1167 VanDerWaalsContact O-CA 3.31Å; I1163-N1167 WeakPolarHBondContact O-CA 3.42Å; I1163-N1167 PolarHBondContact O-N 2.85Å; I1163-N1167 VanDerWaalsContact O-N 3.1Å; I1163-N1168 HydrophobicContact CG1-CB 4.06Å; I1163-N1168 VanDerWaalsContact CG1-OD1 3.3Å; I1163-N1168 WeakPolarHBondContact CG1-OD1 3.28Å
1164T74.3Confident75.7Confident90 Ų9059.5 Ų59.555%0.55229%0.294SS*.Hα-helixtrans-67.7-36-172.7-48.20000113Y1160Y1160-T1164 WeakPolarHBondContact O-CB 3.44Å; Y1160-T1164 PolarHBondContact O-N 2.91Å; Y1160-T1164 PolarHBondContact O-OG1 3.39Å
1165L73.5Confident75.7Confident100 Ų10057.6 Ų57.652%0.52429%0.285SS..Hα-helixtrans-102.3-31.5-174.2-68.7165.5000114I1134 C1161 I1163I1134-L1165 HydrophobicContact CD1-CD1 3.51Å; I1134-L1165 HydrophobicContact CG2-CD1 3.78Å; C1161-L1165 WeakPolarHBondContact O-CB 3.39Å; C1161-L1165 PolarHBondContact O-N 2.91Å; I1163-L1165 PolarHBondContact O-N 3.49Å
1166F72Confident75.3Confident35 Ų3563.3 Ų63.315%0.15432%0.315CS..Hα-helixtrans-120.112.5-173.6-57.8-71000112.8I1134 L1162 N1168 H1169 I1171 I1173I1134-F1166 HydrophobicContact CD1-CE2 4.34Å; L1162-F1166 HydrophobicContact CD1-CB 4.49Å; L1162-F1166 HydrophobicContact CD1-CD2 4.12Å; L1162-F1166 CarbonylContact O-C 3.55Å; L1162-F1166 WeakPolarHBondContact O-CA 3.09Å; L1162-F1166 WeakPolarHBondContact O-CB 3.12Å; L1162-F1166 PolarHBondContact O-N 3.4Å; F1166-N1168 PolarHBondContact O-N 3.17Å; F1166-N1168 VanDerWaalsContact O-N 3.08Å; F1166-H1169 HydrophobicContact CB-CB 4.46Å; F1166-H1169 WeakPolarHBondContact CB-O 3.4Å; F1166-H1169 VanDerWaalsContact O-CB 3.24Å; F1166-H1169 WeakPolarHBondContact O-CB 3.42Å; F1166-H1169 PolarHBondContact O-CD2 3.28Å; F1166-H1169 PolarHBondContact O-N 3.33Å; F1166-I1171 HydrophobicContact CD1-CB 4.02Å; F1166-I1171 HydrophobicContact CD1-CD1 4.24Å; F1166-I1171 HydrophobicContact CD1-CG2 4.26Å; F1166-I1171 HydrophobicContact CE1-CG2 4.38Å; F1166-I1171 HydrophobicContact CG-CB 4.3Å; F1166-I1173 HydrophobicContact CE1-CG1 4.32Å; F1166-I1173 HydrophobicContact CE2-CD1 3.86Å; F1166-I1173 HydrophobicContact CE2-CG1 3.78Å; F1166-I1173 HydrophobicContact CZ-CD1 3.69Å; F1166-I1173 HydrophobicContact CZ-CG1 3.31Å
1167N77.8Confident74.5Confident136 Ų13664.1 Ų64.173%0.72732%0.319SS*.THydrogen-bonded Turntrans51.136.4-178.1-12811.9000112.5L1162 I1163 H1169L1162-N1167 PolarHBondContact O-N 3.37Å; I1163-N1167 VanDerWaalsContact O-CA 3.31Å; I1163-N1167 WeakPolarHBondContact O-CA 3.42Å; I1163-N1167 PolarHBondContact O-N 2.85Å; I1163-N1167 VanDerWaalsContact O-N 3.1Å; N1167-H1169 PolarHBondContact O-N 3.34Å
