A0A077ZE92_TRITR Loading...

Golgi apparatus membrane protein TVP23 homolog

AlphaFold DB , UniProt , Accession A0A077ZE92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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
1M46.3Very low74.4Confident220 Ų22078.3 Ų78.3100%1.08445%0.448SS*.  0102.80-176.7176.8-77.500107L3M1-L3 PolarHBondContact O-N 2.75Å
2A57.9Low75.7Confident99 Ų9978.7 Ų78.782%0.81845%0.452SS*.  trans-58.7131177.600000108.8S4A2-S4 PolarHBondContact O-N 3.34Å; A2-S4 VanDerWaalsContact O-N 3.07Å
3L61Low76.8Confident65 Ų6579.7 Ų79.734%0.3445%0.449SS..  trans-67.1110.1179.5-165.858000107.7M1 F5 N7 T8 Q88M1-L3 PolarHBondContact O-N 2.75Å; L3-F5 PolarHBondContact O-N 3Å; L3-N7 HydrophobicContact CD1-CB 3.61Å; L3-N7 HydrophobicContact CG-CB 4.22Å; L3-T8 HydrophobicContact CD2-CG2 3.72Å; L3-T8 WeakPolarHBondContact CD2-OG1 3.38Å; L3-T8 WeakPolarHBondContact CG-OG1 3.33Å; L3-Q88 HydrophobicContact CD1-CG 4.43Å
4S72.3Confident77.8Confident67 Ų6774 Ų7447%0.46942%0.416SS..  trans-54.2135169.5174.40000107.9A2 S6 N7 T8A2-S4 PolarHBondContact O-N 3.34Å; A2-S4 VanDerWaalsContact O-N 3.07Å; S4-S6 PolarHBondContact O-N 3.41Å; S4-N7 WeakPolarHBondContact O-CA 3.4Å; S4-N7 VanDerWaalsContact O-CB 3.28Å; S4-N7 WeakPolarHBondContact O-CB 3.31Å; S4-N7 PolarHBondContact O-N 3.13Å; S4-T8 PolarHBondContact O-N 3.37Å; S4-T8 PolarHBondContact O-OG1 3.09Å
5F76.1Confident78.9Confident171 Ų17172.9 Ų72.975%0.7541%0.405SS*.Hα-helixtrans-48.5-40.6-175.7178-100.3000112.4L3 N7 T8 V9L3-F5 PolarHBondContact O-N 3Å; F5-N7 VanDerWaalsContact C-N 3.3Å; F5-N7 PolarHBondContact O-N 2.93Å; F5-T8 WeakPolarHBondContact O-CB 3.33Å; F5-T8 PolarHBondContact O-N 3.4Å; F5-V9 HydrophobicContact CD1-CG2 4.33Å; F5-V9 HydrophobicContact CE1-CG2 3.97Å; F5-V9 HydrophobicContact CZ-CG2 4.09Å; F5-V9 WeakPolarHBondContact O-CG2 3.28Å; F5-V9 PolarHBondContact O-N 3.36Å
6S77.1Confident79.8Confident64 Ų6472.7 Ų72.745%0.44840%0.403SS..Hα-helixtrans-58.3-39.3175.7-174.80000113S4 V9 V10S4-S6 PolarHBondContact O-N 3.41Å; S6-V9 PolarHBondContact O-N 2.94Å; S6-V10 VanDerWaalsContact O-CG2 3.32Å; S6-V10 WeakPolarHBondContact O-CG2 3.31Å; S6-V10 PolarHBondContact O-N 3.22Å; S6-V10 VanDerWaalsContact O-N 3.1Å
7N78.7Confident80.5Confident38 Ų3871.1 Ų71.120%0.20339%0.391CS..Hα-helixtrans-71.8-38.3-179.1-56.6-10.6000110.9L3 S4 F5 V9 V10 L11 L87L3-N7 HydrophobicContact CD1-CB 3.61Å; L3-N7 HydrophobicContact CG-CB 4.22Å; S4-N7 WeakPolarHBondContact O-CA 3.4Å; S4-N7 VanDerWaalsContact O-CB 3.28Å; S4-N7 WeakPolarHBondContact O-CB 3.31Å; S4-N7 PolarHBondContact O-N 3.13Å; F5-N7 VanDerWaalsContact C-N 3.3Å; F5-N7 PolarHBondContact O-N 2.93Å; N7-V9 VanDerWaalsContact C-N 3.33Å; N7-V10 PolarHBondContact O-N 3.03Å; N7-L11 PolarHBondContact O-N 3.41Å; N7-L87 HydrophobicContact CB-CD2 3.9Å; N7-L87 WeakPolarHBondContact ND2-CD2 3.42Å; N7-L87 WeakPolarHBondContact ND2-CG 3.48Å; N7-L87 WeakPolarHBondContact OD1-CD2 3.07Å
8T84.7Confident81.1Confident49 Ų4967.3 Ų67.330%0.30137%0.37SS..Hα-helixtrans-58.3-47.8172.4-41.30000110.7L3 S4 F5 V10 L11 V12L3-T8 HydrophobicContact CD2-CG2 3.72Å; L3-T8 WeakPolarHBondContact CD2-OG1 3.38Å; L3-T8 WeakPolarHBondContact CG-OG1 3.33Å; S4-T8 PolarHBondContact O-N 3.37Å; S4-T8 PolarHBondContact O-OG1 3.09Å; F5-T8 WeakPolarHBondContact O-CB 3.33Å; F5-T8 PolarHBondContact O-N 3.4Å; T8-V10 VanDerWaalsContact C-N 3.35Å; T8-V10 PolarHBondContact O-N 3.14Å; T8-L11 WeakPolarHBondContact O-CB 3.23Å; T8-L11 PolarHBondContact O-N 3.08Å; T8-V12 HydrophobicContact CG2-CG2 4.48Å; T8-V12 WeakPolarHBondContact O-CG2 3.47Å; T8-V12 PolarHBondContact O-N 3.44Å
9V86.9Confident81.8Confident53 Ų5366.8 Ų66.832%0.32137%0.371SS..Hα-helixtrans-60.4-45.8-179.2172.10000110.8F5 S6 N7 L11 V12 F13F5-V9 HydrophobicContact CD1-CG2 4.33Å; F5-V9 HydrophobicContact CE1-CG2 3.97Å; F5-V9 HydrophobicContact CZ-CG2 4.09Å; F5-V9 WeakPolarHBondContact O-CG2 3.28Å; F5-V9 PolarHBondContact O-N 3.36Å; S6-V9 PolarHBondContact O-N 2.94Å; N7-V9 VanDerWaalsContact C-N 3.33Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.2Å; V9-V12 PolarHBondContact O-N 3.26Å; V9-F13 HydrophobicContact CG1-CD2 3.62Å; V9-F13 HydrophobicContact CG1-CE2 3.52Å; V9-F13 WeakPolarHBondContact O-CD2 3.38Å; V9-F13 PolarHBondContact O-N 2.89Å
10V89Confident82.5Confident9 Ų966.8 Ų66.86%0.05537%0.37CS..Hα-helixtrans-62.3-40177.7175.60000111.9S6 N7 T8 H14 T57 K60 L61S6-V10 VanDerWaalsContact O-CG2 3.32Å; S6-V10 WeakPolarHBondContact O-CG2 3.31Å; S6-V10 PolarHBondContact O-N 3.22Å; S6-V10 VanDerWaalsContact O-N 3.1Å; N7-V10 PolarHBondContact O-N 3.03Å; T8-V10 VanDerWaalsContact C-N 3.35Å; T8-V10 PolarHBondContact O-N 3.14Å; V10-H14 WeakPolarHBondContact O-CB 3.36Å; V10-H14 PolarHBondContact O-N 2.82Å; V10-T57 HydrophobicContact CG1-CG2 3.96Å; V10-K60 HydrophobicContact CG1-CB 4.01Å; V10-K60 HydrophobicContact CG1-CD 4.22Å; V10-K60 HydrophobicContact CG2-CD 3.58Å; V10-L61 HydrophobicContact CB-CD2 4.42Å; V10-L61 HydrophobicContact CG1-CD1 4.29Å; V10-L61 HydrophobicContact CG1-CD2 3.88Å; V10-L61 HydrophobicContact CG1-CG 3.9Å
11L88.5Confident83.1Confident26 Ų2663.6 Ų63.614%0.13635%0.352CS..Hα-helixtrans-65.5-44.1175.8-174.778.2000111.5N7 T8 V9 F13 H14 F15 L61 L91N7-L11 PolarHBondContact O-N 3.41Å; T8-L11 WeakPolarHBondContact O-CB 3.23Å; T8-L11 PolarHBondContact O-N 3.08Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.2Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-F13 PolarHBondContact O-N 2.9Å; L11-H14 WeakPolarHBondContact O-CA 3.25Å; L11-H14 VanDerWaalsContact O-CB 3.25Å; L11-H14 WeakPolarHBondContact O-CB 3.42Å; L11-H14 PolarHBondContact O-N 3.31Å; L11-F15 HydrophobicContact CD1-CD2 4.35Å; L11-F15 HydrophobicContact CD1-CE2 3.82Å; L11-F15 HydrophobicContact CG-CD2 4.32Å; L11-F15 HydrophobicContact CG-CE2 4.2Å; L11-F15 WeakPolarHBondContact O-CD2 3.28Å; L11-F15 PolarHBondContact O-N 3.04Å; L11-L61 HydrophobicContact CD1-CD1 4.25Å; L11-L91 HydrophobicContact CD1-CB 3.77Å; L11-L91 HydrophobicContact CD1-CD1 4Å; L11-L91 HydrophobicContact CD2-CD1 3.74Å
12V90.4Very high85.5Confident83 Ų8354.5 Ų54.550%0.50331%0.308SS..Hα-helixtrans-58.5-48.8176.4170.20000109.7T8 V9 H14 F15 L16T8-V12 HydrophobicContact CG2-CG2 4.48Å; T8-V12 WeakPolarHBondContact O-CG2 3.47Å; T8-V12 PolarHBondContact O-N 3.44Å; V9-V12 PolarHBondContact O-N 3.26Å; V12-H14 PolarHBondContact O-N 2.85Å; V12-F15 PolarHBondContact O-N 3.19Å; V12-F15 VanDerWaalsContact O-N 3.1Å; V12-L16 VanDerWaalsContact O-CB 3.27Å; V12-L16 WeakPolarHBondContact O-CB 3.26Å; V12-L16 PolarHBondContact O-N 3.42Å
13F88.9Confident87.2Confident92 Ų9251.7 Ų51.740%0.40429%0.285SS..Hα-helixtrans-61.5-30.3175.4-81.8-67.2000113.5V9 L11 F15 L16 F17V9-F13 HydrophobicContact CG1-CD2 3.62Å; V9-F13 HydrophobicContact CG1-CE2 3.52Å; V9-F13 WeakPolarHBondContact O-CD2 3.38Å; V9-F13 PolarHBondContact O-N 2.89Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-F13 PolarHBondContact O-N 2.9Å; F13-F15 VanDerWaalsContact C-N 3.27Å; F13-F15 PolarHBondContact O-N 3.26Å; F13-L16 HydrophobicContact CD1-CD2 3.96Å; F13-L16 HydrophobicContact CE1-CD2 4.03Å; F13-F17 AromaticContact CD1-CE2 3.71Å; F13-F17 HydrophobicContact CD1-CE2 3.71Å; F13-F17 HydrophobicContact CD1-CZ 4.18Å; F13-F17 HydrophobicContact CE1-CE2 4.37Å; F13-F17 HydrophobicContact CE1-CZ 4.4Å
14H92Very high88.8Confident0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-64.3-30.5175.8-174.675.4000112.8V10 L11 V12 R18 T57 L61 F92V10-H14 WeakPolarHBondContact O-CB 3.36Å; V10-H14 PolarHBondContact O-N 2.82Å; L11-H14 WeakPolarHBondContact O-CA 3.25Å; L11-H14 VanDerWaalsContact O-CB 3.25Å; L11-H14 WeakPolarHBondContact O-CB 3.42Å; L11-H14 PolarHBondContact O-N 3.31Å; V12-H14 PolarHBondContact O-N 2.85Å; H14-R18 PolarHBondContact CD2-NH1 3.47Å; H14-R18 PolarHBondContact CE1-NH2 3.44Å; H14-R18 PolarHBondContact NE2-NH1 3.15Å; H14-R18 PolarHBondContact NE2-NH2 3.17Å; H14-R18 PolarHBondContact O-NE 3.22Å; H14-R18 PolarHBondContact O-NH1 2.84Å; H14-R18 PolarHBondContact O-NH2 3.4Å; H14-T57 HydrophobicContact CB-CG2 3.64Å; H14-T57 VanDerWaalsContact ND1-CB 3.31Å; H14-T57 WeakPolarHBondContact ND1-CB 3.34Å; H14-T57 PolarHBondContact ND1-OG1 3.27Å; H14-L61 HydrophobicContact CB-CD1 4.17Å; H14-F92 AromaticContact CE1-CD2 3.26Å; H14-F92 WeakPolarHBondContact CE1-CD2 3.25Å; H14-F92 AromaticContact CE1-CE2 3.5Å; H14-F92 AromaticContact ND1-CD2 3.84Å; H14-F92 AromaticContact NE2-CD2 3.81Å; H14-F92 PolarHBondContact NE2-O 3.42Å
15F93.8Very high89.8Confident57 Ų5748.7 Ų48.725%0.2526%0.261CS..Hα-helixtrans-100.3-24.2177-70.7-82.6000113.1L11 V12 F13 R18 S19 L91 F99L11-F15 HydrophobicContact CD1-CD2 4.35Å; L11-F15 HydrophobicContact CD1-CE2 3.82Å; L11-F15 HydrophobicContact CG-CD2 4.32Å; L11-F15 HydrophobicContact CG-CE2 4.2Å; L11-F15 WeakPolarHBondContact O-CD2 3.28Å; L11-F15 PolarHBondContact O-N 3.04Å; V12-F15 PolarHBondContact O-N 3.19Å; V12-F15 VanDerWaalsContact O-N 3.1Å; F13-F15 VanDerWaalsContact C-N 3.27Å; F13-F15 PolarHBondContact O-N 3.26Å; F15-R18 WeakPolarHBondContact O-CG 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.43Å; F15-S19 PolarHBondContact O-N 3.21Å; F15-S19 PolarHBondContact O-OG 3.34Å; F15-L91 WeakPolarHBondContact CZ-O 3.44Å; F15-F99 AromaticContact CD1-CE2 3.95Å; F15-F99 HydrophobicContact CD1-CE2 3.95Å; F15-F99 HydrophobicContact CD1-CZ 4.47Å; F15-F99 HydrophobicContact CE1-CE2 4.29Å
16L93.4Very high90.6Very high70 Ų7044.9 Ų44.937%0.36625%0.248SC..Hα-helixtrans-59.3-55.6-172.9-177.866000113V12 F13 S19 I20V12-L16 VanDerWaalsContact O-CB 3.27Å; V12-L16 WeakPolarHBondContact O-CB 3.26Å; V12-L16 PolarHBondContact O-N 3.42Å; F13-L16 HydrophobicContact CD1-CD2 3.96Å; F13-L16 HydrophobicContact CE1-CD2 4.03Å; L16-S19 PolarHBondContact O-N 3.37Å; L16-I20 HydrophobicContact CD1-CD1 3.91Å; L16-I20 HydrophobicContact CD1-CG1 4.38Å; L16-I20 HydrophobicContact CG-CD1 3.83Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.19Å; L16-I20 PolarHBondContact O-N 3.01Å
17F90.9Very high91.2Very high45 Ų4545.3 Ų45.320%0.19725%0.245CC..Hα-helixtrans-65.5-51.2-171.4-69.8-68.4000112.3F13 S19 I20 A21 V45 L48 D49 V52F13-F17 AromaticContact CD1-CE2 3.71Å; F13-F17 HydrophobicContact CD1-CE2 3.71Å; F13-F17 HydrophobicContact CD1-CZ 4.18Å; F13-F17 HydrophobicContact CE1-CE2 4.37Å; F13-F17 HydrophobicContact CE1-CZ 4.4Å; F17-S19 VanDerWaalsContact C-N 3.29Å; F17-S19 PolarHBondContact O-N 2.91Å; F17-I20 WeakPolarHBondContact O-CB 3.32Å; F17-I20 PolarHBondContact O-N 3.11Å; F17-I20 VanDerWaalsContact O-N 3.11Å; F17-A21 PolarHBondContact O-N 2.96Å; F17-V45 HydrophobicContact CB-CG1 4.47Å; F17-V45 WeakPolarHBondContact O-CG1 3.19Å; F17-L48 HydrophobicContact CD1-CB 4.36Å; F17-L48 HydrophobicContact CE1-CD1 4.49Å; F17-D49 HydrophobicContact CB-CB 3.73Å; F17-V52 HydrophobicContact CD2-CB 4.4Å; F17-V52 HydrophobicContact CD2-CG1 4.41Å; F17-V52 HydrophobicContact CD2-CG2 4.04Å; F17-V52 HydrophobicContact CE2-CG2 3.85Å
18R91.7Very high91.3Very high4 Ų443.6 Ų43.62%0.01524%0.236CC..Hα-helixtrans-56.3-37.1171.657.5176.973.5151.1-6.6114.5H14 F15 A21 L22 D49 G95 F99H14-R18 PolarHBondContact CD2-NH1 3.47Å; H14-R18 PolarHBondContact CE1-NH2 3.44Å; H14-R18 PolarHBondContact NE2-NH1 3.15Å; H14-R18 PolarHBondContact NE2-NH2 3.17Å; H14-R18 PolarHBondContact O-NE 3.22Å; H14-R18 PolarHBondContact O-NH1 2.84Å; H14-R18 PolarHBondContact O-NH2 3.4Å; F15-R18 WeakPolarHBondContact O-CG 3.32Å; R18-A21 PolarHBondContact O-N 3.47Å; R18-L22 WeakPolarHBondContact O-CB 3.48Å; R18-L22 PolarHBondContact O-N 2.95Å; R18-D49 WeakPolarHBondContact CB-OD1 3.35Å; R18-D49 PolarHBondContact N-OD1 2.97Å; R18-D49 IonicContact NE-OD1 3.83Å; R18-D49 PolarHBondContact NE-OD1 3.41Å; R18-D49 IonicContact NE-OD2 3.78Å; R18-G95 PolarHBondContact NH1-O 3.2Å; R18-F99 HydrophobicContact CB-CD1 3.64Å; R18-F99 HydrophobicContact CB-CE1 3.62Å; R18-F99 HydrophobicContact CB-CG 4.2Å; R18-F99 HydrophobicContact CB-CZ 4.19Å; R18-F99 HydrophobicContact CG-CD1 3.9Å; R18-F99 HydrophobicContact CG-CD2 4.31Å; R18-F99 HydrophobicContact CG-CE1 3.51Å; R18-F99 HydrophobicContact CG-CE2 3.96Å; R18-F99 HydrophobicContact CG-CG 4.25Å; R18-F99 HydrophobicContact CG-CZ 3.53Å
19S94.6Very high91Very high57 Ų5743.3 Ų43.340%0.39924%0.242SC..Hα-helixtrans-68.9-36.4176.7-750000111.4F15 L16 F17 A23F15-S19 WeakPolarHBondContact O-CB 3.43Å; F15-S19 PolarHBondContact O-N 3.21Å; F15-S19 PolarHBondContact O-OG 3.34Å; L16-S19 PolarHBondContact O-N 3.37Å; F17-S19 VanDerWaalsContact C-N 3.29Å; F17-S19 PolarHBondContact O-N 2.91Å; S19-A23 VanDerWaalsContact O-CB 3.26Å; S19-A23 WeakPolarHBondContact O-CB 3.17Å; S19-A23 PolarHBondContact O-N 2.9Å
20I95.6Very high90.8Very high66 Ų6651 Ų5134%0.33827%0.266SS..Hα-helixtrans-64.8-45.2173-66.8164.2000110.4L16 F17 L22 A23 L24 V45L16-I20 HydrophobicContact CD1-CD1 3.91Å; L16-I20 HydrophobicContact CD1-CG1 4.38Å; L16-I20 HydrophobicContact CG-CD1 3.83Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.19Å; L16-I20 PolarHBondContact O-N 3.01Å; F17-I20 WeakPolarHBondContact O-CB 3.32Å; F17-I20 PolarHBondContact O-N 3.11Å; F17-I20 VanDerWaalsContact O-N 3.11Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.94Å; I20-A23 PolarHBondContact O-N 3.4Å; I20-L24 HydrophobicContact CG2-CD1 3.98Å; I20-L24 HydrophobicContact CG2-CG 4.27Å; I20-L24 WeakPolarHBondContact O-CB 3.5Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 3.02Å; I20-V45 HydrophobicContact CB-CG1 3.97Å; I20-V45 HydrophobicContact CG2-CG1 3.88Å; I20-V45 HydrophobicContact CG2-CG2 4.12Å
