A0A077ZLQ2_TRITR Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M78.9Confident89.3Confident95 Ų9581.6 Ų81.647%0.46843%0.428SS..  0132.40-159.3166.1-157.900107Q5 V6 A9 F39 L41M1-Q5 HydrophobicContact CE-CB 3.68Å; M1-Q5 HydrophobicContact CG-CB 3.47Å; M1-Q5 VanDerWaalsContact CG-CB 3.47Å; M1-Q5 HydrophobicContact CG-CG 4.46Å; M1-Q5 HydrophobicContact SD-CB 4.3Å; M1-V6 HydrophobicContact CB-CG2 3.88Å; M1-V6 HydrophobicContact CG-CG2 3.72Å; M1-V6 HydrophobicContact SD-CG2 3.79Å; M1-A9 HydrophobicContact CE-CB 4.28Å; M1-F39 VanDerWaalsContact CE-O 3.22Å; M1-F39 WeakPolarHBondContact CE-O 3.42Å; M1-L41 HydrophobicContact SD-CD2 3.96Å
2N85.2Confident89.7Confident68 Ų6888.9 Ų88.936%0.36445%0.445SS..  trans-75.2161.2175.976.82.8000109.9E4 Q5 V6N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.11Å; N2-E4 PolarHBondContact OD1-N 3.17Å; N2-Q5 PolarHBondContact O-N 3.28Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.23Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.29Å; N2-Q5 PolarHBondContact OD1-N 3.16Å; N2-Q5 PolarHBondContact OD1-OE1 3.15Å; N2-V6 WeakPolarHBondContact O-CG2 3.35Å; N2-V6 PolarHBondContact O-N 3.25Å; N2-V6 VanDerWaalsContact O-N 3.14Å
3P87.1Confident90.1Very high113 Ų11382.7 Ų82.773%0.73441%0.414SS*.Hα-helixtrans-58.3-35-177.6-27.135.9000114.1V6 A7P3-V6 PolarHBondContact O-N 3.42Å; P3-A7 WeakPolarHBondContact O-CB 3.41Å; P3-A7 PolarHBondContact O-N 3.37Å
4E90.4Very high90.3Very high153 Ų15383.3 Ų83.372%0.71543%0.43SS*.Hα-helixtrans-65.4-42.6178.3-64.2179.4164.100112.4N2 V6 A7 L8N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.11Å; N2-E4 PolarHBondContact OD1-N 3.17Å; E4-V6 VanDerWaalsContact C-N 3.35Å; E4-A7 PolarHBondContact O-N 2.9Å; E4-L8 WeakPolarHBondContact O-CB 3.39Å; E4-L8 PolarHBondContact O-N 3.38Å
5Q91Very high90.7Very high100 Ų10079 Ų7947%0.46741%0.407SS..Hα-helixtrans-63.6-41.3175.5-76.8168-17.500111.2M1 N2 L8 A9M1-Q5 HydrophobicContact CE-CB 3.68Å; M1-Q5 HydrophobicContact CG-CB 3.47Å; M1-Q5 VanDerWaalsContact CG-CB 3.47Å; M1-Q5 HydrophobicContact CG-CG 4.46Å; M1-Q5 HydrophobicContact SD-CB 4.3Å; N2-Q5 PolarHBondContact O-N 3.28Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.23Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.29Å; N2-Q5 PolarHBondContact OD1-N 3.16Å; N2-Q5 PolarHBondContact OD1-OE1 3.15Å; Q5-L8 PolarHBondContact O-N 3.33Å; Q5-A9 WeakPolarHBondContact O-CB 3.33Å; Q5-A9 PolarHBondContact O-N 3.29Å