1168N74.2Confident73.4Confident83 Ų8368.6 Ų68.644%0.44434%0.336SS..THydrogen-bonded Turntrans68.36.8-176.7-139.424.7000115.6L1162 I1163 F1166 K1170L1162-N1168 PolarHBondContact O-N 3.01Å; I1163-N1168 HydrophobicContact CG1-CB 4.06Å; I1163-N1168 VanDerWaalsContact CG1-OD1 3.3Å; I1163-N1168 WeakPolarHBondContact CG1-OD1 3.28Å; F1166-N1168 PolarHBondContact O-N 3.17Å; F1166-N1168 VanDerWaalsContact O-N 3.08Å; N1168-K1170 PolarHBondContact O-N 2.65Å
1169H78Confident72.3Confident122 Ų12271.2 Ų71.257%0.56535%0.35SS*.  trans-64.4131.2167.1-64.5-65.9000109.5L1162 F1166 N1167 I1171L1162-H1169 WeakPolarHBondContact CD1-O 3.5Å; F1166-H1169 HydrophobicContact CB-CB 4.46Å; F1166-H1169 WeakPolarHBondContact CB-O 3.4Å; F1166-H1169 VanDerWaalsContact O-CB 3.24Å; F1166-H1169 WeakPolarHBondContact O-CB 3.42Å; F1166-H1169 PolarHBondContact O-CD2 3.28Å; F1166-H1169 PolarHBondContact O-N 3.33Å; N1167-H1169 PolarHBondContact O-N 3.34Å; H1169-I1171 HydrophobicContact CB-CD1 3.68Å; H1169-I1171 HydrophobicContact CB-CG1 3.8Å; H1169-I1171 PolarHBondContact O-N 3.34Å
1170K73.9Confident71.3Confident163 Ų16375.5 Ų75.571%0.70936%0.364SS*.  trans-73.257.8179.4-68-178.7-177.5176.80111.4Y1148 N1168Y1148-K1170 HydrophobicContact CD2-CB 4.18Å; Y1148-K1170 HydrophobicContact CD2-CD 4.26Å; Y1148-K1170 HydrophobicContact CD2-CG 4Å; Y1148-K1170 HydrophobicContact CE1-CB 4.5Å; Y1148-K1170 HydrophobicContact CE2-CB 3.63Å; Y1148-K1170 HydrophobicContact CE2-CD 4.03Å; Y1148-K1170 HydrophobicContact CE2-CG 3.89Å; Y1148-K1170 PolarHBondContact OH-O 3.21Å; Y1148-K1170 VanDerWaalsContact OH-O 3.12Å; N1168-K1170 PolarHBondContact O-N 2.65Å
1171I72.2Confident70.4Confident62 Ų6274.5 Ų74.532%0.31837%0.365SS..  trans-96.4136.1-179.5-58.8170.3000108.5F1166 H1169 L1176F1166-I1171 HydrophobicContact CD1-CB 4.02Å; F1166-I1171 HydrophobicContact CD1-CD1 4.24Å; F1166-I1171 HydrophobicContact CD1-CG2 4.26Å; F1166-I1171 HydrophobicContact CE1-CG2 4.38Å; F1166-I1171 HydrophobicContact CG-CB 4.3Å; H1169-I1171 HydrophobicContact CB-CD1 3.68Å; H1169-I1171 HydrophobicContact CB-CG1 3.8Å; H1169-I1171 PolarHBondContact O-N 3.34Å; I1171-L1176 HydrophobicContact CG2-CD1 3.71Å; I1171-L1176 HydrophobicContact CG2-CD2 4.24Å; I1171-L1176 HydrophobicContact CG2-CG 3.98Å
1172C74.4Confident69.2Low6 Ų678.4 Ų78.44%0.04138%0.381CS..  trans-103.5117.5176.6173.30000109.8C1150 T1155 T1174 C1175 L1176C1150-C1172 HydrophobicContact CB-CB 3.85Å; C1150-C1172 WeakPolarHBondContact SG-CB 3.28Å; T1155-C1172 PolarHBondContact OG1-SG 3.45Å; C1172-T1174 PolarHBondContact O-N 3.3Å; C1172-T1174 VanDerWaalsContact O-N 3.09Å; C1172-T1174 PolarHBondContact SG-N 2.94Å; C1172-T1174 PolarHBondContact SG-OG1 2.98Å; C1172-C1175 HydrophobicContact CB-CB 3.92Å; C1172-C1175 PolarHBondContact O-N 3.45Å; C1172-C1175 VanDerWaalsContact O-N 3.13Å; C1172-C1175 PolarHBondContact SG-N 2.86Å; C1172-L1176 PolarHBondContact O-N 2.8Å; C1172-L1176 VanDerWaalsContact O-N 3.17Å