21A95.7Very high90.5Very high0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-59.4-44.8177.600000111.8F17 R18 L24 Y25 V45 E46 W103F17-A21 PolarHBondContact O-N 2.96Å; R18-A21 PolarHBondContact O-N 3.47Å; A21-L24 PolarHBondContact O-N 3.41Å; A21-Y25 PolarHBondContact O-N 2.82Å; A21-V45 HydrophobicContact CB-CB 4.45Å; A21-V45 HydrophobicContact CB-CG1 3.95Å; A21-E46 WeakPolarHBondContact CB-OE2 3.4Å; A21-W103 HydrophobicContact CB-CZ2 4.31Å
22L95.4Very high90.2Very high29 Ų2958.6 Ų58.615%0.15230%0.303CS..Hα-helixtrans-64.9-41.3175.8-174.762.9000112.3R18 I20 Y25 I26 F99 I102 W103 L106R18-L22 WeakPolarHBondContact O-CB 3.48Å; R18-L22 PolarHBondContact O-N 2.95Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.94Å; L22-Y25 WeakPolarHBondContact O-CB 3.24Å; L22-Y25 PolarHBondContact O-N 2.88Å; L22-I26 HydrophobicContact CD1-CD1 4.18Å; L22-I26 HydrophobicContact CG-CD1 4Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.43Å; L22-F99 HydrophobicContact CD2-CE1 4.43Å; L22-I102 HydrophobicContact CD1-CG2 3.74Å; L22-I102 HydrophobicContact CD2-CD1 4.29Å; L22-I102 HydrophobicContact CD2-CG2 4.11Å; L22-W103 HydrophobicContact CB-CZ2 4.45Å; L22-W103 HydrophobicContact CD1-CH2 4.15Å; L22-W103 HydrophobicContact CD1-CZ2 4.46Å; L22-W103 HydrophobicContact CD1-CZ3 4.34Å; L22-L106 HydrophobicContact CD1-CD1 3.7Å
23A94.7Very high89.8Confident41 Ų4162.1 Ų62.134%0.33932%0.319SS..Hα-helixtrans-64.4-41.5176.400000111.8S19 I20 Y25 I26 I27S19-A23 VanDerWaalsContact O-CB 3.26Å; S19-A23 WeakPolarHBondContact O-CB 3.17Å; S19-A23 PolarHBondContact O-N 2.9Å; I20-A23 PolarHBondContact O-N 3.4Å; A23-Y25 VanDerWaalsContact C-N 3.29Å; A23-Y25 PolarHBondContact O-N 3.02Å; A23-I26 PolarHBondContact O-N 3.03Å; A23-I27 VanDerWaalsContact O-CB 3.28Å; A23-I27 WeakPolarHBondContact O-CB 3.48Å; A23-I27 PolarHBondContact O-N 3.37Å
24L94.6Very high89.7Confident35 Ų3560 Ų6018%0.18332%0.323CS..Hα-helixtrans-62.2-36.4174-74.5172.1000111.8I20 A21 G28 I32 L41 I42 V45I20-L24 HydrophobicContact CG2-CD1 3.98Å; I20-L24 HydrophobicContact CG2-CG 4.27Å; I20-L24 WeakPolarHBondContact O-CB 3.5Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.32Å; I20-L24 PolarHBondContact O-N 3.02Å; A21-L24 PolarHBondContact O-N 3.41Å; L24-G28 WeakPolarHBondContact O-CA 3.37Å; L24-G28 PolarHBondContact O-N 3.43Å; L24-I32 HydrophobicContact CD2-CD1 4.1Å; L24-L41 HydrophobicContact CD1-CB 4.07Å; L24-I42 HydrophobicContact CB-CD1 4.27Å; L24-I42 HydrophobicContact CB-CG1 3.66Å; L24-I42 HydrophobicContact CD1-CG1 4.38Å; L24-V45 HydrophobicContact CD1-CG2 4.03Å
25Y94.3Very high89.7Confident33 Ų3363.1 Ų63.113%0.12934%0.336CS..Hα-helixtrans-65.5-47.3174.2-179.4-90000112.1A21 L22 A23 I42 W103 L106 W118 V121 C122A21-Y25 PolarHBondContact O-N 2.82Å; L22-Y25 WeakPolarHBondContact O-CB 3.24Å; L22-Y25 PolarHBondContact O-N 2.88Å; A23-Y25 VanDerWaalsContact C-N 3.29Å; A23-Y25 PolarHBondContact O-N 3.02Å; Y25-I42 HydrophobicContact CD2-CD1 4.47Å; Y25-W103 HydrophobicContact CD2-CZ3 4.17Å; Y25-W103 HydrophobicContact CG-CH2 4.42Å; Y25-W103 HydrophobicContact CG-CZ3 4.02Å; Y25-L106 HydrophobicContact CD1-CD1 3.93Å; Y25-L106 HydrophobicContact CE1-CD1 3.92Å; Y25-L106 HydrophobicContact CE1-CD2 3.94Å; Y25-L106 HydrophobicContact CE1-CG 4.37Å; Y25-W118 AromaticContact CD2-CE3 3.78Å; Y25-W118 HydrophobicContact CD2-CE3 3.78Å; Y25-W118 HydrophobicContact CD2-CZ3 4.14Å; Y25-W118 HydrophobicContact CE2-CB 4.12Å; Y25-W118 HydrophobicContact CE2-CD2 4.4Å; Y25-W118 AromaticContact CE2-CE3 3.62Å; Y25-W118 HydrophobicContact CE2-CE3 3.62Å; Y25-W118 HydrophobicContact CE2-CZ3 4.42Å; Y25-V121 HydrophobicContact CD2-CB 4.45Å; Y25-V121 HydrophobicContact CD2-CG1 4Å; Y25-V121 HydrophobicContact CE2-CB 4.46Å; Y25-V121 HydrophobicContact CE2-CG1 4.47Å; Y25-C122 WeakPolarHBondContact CE2-SG 3.27Å; Y25-C122 PolarHBondContact OH-SG 3.22Å
26I92.2Very high89.7Confident91 Ų9166.2 Ų66.247%0.46735%0.354SS..Hα-helixtrans-73.4-44.8-175.5-64.9165.1000111.8L22 A23L22-I26 HydrophobicContact CD1-CD1 4.18Å; L22-I26 HydrophobicContact CG-CD1 4Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.43Å; A23-I26 PolarHBondContact O-N 3.03Å
27I89.2Confident89.7Confident74 Ų7466.5 Ų66.538%0.37936%0.359SS..Hα-helixtrans-97.8-29.8-170.5-57171.2000111.2A23 G29 W30 M31A23-I27 VanDerWaalsContact O-CB 3.28Å; A23-I27 WeakPolarHBondContact O-CB 3.48Å; A23-I27 PolarHBondContact O-N 3.37Å; I27-G29 PolarHBondContact O-N 3.49Å; I27-W30 PolarHBondContact O-N 2.85Å; I27-M31 HydrophobicContact CG2-CB 4.22Å; I27-M31 HydrophobicContact CG2-CG 3.47Å; I27-M31 VanDerWaalsContact CG2-CG 3.47Å; I27-M31 HydrophobicContact CG2-SD 3.33Å; I27-M31 WeakPolarHBondContact CG2-SD 3.47Å; I27-M31 PolarHBondContact O-N 3.49Å
28G81.4Confident89.8Confident2 Ų264.4 Ų64.42%0.02135%0.35CS..Hα-helixtrans-65.1-23.2-17600000113.4L24 W30 I32L24-G28 WeakPolarHBondContact O-CA 3.37Å; L24-G28 PolarHBondContact O-N 3.43Å; G28-W30 PolarHBondContact O-N 3.45Å; G28-I32 PolarHBondContact O-N 3.48Å; G28-I32 VanDerWaalsContact O-N 3.14Å
29G77.9Confident90Very high42 Ų4267 Ų6743%0.43336%0.361SS..Hα-helixtrans-65.9-19.6169.700000114.2I27I27-G29 PolarHBondContact O-N 3.49Å
30W81.9Confident90Very high216 Ų21668.9 Ų68.982%0.81837%0.366SS*.Hα-helixtrans-108.2-30.7178.6-57.6-27.3000113.6I27 G28I27-W30 PolarHBondContact O-N 2.85Å; G28-W30 PolarHBondContact O-N 3.45Å
31M83.2Confident90Very high150 Ų15069.3 Ų69.374%0.73937%0.369SS*.Hα-helixtrans-97.5-24.3-174.3-71.1-164.783.500114.7I27I27-M31 HydrophobicContact CG2-CB 4.22Å; I27-M31 HydrophobicContact CG2-CG 3.47Å; I27-M31 VanDerWaalsContact CG2-CG 3.47Å; I27-M31 HydrophobicContact CG2-SD 3.33Å; I27-M31 WeakPolarHBondContact CG2-SD 3.47Å; I27-M31 PolarHBondContact O-N 3.49Å
32I82.8Confident90Very high44 Ų4469.3 Ų69.323%0.22637%0.369CS..SBendtrans-116.3116.3-173.6-58175.1000108.3L24 G28 G34 V37 T38 L41L24-I32 HydrophobicContact CD2-CD1 4.1Å; G28-I32 PolarHBondContact O-N 3.48Å; G28-I32 VanDerWaalsContact O-N 3.14Å; I32-G34 PolarHBondContact O-N 3.36Å; I32-V37 HydrophobicContact CG2-CB 4.04Å; I32-V37 HydrophobicContact CG2-CG1 3.86Å; I32-T38 VanDerWaalsContact CB-OG1 3.31Å; I32-T38 WeakPolarHBondContact CB-OG1 3.43Å; I32-T38 VanDerWaalsContact CG2-OG1 3.28Å; I32-T38 WeakPolarHBondContact CG2-OG1 3.25Å; I32-L41 HydrophobicContact CD1-CD1 3.79Å
33D81Confident90.1Very high157 Ų15769.5 Ų69.584%0.8437%0.371SS*.SBendtrans-68.5117176.7-68.4-35.2000110.3
34G88.5Confident90.2Very high47 Ų4771.7 Ų71.749%0.48538%0.38SS..SBendtrans100.8124.3172.900000114.1I32 I36 V37 T38I32-G34 PolarHBondContact O-N 3.36Å; G34-I36 VanDerWaalsContact C-N 3.25Å; G34-I36 PolarHBondContact O-N 3.2Å; G34-V37 PolarHBondContact O-N 3.42Å; G34-T38 PolarHBondContact O-N 3.36Å
35F90.9Very high90.3Very high65 Ų6571 Ų7129%0.28538%0.378SS..Hα-helixtrans-53-40.5178170.3-106.3000113.3V37 T38 F39 N117 W118 V121F35-V37 PolarHBondContact O-N 3.35Å; F35-T38 PolarHBondContact O-N 3.14Å; F35-F39 HydrophobicContact CE1-CB 4.41Å; F35-F39 HydrophobicContact CE2-CB 4.41Å; F35-F39 HydrophobicContact CZ-CB 4.22Å; F35-F39 HydrophobicContact CZ-CD2 4.1Å; F35-F39 HydrophobicContact CZ-CG 4.42Å; F35-F39 WeakPolarHBondContact O-CB 3.34Å; F35-F39 PolarHBondContact O-N 3.39Å; F35-N117 HydrophobicContact CD1-CB 4.38Å; F35-N117 HydrophobicContact CD2-CB 3.96Å; F35-N117 HydrophobicContact CE1-CB 4.06Å; F35-N117 HydrophobicContact CE2-CB 3.62Å; F35-N117 WeakPolarHBondContact CE2-O 3.04Å; F35-N117 HydrophobicContact CG-CB 4.34Å; F35-N117 HydrophobicContact CZ-CB 3.67Å; F35-N117 VanDerWaalsContact CZ-O 3.24Å; F35-N117 WeakPolarHBondContact CZ-O 3.35Å; F35-W118 HydrophobicContact CD2-CD2 4.5Å; F35-W118 HydrophobicContact CD2-CZ2 4.48Å; F35-V121 HydrophobicContact CE2-CG2 4.02Å; F35-V121 HydrophobicContact CZ-CG2 4.31Å
36I93.5Very high90.5Very high122 Ų12269.5 Ų69.563%0.62637%0.371SS*.Hα-helixtrans-64.3-43.9-173.5-60.3170.6000111.4G34 F39 L40G34-I36 VanDerWaalsContact C-N 3.25Å; G34-I36 PolarHBondContact O-N 3.2Å; I36-F39 PolarHBondContact O-N 3.31Å; I36-L40 HydrophobicContact CG2-CD1 4.12Å; I36-L40 HydrophobicContact CG2-CG 4.46Å; I36-L40 VanDerWaalsContact O-CG 3.29Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.18Å
37V93.5Very high90.7Very high77 Ų7767.3 Ų67.347%0.46736%0.364SS..Hα-helixtrans-65.7-47.5-178.8179.20000110I32 G34 F35 F39 L40 L41I32-V37 HydrophobicContact CG2-CB 4.04Å; I32-V37 HydrophobicContact CG2-CG1 3.86Å; G34-V37 PolarHBondContact O-N 3.42Å; F35-V37 PolarHBondContact O-N 3.35Å; V37-F39 PolarHBondContact O-N 2.91Å; V37-L40 PolarHBondContact O-N 2.93Å; V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 3.42Å
38T94.2Very high91.1Very high1 Ų167.8 Ų67.81%0.00637%0.367CS..Hα-helixtrans-61.4-43.3177.4-53.20000111.8I32 G34 F35 L40 L41 I42 W118I32-T38 VanDerWaalsContact CB-OG1 3.31Å; I32-T38 WeakPolarHBondContact CB-OG1 3.43Å; I32-T38 VanDerWaalsContact CG2-OG1 3.28Å; I32-T38 WeakPolarHBondContact CG2-OG1 3.25Å; G34-T38 PolarHBondContact O-N 3.36Å; F35-T38 PolarHBondContact O-N 3.14Å; T38-L40 PolarHBondContact O-N 3.3Å; T38-L41 PolarHBondContact O-N 2.95Å; T38-I42 HydrophobicContact CG2-CD1 3.97Å; T38-I42 VanDerWaalsContact O-CG1 3.32Å; T38-I42 WeakPolarHBondContact O-CG1 3.38Å; T38-I42 PolarHBondContact O-N 3.44Å; T38-W118 HydrophobicContact CG2-CH2 3.88Å; T38-W118 HydrophobicContact CG2-CZ3 4.1Å
39F94.6Very high91.8Very high57 Ų5767.8 Ų67.825%0.2537%0.367CS..Hα-helixtrans-56-51.2174.9169.2-92.2000111.6F35 I36 V37 L41 I42 V43 V121F35-F39 HydrophobicContact CE1-CB 4.41Å; F35-F39 HydrophobicContact CE2-CB 4.41Å; F35-F39 HydrophobicContact CZ-CB 4.22Å; F35-F39 HydrophobicContact CZ-CD2 4.1Å; F35-F39 HydrophobicContact CZ-CG 4.42Å; F35-F39 WeakPolarHBondContact O-CB 3.34Å; F35-F39 PolarHBondContact O-N 3.39Å; I36-F39 PolarHBondContact O-N 3.31Å; V37-F39 PolarHBondContact O-N 2.91Å; F39-L41 PolarHBondContact O-N 3.4Å; F39-I42 PolarHBondContact O-N 3.47Å; F39-V43 HydrophobicContact CD1-CG2 4.44Å; F39-V43 HydrophobicContact CD2-CG2 4.49Å; F39-V43 HydrophobicContact CE1-CG2 4Å; F39-V43 HydrophobicContact CE2-CG2 4.03Å; F39-V43 HydrophobicContact CZ-CG2 3.76Å; F39-V43 WeakPolarHBondContact O-CG2 3.27Å; F39-V43 PolarHBondContact O-N 3.45Å; F39-V121 HydrophobicContact CD2-CG2 3.65Å; F39-V121 HydrophobicContact CE2-CG2 4.36Å
40L95.6Very high92.7Very high97 Ų9767.6 Ų67.651%0.50835%0.354SS..Hα-helixtrans-63.3-40.6-178.7-69.9175.5000112.1I36 V37 T38 V43 V44I36-L40 HydrophobicContact CG2-CD1 4.12Å; I36-L40 HydrophobicContact CG2-CG 4.46Å; I36-L40 VanDerWaalsContact O-CG 3.29Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.18Å; V37-L40 PolarHBondContact O-N 2.93Å; T38-L40 PolarHBondContact O-N 3.3Å; L40-V43 PolarHBondContact O-N 3.22Å; L40-V44 WeakPolarHBondContact O-CG2 3.27Å; L40-V44 PolarHBondContact O-N 3.19Å
41L95.1Very high93.4Very high76 Ų7664 Ų6440%0.39834%0.341SS..Hα-helixtrans-62.3-44.7176.5-71173.5000111.8L24 I32 V37 T38 F39 V44 V45L24-L41 HydrophobicContact CD1-CB 4.07Å; I32-L41 HydrophobicContact CD1-CD1 3.79Å; V37-L41 HydrophobicContact CG1-CD1 4.21Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 3.42Å; T38-L41 PolarHBondContact O-N 2.95Å; F39-L41 PolarHBondContact O-N 3.4Å; L41-V44 PolarHBondContact O-N 3.26Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.5Å; L41-V45 PolarHBondContact O-N 3.46Å
42I96.5Very high94Very high0 Ų057.5 Ų57.50%031%0.309CS..Hα-helixtrans-61.7-46.7177.3-67.5167.2000110.3L24 Y25 T38 F39 V44 V45 E46 V121L24-I42 HydrophobicContact CB-CD1 4.27Å; L24-I42 HydrophobicContact CB-CG1 3.66Å; L24-I42 HydrophobicContact CD1-CG1 4.38Å; Y25-I42 HydrophobicContact CD2-CD1 4.47Å; T38-I42 HydrophobicContact CG2-CD1 3.97Å; T38-I42 VanDerWaalsContact O-CG1 3.32Å; T38-I42 WeakPolarHBondContact O-CG1 3.38Å; T38-I42 PolarHBondContact O-N 3.44Å; F39-I42 PolarHBondContact O-N 3.47Å; I42-V44 VanDerWaalsContact C-N 3.32Å; I42-V44 PolarHBondContact O-N 3.11Å; I42-V45 PolarHBondContact O-N 3.21Å; I42-E46 WeakPolarHBondContact O-CB 3.38Å; I42-E46 PolarHBondContact O-N 3.25Å; I42-V121 HydrophobicContact CB-CG1 4.32Å; I42-V121 HydrophobicContact CD1-CG1 3.85Å; I42-V121 HydrophobicContact CG2-CG1 3.71Å
43V96.5Very high94.7Very high32 Ų3255.4 Ų55.419%0.19430%0.298CS..Hα-helixtrans-58.9-42.9179.2168.30000111.9F39 L40 S47 F124F39-V43 HydrophobicContact CD1-CG2 4.44Å; F39-V43 HydrophobicContact CD2-CG2 4.49Å; F39-V43 HydrophobicContact CE1-CG2 4Å; F39-V43 HydrophobicContact CE2-CG2 4.03Å; F39-V43 HydrophobicContact CZ-CG2 3.76Å; F39-V43 WeakPolarHBondContact O-CG2 3.27Å; F39-V43 PolarHBondContact O-N 3.45Å; L40-V43 PolarHBondContact O-N 3.22Å; V43-S47 VanDerWaalsContact O-CB 3.29Å; V43-S47 WeakPolarHBondContact O-CB 3.25Å; V43-S47 PolarHBondContact O-N 3.3Å; V43-S47 PolarHBondContact O-OG 2.93Å; V43-F124 HydrophobicContact CB-CE1 4.18Å; V43-F124 HydrophobicContact CB-CZ 4.46Å; V43-F124 HydrophobicContact CG1-CE1 4.05Å; V43-F124 HydrophobicContact CG1-CZ 3.84Å; V43-F124 HydrophobicContact CG2-CD1 4.07Å; V43-F124 HydrophobicContact CG2-CE1 3.92Å; V43-F124 HydrophobicContact CG2-CZ 4.32Å