6V90.8Very high91Very high18 Ų1881.2 Ų81.211%0.10942%0.419CS..Hα-helixtrans-63-46.9176.1174.40000110.5M1 N2 P3 E4 L8 A9 Q10 L41 A50M1-V6 HydrophobicContact CB-CG2 3.88Å; M1-V6 HydrophobicContact CG-CG2 3.72Å; M1-V6 HydrophobicContact SD-CG2 3.79Å; N2-V6 WeakPolarHBondContact O-CG2 3.35Å; N2-V6 PolarHBondContact O-N 3.25Å; N2-V6 VanDerWaalsContact O-N 3.14Å; P3-V6 PolarHBondContact O-N 3.42Å; E4-V6 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 3.43Å; V6-A9 WeakPolarHBondContact O-CB 3.21Å; V6-A9 PolarHBondContact O-N 3.4Å; V6-Q10 WeakPolarHBondContact O-CG 3.17Å; V6-Q10 PolarHBondContact O-N 3.14Å; V6-L41 HydrophobicContact CB-CD2 4.5Å; V6-L41 HydrophobicContact CG1-CD2 4.08Å; V6-L41 HydrophobicContact CG2-CD2 4.29Å; V6-A50 HydrophobicContact CG1-CB 3.45Å; V6-A50 VanDerWaalsContact CG1-CB 3.45Å
7A90.8Very high91.4Very high41 Ų4179.6 Ų79.634%0.33942%0.417SS..Hα-helixtrans-61.1-43.7177.800000112P3 E4 A9 Q10 Q11P3-A7 WeakPolarHBondContact O-CB 3.41Å; P3-A7 PolarHBondContact O-N 3.37Å; E4-A7 PolarHBondContact O-N 2.9Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.25Å; A7-Q10 PolarHBondContact O-N 3.39Å; A7-Q11 WeakPolarHBondContact O-CG 3.41Å; A7-Q11 PolarHBondContact O-N 2.82Å
8L92.3Very high91.6Very high75 Ų7575.6 Ų75.639%0.39340%0.396SS..Hα-helixtrans-63.5-39.8176.6-17465.6000112E4 Q5 V6 Q11 R12E4-L8 WeakPolarHBondContact O-CB 3.39Å; E4-L8 PolarHBondContact O-N 3.38Å; Q5-L8 PolarHBondContact O-N 3.33Å; V6-L8 PolarHBondContact O-N 3.43Å; L8-Q11 PolarHBondContact O-N 3.36Å; L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 3.29Å
9A91.9Very high91.8Very high6 Ų677.3 Ų77.35%0.0540%0.402CS..Hα-helixtrans-61.1-47.9174.600000111.2M1 Q5 V6 A7 Q11 R12 F13 F39 L41M1-A9 HydrophobicContact CE-CB 4.28Å; Q5-A9 WeakPolarHBondContact O-CB 3.33Å; Q5-A9 PolarHBondContact O-N 3.29Å; V6-A9 WeakPolarHBondContact O-CB 3.21Å; V6-A9 PolarHBondContact O-N 3.4Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.25Å; A9-Q11 VanDerWaalsContact C-N 3.35Å; A9-Q11 PolarHBondContact O-N 2.95Å; A9-R12 PolarHBondContact O-N 3.39Å; A9-F13 WeakPolarHBondContact O-CB 3.3Å; A9-F13 PolarHBondContact O-N 3.39Å; A9-F39 HydrophobicContact CB-CB 4.11Å; A9-F39 HydrophobicContact CB-CD1 4.09Å; A9-L41 HydrophobicContact CB-CD1 4.16Å; A9-L41 HydrophobicContact CB-CD2 4.28Å; A9-L41 HydrophobicContact CB-CG 4.18Å
10Q91.9Very high91.7Very high70 Ų7076.5 Ų76.533%0.32740%0.401SS..Hα-helixtrans-60.9-40.3178.2-69.9178.5-70.500112.9V6 A7 R12 F13 A50 L54V6-Q10 WeakPolarHBondContact O-CG 3.17Å; V6-Q10 PolarHBondContact O-N 3.14Å; A7-Q10 PolarHBondContact O-N 3.39Å; Q10-R12 VanDerWaalsContact C-N 3.29Å; Q10-R12 PolarHBondContact O-N 2.9Å; Q10-F13 PolarHBondContact O-N 2.74Å; Q10-A50 HydrophobicContact CG-CB 3.99Å; Q10-L54 HydrophobicContact CB-CD2 4.47Å; Q10-L54 HydrophobicContact CG-CD1 4.23Å; Q10-L54 HydrophobicContact CG-CD2 4.42Å; Q10-L54 HydrophobicContact CG-CG 4.3Å