1173I71.8Confident67.9Low39 Ų3980.3 Ų80.320%0.239%0.391CS..Hα-helixtrans-52.6-34.3178.2-66172.1000111.7L1100 I1134 F1166 L1176 D1177L1100-I1173 HydrophobicContact CD2-CG2 4.29Å; I1134-I1173 HydrophobicContact CD1-CD1 3.47Å; I1134-I1173 VanDerWaalsContact CD1-CD1 3.47Å; I1134-I1173 HydrophobicContact CG1-CD1 3.93Å; F1166-I1173 HydrophobicContact CE1-CG1 4.32Å; F1166-I1173 HydrophobicContact CE2-CD1 3.86Å; F1166-I1173 HydrophobicContact CE2-CG1 3.78Å; F1166-I1173 HydrophobicContact CZ-CD1 3.69Å; F1166-I1173 HydrophobicContact CZ-CG1 3.31Å; I1173-L1176 WeakPolarHBondContact O-CB 3.42Å; I1173-L1176 PolarHBondContact O-N 3.32Å; I1173-D1177 PolarHBondContact O-N 2.87Å
1174T69.7Low67.1Low1 Ų183.1 Ų83.11%0.00640%0.4CS..Hα-helixtrans-85.7-24.4-172.466.40000112.4L1100 I1104 I1133 D1153 T1155 C1172 L1176 D1177L1100-T1174 HydrophobicContact CD2-CG2 3.42Å; L1100-T1174 VanDerWaalsContact CD2-CG2 3.42Å; L1100-T1174 HydrophobicContact CG-CG2 3.96Å; I1104-T1174 HydrophobicContact CD1-CG2 3.06Å; I1133-T1174 HydrophobicContact CD1-CG2 4.15Å; D1153-T1174 PolarHBondContact OD2-OG1 3.31Å; D1153-T1174 VanDerWaalsContact OD2-OG1 3.09Å; T1155-T1174 HydrophobicContact CG2-CG2 3.9Å; T1155-T1174 VanDerWaalsContact CG2-OG1 3.23Å; T1155-T1174 WeakPolarHBondContact CG2-OG1 3.45Å; T1155-T1174 PolarHBondContact OG1-OG1 3.04Å; C1172-T1174 PolarHBondContact O-N 3.3Å; C1172-T1174 VanDerWaalsContact O-N 3.09Å; C1172-T1174 PolarHBondContact SG-N 2.94Å; C1172-T1174 PolarHBondContact SG-OG1 2.98Å; T1174-L1176 VanDerWaalsContact C-N 3.34Å; T1174-D1177 PolarHBondContact O-N 2.67Å
1175C69.5Low66.4Low27 Ų2784.8 Ų84.818%0.18240%0.402CS..Hα-helixtrans-75.5-25.1169.1-65.10000112.1D1153 C1172 D1177 R1178D1153-C1175 PolarHBondContact OD2-SG 3.41Å; D1153-C1175 VanDerWaalsContact OD2-SG 3.35Å; C1172-C1175 HydrophobicContact CB-CB 3.92Å; C1172-C1175 PolarHBondContact O-N 3.45Å; C1172-C1175 VanDerWaalsContact O-N 3.13Å; C1172-C1175 PolarHBondContact SG-N 2.86Å; C1175-D1177 VanDerWaalsContact C-N 3.29Å; C1175-R1178 VanDerWaalsContact O-CG 3.3Å; C1175-R1178 WeakPolarHBondContact O-CG 3.42Å
1176L67.8Low65.6Low124 Ų12484.2 Ų84.265%0.64940%0.398SS*.Hα-helixtrans-67.7-30.6171.7-68.8172.4000112I1171 C1172 I1173 T1174 R1178I1171-L1176 HydrophobicContact CG2-CD1 3.71Å; I1171-L1176 HydrophobicContact CG2-CD2 4.24Å; I1171-L1176 HydrophobicContact CG2-CG 3.98Å; C1172-L1176 PolarHBondContact O-N 2.8Å; C1172-L1176 VanDerWaalsContact O-N 3.17Å; I1173-L1176 WeakPolarHBondContact O-CB 3.42Å; I1173-L1176 PolarHBondContact O-N 3.32Å; T1174-L1176 VanDerWaalsContact C-N 3.34Å; L1176-R1178 PolarHBondContact O-N 3.26Å