44V97.1Very high95.4Very high87 Ų8750.6 Ų50.653%0.52727%0.27SS..Hα-helixtrans-65.5-49.6178.4170.10000110.9L40 L41 I42 E46 S47 L48L40-V44 WeakPolarHBondContact O-CG2 3.27Å; L40-V44 PolarHBondContact O-N 3.19Å; L41-V44 PolarHBondContact O-N 3.26Å; I42-V44 VanDerWaalsContact C-N 3.32Å; I42-V44 PolarHBondContact O-N 3.11Å; V44-E46 VanDerWaalsContact C-N 3.34Å; V44-E46 PolarHBondContact O-N 2.83Å; V44-S47 PolarHBondContact O-N 3.27Å; V44-L48 HydrophobicContact CG1-CD1 4.31Å; V44-L48 WeakPolarHBondContact O-CG 3.16Å; V44-L48 PolarHBondContact O-N 3.1Å
45V97.2Very high95.7Very high22 Ų2250.1 Ų50.113%0.13326%0.256CS..Hα-helixtrans-63.2-41.6-179.6174.80000111.3F17 I20 A21 L24 L41 I42 L48 D49F17-V45 HydrophobicContact CB-CG1 4.47Å; F17-V45 WeakPolarHBondContact O-CG1 3.19Å; I20-V45 HydrophobicContact CB-CG1 3.97Å; I20-V45 HydrophobicContact CG2-CG1 3.88Å; I20-V45 HydrophobicContact CG2-CG2 4.12Å; A21-V45 HydrophobicContact CB-CB 4.45Å; A21-V45 HydrophobicContact CB-CG1 3.95Å; L24-V45 HydrophobicContact CD1-CG2 4.03Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.5Å; L41-V45 PolarHBondContact O-N 3.46Å; I42-V45 PolarHBondContact O-N 3.21Å; V45-L48 WeakPolarHBondContact O-CB 3.34Å; V45-L48 PolarHBondContact O-N 3.3Å; V45-D49 PolarHBondContact O-N 3.06Å
46E97.6Very high95.8Very high0 Ų049 Ų490%026%0.255CS..Hα-helixtrans-69-36.3179.5-169.763.9-160.700111.9A21 I42 V44 L48 D49 F50 F124 C125 M128 T129A21-E46 WeakPolarHBondContact CB-OE2 3.4Å; I42-E46 WeakPolarHBondContact O-CB 3.38Å; I42-E46 PolarHBondContact O-N 3.25Å; V44-E46 VanDerWaalsContact C-N 3.34Å; V44-E46 PolarHBondContact O-N 2.83Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-D49 PolarHBondContact O-N 3.28Å; E46-F50 WeakPolarHBondContact O-CB 3.1Å; E46-F50 PolarHBondContact O-N 3.22Å; E46-F124 HydrophobicContact CB-CE1 4.28Å; E46-F124 HydrophobicContact CG-CE1 4.29Å; E46-C125 HydrophobicContact CG-CB 4.19Å; E46-M128 HydrophobicContact CG-CB 4.04Å; E46-M128 HydrophobicContact CG-CG 4.44Å; E46-T129 WeakPolarHBondContact OE1-CG2 3.14Å
47S97.4Very high95.8Very high45 Ų4543.2 Ų43.232%0.31523%0.225SC..Hα-helixtrans-65.3-37.8173.3-610000111.9V43 V44 F50 W51V43-S47 VanDerWaalsContact O-CB 3.29Å; V43-S47 WeakPolarHBondContact O-CB 3.25Å; V43-S47 PolarHBondContact O-N 3.3Å; V43-S47 PolarHBondContact O-OG 2.93Å; V44-S47 PolarHBondContact O-N 3.27Å; S47-F50 PolarHBondContact O-N 3.01Å; S47-W51 PolarHBondContact O-N 3.25Å
48L97Very high95.9Very high84 Ų8439.6 Ų39.644%0.4420%0.203SC..Hα-helixtrans-65.7-44.4172.5-69.3172.2000111.3F17 V44 V45 E46 F50 W51 V52F17-L48 HydrophobicContact CD1-CB 4.36Å; F17-L48 HydrophobicContact CE1-CD1 4.49Å; V44-L48 HydrophobicContact CG1-CD1 4.31Å; V44-L48 WeakPolarHBondContact O-CG 3.16Å; V44-L48 PolarHBondContact O-N 3.1Å; V45-L48 WeakPolarHBondContact O-CB 3.34Å; V45-L48 PolarHBondContact O-N 3.3Å; E46-L48 VanDerWaalsContact C-N 3.33Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F50 PolarHBondContact O-N 3.46Å; L48-W51 PolarHBondContact O-N 3.04Å; L48-V52 WeakPolarHBondContact O-CB 3.39Å; L48-V52 VanDerWaalsContact O-CG2 3.29Å; L48-V52 WeakPolarHBondContact O-CG2 3.33Å; L48-V52 PolarHBondContact O-N 3Å
49D96.6Very high95.8Very high3 Ų343.9 Ų43.92%0.01622%0.219CC..Hα-helixtrans-56.9-50173.8-172.480.6000110.5F17 R18 V45 E46 W51 V52 V53F17-D49 HydrophobicContact CB-CB 3.73Å; R18-D49 WeakPolarHBondContact CB-OD1 3.35Å; R18-D49 PolarHBondContact N-OD1 2.97Å; R18-D49 IonicContact NE-OD1 3.83Å; R18-D49 PolarHBondContact NE-OD1 3.41Å; R18-D49 IonicContact NE-OD2 3.78Å; V45-D49 PolarHBondContact O-N 3.06Å; E46-D49 PolarHBondContact O-N 3.28Å; D49-W51 VanDerWaalsContact C-N 3.27Å; D49-W51 PolarHBondContact O-N 3.04Å; D49-V52 PolarHBondContact O-N 3.36Å; D49-V52 VanDerWaalsContact O-N 3.15Å; D49-V53 WeakPolarHBondContact O-CB 3.02Å; D49-V53 VanDerWaalsContact O-CG2 3.26Å; D49-V53 WeakPolarHBondContact O-CG2 3.39Å; D49-V53 PolarHBondContact O-N 3.41Å; D49-V53 WeakPolarHBondContact OD2-CG2 3.21Å
50F97.1Very high95.6Very high38 Ų3846.2 Ų46.217%0.16723%0.229CC..Hα-helixtrans-52.6-47.7178.4170.5-98.3000111.4E46 S47 L48 K54 W66 M128 N132E46-F50 WeakPolarHBondContact O-CB 3.1Å; E46-F50 PolarHBondContact O-N 3.22Å; S47-F50 PolarHBondContact O-N 3.01Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F50 PolarHBondContact O-N 3.46Å; F50-K54 HydrophobicContact CE1-CD 4.35Å; F50-K54 HydrophobicContact CZ-CD 4.07Å; F50-K54 VanDerWaalsContact O-CB 3.3Å; F50-K54 WeakPolarHBondContact O-CB 3.48Å; F50-K54 PolarHBondContact O-N 2.99Å; F50-W66 HydrophobicContact CE2-CH2 4.2Å; F50-W66 HydrophobicContact CE2-CZ2 4.17Å; F50-W66 HydrophobicContact CZ-CH2 4.01Å; F50-W66 HydrophobicContact CZ-CZ2 4.27Å; F50-M128 HydrophobicContact CB-SD 4.36Å; F50-M128 WeakPolarHBondContact CD2-O 3.37Å; F50-M128 HydrophobicContact CD2-SD 4.22Å; F50-M128 HydrophobicContact CG-SD 4.12Å; F50-N132 WeakPolarHBondContact CA-ND2 3.29Å; F50-N132 WeakPolarHBondContact CD2-ND2 3.36Å; F50-N132 PolarHBondContact O-ND2 3.32Å; F50-N132 VanDerWaalsContact O-ND2 3.08Å
51W96.8Very high95.4Very high141 Ų14141.6 Ų41.653%0.53421%0.205SC..Hα-helixtrans-67.1-44.6179.7-174.897.1000112.8S47 L48 D49 V53 K54 N55 V56S47-W51 PolarHBondContact O-N 3.25Å; L48-W51 PolarHBondContact O-N 3.04Å; D49-W51 VanDerWaalsContact C-N 3.27Å; D49-W51 PolarHBondContact O-N 3.04Å; W51-V53 VanDerWaalsContact C-N 3.34Å; W51-K54 PolarHBondContact O-N 3.44Å; W51-N55 VanDerWaalsContact CD1-ND2 3.28Å; W51-N55 HydrophobicContact CD2-CB 4.33Å; W51-N55 HydrophobicContact CZ2-CB 4.26Å; W51-N55 PolarHBondContact NE1-ND2 3.39Å; W51-N55 VanDerWaalsContact O-CB 3.3Å; W51-N55 WeakPolarHBondContact O-CB 3.38Å; W51-N55 PolarHBondContact O-N 3.04Å; W51-N55 PolarHBondContact O-ND2 2.95Å; W51-V56 HydrophobicContact CE3-CG2 4.4Å; W51-V56 HydrophobicContact CH2-CG2 4.13Å; W51-V56 HydrophobicContact CZ3-CG2 3.66Å
52V95.5Very high95.3Very high13 Ų1338.5 Ų38.58%0.07919%0.189CC..Hα-helixtrans-64.6-40.8180167.90000110.8F17 L48 D49 V56 T57F17-V52 HydrophobicContact CD2-CB 4.4Å; F17-V52 HydrophobicContact CD2-CG1 4.41Å; F17-V52 HydrophobicContact CD2-CG2 4.04Å; F17-V52 HydrophobicContact CE2-CG2 3.85Å; L48-V52 WeakPolarHBondContact O-CB 3.39Å; L48-V52 VanDerWaalsContact O-CG2 3.29Å; L48-V52 WeakPolarHBondContact O-CG2 3.33Å; L48-V52 PolarHBondContact O-N 3Å; D49-V52 PolarHBondContact O-N 3.36Å; D49-V52 VanDerWaalsContact O-N 3.15Å; V52-V56 HydrophobicContact CG1-CB 4.41Å; V52-V56 WeakPolarHBondContact O-CA 3.34Å; V52-V56 WeakPolarHBondContact O-CB 3.27Å; V52-V56 PolarHBondContact O-N 2.84Å; V52-T57 HydrophobicContact CG1-CG2 3.76Å; V52-T57 PolarHBondContact O-N 3.42Å; V52-T57 PolarHBondContact O-OG1 3.32Å
53V96.2Very high95.1Very high0 Ų038.8 Ų38.80%019%0.192CC..Iπ-helixtrans-61.2-55.2175.5173.80000110.2D49 W51 N55 T57 G58 L96 N132 Y136D49-V53 WeakPolarHBondContact O-CB 3.02Å; D49-V53 VanDerWaalsContact O-CG2 3.26Å; D49-V53 WeakPolarHBondContact O-CG2 3.39Å; D49-V53 PolarHBondContact O-N 3.41Å; D49-V53 WeakPolarHBondContact OD2-CG2 3.21Å; W51-V53 VanDerWaalsContact C-N 3.34Å; V53-N55 PolarHBondContact O-N 3.29Å; V53-T57 VanDerWaalsContact CA-OG1 3.27Å; V53-T57 WeakPolarHBondContact CA-OG1 3.42Å; V53-T57 PolarHBondContact O-OG1 3.16Å; V53-G58 PolarHBondContact O-N 2.98Å; V53-L96 HydrophobicContact CG1-CD1 3.89Å; V53-N132 HydrophobicContact CG1-CB 3.97Å; V53-Y136 HydrophobicContact CG1-CE2 3.94Å; V53-Y136 PolarHBondContact O-OH 3.37Å
54K96.2Very high94.9Very high55 Ų5538 Ų3824%0.23919%0.187CC..Iπ-helixtrans-61.2-44.7-178-169176.970.3166.50113.6F50 W51 W66 N132 Y136F50-K54 HydrophobicContact CE1-CD 4.35Å; F50-K54 HydrophobicContact CZ-CD 4.07Å; F50-K54 VanDerWaalsContact O-CB 3.3Å; F50-K54 WeakPolarHBondContact O-CB 3.48Å; F50-K54 PolarHBondContact O-N 2.99Å; W51-K54 PolarHBondContact O-N 3.44Å; K54-W66 HydrophobicContact CD-CD2 4.38Å; K54-W66 HydrophobicContact CD-CH2 3.74Å; K54-W66 HydrophobicContact CD-CZ2 3.51Å; K54-W66 HydrophobicContact CD-CZ3 4.23Å; K54-W66 HydrophobicContact CG-CD2 4.43Å; K54-W66 HydrophobicContact CG-CZ2 3.82Å; K54-N132 WeakPolarHBondContact CB-OD1 3.46Å; K54-Y136 VanDerWaalsContact CA-OH 3.24Å; K54-Y136 WeakPolarHBondContact CA-OH 3.11Å; K54-Y136 PolarHBondContact O-OH 3.03Å
55N95.2Very high94.8Very high37 Ų3738 Ų3820%0.19818%0.177CC..Iπ-helixtrans-104-31-165.8-68.5-66.5000114.9W51 V53 R59W51-N55 VanDerWaalsContact CD1-ND2 3.28Å; W51-N55 HydrophobicContact CD2-CB 4.33Å; W51-N55 HydrophobicContact CZ2-CB 4.26Å; W51-N55 PolarHBondContact NE1-ND2 3.39Å; W51-N55 VanDerWaalsContact O-CB 3.3Å; W51-N55 WeakPolarHBondContact O-CB 3.38Å; W51-N55 PolarHBondContact O-N 3.04Å; W51-N55 PolarHBondContact O-ND2 2.95Å; V53-N55 PolarHBondContact O-N 3.29Å; N55-R59 WeakPolarHBondContact O-CD 3.33Å; N55-R59 WeakPolarHBondContact O-CG 3.48Å; N55-R59 PolarHBondContact O-NE 2.99Å; N55-R59 PolarHBondContact OD1-NH2 3.45Å
56V93.4Very high94.8Very high43 Ų4337.8 Ų37.826%0.26117%0.174SC..Iπ-helixtrans-106.3-63.1-173.3-177.40000110.2W51 V52 R59 K60W51-V56 HydrophobicContact CE3-CG2 4.4Å; W51-V56 HydrophobicContact CH2-CG2 4.13Å; W51-V56 HydrophobicContact CZ3-CG2 3.66Å; V52-V56 HydrophobicContact CG1-CB 4.41Å; V52-V56 WeakPolarHBondContact O-CA 3.34Å; V52-V56 WeakPolarHBondContact O-CB 3.27Å; V52-V56 PolarHBondContact O-N 2.84Å; V56-R59 PolarHBondContact O-N 2.97Å; V56-K60 HydrophobicContact CG1-CD 4.27Å; V56-K60 WeakPolarHBondContact O-CB 3.28Å; V56-K60 WeakPolarHBondContact O-CG 3.28Å; V56-K60 PolarHBondContact O-N 3.43Å
57T93.7Very high94.7Very high0 Ų041.6 Ų41.60%019%0.189CC..Iπ-helixtrans-75.3-37.5-167.764.50000111.8V10 H14 V52 V53 R59 K60 L61V10-T57 HydrophobicContact CG1-CG2 3.96Å; H14-T57 HydrophobicContact CB-CG2 3.64Å; H14-T57 VanDerWaalsContact ND1-CB 3.31Å; H14-T57 WeakPolarHBondContact ND1-CB 3.34Å; H14-T57 PolarHBondContact ND1-OG1 3.27Å; V52-T57 HydrophobicContact CG1-CG2 3.76Å; V52-T57 PolarHBondContact O-N 3.42Å; V52-T57 PolarHBondContact O-OG1 3.32Å; V53-T57 VanDerWaalsContact CA-OG1 3.27Å; V53-T57 WeakPolarHBondContact CA-OG1 3.42Å; V53-T57 PolarHBondContact O-OG1 3.16Å; T57-R59 VanDerWaalsContact C-N 3.29Å; T57-R59 PolarHBondContact O-N 2.99Å; T57-K60 PolarHBondContact O-N 3.22Å; T57-L61 VanDerWaalsContact O-CB 3.22Å; T57-L61 WeakPolarHBondContact O-CB 3.41Å; T57-L61 WeakPolarHBondContact O-CG 3.2Å; T57-L61 PolarHBondContact O-N 3.37Å
58G93.8Very high94.5Very high0 Ų042.4 Ų42.40%019%0.189CC..Hα-helixtrans-61-37.3173.400000113.3V53 V62 G63 L64 Y136V53-G58 PolarHBondContact O-N 2.98Å; G58-V62 WeakPolarHBondContact O-CG2 3.08Å; G58-V62 PolarHBondContact O-N 2.87Å; G58-G63 PolarHBondContact O-N 3.25Å; G58-L64 CarbonylContact C-O 3.58Å; G58-L64 VanDerWaalsContact C-O 3.28Å; G58-L64 PolarHBondContact O-N 2.87Å; G58-Y136 WeakPolarHBondContact CA-OH 3.36Å
59R92.8Very high94.5Very high92 Ų9243.1 Ų43.135%0.34719%0.187SC..Hα-helixtrans-72.3-41.9177.6-61.4-170.5-168.4166.510.4112.4N55 V56 T57 G63 R65N55-R59 WeakPolarHBondContact O-CD 3.33Å; N55-R59 WeakPolarHBondContact O-CG 3.48Å; N55-R59 PolarHBondContact O-NE 2.99Å; N55-R59 PolarHBondContact OD1-NH2 3.45Å; V56-R59 PolarHBondContact O-N 2.97Å; T57-R59 VanDerWaalsContact C-N 3.29Å; T57-R59 PolarHBondContact O-N 2.99Å; R59-G63 WeakPolarHBondContact O-CA 3.5Å; R59-G63 PolarHBondContact O-N 3.4Å; R59-R65 VanDerWaalsContact CZ-CZ 3.47Å
60K90.5Very high94.4Very high105 Ų10547.1 Ų47.146%0.45721%0.211SC..Hα-helixtrans-83.9-36-174.6-70-172.7179.4-1770113.7V10 V56 T57V10-K60 HydrophobicContact CG1-CB 4.01Å; V10-K60 HydrophobicContact CG1-CD 4.22Å; V10-K60 HydrophobicContact CG2-CD 3.58Å; V56-K60 HydrophobicContact CG1-CD 4.27Å; V56-K60 WeakPolarHBondContact O-CB 3.28Å; V56-K60 WeakPolarHBondContact O-CG 3.28Å; V56-K60 PolarHBondContact O-N 3.43Å; T57-K60 PolarHBondContact O-N 3.22Å
61L91.7Very high94.3Very high1 Ų147.3 Ų47.31%0.00521%0.214CC..Hα-helixtrans-90.3-36.8-173.1-60.7-179.5000113.2V10 L11 H14 T57 L87 Q88 F92V10-L61 HydrophobicContact CB-CD2 4.42Å; V10-L61 HydrophobicContact CG1-CD1 4.29Å; V10-L61 HydrophobicContact CG1-CD2 3.88Å; V10-L61 HydrophobicContact CG1-CG 3.9Å; L11-L61 HydrophobicContact CD1-CD1 4.25Å; H14-L61 HydrophobicContact CB-CD1 4.17Å; T57-L61 VanDerWaalsContact O-CB 3.22Å; T57-L61 WeakPolarHBondContact O-CB 3.41Å; T57-L61 WeakPolarHBondContact O-CG 3.2Å; T57-L61 PolarHBondContact O-N 3.37Å; L61-L87 PolarHBondContact O-N 3.07Å; L61-Q88 PolarHBondContact O-N 3.07Å; L61-F92 HydrophobicContact CB-CB 4.19Å; L61-F92 HydrophobicContact CB-CD2 4.24Å; L61-F92 HydrophobicContact CB-CG 4.47Å; L61-F92 HydrophobicContact CD1-CB 4.31Å; L61-F92 HydrophobicContact CD1-CD2 4.14Å
62V92.3Very high94.3Very high10 Ų1049.2 Ų49.26%0.06124%0.235CC..SBendtrans-125.9-3.8-175.6-66.90000114.7G58 L64 V85 P89 F92G58-V62 WeakPolarHBondContact O-CG2 3.08Å; G58-V62 PolarHBondContact O-N 2.87Å; V62-L64 HydrophobicContact CB-CD1 4.29Å; V62-L64 HydrophobicContact CB-CG 4.1Å; V62-L64 HydrophobicContact CG2-CB 3.91Å; V62-L64 HydrophobicContact CG2-CD1 3.93Å; V62-L64 HydrophobicContact CG2-CG 3.77Å; V62-L64 PolarHBondContact O-N 3.27Å; V62-V85 CarbonylContact C-O 3.57Å; V62-P89 HydrophobicContact CG1-CB 3.89Å; V62-F92 HydrophobicContact CB-CD1 4.22Å; V62-F92 HydrophobicContact CB-CE1 4.48Å; V62-F92 HydrophobicContact CG1-CB 3.78Å; V62-F92 HydrophobicContact CG1-CD1 3.43Å; V62-F92 VanDerWaalsContact CG1-CD1 3.43Å; V62-F92 HydrophobicContact CG1-CE1 4.15Å; V62-F92 HydrophobicContact CG1-CG 3.65Å; V62-F92 HydrophobicContact CG2-CD1 3.71Å; V62-F92 HydrophobicContact CG2-CD2 4.37Å; V62-F92 HydrophobicContact CG2-CE1 3.55Å; V62-F92 HydrophobicContact CG2-CE2 4.24Å; V62-F92 HydrophobicContact CG2-CG 4.12Å; V62-F92 HydrophobicContact CG2-CZ 3.84Å