11Q92Very high91.7Very high159 Ų15978.5 Ų78.574%0.74342%0.422SS*.Hα-helixtrans-64.2-33.9178.5-74.6176.58.100113A7 L8 A9A7-Q11 WeakPolarHBondContact O-CG 3.41Å; A7-Q11 PolarHBondContact O-N 2.82Å; L8-Q11 PolarHBondContact O-N 3.36Å; A9-Q11 VanDerWaalsContact C-N 3.35Å; A9-Q11 PolarHBondContact O-N 2.95Å
12R93.4Very high92.3Very high169 Ų16978.2 Ų78.264%0.63843%0.429SS*.Hα-helixtrans-91.3-11.5-178.1-68.6178.6176.1-178.8-1113.3L8 A9 Q10 S14 F39L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 3.29Å; A9-R12 PolarHBondContact O-N 3.39Å; Q10-R12 VanDerWaalsContact C-N 3.29Å; Q10-R12 PolarHBondContact O-N 2.9Å; R12-S14 PolarHBondContact O-N 3.45Å; R12-F39 HydrophobicContact CB-CE1 3.65Å; R12-F39 HydrophobicContact CB-CZ 4.22Å
13F95.1Very high92.6Very high8 Ų877 Ų774%0.03542%0.421CS..  trans-69.7113.3-174.5-164.6-89.1000111.6A9 Q10 F15 F32 E35 L36 F39 L54 K58A9-F13 WeakPolarHBondContact O-CB 3.3Å; A9-F13 PolarHBondContact O-N 3.39Å; Q10-F13 PolarHBondContact O-N 2.74Å; F13-F15 HydrophobicContact CD1-CB 4.28Å; F13-F15 HydrophobicContact CE1-CB 3.56Å; F13-F15 HydrophobicContact CE1-CG 4.28Å; F13-F15 HydrophobicContact CZ-CB 4.18Å; F13-F32 HydrophobicContact CE1-CD2 4.19Å; F13-F32 AromaticContact CE1-CE2 3.61Å; F13-F32 HydrophobicContact CE1-CE2 3.61Å; F13-F32 HydrophobicContact CE1-CZ 4.38Å; F13-F32 HydrophobicContact CZ-CD2 4.08Å; F13-F32 AromaticContact CZ-CE2 3.77Å; F13-F32 HydrophobicContact CZ-CE2 3.77Å; F13-F32 HydrophobicContact CZ-CZ 4.37Å; F13-E35 HydrophobicContact CD2-CG 4.34Å; F13-E35 HydrophobicContact CE2-CB 3.93Å; F13-E35 HydrophobicContact CE2-CG 3.54Å; F13-E35 HydrophobicContact CZ-CB 3.95Å; F13-E35 HydrophobicContact CZ-CG 3.77Å; F13-L36 HydrophobicContact CD2-CD2 4.36Å; F13-L36 HydrophobicContact CE2-CD2 3.72Å; F13-L36 HydrophobicContact CE2-CG 4.15Å; F13-L36 HydrophobicContact CZ-CD2 3.95Å; F13-L36 HydrophobicContact CZ-CG 4.21Å; F13-F39 AromaticContact CD2-CD2 3.57Å; F13-F39 HydrophobicContact CD2-CD2 3.57Å; F13-F39 AromaticContact CD2-CE2 3.93Å; F13-F39 HydrophobicContact CD2-CE2 3.93Å; F13-F39 HydrophobicContact CD2-CG 4.09Å; F13-F39 HydrophobicContact CE2-CD2 4.01Å; F13-F39 HydrophobicContact CE2-CE2 4.5Å; F13-L54 HydrophobicContact CB-CD1 4.17Å; F13-L54 HydrophobicContact CB-CD2 3.76Å; F13-L54 HydrophobicContact CD1-CB 4.45Å; F13-L54 HydrophobicContact CD1-CD1 4.12Å; F13-L54 HydrophobicContact CD1-CD2 3.72Å; F13-L54 HydrophobicContact CD1-CG 4.32Å; F13-L54 HydrophobicContact CD2-CD1 3.96Å; F13-L54 HydrophobicContact CE2-CD1 4.38Å; F13-L54 HydrophobicContact CG-CD1 3.81Å; F13-L54 HydrophobicContact CG-CD2 3.85Å; F13-L54 HydrophobicContact CG-CG 4.39Å; F13-K58 HydrophobicContact CD1-CG 4.2Å; F13-K58 HydrophobicContact CE1-CG 4.08Å; F13-K58 VanDerWaalsContact O-CE 3.27Å; F13-K58 WeakPolarHBondContact O-CE 3.32Å; F13-K58 PolarHBondContact O-NZ 2.84Å