1177D63.4Low65.2Low24 Ų2486.4 Ų86.413%0.12841%0.412CS..THydrogen-bonded Turntrans-79.913.4179.1-15948.5000113.7S1095 L1100 I1173 T1174 C1175 N1179S1095-D1177 WeakPolarHBondContact CA-OD1 3.38Å; S1095-D1177 WeakPolarHBondContact CA-OD2 3.32Å; S1095-D1177 WeakPolarHBondContact CB-OD1 3.5Å; S1095-D1177 PolarHBondContact OG-OD1 2.85Å; L1100-D1177 VanDerWaalsContact CB-OD2 3.32Å; L1100-D1177 WeakPolarHBondContact CB-OD2 3.23Å; L1100-D1177 HydrophobicContact CD2-CB 4.16Å; I1173-D1177 PolarHBondContact O-N 2.87Å; T1174-D1177 PolarHBondContact O-N 2.67Å; C1175-D1177 VanDerWaalsContact C-N 3.29Å; D1177-N1179 PolarHBondContact O-N 3.38Å
1178R56Low64.7Low96 Ų9687.4 Ų87.436%0.36241%0.41SS..  trans-63104.9-179-83.1178.8178-174.12.3110C1175 L1176 Y1180 L1183C1175-R1178 VanDerWaalsContact O-CG 3.3Å; C1175-R1178 WeakPolarHBondContact O-CG 3.42Å; L1176-R1178 PolarHBondContact O-N 3.26Å; R1178-Y1180 PolarHBondContact O-N 3.5Å; R1178-L1183 HydrophobicContact CB-CD1 3.92Å; R1178-L1183 HydrophobicContact CB-CG 4.49Å
1179N57.7Low64.1Low56 Ų5688.1 Ų88.130%0.29941%0.413SS..  trans-51.2115164-180-8.4000108.5D1177 E1181 K1182 L1183D1177-N1179 PolarHBondContact O-N 3.38Å; N1179-E1181 PolarHBondContact O-N 2.78Å; N1179-E1181 VanDerWaalsContact O-N 3.12Å; N1179-E1181 WeakPolarHBondContact OD1-CB 3.48Å; N1179-E1181 PolarHBondContact OD1-N 3.48Å; N1179-E1181 VanDerWaalsContact OD1-N 3.07Å; N1179-K1182 HydrophobicContact CB-CB 4.48Å; N1179-K1182 WeakPolarHBondContact O-CB 3.44Å; N1179-K1182 PolarHBondContact O-N 2.94Å; N1179-L1183 PolarHBondContact O-N 3.38Å
1180Y58.6Low63.3Low167 Ų16786 Ų8666%0.65541%0.405SS*.Hα-helixtrans-53.5-32.8-177.1-175.9-99.9000112.3R1178 L1183 K1184R1178-Y1180 PolarHBondContact O-N 3.5Å; Y1180-L1183 WeakPolarHBondContact O-CA 3.45Å; Y1180-L1183 VanDerWaalsContact O-CB 3.24Å; Y1180-L1183 WeakPolarHBondContact O-CB 3.37Å; Y1180-L1183 PolarHBondContact O-N 2.78Å; Y1180-K1184 HydrophobicContact CE1-CD 4.35Å; Y1180-K1184 PolarHBondContact O-N 3.24Å
1181E59Low62.9Low140 Ų14083 Ų8365%0.65440%0.396SS*.Hα-helixtrans-65.2-44.3176.6-65.9-174.2151.600112.4N1179 L1183 K1184 Q1185N1179-E1181 PolarHBondContact O-N 2.78Å; N1179-E1181 VanDerWaalsContact O-N 3.12Å; N1179-E1181 WeakPolarHBondContact OD1-CB 3.48Å; N1179-E1181 PolarHBondContact OD1-N 3.48Å; N1179-E1181 VanDerWaalsContact OD1-N 3.07Å; E1181-L1183 VanDerWaalsContact C-N 3.27Å; E1181-L1183 PolarHBondContact O-N 3.46Å; E1181-K1184 WeakPolarHBondContact O-CB 3.23Å; E1181-K1184 PolarHBondContact O-N 2.92Å; E1181-Q1185 PolarHBondContact O-N 3.23Å