63G91.8Very high94.3Very high6 Ų656.9 Ų56.96%0.06227%0.27CS..  trans65.222.7179.700000113.9G58 R59 C82 R83 V85G58-G63 PolarHBondContact O-N 3.25Å; R59-G63 WeakPolarHBondContact O-CA 3.5Å; R59-G63 PolarHBondContact O-N 3.4Å; G63-C82 CarbonylContact O-C 3.11Å; G63-R83 PolarHBondContact O-N 3.32Å; G63-V85 PolarHBondContact N-O 3.25Å
64L93.6Very high94.2Very high17 Ų1759.5 Ų59.59%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-105.6143.9-178.1-57.9-179.2000110.8G58 V62 E81 C82 W93 Y136 C139G58-L64 CarbonylContact C-O 3.58Å; G58-L64 VanDerWaalsContact C-O 3.28Å; G58-L64 PolarHBondContact O-N 2.87Å; V62-L64 HydrophobicContact CB-CD1 4.29Å; V62-L64 HydrophobicContact CB-CG 4.1Å; V62-L64 HydrophobicContact CG2-CB 3.91Å; V62-L64 HydrophobicContact CG2-CD1 3.93Å; V62-L64 HydrophobicContact CG2-CG 3.77Å; V62-L64 PolarHBondContact O-N 3.27Å; L64-E81 WeakPolarHBondContact CA-O 3.38Å; L64-C82 HydrophobicContact CD2-CB 4.02Å; L64-C82 WeakPolarHBondContact CD2-SG 3.45Å; L64-W93 HydrophobicContact CD1-CH2 4.49Å; L64-W93 HydrophobicContact CD1-CZ2 3.81Å; L64-Y136 HydrophobicContact CB-CD1 3.65Å; L64-Y136 HydrophobicContact CB-CE1 3.7Å; L64-Y136 HydrophobicContact CD1-CD1 3.98Å; L64-Y136 HydrophobicContact CG-CD1 4.46Å; L64-C139 HydrophobicContact CB-CB 4.34Å; L64-C139 HydrophobicContact CD1-CB 4.18Å; L64-C139 HydrophobicContact CD2-CB 4.25Å; L64-C139 HydrophobicContact CG-CB 4.49Å
65R94.9Very high94.1Very high85 Ų8563 Ų6332%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-144.8132.3173.9179.8-176.2177.8154.9-1.1110.3R59 E81R59-R65 VanDerWaalsContact CZ-CZ 3.47Å; R65-E81 HydrophobicContact CB-CB 4.3Å; R65-E81 PolarHBondContact N-O 3.06Å; R65-E81 PolarHBondContact O-N 3.05Å
66W95.8Very high94.2Very high19 Ų1965.9 Ų65.97%0.07233%0.327CS..EExtended strand (participates in β ladder)trans-120.4145.5170.462.6-88.4000109.7F50 K54 W78 K79 Y80 N132 Y136F50-W66 HydrophobicContact CE2-CH2 4.2Å; F50-W66 HydrophobicContact CE2-CZ2 4.17Å; F50-W66 HydrophobicContact CZ-CH2 4.01Å; F50-W66 HydrophobicContact CZ-CZ2 4.27Å; K54-W66 HydrophobicContact CD-CD2 4.38Å; K54-W66 HydrophobicContact CD-CH2 3.74Å; K54-W66 HydrophobicContact CD-CZ2 3.51Å; K54-W66 HydrophobicContact CD-CZ3 4.23Å; K54-W66 HydrophobicContact CG-CD2 4.43Å; K54-W66 HydrophobicContact CG-CZ2 3.82Å; W66-W78 HydrophobicContact CE3-CE3 4.42Å; W66-W78 AromaticContact CE3-CZ3 3.8Å; W66-W78 HydrophobicContact CE3-CZ3 3.8Å; W66-W78 HydrophobicContact CZ3-CH2 4.44Å; W66-W78 AromaticContact CZ3-CZ3 3.75Å; W66-W78 HydrophobicContact CZ3-CZ3 3.75Å; W66-K79 WeakPolarHBondContact CA-O 3.33Å; W66-Y80 HydrophobicContact CB-CD1 3.8Å; W66-Y80 HydrophobicContact CB-CE1 4Å; W66-N132 WeakPolarHBondContact CZ2-OD1 3.33Å; W66-Y136 AromaticContact CD1-CZ 3.91Å; W66-Y136 AromaticContact NE1-CD2 3.98Å; W66-Y136 AromaticContact NE1-CE2 3.62Å; W66-Y136 AromaticContact NE1-CZ 3.89Å
67W95.5Very high94.2Very high80 Ų8066.6 Ų66.630%0.30333%0.328SS..EExtended strand (participates in β ladder)trans-159.3162.717355.2-75.1000109.9Y69 K79 E81W67-Y69 AromaticContact CE3-CD1 3.76Å; W67-Y69 HydrophobicContact CE3-CD1 3.76Å; W67-Y69 HydrophobicContact CE3-CG 4.34Å; W67-Y69 AromaticContact CH2-CD1 3.66Å; W67-Y69 HydrophobicContact CH2-CD1 3.66Å; W67-Y69 HydrophobicContact CH2-CE1 4.06Å; W67-Y69 HydrophobicContact CH2-CG 4.35Å; W67-Y69 AromaticContact CZ3-CD1 3.16Å; W67-Y69 HydrophobicContact CZ3-CD1 3.16Å; W67-Y69 HydrophobicContact CZ3-CE1 4.02Å; W67-Y69 AromaticContact CZ3-CG 3.64Å; W67-Y69 HydrophobicContact CZ3-CG 3.64Å; W67-K79 HydrophobicContact CD2-CB 4.2Å; W67-K79 VanDerWaalsContact CE2-CD 3.48Å; W67-K79 HydrophobicContact CH2-CD 3.99Å; W67-K79 HydrophobicContact CZ2-CB 4.09Å; W67-K79 HydrophobicContact CZ2-CD 3.12Å; W67-K79 HydrophobicContact CZ2-CG 4.23Å; W67-K79 PolarHBondContact N-O 3.35Å; W67-K79 VanDerWaalsContact N-O 3.1Å; W67-K79 PolarHBondContact O-N 3.3Å; W67-E81 PolarHBondContact NE1-OE1 3.33Å
68N94.8Very high94.2Very high61 Ų6173.1 Ų73.133%0.32635%0.352SS..EExtended strand (participates in β ladder)trans-121.4146.3176157.6-92000108.7D76 H77 W78N68-D76 PolarHBondContact ND2-OD1 2.91Å; N68-H77 VanDerWaalsContact CA-O 3.3Å; N68-H77 WeakPolarHBondContact CA-O 3.39Å; N68-H77 PolarHBondContact ND2-O 3Å; N68-W78 HydrophobicContact CB-CD2 3.91Å; N68-W78 HydrophobicContact CB-CE3 3.75Å; N68-W78 HydrophobicContact CB-CH2 3.93Å; N68-W78 HydrophobicContact CB-CZ2 4.07Å; N68-W78 HydrophobicContact CB-CZ3 3.76Å
69Y95.2Very high94.1Very high99 Ų9977.4 Ų77.439%0.38837%0.371SS..EExtended strand (participates in β ladder)trans-140.9153.1169.466.5-81.7000109.7W67 H77 K79W67-Y69 AromaticContact CE3-CD1 3.76Å; W67-Y69 HydrophobicContact CE3-CD1 3.76Å; W67-Y69 HydrophobicContact CE3-CG 4.34Å; W67-Y69 AromaticContact CH2-CD1 3.66Å; W67-Y69 HydrophobicContact CH2-CD1 3.66Å; W67-Y69 HydrophobicContact CH2-CE1 4.06Å; W67-Y69 HydrophobicContact CH2-CG 4.35Å; W67-Y69 AromaticContact CZ3-CD1 3.16Å; W67-Y69 HydrophobicContact CZ3-CD1 3.16Å; W67-Y69 HydrophobicContact CZ3-CE1 4.02Å; W67-Y69 AromaticContact CZ3-CG 3.64Å; W67-Y69 HydrophobicContact CZ3-CG 3.64Å; Y69-H77 HydrophobicContact CD1-CB 4.05Å; Y69-H77 HydrophobicContact CD2-CB 4.33Å; Y69-H77 HydrophobicContact CE1-CB 3.54Å; Y69-H77 HydrophobicContact CE2-CB 3.83Å; Y69-H77 AromaticContact CE2-CD2 3.96Å; Y69-H77 HydrophobicContact CG-CB 4.44Å; Y69-H77 VanDerWaalsContact CZ-CB 3.41Å; Y69-H77 AromaticContact CZ-CG 3.92Å; Y69-H77 PolarHBondContact N-O 3.27Å; Y69-H77 PolarHBondContact O-N 3.33Å; Y69-K79 HydrophobicContact CE1-CB 4.44Å
70V96.4Very high94.2Very high88 Ų8874.6 Ų74.653%0.53336%0.361SS..EExtended strand (participates in β ladder)trans-100.3130.1174.5-172.60000107G74 K75V70-G74 VanDerWaalsContact CG1-C 3.5Å; V70-K75 WeakPolarHBondContact CA-O 3.37Å
71D94.5Very high94.2Very high42 Ų4271.8 Ų71.823%0.22535%0.349CS..  trans-78.9175.2174.765.816.5000112.2E73 G74 K75 H77D71-E73 PolarHBondContact O-N 3.47Å; D71-E73 WeakPolarHBondContact OD1-CA 3.46Å; D71-E73 WeakPolarHBondContact OD1-CB 3.29Å; D71-E73 PolarHBondContact OD1-N 3.42Å; D71-G74 PolarHBondContact O-N 2.87Å; D71-G74 PolarHBondContact OD1-N 3.31Å; D71-K75 PolarHBondContact N-O 2.74Å; D71-K75 WeakPolarHBondContact OD1-CA 3.26Å; D71-K75 WeakPolarHBondContact OD1-CB 3.49Å; D71-K75 PolarHBondContact OD1-N 2.95Å; D71-K75 WeakPolarHBondContact OD2-CB 3.26Å; D71-H77 IonicContact OD2-CD2 2.7Å; D71-H77 PolarHBondContact OD2-CD2 3.43Å; D71-H77 IonicContact OD2-CE1 2.8Å; D71-H77 IonicContact OD2-NE2 3.47Å; D71-H77 PolarHBondContact OD2-NE2 3.44Å
72D95.4Very high94.1Very high180 Ų18073.8 Ų73.896%0.96336%0.363SS*.THydrogen-bonded Turntrans-64.5-18179.3-59.9-40.5000112.7G74D72-G74 VanDerWaalsContact C-N 3.3Å
73E95.7Very high93.8Very high175 Ų17581.6 Ų81.682%0.81839%0.391SS*.THydrogen-bonded Turntrans-85.2-2174-59.8-177.7179.500112.5D71D71-E73 PolarHBondContact O-N 3.47Å; D71-E73 WeakPolarHBondContact OD1-CA 3.46Å; D71-E73 WeakPolarHBondContact OD1-CB 3.29Å; D71-E73 PolarHBondContact OD1-N 3.42Å
74G94Very high93.1Very high55 Ų5587.7 Ų87.757%0.56743%0.429SS*.SBendtrans80.514.6-178.900000114.3V70 D71 D72V70-G74 VanDerWaalsContact CG1-C 3.5Å; D71-G74 PolarHBondContact O-N 2.87Å; D71-G74 PolarHBondContact OD1-N 3.31Å; D72-G74 VanDerWaalsContact C-N 3.3Å
75K95.9Very high92.1Very high128 Ų12889.6 Ų89.656%0.55744%0.442SS*.  trans-94.6134.5-178.3-175.8-179.7-179.4177.20111.8V70 D71 H77V70-K75 WeakPolarHBondContact CA-O 3.37Å; D71-K75 PolarHBondContact N-O 2.74Å; D71-K75 WeakPolarHBondContact OD1-CA 3.26Å; D71-K75 WeakPolarHBondContact OD1-CB 3.49Å; D71-K75 PolarHBondContact OD1-N 2.95Å; D71-K75 WeakPolarHBondContact OD2-CB 3.26Å; K75-H77 PolarHBondContact O-CD2 3.03Å; K75-H77 VanDerWaalsContact O-CD2 3.22Å
76D95.4Very high90.9Very high97 Ų9791.1 Ų91.152%0.51946%0.455SS..EExtended strand (participates in β ladder)trans-75.9122.9178-87.4-48.9000112.9N68N68-D76 PolarHBondContact ND2-OD1 2.91Å
77H93.8Very high90.1Very high58 Ų5892.7 Ų92.727%0.26947%0.465SS..EExtended strand (participates in β ladder)trans-116.3125.5174-66.6-84.6000111.1N68 Y69 D71 K75N68-H77 VanDerWaalsContact CA-O 3.3Å; N68-H77 WeakPolarHBondContact CA-O 3.39Å; N68-H77 PolarHBondContact ND2-O 3Å; Y69-H77 HydrophobicContact CD1-CB 4.05Å; Y69-H77 HydrophobicContact CD2-CB 4.33Å; Y69-H77 HydrophobicContact CE1-CB 3.54Å; Y69-H77 HydrophobicContact CE2-CB 3.83Å; Y69-H77 AromaticContact CE2-CD2 3.96Å; Y69-H77 HydrophobicContact CG-CB 4.44Å; Y69-H77 VanDerWaalsContact CZ-CB 3.41Å; Y69-H77 AromaticContact CZ-CG 3.92Å; Y69-H77 PolarHBondContact N-O 3.27Å; Y69-H77 PolarHBondContact O-N 3.33Å; D71-H77 IonicContact OD2-CD2 2.7Å; D71-H77 PolarHBondContact OD2-CD2 3.43Å; D71-H77 IonicContact OD2-CE1 2.8Å; D71-H77 IonicContact OD2-NE2 3.47Å; D71-H77 PolarHBondContact OD2-NE2 3.44Å; K75-H77 PolarHBondContact O-CD2 3.03Å; K75-H77 VanDerWaalsContact O-CD2 3.22Å
78W93.8Very high89.5Confident137 Ų13791 Ų9152%0.51946%0.46SS..EExtended strand (participates in β ladder)trans-97.5117.8174.5-70.188.2000109.9W66 N68 Y80W66-W78 HydrophobicContact CE3-CE3 4.42Å; W66-W78 AromaticContact CE3-CZ3 3.8Å; W66-W78 HydrophobicContact CE3-CZ3 3.8Å; W66-W78 HydrophobicContact CZ3-CH2 4.44Å; W66-W78 AromaticContact CZ3-CZ3 3.75Å; W66-W78 HydrophobicContact CZ3-CZ3 3.75Å; N68-W78 HydrophobicContact CB-CD2 3.91Å; N68-W78 HydrophobicContact CB-CE3 3.75Å; N68-W78 HydrophobicContact CB-CH2 3.93Å; N68-W78 HydrophobicContact CB-CZ2 4.07Å; N68-W78 HydrophobicContact CB-CZ3 3.76Å; W78-Y80 HydrophobicContact CB-CE2 3.75Å
79K93Very high89.1Confident91 Ų9190.2 Ų90.240%0.39646%0.458SS..EExtended strand (participates in β ladder)trans-106.3130.9178.7-158.6-169.4-175.8-165.80111.1W66 W67 Y69 E81W66-K79 WeakPolarHBondContact CA-O 3.33Å; W67-K79 HydrophobicContact CD2-CB 4.2Å; W67-K79 VanDerWaalsContact CE2-CD 3.48Å; W67-K79 HydrophobicContact CH2-CD 3.99Å; W67-K79 HydrophobicContact CZ2-CB 4.09Å; W67-K79 HydrophobicContact CZ2-CD 3.12Å; W67-K79 HydrophobicContact CZ2-CG 4.23Å; W67-K79 PolarHBondContact N-O 3.35Å; W67-K79 VanDerWaalsContact N-O 3.1Å; W67-K79 PolarHBondContact O-N 3.3Å; Y69-K79 HydrophobicContact CE1-CB 4.44Å; K79-E81 HydrophobicContact CD-CG 4.26Å; K79-E81 WeakPolarHBondContact CD-OE1 3.42Å; K79-E81 WeakPolarHBondContact CE-OE1 3.27Å; K79-E81 HydrophobicContact CG-CG 4.48Å; K79-E81 IonicContact NZ-OE1 3.43Å; K79-E81 PolarHBondContact NZ-OE1 2.97Å
80Y93.8Very high88.9Confident33 Ų3393.2 Ų93.213%0.12948%0.476CS..EExtended strand (participates in β ladder)trans-120.5115.3178.9-55.6-79.1000109.5W66 W78 R138 C139W66-Y80 HydrophobicContact CB-CD1 3.8Å; W66-Y80 HydrophobicContact CB-CE1 4Å; W78-Y80 HydrophobicContact CB-CE2 3.75Å; Y80-R138 HydrophobicContact CD1-CB 4.11Å; Y80-R138 HydrophobicContact CE1-CB 3.44Å; Y80-R138 VanDerWaalsContact CE1-CB 3.44Å; Y80-R138 HydrophobicContact CE1-CG 4.47Å; Y80-R138 HydrophobicContact CE2-CB 4.37Å; Y80-C139 HydrophobicContact CD1-CB 4.37Å; Y80-C139 VanDerWaalsContact CD1-SG 3.51Å
81E90.8Very high88.6Confident46 Ų4692.5 Ų92.522%0.21547%0.469CS..EExtended strand (participates in β ladder)trans-111.3137-177.9-63.9174.4-174.400110.3L64 R65 W67 K79L64-E81 WeakPolarHBondContact CA-O 3.38Å; R65-E81 HydrophobicContact CB-CB 4.3Å; R65-E81 PolarHBondContact N-O 3.06Å; R65-E81 PolarHBondContact O-N 3.05Å; W67-E81 PolarHBondContact NE1-OE1 3.33Å; K79-E81 HydrophobicContact CD-CG 4.26Å; K79-E81 WeakPolarHBondContact CD-OE1 3.42Å; K79-E81 WeakPolarHBondContact CE-OE1 3.27Å; K79-E81 HydrophobicContact CG-CG 4.48Å; K79-E81 IonicContact NZ-OE1 3.43Å; K79-E81 PolarHBondContact NZ-OE1 2.97Å
82C88.8Confident88.6Confident43 Ų4390.5 Ų90.529%0.29146%0.458SS..EExtended strand (participates in β ladder)trans-127.5131.6179.6-58.60000110.1G63 L64 S143G63-C82 CarbonylContact O-C 3.11Å; L64-C82 HydrophobicContact CD2-CB 4.02Å; L64-C82 WeakPolarHBondContact CD2-SG 3.45Å; C82-S143 VanDerWaalsContact SG-CB 3.51Å
83R86.4Confident88.6Confident174 Ų17483.9 Ų83.966%0.65742%0.42SS*.  trans-122.8148.5175.2-67.3-176.7-176.8-97.1-1.8109.8G63 V85G63-R83 PolarHBondContact O-N 3.32Å; R83-V85 HydrophobicContact CB-CG2 4.39Å; R83-V85 PolarHBondContact O-N 3.34Å
84P76.6Confident88.5Confident133 Ų13379.1 Ų79.186%0.86440%0.403SS*.SBendtrans-75.454.5179.433.1-36.9000112.1
85V73.3Confident88.4Confident57 Ų5776.6 Ų76.635%0.34538%0.376SS..  trans-114.2105.8176.5-179.80000107.9V62 G63 R83 L87V62-V85 CarbonylContact C-O 3.57Å; G63-V85 PolarHBondContact N-O 3.25Å; R83-V85 HydrophobicContact CB-CG2 4.39Å; R83-V85 PolarHBondContact O-N 3.34Å; V85-L87 HydrophobicContact CG1-CD1 3.87Å
86I70.4Confident88.4Confident117 Ų11770.8 Ų70.860%0.635%0.351SS*.  trans-129.290.6-176-55.6-178.8000107.9P89I86-P89 HydrophobicContact CG2-CB 4.13Å; I86-P89 HydrophobicContact CG2-CG 3.44Å; I86-P89 VanDerWaalsContact CG2-CG 3.44Å
87L78.4Confident88.5Confident53 Ų5369.3 Ų69.328%0.27735%0.346SS..SBendtrans-86.2-53.6174.7-91.153.1000109.7N7 L61 V85N7-L87 HydrophobicContact CB-CD2 3.9Å; N7-L87 WeakPolarHBondContact ND2-CD2 3.42Å; N7-L87 WeakPolarHBondContact ND2-CG 3.48Å; N7-L87 WeakPolarHBondContact OD1-CD2 3.07Å; L61-L87 PolarHBondContact O-N 3.07Å; V85-L87 HydrophobicContact CG1-CD1 3.87Å