14S94Very high92.7Very high91 Ų9175.3 Ų75.364%0.63640%0.404SS*.  trans-120.9130.5174.2-169.70000109.1R12R12-S14 PolarHBondContact O-N 3.45Å
15F96.2Very high92.8Very high19 Ų1968.5 Ų68.58%0.08337%0.371CS..  trans-157143.9-178.1-161.3-100000109.1F13 Y28 R31 F32 E35 K58F13-F15 HydrophobicContact CD1-CB 4.28Å; F13-F15 HydrophobicContact CE1-CB 3.56Å; F13-F15 HydrophobicContact CE1-CG 4.28Å; F13-F15 HydrophobicContact CZ-CB 4.18Å; F15-Y28 HydrophobicContact CD1-CE2 4.06Å; F15-Y28 HydrophobicContact CE1-CD2 4.1Å; F15-Y28 HydrophobicContact CE1-CE1 4.46Å; F15-Y28 AromaticContact CE1-CE2 3.56Å; F15-Y28 HydrophobicContact CE1-CE2 3.56Å; F15-Y28 AromaticContact CE1-CZ 3.76Å; F15-R31 HydrophobicContact CE2-CB 4.48Å; F15-R31 HydrophobicContact CE2-CG 3.82Å; F15-R31 VanDerWaalsContact CE2-NH1 3.34Å; F15-R31 HydrophobicContact CZ-CB 3.94Å; F15-R31 HydrophobicContact CZ-CG 3.67Å; F15-F32 HydrophobicContact CD1-CB 4.42Å; F15-F32 AromaticContact CD1-CD2 3.65Å; F15-F32 HydrophobicContact CD1-CD2 3.65Å; F15-F32 HydrophobicContact CE1-CB 3.73Å; F15-F32 AromaticContact CE1-CD2 3.84Å; F15-F32 HydrophobicContact CE1-CD2 3.84Å; F15-F32 HydrophobicContact CE1-CG 4.29Å; F15-F32 HydrophobicContact CE2-CB 4.47Å; F15-F32 HydrophobicContact CG-CD2 4.06Å; F15-F32 HydrophobicContact CZ-CB 3.75Å; F15-F32 HydrophobicContact CZ-CD2 4.38Å; F15-F32 VanDerWaalsContact CZ-N 3.28Å; F15-E35 HydrophobicContact CD2-CB 3.9Å; F15-E35 HydrophobicContact CD2-CG 3.94Å; F15-E35 HydrophobicContact CE2-CB 3.92Å; F15-E35 HydrophobicContact CE2-CG 4.41Å; F15-K58 HydrophobicContact CB-CG 4.26Å
16D95.6Very high92.8Very high114 Ų11466 Ų6661%0.6137%0.368SS*.PPolyproline II helixtrans-70.7154.9-178.6-60.9-38.6000111.8Y28D16-Y28 VanDerWaalsContact O-CE2 3.3Å; D16-Y28 WeakPolarHBondContact O-CE2 3.33Å; D16-Y28 PolarHBondContact O-OH 3.4Å
17S96.3Very high92.9Very high55 Ų5570.8 Ų70.839%0.38539%0.385SS..PPolyproline II helixtrans-72.9153.5175.6-66.60000112.2K58S17-K58 VanDerWaalsContact CA-O 3.25Å; S17-K58 WeakPolarHBondContact CA-O 3.35Å; S17-K58 PolarHBondContact OG-O 3.29Å
18F96.1Very high93.1Very high7 Ų768.9 Ų68.93%0.03137%0.368CS..PPolyproline II helixtrans-74.3131.3175.1175-128.2000109.7P20 E23 W25 Y28 V59 H63 Y92F18-P20 HydrophobicContact CD1-CG 4.37Å; F18-P20 HydrophobicContact CE1-CG 3.78Å; F18-P20 HydrophobicContact CZ-CB 4.27Å; F18-P20 HydrophobicContact CZ-CG 3.99Å; F18-E23 VanDerWaalsContact CE2-O 3.26Å; F18-E23 WeakPolarHBondContact CE2-O 3.32Å; F18-W25 HydrophobicContact CB-CZ3 4.45Å; F18-W25 AromaticContact CD1-CE3 3.63Å; F18-W25 