1182K53Low62.4Low92 Ų9282.2 Ų82.240%0.440%0.399SS..Hα-helixtrans-64.4-34.9172-96.5-176.7176.9176.10111.4N1179 K1184 Q1185 I1186N1179-K1182 HydrophobicContact CB-CB 4.48Å; N1179-K1182 WeakPolarHBondContact O-CB 3.44Å; N1179-K1182 PolarHBondContact O-N 2.94Å; K1182-K1184 VanDerWaalsContact C-N 3.34Å; K1182-Q1185 PolarHBondContact O-N 2.98Å; K1182-I1186 WeakPolarHBondContact O-CB 3.45Å; K1182-I1186 VanDerWaalsContact O-CG1 3.31Å; K1182-I1186 WeakPolarHBondContact O-CG1 3.5Å; K1182-I1186 PolarHBondContact O-N 2.97Å
1183L51.3Low61.7Low48 Ų4887 Ų8725%0.25142%0.424SS..Hα-helixtrans-61.4-43.7173.8-128.3165.7000110.8R1178 N1179 Y1180 E1181 Q1185 N1187R1178-L1183 HydrophobicContact CB-CD1 3.92Å; R1178-L1183 HydrophobicContact CB-CG 4.49Å; N1179-L1183 PolarHBondContact O-N 3.38Å; Y1180-L1183 WeakPolarHBondContact O-CA 3.45Å; Y1180-L1183 VanDerWaalsContact O-CB 3.24Å; Y1180-L1183 WeakPolarHBondContact O-CB 3.37Å; Y1180-L1183 PolarHBondContact O-N 2.78Å; E1181-L1183 VanDerWaalsContact C-N 3.27Å; E1181-L1183 PolarHBondContact O-N 3.46Å; L1183-Q1185 VanDerWaalsContact C-N 3.3Å; L1183-Q1185 PolarHBondContact O-N 3.43Å; L1183-N1187 WeakPolarHBondContact O-CB 3.27Å; L1183-N1187 PolarHBondContact O-N 2.85Å
1184K60.8Low61.3Low134 Ų13491.6 Ų91.658%0.58344%0.442SS*.Hα-helixtrans-59-41.3172.2-114.2179.6-179.8179.20111.6Y1180 E1181 K1182 K1188Y1180-K1184 HydrophobicContact CE1-CD 4.35Å; Y1180-K1184 PolarHBondContact O-N 3.24Å; E1181-K1184 WeakPolarHBondContact O-CB 3.23Å; E1181-K1184 PolarHBondContact O-N 2.92Å; K1182-K1184 VanDerWaalsContact C-N 3.34Å; K1184-K1188 VanDerWaalsContact O-CB 3.28Å; K1184-K1188 WeakPolarHBondContact O-CB 3.32Å; K1184-K1188 WeakPolarHBondContact O-CG 3.38Å; K1184-K1188 PolarHBondContact O-N 2.97Å
1185Q59.9Low60.9Low126 Ų12696.9 Ų96.959%0.58947%0.467SS*.Hα-helixtrans-76.4-41.5-176.9-149.1154.412.700112.9E1181 K1182 L1183 K1188 N1189E1181-Q1185 PolarHBondContact O-N 3.23Å; K1182-Q1185 PolarHBondContact O-N 2.98Å; L1183-Q1185 VanDerWaalsContact C-N 3.3Å; L1183-Q1185 PolarHBondContact O-N 3.43Å; Q1185-K1188 PolarHBondContact O-N 3.23Å; Q1185-N1189 WeakPolarHBondContact O-CB 3.24Å; Q1185-N1189 VanDerWaalsContact O-CG 3.25Å; Q1185-N1189 PolarHBondContact O-N 2.02Å; Q1185-N1189 PolarHBondContact O-OD1 3.2Å
1186I57.4Low60.3Low88 Ų88103 Ų10345%0.45149%0.491SS..Hα-helixtrans-66.9-44.4173.3-66.9168.7000110.1K1182 K1188 N1189 I1190K1182-I1186 WeakPolarHBondContact O-CB 3.45Å; K1182-I1186 VanDerWaalsContact O-CG1 3.31Å; K1182-I1186 WeakPolarHBondContact O-CG1 3.5Å; K1182-I1186 PolarHBondContact O-N 2.97Å; I1186-K1188 VanDerWaalsContact C-N 3.33Å; I1186-K1188 PolarHBondContact O-N 3.42Å; I1186-N1189 CarbonylContact O-C 3.51Å; I1186-N1189 PolarHBondContact O-N 2.84Å; I1186-N1189 VanDerWaalsContact O-N 3.14Å; I1186-I1190 HydrophobicContact CG2-CD1 3.71Å; I1186-I1190 HydrophobicContact CG2-CG1 4.22Å; I1186-I1190 WeakPolarHBondContact O-CB 3.22Å; I1186-I1190 WeakPolarHBondContact O-CG1 3.02Å; I1186-I1190 PolarHBondContact O-N 3.44Å