88Q82.2Confident88.6Confident44 Ų4469.6 Ų69.621%0.20635%0.351CS..  trans-155.171.4-174.7-67.2-170.9-21.700112.2L3 L61 Q90 F92L3-Q88 HydrophobicContact CD1-CG 4.43Å; L61-Q88 PolarHBondContact O-N 3.07Å; Q88-Q90 PolarHBondContact O-N 3.36Å; Q88-F92 PolarHBondContact O-N 3.49Å
89P87.2Confident88.7Confident45 Ų4563.8 Ų63.829%0.29233%0.33SS..Hα-helixtrans-67.9-37.3-173.929.3-36.3000112V62 I86 L91 F92 W93V62-P89 HydrophobicContact CG1-CB 3.89Å; I86-P89 HydrophobicContact CG2-CB 4.13Å; I86-P89 HydrophobicContact CG2-CG 3.44Å; I86-P89 VanDerWaalsContact CG2-CG 3.44Å; P89-L91 PolarHBondContact O-N 2.78Å; P89-F92 PolarHBondContact O-N 3.43Å; P89-W93 PolarHBondContact O-N 3.19Å
90Q91Very high88.9Confident162 Ų16259.9 Ų59.976%0.75731%0.314SS*.Hα-helixtrans-58.1-51.8-176.9-69173.8-40.300111.4Q88 F92 W93 T94Q88-Q90 PolarHBondContact O-N 3.36Å; Q90-F92 PolarHBondContact O-N 3.1Å; Q90-W93 PolarHBondContact O-N 3.01Å; Q90-T94 PolarHBondContact O-N 3.4Å; Q90-T94 PolarHBondContact O-OG1 2.94Å
91L91.1Very high89.1Confident73 Ų7362.3 Ų62.338%0.38233%0.332SS..Hα-helixtrans-65.5-38.5-179.3-65.7173.4000112.6L11 F15 P89 T94 G95L11-L91 HydrophobicContact CD1-CB 3.77Å; L11-L91 HydrophobicContact CD1-CD1 4Å; L11-L91 HydrophobicContact CD2-CD1 3.74Å; F15-L91 WeakPolarHBondContact CZ-O 3.44Å; P89-L91 PolarHBondContact O-N 2.78Å; L91-T94 PolarHBondContact O-N 3.26Å; L91-G95 PolarHBondContact O-N 2.87Å
92F93.3Very high89.4Confident0 Ų062.5 Ų62.50%033%0.334CS..Hα-helixtrans-57.8-50.8173.3173.8-91.5000111.3H14 L61 V62 Q88 P89 Q90 G95 L96 Y136H14-F92 AromaticContact CE1-CD2 3.26Å; H14-F92 WeakPolarHBondContact CE1-CD2 3.25Å; H14-F92 AromaticContact CE1-CE2 3.5Å; H14-F92 AromaticContact ND1-CD2 3.84Å; H14-F92 AromaticContact NE2-CD2 3.81Å; H14-F92 PolarHBondContact NE2-O 3.42Å; L61-F92 HydrophobicContact CB-CB 4.19Å; L61-F92 HydrophobicContact CB-CD2 4.24Å; L61-F92 HydrophobicContact CB-CG 4.47Å; L61-F92 HydrophobicContact CD1-CB 4.31Å; L61-F92 HydrophobicContact CD1-CD2 4.14Å; V62-F92 HydrophobicContact CB-CD1 4.22Å; V62-F92 HydrophobicContact CB-CE1 4.48Å; V62-F92 HydrophobicContact CG1-CB 3.78Å; V62-F92 HydrophobicContact CG1-CD1 3.43Å; V62-F92 VanDerWaalsContact CG1-CD1 3.43Å; V62-F92 HydrophobicContact CG1-CE1 4.15Å; V62-F92 HydrophobicContact CG1-CG 3.65Å; V62-F92 HydrophobicContact CG2-CD1 3.71Å; V62-F92 HydrophobicContact CG2-CD2 4.37Å; V62-F92 HydrophobicContact CG2-CE1 3.55Å; V62-F92 HydrophobicContact CG2-CE2 4.24Å; V62-F92 HydrophobicContact CG2-CG 4.12Å; V62-F92 HydrophobicContact CG2-CZ 3.84Å; Q88-F92 PolarHBondContact O-N 3.49Å; P89-F92 PolarHBondContact O-N 3.43Å; Q90-F92 PolarHBondContact O-N 3.1Å; F92-G95 PolarHBondContact O-N 3.47Å; F92-L96 HydrophobicContact CE1-CD2 3.8Å; F92-L96 HydrophobicContact CZ-CD2 4.18Å; F92-L96 VanDerWaalsContact O-CB 3.27Å; F92-L96 WeakPolarHBondContact O-CB 3.42Å; F92-L96 PolarHBondContact O-N 3.31Å; F92-Y136 HydrophobicContact CE1-CD1 4.23Å; F92-Y136 HydrophobicContact CE1-CD2 4.33Å; F92-Y136 HydrophobicContact CE1-CG 4.13Å; F92-Y136 HydrophobicContact CZ-CD1 4.02Å; F92-Y136 AromaticContact CZ-CD2 3.81Å; F92-Y136 HydrophobicContact CZ-CD2 3.81Å; F92-Y136 AromaticContact CZ-CE1 3.99Å; F92-Y136 HydrophobicContact CZ-CE1 3.99Å; F92-Y136 AromaticContact CZ-CE2 3.81Å; F92-Y136 HydrophobicContact CZ-CE2 3.81Å; F92-Y136 AromaticContact CZ-CG 3.96Å; F92-Y136 HydrophobicContact CZ-CG 3.96Å; F92-Y136 AromaticContact CZ-CZ 3.9Å
93W94.9Very high89.8Confident40 Ų4060.4 Ų60.415%0.15232%0.32CS..Hα-helixtrans-66.8-37.7-179.7-75109.1000112.5L64 P89 Q90 L96 V97 Y136 L137 K140L64-W93 HydrophobicContact CD1-CH2 4.49Å; L64-W93 HydrophobicContact CD1-CZ2 3.81Å; P89-W93 PolarHBondContact O-N 3.19Å; Q90-W93 PolarHBondContact O-N 3.01Å; W93-L96 HydrophobicContact CE3-CD2 3.87Å; W93-L96 HydrophobicContact CZ3-CD2 3.84Å; W93-L96 PolarHBondContact O-N 3.41Å; W93-V97 WeakPolarHBondContact O-CG2 3.3Å; W93-V97 PolarHBondContact O-N 2.94Å; W93-Y136 WeakPolarHBondContact CH2-O 3.35Å; W93-L137 HydrophobicContact CH2-CD2 4.37Å; W93-L137 HydrophobicContact CZ3-CD2 3.81Å; W93-L137 HydrophobicContact CZ3-CG 4.18Å; W93-K140 HydrophobicContact CH2-CB 3.99Å; W93-K140 HydrophobicContact CH2-CD 3.87Å; W93-K140 HydrophobicContact CZ2-CB 4.05Å; W93-K140 HydrophobicContact CZ2-CD 3.67Å; W93-K140 HydrophobicContact CZ2-CG 4.27Å
94T94.2Very high90.4Very high76 Ų7655.3 Ų55.347%0.46631%0.31SS..Hα-helixtrans-58.2-52.6173.7-61.40000110.3Q90 L91 L96 V97 V98Q90-T94 PolarHBondContact O-N 3.4Å; Q90-T94 PolarHBondContact O-OG1 2.94Å; L91-T94 PolarHBondContact O-N 3.26Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.39Å; T94-V97 PolarHBondContact O-N 3.2Å; T94-V98 HydrophobicContact CG2-CG2 3.88Å; T94-V98 VanDerWaalsContact O-CB 3.27Å; T94-V98 WeakPolarHBondContact O-CB 3.2Å; T94-V98 WeakPolarHBondContact O-CG2 3.42Å; T94-V98 PolarHBondContact O-N 3.46Å
95G93.1Very high91.4Very high1 Ų152.8 Ų52.81%0.0129%0.292CS..Hα-helixtrans-61.4-40.4178.300000113R18 L91 F92 V97 F99R18-G95 PolarHBondContact NH1-O 3.2Å; L91-G95 PolarHBondContact O-N 2.87Å; F92-G95 PolarHBondContact O-N 3.47Å; G95-V97 VanDerWaalsContact C-N 3.28Å; G95-V97 PolarHBondContact O-N 2.89Å; G95-F99 WeakPolarHBondContact O-CD2 3.49Å
96L95.5Very high92.5Very high6 Ų651.3 Ų51.33%0.03128%0.282CS..Hα-helixtrans-64.9-28179.4-16768.5000113.9V53 F92 W93 T94 P100 N132 L133 Y136V53-L96 HydrophobicContact CG1-CD1 3.89Å; F92-L96 HydrophobicContact CE1-CD2 3.8Å; F92-L96 HydrophobicContact CZ-CD2 4.18Å; F92-L96 VanDerWaalsContact O-CB 3.27Å; F92-L96 WeakPolarHBondContact O-CB 3.42Å; F92-L96 PolarHBondContact O-N 3.31Å; W93-L96 HydrophobicContact CE3-CD2 3.87Å; W93-L96 HydrophobicContact CZ3-CD2 3.84Å; W93-L96 PolarHBondContact O-N 3.41Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.39Å; L96-P100 WeakPolarHBondContact O-CD 3.46Å; L96-P100 WeakPolarHBondContact O-CG 3.32Å; L96-N132 HydrophobicContact CD1-CB 3.99Å; L96-L133 HydrophobicContact CD2-CD1 3.98Å; L96-L133 HydrophobicContact CG-CB 4.19Å; L96-L133 HydrophobicContact CG-CD1 3.87Å; L96-Y136 HydrophobicContact CD1-CD2 4.08Å; L96-Y136 HydrophobicContact CD2-CD2 3.8Å; L96-Y136 HydrophobicContact CD2-CG 4Å
97V96.9Very high93.8Very high66 Ų6647.6 Ų47.640%0.426%0.263SS..Hα-helixtrans-96-41.3179.8174.20000112.1W93 T94 G95 F99 P100 V101 L133W93-V97 WeakPolarHBondContact O-CG2 3.3Å; W93-V97 PolarHBondContact O-N 2.94Å; T94-V97 PolarHBondContact O-N 3.2Å; G95-V97 VanDerWaalsContact C-N 3.28Å; G95-V97 PolarHBondContact O-N 2.89Å; V97-F99 PolarHBondContact O-N 3.46Å; V97-P100 WeakPolarHBondContact O-CD 3.48Å; V97-P100 WeakPolarHBondContact O-CG 3.31Å; V97-V101 HydrophobicContact CG1-CG2 4.31Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.4Å; V97-V101 PolarHBondContact O-N 2.96Å; V97-L133 HydrophobicContact CG2-CD1 3.74Å
98V96.5Very high94.7Very high64 Ų6447.5 Ų47.539%0.38827%0.27SS..Hα-helixtrans-62.8-44-173.1166.50000111.7T94 V101 I102T94-V98 HydrophobicContact CG2-CG2 3.88Å; T94-V98 VanDerWaalsContact O-CB 3.27Å; T94-V98 WeakPolarHBondContact O-CB 3.2Å; T94-V98 WeakPolarHBondContact O-CG2 3.42Å; T94-V98 PolarHBondContact O-N 3.46Å; V98-V101 WeakPolarHBondContact O-CB 3.07Å; V98-V101 PolarHBondContact O-N 3.28Å; V98-I102 HydrophobicContact CG1-CD1 3.68Å; V98-I102 HydrophobicContact CG1-CG1 4.31Å; V98-I102 VanDerWaalsContact O-CG1 3.32Å; V98-I102 WeakPolarHBondContact O-CG1 3.32Å; V98-I102 PolarHBondContact O-N 3.04Å
99F95.9Very high95.4Very high15 Ų1549.8 Ų49.87%0.06628%0.283CS..Hα-helixtrans-69-46.9-176.1-77.3-99000114.9F15 R18 L22 G95 V97 V101 I102 W103 T129F15-F99 AromaticContact CD1-CE2 3.95Å; F15-F99 HydrophobicContact CD1-CE2 3.95Å; F15-F99 HydrophobicContact CD1-CZ 4.47Å; F15-F99 HydrophobicContact CE1-CE2 4.29Å; R18-F99 HydrophobicContact CB-CD1 3.64Å; R18-F99 HydrophobicContact CB-CE1 3.62Å; R18-F99 HydrophobicContact CB-CG 4.2Å; R18-F99 HydrophobicContact CB-CZ 4.19Å; R18-F99 HydrophobicContact CG-CD1 3.9Å; R18-F99 HydrophobicContact CG-CD2 4.31Å; R18-F99 HydrophobicContact CG-CE1 3.51Å; R18-F99 HydrophobicContact CG-CE2 3.96Å; R18-F99 HydrophobicContact CG-CG 4.25Å; R18-F99 HydrophobicContact CG-CZ 3.53Å; L22-F99 HydrophobicContact CD2-CE1 4.43Å; G95-F99 WeakPolarHBondContact O-CD2 3.49Å; V97-F99 PolarHBondContact O-N 3.46Å; F99-V101 PolarHBondContact O-N 3.34Å; F99-I102 WeakPolarHBondContact O-CB 3.46Å; F99-I102 PolarHBondContact O-N 3.4Å; F99-I102 VanDerWaalsContact O-N 3.14Å; F99-W103 PolarHBondContact O-N 3.44Å; F99-T129 HydrophobicContact CB-CG2 4.45Å
100P96.3Very high95.8Very high10 Ų1047.8 Ų47.87%0.06527%0.271CS..Hα-helixtrans-60.2-34.4172.918.1-27.7000112.1L96 V97 W103 C104 T129 L133L96-P100 WeakPolarHBondContact O-CD 3.46Å; L96-P100 WeakPolarHBondContact O-CG 3.32Å; V97-P100 WeakPolarHBondContact O-CD 3.48Å; V97-P100 WeakPolarHBondContact O-CG 3.31Å; P100-W103 PolarHBondContact O-N 3.2Å; P100-C104 PolarHBondContact O-N 2.72Å; P100-C104 PolarHBondContact O-SG 2.87Å; P100-T129 WeakPolarHBondContact CA-OG1 3.45Å; P100-T129 WeakPolarHBondContact CB-OG1 3.4Å; P100-L133 HydrophobicContact CG-CD2 3.88Å
101V97.7Very high96Very high83 Ų8345.8 Ų45.850%0.50326%0.259SS..Hα-helixtrans-63.8-46173.6171.40000111.4V97 V98 F99 W103 C104 V105V97-V101 HydrophobicContact CG1-CG2 4.31Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.4Å; V97-V101 PolarHBondContact O-N 2.96Å; V98-V101 WeakPolarHBondContact O-CB 3.07Å; V98-V101 PolarHBondContact O-N 3.28Å; F99-V101 PolarHBondContact O-N 3.34Å; V101-W103 VanDerWaalsContact C-N 3.31Å; V101-W103 PolarHBondContact O-N 3.12Å; V101-C104 PolarHBondContact O-N 3.43Å; V101-V105 WeakPolarHBondContact O-CG2 3.22Å; V101-V105 PolarHBondContact O-N 2.84Å
102I97.6Very high96.3Very high50 Ų5048.5 Ų48.526%0.25627%0.273SS..Hα-helixtrans-56.2-47.5174.4-70.8167.1000110.2L22 V98 F99 C104 V105 L106L22-I102 HydrophobicContact CD1-CG2 3.74Å; L22-I102 HydrophobicContact CD2-CD1 4.29Å; L22-I102 HydrophobicContact CD2-CG2 4.11Å; V98-I102 HydrophobicContact CG1-CD1 3.68Å; V98-I102 HydrophobicContact CG1-CG1 4.31Å; V98-I102 VanDerWaalsContact O-CG1 3.32Å; V98-I102 WeakPolarHBondContact O-CG1 3.32Å; V98-I102 PolarHBondContact O-N 3.04Å; F99-I102 WeakPolarHBondContact O-CB 3.46Å; F99-I102 PolarHBondContact O-N 3.4Å; F99-I102 VanDerWaalsContact O-N 3.14Å; I102-C104 PolarHBondContact O-N 3.48Å; I102-V105 PolarHBondContact O-N 3.32Å; I102-L106 HydrophobicContact CG2-CD1 4.01Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.29Å; I102-L106 PolarHBondContact O-N 3.45Å
103W98Very high96.3Very high0 Ų051.8 Ų51.80%030%0.296CS..Hα-helixtrans-61.7-41178.5-69.3127.1000112.5A21 L22 Y25 F99 P100 V101 V105 L106 I107 C122 C125A21-W103 HydrophobicContact CB-CZ2 4.31Å; L22-W103 HydrophobicContact CB-CZ2 4.45Å; L22-W103 HydrophobicContact CD1-CH2 4.15Å; L22-W103 HydrophobicContact CD1-CZ2 4.46Å; L22-W103 HydrophobicContact CD1-CZ3 4.34Å; Y25-W103 HydrophobicContact CD2-CZ3 4.17Å; Y25-W103 HydrophobicContact CG-CH2 4.42Å; Y25-W103 HydrophobicContact CG-CZ3 4.02Å; F99-W103 PolarHBondContact O-N 3.44Å; P100-W103 PolarHBondContact O-N 3.2Å; V101-W103 VanDerWaalsContact C-N 3.31Å; V101-W103 PolarHBondContact O-N 3.12Å; W103-V105 PolarHBondContact O-N 3.24Å; W103-L106 HydrophobicContact CE3-CD1 3.6Å; W103-L106 HydrophobicContact CZ3-CD1 3.67Å; W103-L106 PolarHBondContact O-N 2.82Å; W103-I107 WeakPolarHBondContact O-CG1 3.43Å; W103-I107 PolarHBondContact O-N 3.45Å; W103-C122 HydrophobicContact CE3-CB 4.39Å; W103-C125 HydrophobicContact CD2-CB 3.48Å; W103-C125 VanDerWaalsContact CD2-CB 3.48Å; W103-C125 HydrophobicContact CE3-CB 3.92Å; W103-C125 HydrophobicContact CG-CB 3.84Å; W103-C125 HydrophobicContact CH2-CB 4.21Å; W103-C125 HydrophobicContact CZ2-CB 3.79Å; W103-C125 HydrophobicContact CZ3-CB 4.27Å
104C97.8Very high96.3Very high67 Ų6755.5 Ų55.545%0.45332%0.318SS..Hα-helixtrans-61.8-40.6174.3-710000112.7P100 V101 I102 I107 A108 S126P100-C104 PolarHBondContact O-N 2.72Å; P100-C104 PolarHBondContact O-SG 2.87Å; V101-C104 PolarHBondContact O-N 3.43Å; I102-C104 PolarHBondContact O-N 3.48Å; C104-I107 PolarHBondContact O-N 3.49Å; C104-A108 PolarHBondContact O-N 2.79Å; C104-S126 PolarHBondContact SG-OG 3.5Å
105V97.9Very high96.2Very high80 Ų8055.8 Ų55.849%0.48532%0.317SS..Hα-helixtrans-63.9-42.6174.2173.30000110.7V101 I102 W103 I107 A108 L109V101-V105 WeakPolarHBondContact O-CG2 3.22Å; V101-V105 PolarHBondContact O-N 2.84Å; I102-V105 PolarHBondContact O-N 3.32Å; W103-V105 PolarHBondContact O-N 3.24Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 3.45Å; V105-A108 WeakPolarHBondContact O-CB 3.09Å; V105-A108 PolarHBondContact O-N 3.48Å; V105-A108 VanDerWaalsContact O-N 3.15Å; V105-L109 HydrophobicContact CG1-CD1 4.09Å; V105-L109 HydrophobicContact CG1-CG 4.38Å; V105-L109 WeakPolarHBondContact O-CG 3.27Å; V105-L109 PolarHBondContact O-N 3.46Å
106L96.8Very high96.3Very high26 Ų2662.2 Ų62.214%0.13634%0.341CS..Hα-helixtrans-64.6-34.5177-69.4176.1000112.8L22 Y25 I102 W103 L109 A110 C122L22-L106 HydrophobicContact CD1-CD1 3.7Å; Y25-L106 HydrophobicContact CD1-CD1 3.93Å; Y25-L106 HydrophobicContact CE1-CD1 3.92Å; Y25-L106 HydrophobicContact CE1-CD2 3.94Å; Y25-L106 HydrophobicContact CE1-CG 4.37Å; I102-L106 HydrophobicContact CG2-CD1 4.01Å; I102-L106 HydrophobicContact CG2-CG 4.35Å; I102-L106 WeakPolarHBondContact O-CG 3.29Å; I102-L106 PolarHBondContact O-N 3.45Å; W103-L106 HydrophobicContact CE3-CD1 3.6Å; W103-L106 HydrophobicContact CZ3-CD1 3.67Å; W103-L106 PolarHBondContact O-N 2.82Å; L106-L109 HydrophobicContact CD2-CD1 4.29Å; L106-L109 PolarHBondContact O-N 2.96Å; L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.24Å; L106-A110 PolarHBondContact O-N 3.3Å; L106-C122 HydrophobicContact CB-CB 4.41Å
107I97.6Very high96.1Very high39 Ų3966.7 Ų66.720%0.237%0.365CS..Hα-helixtrans-58.9-48.4170.7-67.4167.5000110.1W103 C104 V105 L109 A110 F111 M119 C122 I123W103-I107 WeakPolarHBondContact O-CG1 3.43Å; W103-I107 PolarHBondContact O-N 3.45Å; C104-I107 PolarHBondContact O-N 3.49Å; V105-I107 VanDerWaalsContact C-N 3.33Å; V105-I107 PolarHBondContact O-N 3.45Å; I107-L109 PolarHBondContact O-N 3.43Å; I107-A110 PolarHBondContact O-N 2.83Å; I107-F111 WeakPolarHBondContact O-CB 3.3Å; I107-F111 PolarHBondContact O-N 2.93Å; I107-M119 HydrophobicContact CG2-CG 4.3Å; I107-C122 HydrophobicContact CB-CB 4.45Å; I107-C122 HydrophobicContact CD1-CB 4.45Å; I107-C122 HydrophobicContact CG1-CB 3.43Å; I107-C122 VanDerWaalsContact CG1-CB 3.43Å; I107-I123 HydrophobicContact CD1-CG1 3.9Å; I107-I123 HydrophobicContact CG1-CG1 4.1Å; I107-I123 HydrophobicContact CG2-CG1 4.47Å
108A97.5Very high96Very high51 Ų5166.2 Ų66.242%0.42136%0.356SS..Hα-helixtrans-62.4-42.3179.500000112C104 V105 F111 I112C104-A108 PolarHBondContact O-N 2.79Å; V105-A108 WeakPolarHBondContact O-CB 3.09Å; V105-A108 PolarHBondContact O-N 3.48Å; V105-A108 VanDerWaalsContact O-N 3.15Å; A108-F111 PolarHBondContact O-N 3Å; A108-I112 VanDerWaalsContact O-CG1 3.31Å; A108-I112 WeakPolarHBondContact O-CG1 3.41Å; A108-I112 PolarHBondContact O-N 3.45Å
109L96.4Very high95.9Very high91 Ų9164.6 Ų64.648%0.47634%0.344SS..Hα-helixtrans-65.4-42.2176.4-67.7175.3000112.3V105 L106 I107 F111 I112 S113V105-L109 HydrophobicContact CG1-CD1 4.09Å; V105-L109 HydrophobicContact CG1-CG 4.38Å; V105-L109 WeakPolarHBondContact O-CG 3.27Å; V105-L109 PolarHBondContact O-N 3.46Å; L106-L109 HydrophobicContact CD2-CD1 4.29Å; L106-L109 PolarHBondContact O-N 2.96Å; I107-L109 PolarHBondContact O-N 3.43Å; L109-F111 VanDerWaalsContact C-N 3.32Å; L109-I112 PolarHBondContact O-N 3.26Å; L109-S113 WeakPolarHBondContact O-CB 3.48Å; L109-S113 PolarHBondContact O-N 2.84Å; L109-S113 PolarHBondContact O-OG 3.35Å
110A94.9Very high95.9Very high4 Ų467.7 Ų67.73%0.03337%0.365CS..Hα-helixtrans-65.9-36.6177.300000111.9L106 I107 S113 L114 N115 M119L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.24Å; L106-A110 PolarHBondContact O-N 3.3Å; I107-A110 PolarHBondContact O-N 2.83Å; A110-S113 CarbonylContact O-C 3.28Å; A110-S113 PolarHBondContact O-N 3.05Å; A110-L114 PolarHBondContact O-N 2.9Å; A110-L114 VanDerWaalsContact O-N 3.09Å; A110-N115 PolarHBondContact O-N 2.88Å; A110-M119 HydrophobicContact CB-CB 3.88Å; A110-M119 HydrophobicContact CB-CG 4.22Å
111F96.8Very high95.9Very high119 Ų11967.3 Ų67.352%0.52236%0.362SS..Hα-helixtrans-63.9-48.7174.2-177.3-94.1000111.7I107 A108 L109 S113 L114 W116 M119I107-F111 WeakPolarHBondContact O-CB 3.3Å; I107-F111 PolarHBondContact O-N 2.93Å; A108-F111 PolarHBondContact O-N 3Å; L109-F111 VanDerWaalsContact C-N 3.32Å; F111-S113 VanDerWaalsContact C-N 3.25Å; F111-S113 PolarHBondContact O-N 3.02Å; F111-L114 PolarHBondContact O-N 2.97Å; F111-L114 VanDerWaalsContact O-N 3.08Å; F111-W116 HydrophobicContact CD2-CH2 4.05Å; F111-W116 HydrophobicContact CD2-CZ3 4.02Å; F111-W116 AromaticContact CE2-CH2 3.89Å; F111-W116 HydrophobicContact CE2-CH2 3.89Å; F111-W116 HydrophobicContact CE2-CZ3 4.22Å; F111-M119 HydrophobicContact CB-SD 4.2Å; F111-M119 HydrophobicContact CD2-SD 4.09Å
112I96.9Very high95.9Very high131 Ų13163.3 Ų63.367%0.67234%0.338SS*.Hα-helixtrans-62-36.7176.6-66.6165.5000111A108 L109 L114A108-I112 VanDerWaalsContact O-CG1 3.31Å; A108-I112 WeakPolarHBondContact O-CG1 3.41Å; A108-I112 PolarHBondContact O-N 3.45Å; L109-I112 PolarHBondContact O-N 3.26Å; I112-L114 PolarHBondContact O-N 3.36Å
113S93.9Very high95.9Very high69 Ų6964 Ų6448%0.48334%0.341SS..THydrogen-bonded Turntrans-79.3-1.2178.3-50.70000113.8L109 A110 F111 N115L109-S113 WeakPolarHBondContact O-CB 3.48Å; L109-S113 PolarHBondContact O-N 2.84Å; L109-S113 PolarHBondContact O-OG 3.35Å; A110-S113 CarbonylContact O-C 3.28Å; A110-S113 PolarHBondContact O-N 3.05Å; F111-S113 VanDerWaalsContact C-N 3.25Å; F111-S113 PolarHBondContact O-N 3.02Å; S113-N115 WeakPolarHBondContact CB-ND2 3.3Å; S113-N115 PolarHBondContact O-N 3.15Å; S113-N115 VanDerWaalsContact O-N 3.13Å
114L94.7Very high95.9Very high118 Ų11866.7 Ų66.762%0.61835%0.353SS*.THydrogen-bonded Turntrans53.827-175.6-58.3175.2000114.3A110 F111 I112 W116A110-L114 PolarHBondContact O-N 2.9Å; A110-L114 VanDerWaalsContact O-N 3.09Å; F111-L114 PolarHBondContact O-N 2.97Å; F111-L114 VanDerWaalsContact O-N 3.08Å; I112-L114 PolarHBondContact O-N 3.36Å; L114-W116 HydrophobicContact CD2-CZ2 4.21Å; L114-W116 PolarHBondContact O-N 3.48Å
115N91.4Very high95.9Very high82 Ų8263.5 Ų63.544%0.43933%0.332SS..  trans-91.572.7-178.2-79.4-45000110.9A110 S113 N117 W118 M119A110-N115 PolarHBondContact O-N 2.88Å; S113-N115 WeakPolarHBondContact CB-ND2 3.3Å; S113-N115 PolarHBondContact O-N 3.15Å; S113-N115 VanDerWaalsContact O-N 3.13Å; N115-N117 VanDerWaalsContact C-N 3.32Å; N115-N117 PolarHBondContact O-N 3.29Å; N115-W118 HydrophobicContact CB-CB 4.36Å; N115-W118 PolarHBondContact O-N 3.26Å; N115-W118 VanDerWaalsContact O-N 3.17Å; N115-M119 PolarHBondContact O-N 3.26Å
116W94.1Very high95.9Very high135 Ų13560.7 Ų60.751%0.51132%0.316SS..Hα-helixtrans-56-40.7-174-59112.2000114.2F111 L114 W118 M119 V120F111-W116 HydrophobicContact CD2-CH2 4.05Å; F111-W116 HydrophobicContact CD2-CZ3 4.02Å; F111-W116 AromaticContact CE2-CH2 3.89Å; F111-W116 HydrophobicContact CE2-CH2 3.89Å; F111-W116 HydrophobicContact CE2-CZ3 4.22Å; L114-W116 HydrophobicContact CD2-CZ2 4.21Å; L114-W116 PolarHBondContact O-N 3.48Å; W116-W118 PolarHBondContact O-N 3.43Å; W116-M119 HydrophobicContact CE3-CE 3.4Å; W116-M119 VanDerWaalsContact CE3-CE 3.4Å; W116-M119 HydrophobicContact CE3-SD 3.82Å; W116-M119 HydrophobicContact CZ3-CE 3.53Å; W116-M119 HydrophobicContact CZ3-SD 3.73Å; W116-M119 WeakPolarHBondContact O-CB 3.11Å; W116-M119 PolarHBondContact O-N 3.03Å; W116-V120 WeakPolarHBondContact O-CG2 3.16Å; W116-V120 PolarHBondContact O-N 3.03Å; W116-V120 VanDerWaalsContact O-N 3.11Å
117N92.9Very high96Very high101 Ų10164.8 Ų64.854%0.5434%0.337SS..Hα-helixtrans-57.8-47.7178.6-68.4-23.4000111.6F35 N115 V120F35-N117 HydrophobicContact CD1-CB 4.38Å; F35-N117 HydrophobicContact CD2-CB 3.96Å; F35-N117 HydrophobicContact CE1-CB 4.06Å; F35-N117 HydrophobicContact CE2-CB 3.62Å; F35-N117 WeakPolarHBondContact CE2-O 3.04Å; F35-N117 HydrophobicContact CG-CB 4.34Å; F35-N117 HydrophobicContact CZ-CB 3.67Å; F35-N117 VanDerWaalsContact CZ-O 3.24Å; F35-N117 WeakPolarHBondContact CZ-O 3.35Å; N115-N117 VanDerWaalsContact C-N 3.32Å; N115-N117 PolarHBondContact O-N 3.29Å; N117-V120 PolarHBondContact O-N 3.01Å
118W93.9Very high95.9Very high56 Ų5665.3 Ų65.321%0.21234%0.339CS..Hα-helixtrans-73.7-30178.8-67.4104.8000112.5Y25 F35 T38 N115 W116 V120 V121 C122Y25-W118 AromaticContact CD2-CE3 3.78Å; Y25-W118 HydrophobicContact CD2-CE3 3.78Å; Y25-W118 HydrophobicContact CD2-CZ3 4.14Å; Y25-W118 HydrophobicContact CE2-CB 4.12Å; Y25-W118 HydrophobicContact CE2-CD2 4.4Å; Y25-W118 AromaticContact CE2-CE3 3.62Å; Y25-W118 HydrophobicContact CE2-CE3 3.62Å; Y25-W118 HydrophobicContact CE2-CZ3 4.42Å; F35-W118 HydrophobicContact CD2-CD2 4.5Å; F35-W118 HydrophobicContact CD2-CZ2 4.48Å; T38-W118 HydrophobicContact CG2-CH2 3.88Å; T38-W118 HydrophobicContact CG2-CZ3 4.1Å; N115-W118 HydrophobicContact CB-CB 4.36Å; N115-W118 PolarHBondContact O-N 3.26Å; N115-W118 VanDerWaalsContact O-N 3.17Å; W116-W118 PolarHBondContact O-N 3.43Å; W118-V120 VanDerWaalsContact C-N 3.32Å; W118-V120 PolarHBondContact O-N 2.8Å; W118-V121 WeakPolarHBondContact O-CB 3.35Å; W118-V121 PolarHBondContact O-N 3.33Å; W118-C122 PolarHBondContact O-N 3.34Å; W118-C122 PolarHBondContact O-SG 3.47Å
119M95.7Very high95.9Very high29 Ų2963.2 Ų63.214%0.14332%0.321CS..Hα-helixtrans-62.1-39.8174.9-166-174.777.400111.8I107 A110 F111 N115 W116 V121 C122 I123I107-M119 HydrophobicContact CG2-CG 4.3Å; A110-M119 HydrophobicContact CB-CB 3.88Å; A110-M119 HydrophobicContact CB-CG 4.22Å; F111-M119 HydrophobicContact CB-SD 4.2Å; F111-M119 HydrophobicContact CD2-SD 4.09Å; N115-M119 PolarHBondContact O-N 3.26Å; W116-M119 HydrophobicContact CE3-CE 3.4Å; W116-M119 VanDerWaalsContact CE3-CE 3.4Å; W116-M119 HydrophobicContact CE3-SD 3.82Å; W116-M119 HydrophobicContact CZ3-CE 3.53Å; W116-M119 HydrophobicContact CZ3-SD 3.73Å; W116-M119 WeakPolarHBondContact O-CB 3.11Å; W116-M119 PolarHBondContact O-N 3.03Å; M119-V121 VanDerWaalsContact C-N 3.3Å; M119-V121 PolarHBondContact O-N 3.34Å; M119-C122 PolarHBondContact O-N 3.42Å; M119-I123 HydrophobicContact CE-CD1 3.92Å; M119-I123 HydrophobicContact CG-CD1 4.17Å; M119-I123 WeakPolarHBondContact O-CG1 3.44Å; M119-I123 PolarHBondContact O-N 2.92Å
120V95.9Very high96Very high81 Ų8160 Ų6049%0.49131%0.31SS..Hα-helixtrans-59.9-41.1176.4173.50000111.3W116 N117 W118 I123 F124W116-V120 WeakPolarHBondContact O-CG2 3.16Å; W116-V120 PolarHBondContact O-N 3.03Å; W116-V120 VanDerWaalsContact O-N 3.11Å; N117-V120 PolarHBondContact O-N 3.01Å; W118-V120 VanDerWaalsContact C-N 3.32Å; W118-V120 PolarHBondContact O-N 2.8Å; V120-I123 PolarHBondContact O-N 3.19Å; V120-F124 PolarHBondContact O-N 3.06Å
121V96Very high96.1Very high1 Ų162 Ų621%0.00632%0.324CS..Hα-helixtrans-58.6-49.3174.7179.40000110.6Y25 F35 F39 I42 W118 M119 I123 F124 C125Y25-V121 HydrophobicContact CD2-CB 4.45Å; Y25-V121 HydrophobicContact CD2-CG1 4Å; Y25-V121 HydrophobicContact CE2-CB 4.46Å; Y25-V121 HydrophobicContact CE2-CG1 4.47Å; F35-V121 HydrophobicContact CE2-CG2 4.02Å; F35-V121 HydrophobicContact CZ-CG2 4.31Å; F39-V121 HydrophobicContact CD2-CG2 3.65Å; F39-V121 HydrophobicContact CE2-CG2 4.36Å; I42-V121 HydrophobicContact CB-CG1 4.32Å; I42-V121 HydrophobicContact CD1-CG1 3.85Å; I42-V121 HydrophobicContact CG2-CG1 3.71Å; W118-V121 WeakPolarHBondContact O-CB 3.35Å; W118-V121 PolarHBondContact O-N 3.33Å; M119-V121 VanDerWaalsContact C-N 3.3Å; M119-V121 PolarHBondContact O-N 3.34Å; V121-I123 VanDerWaalsContact C-N 3.34Å; V121-I123 PolarHBondContact O-N 2.86Å; V121-F124 PolarHBondContact O-N 3.08Å; V121-C125 PolarHBondContact O-N 3.3Å; V121-C125 PolarHBondContact O-SG 3.15Å
122C97.1Very high96.1Very high0 Ų056.5 Ų56.50%030%0.299CS..Hα-helixtrans-64.8-37.8-178.4-57.50000112.5Y25 W103 L106 I107 W118 M119 C125 S126Y25-C122 WeakPolarHBondContact CE2-SG 3.27Å; Y25-C122 PolarHBondContact OH-SG 3.22Å; W103-C122 HydrophobicContact CE3-CB 4.39Å; L106-C122 HydrophobicContact CB-CB 4.41Å; I107-C122 HydrophobicContact CB-CB 4.45Å; I107-C122 HydrophobicContact CD1-CB 4.45Å; I107-C122 HydrophobicContact CG1-CB 3.43Å; I107-C122 VanDerWaalsContact CG1-CB 3.43Å; W118-C122 PolarHBondContact O-N 3.34Å; W118-C122 PolarHBondContact O-SG 3.47Å; M119-C122 PolarHBondContact O-N 3.42Å; C122-C125 PolarHBondContact O-N 3.04Å; C122-S126 VanDerWaalsContact O-CB 3.27Å; C122-S126 WeakPolarHBondContact O-CB 3.36Å; C122-S126 PolarHBondContact O-N 3.22Å
123I97.9Very high96.1Very high64 Ų6451.8 Ų51.833%0.32828%0.275SS..Hα-helixtrans-61.2-48.6175.3-70.5167.8000110.3I107 M119 V120 V121 C125 S126 I127I107-I123 HydrophobicContact CD1-CG1 3.9Å; I107-I123 HydrophobicContact CG1-CG1 4.1Å; I107-I123 HydrophobicContact CG2-CG1 4.47Å; M119-I123 HydrophobicContact CE-CD1 3.92Å; M119-I123 HydrophobicContact CG-CD1 4.17Å; M119-I123 WeakPolarHBondContact O-CG1 3.44Å; M119-I123 PolarHBondContact O-N 2.92Å; V120-I123 PolarHBondContact O-N 3.19Å; V121-I123 VanDerWaalsContact C-N 3.34Å; V121-I123 PolarHBondContact O-N 2.86Å; I123-C125 PolarHBondContact O-N 3.41Å; I123-S126 PolarHBondContact O-N 3.48Å; I123-I127 HydrophobicContact CG2-CD1 3.87Å; I123-I127 WeakPolarHBondContact O-CG1 3.44Å; I123-I127 PolarHBondContact O-N 3.42Å
124F97.8Very high96.3Very high56 Ų5654.8 Ų54.825%0.24628%0.28CS..Hα-helixtrans-57.5-48.2177.4174.7-93.4000111.9V43 E46 V120 V121 S126 I127 M128V43-F124 HydrophobicContact CB-CE1 4.18Å; V43-F124 HydrophobicContact CB-CZ 4.46Å; V43-F124 HydrophobicContact CG1-CE1 4.05Å; V43-F124 HydrophobicContact CG1-CZ 3.84Å; V43-F124 HydrophobicContact CG2-CD1 4.07Å; V43-F124 HydrophobicContact CG2-CE1 3.92Å; V43-F124 HydrophobicContact CG2-CZ 4.32Å; E46-F124 HydrophobicContact CB-CE1 4.28Å; E46-F124 HydrophobicContact CG-CE1 4.29Å; V120-F124 PolarHBondContact O-N 3.06Å; V121-F124 PolarHBondContact O-N 3.08Å; F124-S126 PolarHBondContact O-N 3.32Å; F124-I127 PolarHBondContact O-N 3.26Å; F124-M128 HydrophobicContact CD1-CG 4.44Å; F124-M128 HydrophobicContact CE1-CE 4.48Å; F124-M128 HydrophobicContact CE1-CG 3.94Å; F124-M128 HydrophobicContact CE2-CE 3.62Å; F124-M128 HydrophobicContact CE2-CG 4.26Å; F124-M128 HydrophobicContact CZ-CE 3.5Å; F124-M128 HydrophobicContact CZ-CG 3.85Å; F124-M128 PolarHBondContact O-N 3.04Å
125C98Very high96.4Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-66.5-37.3-179.6-57.40000112.2E46 W103 V121 C122 I123 M128 T129E46-C125 HydrophobicContact CG-CB 4.19Å; W103-C125 HydrophobicContact CD2-CB 3.48Å; W103-C125 VanDerWaalsContact CD2-CB 3.48Å; W103-C125 HydrophobicContact CE3-CB 3.92Å; W103-C125 HydrophobicContact CG-CB 3.84Å; W103-C125 HydrophobicContact CH2-CB 4.21Å; W103-C125 HydrophobicContact CZ2-CB 3.79Å; W103-C125 HydrophobicContact CZ3-CB 4.27Å; V121-C125 PolarHBondContact O-N 3.3Å; V121-C125 PolarHBondContact O-SG 3.15Å; C122-C125 PolarHBondContact O-N 3.04Å; I123-C125 PolarHBondContact O-N 3.41Å; C125-M128 PolarHBondContact O-N 2.96Å; C125-T129 WeakPolarHBondContact O-CB 3.5Å; C125-T129 PolarHBondContact O-N 3.38Å; C125-T129 PolarHBondContact O-OG1 2.95Å