1187N63.9Low59.6Low80 Ų80101.4 Ų101.443%0.42848%0.483SS..Hα-helixtrans-64-38.8175.1-85.9-7.8000111.5L1183 N1189 I1190 L1191L1183-N1187 WeakPolarHBondContact O-CB 3.27Å; L1183-N1187 PolarHBondContact O-N 2.85Å; N1187-N1189 VanDerWaalsContact C-N 3.33Å; N1187-N1189 PolarHBondContact O-N 2.93Å; N1187-I1190 PolarHBondContact O-N 3.36Å; N1187-L1191 VanDerWaalsContact O-CB 3.23Å; N1187-L1191 WeakPolarHBondContact O-CB 3.06Å; N1187-L1191 PolarHBondContact O-N 2.89Å
1188K65.7Low59Low158 Ų158107 Ų10769%0.68751%0.506SS*.Hα-helixtrans-59.6-43.1170.6-93-171.9171.8-173.70111.7K1184 Q1185 I1186 L1191 A1192K1184-K1188 VanDerWaalsContact O-CB 3.28Å; K1184-K1188 WeakPolarHBondContact O-CB 3.32Å; K1184-K1188 WeakPolarHBondContact O-CG 3.38Å; K1184-K1188 PolarHBondContact O-N 2.97Å; Q1185-K1188 PolarHBondContact O-N 3.23Å; I1186-K1188 VanDerWaalsContact C-N 3.33Å; I1186-K1188 PolarHBondContact O-N 3.42Å; K1188-L1191 PolarHBondContact O-N 3.35Å; K1188-A1192 WeakPolarHBondContact O-CB 3.46Å; K1188-A1192 PolarHBondContact O-N 2.9Å
1189N62.2Low58.8Low98 Ų98109.7 Ų109.752%0.52452%0.521SS..Hα-helixtrans-68-39.2177.8-71.9-8000112.4Q1185 I1186 N1187 A1192 L1193Q1185-N1189 WeakPolarHBondContact O-CB 3.24Å; Q1185-N1189 VanDerWaalsContact O-CG 3.25Å; Q1185-N1189 PolarHBondContact O-N 2.02Å; Q1185-N1189 PolarHBondContact O-OD1 3.2Å; I1186-N1189 CarbonylContact O-C 3.51Å; I1186-N1189 PolarHBondContact O-N 2.84Å; I1186-N1189 VanDerWaalsContact O-N 3.14Å; N1187-N1189 VanDerWaalsContact C-N 3.33Å; N1187-N1189 PolarHBondContact O-N 2.93Å; N1189-A1192 PolarHBondContact O-N 3.26Å; N1189-L1193 VanDerWaalsContact O-CB 3.3Å; N1189-L1193 WeakPolarHBondContact O-CB 3.26Å; N1189-L1193 VanDerWaalsContact O-CG 3.27Å; N1189-L1193 WeakPolarHBondContact O-CG 3.33Å; N1189-L1193 PolarHBondContact O-N 3.03Å
1190I60.7Low58.3Low77 Ų77116.4 Ų116.440%0.39554%0.542SS..Hα-helixtrans-68.3-41.8175.6-68.7171.7000110.4I1186 N1187 L1193 K1194I1186-I1190 HydrophobicContact CG2-CD1 3.71Å; I1186-I1190 HydrophobicContact CG2-CG1 4.22Å; I1186-I1190 WeakPolarHBondContact O-CB 3.22Å; I1186-I1190 WeakPolarHBondContact O-CG1 3.02Å; I1186-I1190 PolarHBondContact O-N 3.44Å; N1187-I1190 PolarHBondContact O-N 3.36Å; I1190-L1193 PolarHBondContact O-N 3.36Å; I1190-K1194 HydrophobicContact CG2-CD 4.38Å; I1190-K1194 HydrophobicContact CG2-CG 4.45Å; I1190-K1194 VanDerWaalsContact O-CB 3.32Å; I1190-K1194 WeakPolarHBondContact O-CB 3.38Å; I1190-K1194 WeakPolarHBondContact O-CG 3.41Å; I1190-K1194 PolarHBondContact O-N 3.34Å
1191L66.3Low58Low99 Ų99114.7 Ų114.752%0.51854%0.543SS..Hα-helixtrans-61.3-47.6172.8-90.4153.3000110.3N1187 K1188 L1193 K1194 E1195N1187-L1191 VanDerWaalsContact O-CB 3.23Å; N1187-L1191 WeakPolarHBondContact O-CB 3.06Å; N1187-L1191 PolarHBondContact O-N 2.89Å; K1188-L1191 PolarHBondContact O-N 3.35Å; L1191-L1193 VanDerWaalsContact C-N 3.32Å; L1191-L1193 PolarHBondContact O-N 3.09Å; L1191-K1194 CarbonylContact O-C 3.55Å; L1191-K1194 PolarHBondContact O-N 3.32Å; L1191-E1195 WeakPolarHBondContact O-CB 3.14Å; L1191-E1195 WeakPolarHBondContact O-CG 3.25Å; L1191-E1195 PolarHBondContact O-N 3Å
1192A62Low57.5Low46 Ų46114.2 Ų114.238%0.3855%0.545SS..Hα-helixtrans-62.8-35.7176.600000112.7K1188 N1189 K1196K1188-A1192 WeakPolarHBondContact O-CB 3.46Å; K1188-A1192 PolarHBondContact O-N 2.9Å; N1189-A1192 PolarHBondContact O-N 3.26Å; A1192-K1196 WeakPolarHBondContact O-CB 3.47Å; A1192-K1196 PolarHBondContact O-N 2.93Å
1193L58.7Low56.8Low106 Ų106120.1 Ų120.156%0.55557%0.573SS**Hα-helixtrans-72.2-38.8173.9-79.2167.9000112.1N1189 I1190 L1191 K1196 N1197N1189-L1193 VanDerWaalsContact O-CB 3.3Å; N1189-L1193 WeakPolarHBondContact O-CB 3.26Å; N1189-L1193 VanDerWaalsContact O-CG 3.27Å; N1189-L1193 WeakPolarHBondContact O-CG 3.33Å; N1189-L1193 PolarHBondContact O-N 3.03Å; I1190-L1193 PolarHBondContact O-N 3.36Å; L1191-L1193 VanDerWaalsContact C-N 3.32Å; L1191-L1193 PolarHBondContact O-N 3.09Å; L1193-K1196 PolarHBondContact O-N 3.46Å; L1193-N1197 WeakPolarHBondContact O-CB 3.37Å; L1193-N1197 PolarHBondContact O-N 2.95Å
1194K63.3Low57.1Low136 Ų136123.7 Ų123.759%0.59159%0.589SS**Hα-helixtrans-66.9-42174.6-82.8-172.9174.7-172.50111.1I1190 L1191 N1197 F1198I1190-K1194 HydrophobicContact CG2-CD 4.38Å; I1190-K1194 HydrophobicContact CG2-CG 4.45Å; I1190-K1194 VanDerWaalsContact O-CB 3.32Å; I1190-K1194 WeakPolarHBondContact O-CB 3.38Å; I1190-K1194 WeakPolarHBondContact O-CG 3.41Å; I1190-K1194 PolarHBondContact O-N 3.34Å; L1191-K1194 CarbonylContact O-C 3.55Å; L1191-K1194 PolarHBondContact O-N 3.32Å; K1194-N1197 CarbonylContact O-C 3.53Å; K1194-N1197 PolarHBondContact O-N 3.2Å; K1194-F1198 WeakPolarHBondContact O-CB 3.26Å; K1194-F1198 PolarHBondContact O-N 3.05Å
1195E62.2Low56.9Low113 Ų113123.2 Ų123.253%0.52859%0.59SS.*Hα-helixtrans-61.8-47.9172.5-76.2173177.800110L1191 N1197 F1198 F1199L1191-E1195 WeakPolarHBondContact O-CB 3.14Å; L1191-E1195 WeakPolarHBondContact O-CG 3.25Å; L1191-E1195 PolarHBondContact O-N 3Å; E1195-N1197 VanDerWaalsContact C-N 3.29Å; E1195-N1197 PolarHBondContact O-N 3.27Å; E1195-F1198 PolarHBondContact O-N 2.8Å; E1195-F1198 VanDerWaalsContact O-N 3.15Å; E1195-F1199 WeakPolarHBondContact O-CD2 3.48Å; E1195-F1199 PolarHBondContact O-N 3.18Å
1196K56.3Low56.8Low155 Ų155123 Ų12367%0.67459%0.59SS**Hα-helixtrans-57.8-39173.6-95.6-174.5172.4-1800113.3A1192 L1193 R1200A1192-K1196 WeakPolarHBondContact O-CB 3.47Å; A1192-K1196 PolarHBondContact O-N 2.93Å; L1193-K1196 PolarHBondContact O-N 3.46Å; K1196-R1200 WeakPolarHBondContact O-CB 3.45Å; K1196-R1200 PolarHBondContact O-N 2.87Å; K1196-R1200 VanDerWaalsContact O-N 3.13Å