126S97.7Very high96.6Very high22 Ų2245.4 Ų45.415%0.15423%0.231CC..Hα-helixtrans-62.9-41.2174.2-177.50000111.9C104 C122 I123 F124 T129 G130C104-S126 PolarHBondContact SG-OG 3.5Å; C122-S126 VanDerWaalsContact O-CB 3.27Å; C122-S126 WeakPolarHBondContact O-CB 3.36Å; C122-S126 PolarHBondContact O-N 3.22Å; I123-S126 PolarHBondContact O-N 3.48Å; F124-S126 PolarHBondContact O-N 3.32Å; S126-T129 PolarHBondContact O-OG1 2.98Å; S126-G130 VanDerWaalsContact O-CA 3.28Å; S126-G130 WeakPolarHBondContact O-CA 3.18Å; S126-G130 PolarHBondContact O-N 3.25Å
127I98.1Very high96.7Very high112 Ų11241.5 Ų41.557%0.57422%0.22SC*.Hα-helixtrans-65.5-46.6176.1-68.4168.4000111I123 F124 G130 S131I123-I127 HydrophobicContact CG2-CD1 3.87Å; I123-I127 WeakPolarHBondContact O-CG1 3.44Å; I123-I127 PolarHBondContact O-N 3.42Å; F124-I127 PolarHBondContact O-N 3.26Å; I127-G130 PolarHBondContact O-N 3.02Å; I127-S131 VanDerWaalsContact O-CB 3.32Å; I127-S131 WeakPolarHBondContact O-CB 3.43Å; I127-S131 PolarHBondContact O-N 3.41Å
128M97.1Very high96.8Very high49 Ų4942.3 Ų42.324%0.24122%0.215CC..Hα-helixtrans-62.7-52.5-179.5-76.8-63.9-175.800112E46 F50 F124 C125 S131 N132E46-M128 HydrophobicContact CG-CB 4.04Å; E46-M128 HydrophobicContact CG-CG 4.44Å; F50-M128 HydrophobicContact CB-SD 4.36Å; F50-M128 WeakPolarHBondContact CD2-O 3.37Å; F50-M128 HydrophobicContact CD2-SD 4.22Å; F50-M128 HydrophobicContact CG-SD 4.12Å; F124-M128 HydrophobicContact CD1-CG 4.44Å; F124-M128 HydrophobicContact CE1-CE 4.48Å; F124-M128 HydrophobicContact CE1-CG 3.94Å; F124-M128 HydrophobicContact CE2-CE 3.62Å; F124-M128 HydrophobicContact CE2-CG 4.26Å; F124-M128 HydrophobicContact CZ-CE 3.5Å; F124-M128 HydrophobicContact CZ-CG 3.85Å; F124-M128 PolarHBondContact O-N 3.04Å; C125-M128 PolarHBondContact O-N 2.96Å; M128-S131 PolarHBondContact O-N 3.44Å; M128-N132 PolarHBondContact O-N 3.3Å
129T97.1Very high96.7Very high7 Ų739.6 Ų39.64%0.04321%0.205CC..Hα-helixtrans-63.8-40.8175.752.10000112.4E46 F99 P100 C125 S126 S131 N132 L133E46-T129 WeakPolarHBondContact OE1-CG2 3.14Å; F99-T129 HydrophobicContact CB-CG2 4.45Å; P100-T129 WeakPolarHBondContact CA-OG1 3.45Å; P100-T129 WeakPolarHBondContact CB-OG1 3.4Å; C125-T129 WeakPolarHBondContact O-CB 3.5Å; C125-T129 PolarHBondContact O-N 3.38Å; C125-T129 PolarHBondContact O-OG1 2.95Å; S126-T129 PolarHBondContact O-OG1 2.98Å; T129-S131 PolarHBondContact O-N 3.47Å; T129-N132 PolarHBondContact O-N 3.27Å; T129-L133 PolarHBondContact O-N 3.01Å
130G97.6Very high96.5Very high24 Ų2442.2 Ų42.225%0.24722%0.216CC..Hα-helixtrans-63.6-37.8178.800000113.2S126 I127 N132 L133 F134S126-G130 VanDerWaalsContact O-CA 3.28Å; S126-G130 WeakPolarHBondContact O-CA 3.18Å; S126-G130 PolarHBondContact O-N 3.25Å; I127-G130 PolarHBondContact O-N 3.02Å; G130-N132 PolarHBondContact O-N 2.78Å; G130-L133 PolarHBondContact O-N 2.81Å; G130-F134 WeakPolarHBondContact O-CB 3.34Å; G130-F134 PolarHBondContact O-N 3.44Å
131S97.2Very high96.2Very high47 Ų4745.2 Ų45.233%0.32922%0.218SC..Hα-helixtrans-59.7-46.3174.5-1800000111.5I127 M128 T129 F134 G135I127-S131 VanDerWaalsContact O-CB 3.32Å; I127-S131 WeakPolarHBondContact O-CB 3.43Å; I127-S131 PolarHBondContact O-N 3.41Å; M128-S131 PolarHBondContact O-N 3.44Å; T129-S131 PolarHBondContact O-N 3.47Å; S131-F134 PolarHBondContact O-N 2.94Å; S131-G135 PolarHBondContact O-N 2.95Å
132N97.5Very high95.9Very high2 Ų249.2 Ų49.21%0.01124%0.237CC..Hα-helixtrans-61.3-48.1174.2-91.7-38.9000111.6F50 V53 K54 W66 L96 M128 T129 G130 F134 G135 Y136F50-N132 WeakPolarHBondContact CA-ND2 3.29Å; F50-N132 WeakPolarHBondContact CD2-ND2 3.36Å; F50-N132 PolarHBondContact O-ND2 3.32Å; F50-N132 VanDerWaalsContact O-ND2 3.08Å; V53-N132 HydrophobicContact CG1-CB 3.97Å; K54-N132 WeakPolarHBondContact CB-OD1 3.46Å; W66-N132 WeakPolarHBondContact CZ2-OD1 3.33Å; L96-N132 HydrophobicContact CD1-CB 3.99Å; M128-N132 PolarHBondContact O-N 3.3Å; T129-N132 PolarHBondContact O-N 3.27Å; G130-N132 PolarHBondContact O-N 2.78Å; N132-F134 VanDerWaalsContact C-N 3.33Å; N132-F134 PolarHBondContact O-N 3.38Å; N132-G135 PolarHBondContact O-N 2.97Å; N132-Y136 WeakPolarHBondContact O-CD2 3.3Å; N132-Y136 PolarHBondContact O-N 3.25Å
133L97.7Very high95.3Very high32 Ų3251 Ų5117%0.16825%0.249CC..Hα-helixtrans-56.2-48.8178176.359.5000111.4L96 V97 P100 T129 G130 Y136 L137L96-L133 HydrophobicContact CD2-CD1 3.98Å; L96-L133 HydrophobicContact CG-CB 4.19Å; L96-L133 HydrophobicContact CG-CD1 3.87Å; V97-L133 HydrophobicContact CG2-CD1 3.74Å; P100-L133 HydrophobicContact CG-CD2 3.88Å; T129-L133 PolarHBondContact O-N 3.01Å; G130-L133 PolarHBondContact O-N 2.81Å; L133-Y136 PolarHBondContact O-N 2.92Å; L133-L137 HydrophobicContact CD1-CD1 3.87Å; L133-L137 HydrophobicContact CD1-CG 3.94Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 VanDerWaalsContact O-CB 3.3Å; L133-L137 WeakPolarHBondContact O-CB 3.43Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 2.97Å; L133-L137 PolarHBondContact O-N 2.81Å
134F97Very high94.7Very high133 Ų13356 Ų5658%0.58326%0.264SS*.Hα-helixtrans-59.4-48.6178.2179.6-101000112G130 S131 N132 Y136 L137 R138G130-F134 WeakPolarHBondContact O-CB 3.34Å; G130-F134 PolarHBondContact O-N 3.44Å; S131-F134 PolarHBondContact O-N 2.94Å; N132-F134 VanDerWaalsContact C-N 3.33Å; N132-F134 PolarHBondContact O-N 3.38Å; F134-Y136 PolarHBondContact O-N 3.11Å; F134-L137 PolarHBondContact O-N 2.95Å; F134-R138 HydrophobicContact CD1-CG 4.4Å; F134-R138 HydrophobicContact CE1-CG 4.01Å; F134-R138 HydrophobicContact CE2-CG 4.17Å; F134-R138 HydrophobicContact CZ-CG 3.89Å; F134-R138 WeakPolarHBondContact O-CG 3.42Å; F134-R138 PolarHBondContact O-N 3.49Å
135G96.8Very high94.2Very high2 Ų259 Ų592%0.02128%0.279CS..Hα-helixtrans-58.9-45.3179.700000113S131 N132 R138 C139S131-G135 PolarHBondContact O-N 2.95Å; N132-G135 PolarHBondContact O-N 2.97Å; G135-R138 PolarHBondContact O-N 3.21Å; G135-C139 PolarHBondContact O-N 3.08Å; G135-C139 PolarHBondContact O-SG 3.3Å
136Y96Very high93.7Very high0 Ų062.6 Ų62.60%030%0.296CS..Hα-helixtrans-71.8-36.9178.3-76.4-66000113.3V53 K54 G58 L64 W66 F92 W93 L96 N132 L133 F134 R138 C139 K140V53-Y136 HydrophobicContact CG1-CE2 3.94Å; V53-Y136 PolarHBondContact O-OH 3.37Å; K54-Y136 VanDerWaalsContact CA-OH 3.24Å; K54-Y136 WeakPolarHBondContact CA-OH 3.11Å; K54-Y136 PolarHBondContact O-OH 3.03Å; G58-Y136 WeakPolarHBondContact CA-OH 3.36Å; L64-Y136 HydrophobicContact CB-CD1 3.65Å; L64-Y136 HydrophobicContact CB-CE1 3.7Å; L64-Y136 HydrophobicContact CD1-CD1 3.98Å; L64-Y136 HydrophobicContact CG-CD1 4.46Å; W66-Y136 AromaticContact CD1-CZ 3.91Å; W66-Y136 AromaticContact NE1-CD2 3.98Å; W66-Y136 AromaticContact NE1-CE2 3.62Å; W66-Y136 AromaticContact NE1-CZ 3.89Å; F92-Y136 HydrophobicContact CE1-CD1 4.23Å; F92-Y136 HydrophobicContact CE1-CD2 4.33Å; F92-Y136 HydrophobicContact CE1-CG 4.13Å; F92-Y136 HydrophobicContact CZ-CD1 4.02Å; F92-Y136 AromaticContact CZ-CD2 3.81Å; F92-Y136 HydrophobicContact CZ-CD2 3.81Å; F92-Y136 AromaticContact CZ-CE1 3.99Å; F92-Y136 HydrophobicContact CZ-CE1 3.99Å; F92-Y136 AromaticContact CZ-CE2 3.81Å; F92-Y136 HydrophobicContact CZ-CE2 3.81Å; F92-Y136 AromaticContact CZ-CG 3.96Å; F92-Y136 HydrophobicContact CZ-CG 3.96Å; F92-Y136 AromaticContact CZ-CZ 3.9Å; W93-Y136 WeakPolarHBondContact CH2-O 3.35Å; L96-Y136 HydrophobicContact CD1-CD2 4.08Å; L96-Y136 HydrophobicContact CD2-CD2 3.8Å; L96-Y136 HydrophobicContact CD2-CG 4Å; N132-Y136 WeakPolarHBondContact O-CD2 3.3Å; N132-Y136 PolarHBondContact O-N 3.25Å; L133-Y136 PolarHBondContact O-N 2.92Å; F134-Y136 PolarHBondContact O-N 3.11Å; Y136-R138 VanDerWaalsContact C-N 3.3Å; Y136-R138 PolarHBondContact O-N 2.97Å; Y136-C139 WeakPolarHBondContact O-CB 3.3Å; Y136-C139 PolarHBondContact O-N 3.37Å; Y136-K140 PolarHBondContact O-N 3.21Å
137L95.6Very high93.1Very high53 Ų5366.5 Ų66.528%0.27731%0.314SS..Hα-helixtrans-59.2-45.1173.6-80.7177.4000110.7W93 L133 F134 C139 K140 W141W93-L137 HydrophobicContact CH2-CD2 4.37Å; W93-L137 HydrophobicContact CZ3-CD2 3.81Å; W93-L137 HydrophobicContact CZ3-CG 4.18Å; L133-L137 HydrophobicContact CD1-CD1 3.87Å; L133-L137 HydrophobicContact CD1-CG 3.94Å; L133-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CG-CG 4.39Å; L133-L137 VanDerWaalsContact O-CB 3.3Å; L133-L137 WeakPolarHBondContact O-CB 3.43Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 2.97Å; L133-L137 PolarHBondContact O-N 2.81Å; F134-L137 PolarHBondContact O-N 2.95Å; L137-C139 PolarHBondContact O-N 3Å; L137-K140 PolarHBondContact O-N 3.1Å; L137-K140 VanDerWaalsContact O-N 3.15Å; L137-W141 VanDerWaalsContact C-CE3 3.43Å; L137-W141 HydrophobicContact CB-CE3 3.97Å; L137-W141 HydrophobicContact CB-CH2 4.29Å; L137-W141 HydrophobicContact CB-CZ3 3.51Å; L137-W141 HydrophobicContact CD1-CH2 4.41Å; L137-W141 HydrophobicContact CD1-CZ3 4.28Å; L137-W141 HydrophobicContact CD2-CH2 4.19Å; L137-W141 HydrophobicContact CD2-CZ3 4.22Å; L137-W141 HydrophobicContact CG-CZ3 4.22Å; L137-W141 PolarHBondContact O-N 3.42Å
138R94.5Very high92.7Very high118 Ų11863.7 Ų63.745%0.44530%0.304SS..Hα-helixtrans-61-41.7173.7-69.2-69.3-67.4170.1-2112.4Y80 F134 G135 Y136 K140 W141 H142Y80-R138 HydrophobicContact CD1-CB 4.11Å; Y80-R138 HydrophobicContact CE1-CB 3.44Å; Y80-R138 VanDerWaalsContact CE1-CB 3.44Å; Y80-R138 HydrophobicContact CE1-CG 4.47Å; Y80-R138 HydrophobicContact CE2-CB 4.37Å; F134-R138 HydrophobicContact CD1-CG 4.4Å; F134-R138 HydrophobicContact CE1-CG 4.01Å; F134-R138 HydrophobicContact CE2-CG 4.17Å; F134-R138 HydrophobicContact CZ-CG 3.89Å; F134-R138 WeakPolarHBondContact O-CG 3.42Å; F134-R138 PolarHBondContact O-N 3.49Å; G135-R138 PolarHBondContact O-N 3.21Å; Y136-R138 VanDerWaalsContact C-N 3.3Å; Y136-R138 PolarHBondContact O-N 2.97Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 2.88Å; R138-W141 PolarHBondContact O-N 2.93Å; R138-H142 WeakPolarHBondContact O-CB 3.4Å; R138-H142 PolarHBondContact O-N 3.45Å
139C93.1Very high92.4Very high0 Ų064.1 Ų64.10%031%0.312CS..Hα-helixtrans-54.9-47.3171.5-71.60000112.1L64 Y80 G135 Y136 L137 H142 S143L64-C139 HydrophobicContact CB-CB 4.34Å; L64-C139 HydrophobicContact CD1-CB 4.18Å; L64-C139 HydrophobicContact CD2-CB 4.25Å; L64-C139 HydrophobicContact CG-CB 4.49Å; Y80-C139 HydrophobicContact CD1-CB 4.37Å; Y80-C139 VanDerWaalsContact CD1-SG 3.51Å; G135-C139 PolarHBondContact O-N 3.08Å; G135-C139 PolarHBondContact O-SG 3.3Å; Y136-C139 WeakPolarHBondContact O-CB 3.3Å; Y136-C139 PolarHBondContact O-N 3.37Å; L137-C139 PolarHBondContact O-N 3Å; C139-H142 PolarHBondContact O-N 2.71Å; C139-S143 WeakPolarHBondContact O-CB 3.39Å; C139-S143 PolarHBondContact O-N 3.2Å
140K90.9Very high92Very high84 Ų8470 Ų7037%0.36534%0.335SS..Hα-helixtrans-66.5-40.2-175.2-171.3-177.6-175175.50112W93 Y136 L137 R138 R144W93-K140 HydrophobicContact CH2-CB 3.99Å; W93-K140 HydrophobicContact CH2-CD 3.87Å; W93-K140 HydrophobicContact CZ2-CB 4.05Å; W93-K140 HydrophobicContact CZ2-CD 3.67Å; W93-K140 HydrophobicContact CZ2-CG 4.27Å; Y136-K140 PolarHBondContact O-N 3.21Å; L137-K140 PolarHBondContact O-N 3.1Å; L137-K140 VanDerWaalsContact O-N 3.15Å; R138-K140 VanDerWaalsContact C-N 3.31Å; R138-K140 PolarHBondContact O-N 2.88Å; K140-R144 WeakPolarHBondContact O-CG 3.42Å; K140-R144 PolarHBondContact O-N 3.04Å
141W90.6Very high91.6Very high143 Ų14374 Ų7454%0.54235%0.349SS..Hα-helixtrans-65.7-48.4175.1-83.6-64.3000111.7L137 R138 S143 R144 E145L137-W141 VanDerWaalsContact C-CE3 3.43Å; L137-W141 HydrophobicContact CB-CE3 3.97Å; L137-W141 HydrophobicContact CB-CH2 4.29Å; L137-W141 HydrophobicContact CB-CZ3 3.51Å; L137-W141 HydrophobicContact CD1-CH2 4.41Å; L137-W141 HydrophobicContact CD1-CZ3 4.28Å; L137-W141 HydrophobicContact CD2-CH2 4.19Å; L137-W141 HydrophobicContact CD2-CZ3 4.22Å; L137-W141 HydrophobicContact CG-CZ3 4.22Å; L137-W141 PolarHBondContact O-N 3.42Å; R138-W141 PolarHBondContact O-N 2.93Å; W141-S143 VanDerWaalsContact C-N 3.33Å; W141-S143 PolarHBondContact O-N 3Å; W141-R144 PolarHBondContact O-N 2.83Å; W141-R144 VanDerWaalsContact O-N 3.11Å; W141-E145 PolarHBondContact O-N 3.32Å; W141-E145 VanDerWaalsContact O-N 3.08Å
142H87.9Confident91.5Very high85 Ų8578.7 Ų78.739%0.39436%0.364SS..Hα-helixtrans-59.3-44179-168.963.3000112R138 C139 R144 E145 E146R138-H142 WeakPolarHBondContact O-CB 3.4Å; R138-H142 PolarHBondContact O-N 3.45Å; C139-H142 PolarHBondContact O-N 2.71Å; H142-R144 VanDerWaalsContact C-N 3.29Å; H142-R144 PolarHBondContact O-N 3.24Å; H142-E145 PolarHBondContact O-N 2.92Å; H142-E146 WeakPolarHBondContact O-CB 3.31Å; H142-E146 PolarHBondContact O-N 3.47Å
143S85Confident91.2Very high38 Ų3885 Ų8527%0.26639%0.394SS..Hα-helixtrans-58.3-38.6176-172.80000113.5C82 C139 W141 L147C82-S143 VanDerWaalsContact SG-CB 3.51Å; C139-S143 WeakPolarHBondContact O-CB 3.39Å; C139-S143 PolarHBondContact O-N 3.2Å; W141-S143 VanDerWaalsContact C-N 3.33Å; W141-S143 PolarHBondContact O-N 3Å; S143-L147 WeakPolarHBondContact O-CB 3.26Å; S143-L147 PolarHBondContact O-N 3.06Å