1197N53Low56.7Low90 Ų90125.1 Ų125.148%0.48160%0.598SS.*Hα-helixtrans-74.8-34.2177.1-80.1-11.2000112.2L1193 K1194 E1195 R1200 I1201L1193-N1197 WeakPolarHBondContact O-CB 3.37Å; L1193-N1197 PolarHBondContact O-N 2.95Å; K1194-N1197 CarbonylContact O-C 3.53Å; K1194-N1197 PolarHBondContact O-N 3.2Å; E1195-N1197 VanDerWaalsContact C-N 3.29Å; E1195-N1197 PolarHBondContact O-N 3.27Å; N1197-R1200 CarbonylContact O-C 2.86Å; N1197-R1200 PolarHBondContact O-N 3.43Å; N1197-I1201 WeakPolarHBondContact O-CD1 3.22Å; N1197-I1201 VanDerWaalsContact O-CG1 3.28Å; N1197-I1201 WeakPolarHBondContact O-CG1 3.38Å; N1197-I1201 PolarHBondContact O-N 3.09Å
1198F51.7Low56.3Low143 Ų143127.9 Ų127.963%0.62761%0.608SS**Hα-helixtrans-66.1-41.9173.2-114.7-86.6000111.2K1194 E1195 R1200 I1201 N1202K1194-F1198 WeakPolarHBondContact O-CB 3.26Å; K1194-F1198 PolarHBondContact O-N 3.05Å; E1195-F1198 PolarHBondContact O-N 2.8Å; E1195-F1198 VanDerWaalsContact O-N 3.15Å; F1198-R1200 PolarHBondContact O-N 3.14Å; F1198-I1201 PolarHBondContact O-N 3.35Å; F1198-I1201 VanDerWaalsContact O-N 3.16Å; F1198-N1202 PolarHBondContact O-N 3.17Å; F1198-N1202 VanDerWaalsContact O-N 3.09Å
1199F51.3Low55.7Low152 Ų152125.9 Ų125.967%0.66760%0.603SS**Hα-helixtrans-65.4-22.4172.3-81.3-69.7000113.2E1195E1195-F1199 WeakPolarHBondContact O-CD2 3.48Å; E1195-F1199 PolarHBondContact O-N 3.18Å
1200R47.5Very low55.2Low196 Ų196127.9 Ų127.974%0.7461%0.609SS**Hα-helixtrans-86.4-14.4173.3-104.1-175.1177.5-179.3-2.1115K1196 N1197 F1198K1196-R1200 WeakPolarHBondContact O-CB 3.45Å; K1196-R1200 PolarHBondContact O-N 2.87Å; K1196-R1200 VanDerWaalsContact O-N 3.13Å; N1197-R1200 CarbonylContact O-C 2.86Å; N1197-R1200 PolarHBondContact O-N 3.43Å; F1198-R1200 PolarHBondContact O-N 3.14Å
1201I51.4Low54.8Low131 Ų131131.8 Ų131.867%0.67263%0.625SS**Hα-helixtrans-98.7-25.2179.1-67.7165000110.6N1197 F1198N1197-I1201 WeakPolarHBondContact O-CD1 3.22Å; N1197-I1201 VanDerWaalsContact O-CG1 3.28Å; N1197-I1201 WeakPolarHBondContact O-CG1 3.38Å; N1197-I1201 PolarHBondContact O-N 3.09Å; F1198-I1201 PolarHBondContact O-N 3.35Å; F1198-I1201 VanDerWaalsContact O-N 3.16Å
1202N48.7Very low53.8Low131 Ų131134.5 Ų134.570%0.70163%0.634SS**  trans-90-1.2173.9-73.9-9.2000114.1F1198F1198-N1202 PolarHBondContact O-N 3.17Å; F1198-N1202 VanDerWaalsContact O-N 3.09Å
1203H39.8Very low53.1Low215 Ų215142.5 Ų142.5100%0.99566%0.657SS**  trans-111.80164.7-93.6-64.8000108.4

Retrieved 1,203 of 1,203 residues in 1798.8 ms (Link to these results)

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