144R85.6Confident91Very high170 Ų17086 Ų8664%0.64240%0.403SS*.Hα-helixtrans-70.1-40.7178.5-78-171.7170.5-146.8-2.4112K140 W141 H142 S148K140-R144 WeakPolarHBondContact O-CG 3.42Å; K140-R144 PolarHBondContact O-N 3.04Å; W141-R144 PolarHBondContact O-N 2.83Å; W141-R144 VanDerWaalsContact O-N 3.11Å; H142-R144 VanDerWaalsContact C-N 3.29Å; H142-R144 PolarHBondContact O-N 3.24Å; R144-S148 WeakPolarHBondContact O-CB 3.39Å; R144-S148 PolarHBondContact O-N 3.34Å
145E88.4Confident90.8Very high119 Ų11985.6 Ų85.656%0.55640%0.401SS*.Hα-helixtrans-62.2-47.1175.8-70.5171-178.900110.7W141 H142 S148 S149W141-E145 PolarHBondContact O-N 3.32Å; W141-E145 VanDerWaalsContact O-N 3.08Å; H142-E145 PolarHBondContact O-N 2.92Å; E145-S148 PolarHBondContact O-N 2.96Å; E145-S148 PolarHBondContact O-OG 2.9Å; E145-S149 PolarHBondContact O-N 2.8Å
146E85.6Confident90.6Very high75 Ų7589 Ų8935%0.3542%0.422SS..Hα-helixtrans-59.1-49.5176.9-149.6-164.3158.700111.5H142 S148 S149 Y150H142-E146 WeakPolarHBondContact O-CB 3.31Å; H142-E146 PolarHBondContact O-N 3.47Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 2.92Å; E146-S149 PolarHBondContact O-N 3.33Å; E146-S149 PolarHBondContact O-OG 3.05Å; E146-Y150 HydrophobicContact CB-CE2 4.42Å; E146-Y150 HydrophobicContact CG-CD2 4.15Å; E146-Y150 HydrophobicContact CG-CE2 3.49Å; E146-Y150 VanDerWaalsContact CG-CE2 3.49Å; E146-Y150 WeakPolarHBondContact O-CD2 3.46Å; E146-Y150 PolarHBondContact O-N 2.98Å; E146-Y150 WeakPolarHBondContact OE1-CE2 3.31Å; E146-Y150 PolarHBondContact OE1-OH 3.49Å
147L85.8Confident90.3Very high104 Ų10491.3 Ų91.355%0.54544%0.438SS..Hα-helixtrans-60.1-41.4176.1-179.362000111.8S143 S149 Y150 L151S143-L147 WeakPolarHBondContact O-CB 3.26Å; S143-L147 PolarHBondContact O-N 3.06Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 2.89Å; L147-Y150 PolarHBondContact O-N 3.39Å; L147-L151 HydrophobicContact CD1-CD1 4.41Å; L147-L151 HydrophobicContact CD1-CG 4.37Å; L147-L151 HydrophobicContact CG-CD1 4.19Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 2.9Å
148S89.4Confident90.1Very high52 Ų5293.4 Ų93.436%0.36445%0.449SS..Hα-helixtrans-65.2-37179.681.80000112.5R144 E145 E146 K152R144-S148 WeakPolarHBondContact O-CB 3.39Å; R144-S148 PolarHBondContact O-N 3.34Å; E145-S148 PolarHBondContact O-N 2.96Å; E145-S148 PolarHBondContact O-OG 2.9Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 2.92Å; S148-K152 VanDerWaalsContact O-CG 3.31Å; S148-K152 WeakPolarHBondContact O-CG 3.45Å; S148-K152 PolarHBondContact O-N 2.74Å
149S90.4Very high90Very high59 Ų5991.7 Ų91.741%0.41345%0.448SS..Hα-helixtrans-71.4-41.117968.20000110.9E145 E146 L147 L151 K152 Q153E145-S149 PolarHBondContact O-N 2.8Å; E146-S149 PolarHBondContact O-N 3.33Å; E146-S149 PolarHBondContact O-OG 3.05Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 2.89Å; S149-L151 PolarHBondContact O-N 3.43Å; S149-K152 PolarHBondContact O-N 2.89Å; S149-Q153 WeakPolarHBondContact O-CB 3.34Å; S149-Q153 PolarHBondContact O-N 3.04Å
150Y88.7Confident89.8Confident130 Ų130100.1 Ų100.151%0.5148%0.479SS..Hα-helixtrans-61.5-42.3173.2-71.5-56.2000112.9E146 L147 Q153 S154E146-Y150 HydrophobicContact CB-CE2 4.42Å; E146-Y150 HydrophobicContact CG-CD2 4.15Å; E146-Y150 HydrophobicContact CG-CE2 3.49Å; E146-Y150 VanDerWaalsContact CG-CE2 3.49Å; E146-Y150 WeakPolarHBondContact O-CD2 3.46Å; E146-Y150 PolarHBondContact O-N 2.98Å; E146-Y150 WeakPolarHBondContact OE1-CE2 3.31Å; E146-Y150 PolarHBondContact OE1-OH 3.49Å; L147-Y150 PolarHBondContact O-N 3.39Å; Y150-Q153 PolarHBondContact O-N 2.85Å; Y150-S154 WeakPolarHBondContact O-CB 3.47Å; Y150-S154 PolarHBondContact O-N 2.7Å; Y150-S154 PolarHBondContact O-OG 2.86Å
151L91.1Very high89.5Confident107 Ų107105.5 Ų105.556%0.5650%0.497SS*.Hα-helixtrans-64.7-42176.7-71.8175.7000111.9L147 S149 S154 F155L147-L151 HydrophobicContact CD1-CD1 4.41Å; L147-L151 HydrophobicContact CD1-CG 4.37Å; L147-L151 HydrophobicContact CG-CD1 4.19Å; L147-L151 VanDerWaalsContact O-CG 3.3Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 2.9Å; S149-L151 PolarHBondContact O-N 3.43Å; L151-S154 WeakPolarHBondContact CA-OG 3.49Å; L151-S154 PolarHBondContact O-OG 3.4Å; L151-F155 VanDerWaalsContact O-CB 3.31Å; L151-F155 WeakPolarHBondContact O-CB 3.35Å; L151-F155 PolarHBondContact O-N 3.22Å
152K93.7Very high89Confident147 Ų147108.6 Ų108.664%0.63951%0.509SS*.Hα-helixtrans-61.8-46.7174-74.5173.7-178.5178.50111.5S148 S149 F155 V156S148-K152 VanDerWaalsContact O-CG 3.31Å; S148-K152 WeakPolarHBondContact O-CG 3.45Å; S148-K152 PolarHBondContact O-N 2.74Å; S149-K152 PolarHBondContact O-N 2.89Å; K152-F155 PolarHBondContact O-N 3.01Å; K152-V156 WeakPolarHBondContact O-CB 3.4Å; K152-V156 VanDerWaalsContact O-CG2 3.26Å; K152-V156 WeakPolarHBondContact O-CG2 3.48Å; K152-V156 PolarHBondContact O-N 3.2Å
153Q92.6Very high88.6Confident135 Ų135110.3 Ų110.363%0.63153%0.526SS*.Hα-helixtrans-65.1-43.2-178.8-171.5177.916.800111.9S149 Y150 V156 S157S149-Q153 WeakPolarHBondContact O-CB 3.34Å; S149-Q153 PolarHBondContact O-N 3.04Å; Y150-Q153 PolarHBondContact O-N 2.85Å; Q153-V156 PolarHBondContact O-N 2.7Å; Q153-S157 WeakPolarHBondContact O-CB 3.3Å; Q153-S157 PolarHBondContact O-N 3.41Å
154S92.5Very high88.1Confident51 Ų51112 Ų11236%0.35754%0.543SS..Hα-helixtrans-63.2-45.5176.1560000111.4Y150 L151 V156 S157 L158Y150-S154 WeakPolarHBondContact O-CB 3.47Å; Y150-S154 PolarHBondContact O-N 2.7Å; Y150-S154 PolarHBondContact O-OG 2.86Å; L151-S154 WeakPolarHBondContact CA-OG 3.49Å; L151-S154 PolarHBondContact O-OG 3.4Å; S154-V156 PolarHBondContact O-N 3.17Å; S154-S157 WeakPolarHBondContact CA-OG 3.3Å; S154-S157 PolarHBondContact O-N 3.47Å; S154-S157 PolarHBondContact O-OG 3.35Å; S154-L158 VanDerWaalsContact O-CG 3.3Å; S154-L158 WeakPolarHBondContact O-CG 3.43Å; S154-L158 PolarHBondContact O-N 3.47Å
155F93.5Very high87.2Confident126 Ų126107.4 Ų107.455%0.55354%0.54SS*.Hα-helixtrans-58.8-47.2174.4-177.1-104.9000112.6L151 K152 S157 L158 L159L151-F155 VanDerWaalsContact O-CB 3.31Å; L151-F155 WeakPolarHBondContact O-CB 3.35Å; L151-F155 PolarHBondContact O-N 3.22Å; K152-F155 PolarHBondContact O-N 3.01Å; F155-S157 VanDerWaalsContact C-N 3.3Å; F155-S157 PolarHBondContact O-N 3.34Å; F155-L158 PolarHBondContact O-N 2.94Å; F155-L159 HydrophobicContact CD1-CD1 3.89Å; F155-L159 HydrophobicContact CD1-CG 4.4Å; F155-L159 HydrophobicContact CE1-CD1 3.34Å; F155-L159 HydrophobicContact CE1-CG 4.05Å; F155-L159 HydrophobicContact CE2-CG 4.47Å; F155-L159 HydrophobicContact CZ-CD1 3.73Å; F155-L159 HydrophobicContact CZ-CD2 4.27Å; F155-L159 HydrophobicContact CZ-CG 4.09Å; F155-L159 WeakPolarHBondContact O-CG 3.4Å; F155-L159 PolarHBondContact O-N 3.18Å
156V92.2Very high85.7Confident74 Ų74107.5 Ų107.545%0.44855%0.551SS.*Hα-helixtrans-60.1-40.4175.3169.30000111.4K152 Q153 S154 L159 R160K152-V156 WeakPolarHBondContact O-CB 3.4Å; K152-V156 VanDerWaalsContact O-CG2 3.26Å; K152-V156 WeakPolarHBondContact O-CG2 3.48Å; K152-V156 PolarHBondContact O-N 3.2Å; Q153-V156 PolarHBondContact O-N 2.7Å; S154-V156 PolarHBondContact O-N 3.17Å; V156-L159 PolarHBondContact O-N 2.95Å; V156-R160 VanDerWaalsContact O-CB 3.3Å; V156-R160 WeakPolarHBondContact O-CB 3.47Å; V156-R160 PolarHBondContact O-N 3.1Å
157S90.2Very high84.5Confident48 Ų48113.3 Ų113.334%0.33658%0.575SS.*Hα-helixtrans-67.3-36.1177.879.80000112.6Q153 S154 F155 R160 R161Q153-S157 WeakPolarHBondContact O-CB 3.3Å; Q153-S157 PolarHBondContact O-N 3.41Å; S154-S157 WeakPolarHBondContact CA-OG 3.3Å; S154-S157 PolarHBondContact O-N 3.47Å; S154-S157 PolarHBondContact O-OG 3.35Å; F155-S157 VanDerWaalsContact C-N 3.3Å; F155-S157 PolarHBondContact O-N 3.34Å; S157-R160 PolarHBondContact O-N 3.36Å; S157-R161 WeakPolarHBondContact O-CG 3.32Å; S157-R161 PolarHBondContact O-N 3.12Å
158L90.6Very high83Confident97 Ų97117.3 Ų117.351%0.50859%0.591SS.*Hα-helixtrans-69.2-43176.3-72.4171.5000111.1S154 F155 R161 R162S154-L158 VanDerWaalsContact O-CG 3.3Å; S154-L158 WeakPolarHBondContact O-CG 3.43Å; S154-L158 PolarHBondContact O-N 3.47Å; F155-L158 PolarHBondContact O-N 2.94Å; L158-R161 PolarHBondContact O-N 3.38Å; L158-R162 PolarHBondContact O-N 2.9Å; L158-R162 VanDerWaalsContact O-N 3.12Å
159L91.4Very high81.3Confident81 Ų81122.1 Ų122.142%0.42461%0.613SS.*Hα-helixtrans-61.8-45.8173.1-71.1-177.9000111.5F155 V156 R161 R162 T163F155-L159 HydrophobicContact CD1-CD1 3.89Å; F155-L159 HydrophobicContact CD1-CG 4.4Å; F155-L159 HydrophobicContact CE1-CD1 3.34Å; F155-L159 HydrophobicContact CE1-CG 4.05Å; F155-L159 HydrophobicContact CE2-CG 4.47Å; F155-L159 HydrophobicContact CZ-CD1 3.73Å; F155-L159 HydrophobicContact CZ-CD2 4.27Å; F155-L159 HydrophobicContact CZ-CG 4.09Å; F155-L159 WeakPolarHBondContact O-CG 3.4Å; F155-L159 PolarHBondContact O-N 3.18Å; V156-L159 PolarHBondContact O-N 2.95Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 3.06Å; L159-R162 PolarHBondContact O-N 3.02Å; L159-R162 VanDerWaalsContact O-N 3.1Å; L159-T163 PolarHBondContact O-N 3.49Å; L159-T163 PolarHBondContact O-OG1 3Å
160R89.9Confident79.5Confident177 Ų177128 Ų12867%0.66863%0.634SS**Hα-helixtrans-59.1-38.1177-172.4-178.3-63.3-174.8-0.7112.3V156 S157 T163 A164V156-R160 VanDerWaalsContact O-CB 3.3Å; V156-R160 WeakPolarHBondContact O-CB 3.47Å; V156-R160 PolarHBondContact O-N 3.1Å; S157-R160 PolarHBondContact O-N 3.36Å; R160-T163 PolarHBondContact O-OG1 3.14Å; R160-A164 WeakPolarHBondContact O-CB 3.33Å; R160-A164 PolarHBondContact O-N 3.23Å; R160-A164 VanDerWaalsContact O-N 3.14Å
161R85.5Confident77.5Confident197 Ų197126.7 Ų126.774%0.74364%0.642SS**Hα-helixtrans-68.1-35.5175.2-75.6177.5-177.6-165.81.6112.8S157 L158 L159S157-R161 WeakPolarHBondContact O-CG 3.32Å; S157-R161 PolarHBondContact O-N 3.12Å; L158-R161 PolarHBondContact O-N 3.38Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 3.06Å
162R78.5Confident75.8Confident208 Ų208127.9 Ų127.979%0.78566%0.655SS**Hα-helixtrans-71.7-38.5177.2-73.7-175.9178.2-172.4-0.4112.8L158 L159 A164L158-R162 PolarHBondContact O-N 2.9Å; L158-R162 VanDerWaalsContact O-N 3.12Å; L159-R162 PolarHBondContact O-N 3.02Å; L159-R162 VanDerWaalsContact O-N 3.1Å; R162-A164 VanDerWaalsContact C-N 3.34Å
163T80.9Confident73.7Confident121 Ų121125.2 Ų125.274%0.74266%0.661SS**Hα-helixtrans-75.2-25.5178.357.90000112.6L159 R160 A165L159-T163 PolarHBondContact O-N 3.49Å; L159-T163 PolarHBondContact O-OG1 3Å; R160-T163 PolarHBondContact O-OG1 3.14Å; T163-A165 PolarHBondContact O-N 3.01Å
164A74.1Confident71.8Confident75 Ų75122.4 Ų122.462%0.6266%0.661SS**  trans-77.639171.900000113.5R160 R162R160-A164 WeakPolarHBondContact O-CB 3.33Å; R160-A164 PolarHBondContact O-N 3.23Å; R160-A164 VanDerWaalsContact O-N 3.14Å; R162-A164 VanDerWaalsContact C-N 3.34Å
165A65.8Low70.1Confident72 Ų72128 Ų12860%0.59568%0.681SS**PPolyproline II helixtrans-56.3143.3172.400000110.3T163 K167T163-A165 PolarHBondContact O-N 3.01Å; A165-K167 PolarHBondContact O-N 2.99Å
166P56.4Low68.3Low121 Ų121127.5 Ų127.579%0.78669%0.689SS**PPolyproline II helixtrans-65.9130.5-166.7-6.620.7000109.6Q168P166-Q168 PolarHBondContact O-N 3.32Å
167K62Low66.5Low197 Ų197130.5 Ų130.586%0.85770%0.702SS**PPolyproline II helixtrans-50116.7156.6-82.7-175.1174.9-176.70106.2A165 N169A165-K167 PolarHBondContact O-N 2.99Å; K167-N169 PolarHBondContact O-N 2.99Å
168Q54Low64.8Low189 Ų189135.3 Ų135.388%0.88372%0.723SS**  trans-54.1113.9162.3-78.3179.4-35.600105.9P166 Q170P166-Q168 PolarHBondContact O-N 3.32Å; Q168-Q170 VanDerWaalsContact C-N 3.26Å; Q168-Q170 PolarHBondContact O-N 2.88Å
169N53.8Low63.2Low153 Ų153138 Ų13882%0.81874%0.738SS**  trans-59.5101163-87-10.2000105.7K167 P171K167-N169 PolarHBondContact O-N 2.99Å; N169-P171 WeakPolarHBondContact O-CD 3.34Å
170Q51.4Low61.5Low182 Ų182145 Ų14585%0.8577%0.771SS**  trans-60.2118.3167.6-157.9164.1-1000105.8Q168Q168-Q170 VanDerWaalsContact C-N 3.26Å; Q168-Q170 PolarHBondContact O-N 2.88Å
171P47.3Very low60.1Low103 Ų103143.5 Ų143.567%0.66978%0.776SS**  trans-60.1145179.6-18.730.4000109.1N169 A173N169-P171 WeakPolarHBondContact O-CD 3.34Å; P171-A173 VanDerWaalsContact C-N 3.29Å; P171-A173 PolarHBondContact O-N 2.78Å
172P55.3Low58.8Low131 Ų131140.6 Ų140.685%0.85178%0.778SS**  trans-67.891.3178.127.7-31.2000108.7
173A50.4Low57.7Low91 Ų91136.9 Ų136.975%0.75278%0.778SS**  trans-96.6131.6169.300000108.1P171P171-A173 VanDerWaalsContact C-N 3.29Å; P171-A173 PolarHBondContact O-N 2.78Å
174A52.6Low56.3Low77 Ų77137.8 Ų137.864%0.63678%0.78SS**SBendtrans93.233.7171.300000118.6
175Q56.3Low55.2Low168 Ų168141.8 Ų141.879%0.78579%0.79SS**SBendtrans-88.6-9.4147.1-129.110222.400112.6L177Q175-L177 VanDerWaalsContact C-N 3.26Å; Q175-L177 PolarHBondContact O-N 3.25Å
176T56.7Low54.5Low116 Ų116146.4 Ų146.471%0.71280%0.803SS**THydrogen-bonded Turntrans-81.29.3-176.8-28.90000114.7
177L53.8Low54.3Low136 Ų136148.2 Ų148.271%0.71280%0.804SS**THydrogen-bonded Turntrans-104.717.1176.6-71-179.3000114.1Q175Q175-L177 VanDerWaalsContact C-N 3.26Å; Q175-L177 PolarHBondContact O-N 3.25Å
178L54.9Low53.8Low150 Ų150144.5 Ų144.579%0.78580%0.8SS**SBendtrans-112.41.8170.7-84.9167.4000114.5
179D56Low53.7Low153 Ų153140.8 Ų140.882%0.81879%0.793SS**  trans-106.525173.9-65-26.6000112.9
180M56.7Low53.7Low229 Ų229139.6 Ų139.6100%1.12879%0.791SS**  trans-112.40163.2-73.4-173.916600109.4

Retrieved 180 of 180 residues in 57.8 ms (Link to these results)

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