HydrophobicContact CD1-CE3 3.63Å; F18-W25 HydrophobicContact CD1-CZ3 4.02Å; F18-W25 HydrophobicContact CD2-CE3 4.23Å; F18-W25 HydrophobicContact CE1-CB 4.25Å; F18-W25 AromaticContact CE1-CE3 3.76Å; F18-W25 HydrophobicContact CE1-CE3 3.76Å; F18-W25 HydrophobicContact CE2-CB 4.31Å; F18-W25 HydrophobicContact CE2-CE3 4.31Å; F18-W25 AromaticContact CG-CE3 3.93Å; F18-W25 HydrophobicContact CG-CE3 3.93Å; F18-W25 HydrophobicContact CG-CZ3 4.19Å; F18-W25 HydrophobicContact CZ-CB 3.78Å; F18-W25 HydrophobicContact CZ-CE3 4.12Å; F18-Y28 VanDerWaalsContact CA-CE2 3.45Å; F18-Y28 HydrophobicContact CB-CD1 3.95Å; F18-Y28 HydrophobicContact CB-CD2 3.58Å; F18-Y28 HydrophobicContact CB-CE1 3.91Å; F18-Y28 HydrophobicContact CB-CE2 3.54Å; F18-Y28 HydrophobicContact CB-CG 3.79Å; F18-Y28 HydrophobicContact CD2-CD1 4.33Å; F18-Y28 AromaticContact CD2-CD2 3.8Å; F18-Y28 HydrophobicContact CD2-CD2 3.8Å; F18-Y28 AromaticContact CD2-CG 3.63Å; F18-Y28 HydrophobicContact CD2-CG 3.63Å; F18-Y28 HydrophobicContact CG-CD1 4.28Å; F18-Y28 HydrophobicContact CG-CD2 4.12Å; F18-Y28 AromaticContact CG-CG 3.97Å; F18-Y28 HydrophobicContact CG-CG 3.97Å; F18-Y28 VanDerWaalsContact N-CE2 3.31Å; F18-V59 HydrophobicContact CB-CG2 4.48Å; F18-V59 PolarHBondContact N-O 2.73Å; F18-H63 AromaticContact CD1-CD2 3.26Å; F18-H63 WeakPolarHBondContact CD1-CD2 3.3Å; F18-H63 AromaticContact CD1-NE2 3.34Å; F18-H63 VanDerWaalsContact CD1-NE2 3.34Å; F18-H63 WeakPolarHBondContact CD1-NE2 3.25Å; F18-H63 AromaticContact CE1-NE2 3.95Å; F18-H63 AromaticContact CG-CD2 3.91Å; F18-H63 AromaticContact CG-NE2 3.99Å; F18-H63 PolarHBondContact O-CD2 3.33Å; F18-H63 PolarHBondContact O-NE2 2.91Å; F18-H63 VanDerWaalsContact O-NE2 3.08Å; F18-Y92 HydrophobicContact CE1-CD1 4.07Å; F18-Y92 AromaticContact CE1-CD2 3.8Å; F18-Y92 HydrophobicContact CE1-CD2 3.8Å; F18-Y92 HydrophobicContact CE1-CE1 4.13Å; F18-Y92 AromaticContact CE1-CE2 3.84Å; F18-Y92 HydrophobicContact CE1-CE2 3.84Å; F18-Y92 AromaticContact CE1-CG 3.91Å; F18-Y92 HydrophobicContact CE1-CG 3.91Å; F18-Y92 HydrophobicContact CZ-CD1 4.33Å; F18-Y92 HydrophobicContact CZ-CG 4.26Å
19E94.3Very high93.3Very high108 Ų10866.2 Ų66.251%0.50536%0.355SS..  trans-131.8101.6-177.9-76.5171.9-167.300109.1S21 S22 E23E19-S21 PolarHBondContact O-N 3.14Å; E19-S22 VanDerWaalsContact CB-OG 3.25Å; E19-S22 WeakPolarHBondContact CB-OG 3.26Å; E19-S22 PolarHBondContact O-N 3.1Å; E19-S22 PolarHBondContact O-OG 2.9Å; E19-E23 PolarHBondContact O-N 2.71Å; E19-E23 VanDerWaalsContact O-N 3.08Å
20P91.3Very high93.4Very high61 Ų6171.3 Ų71.340%0.39638%0.377SS..THydrogen-bonded Turntrans-61.7-17.1-173.7-25.233.1000114.9F18 H63 Y92F18-P20 HydrophobicContact CD1-CG 4.37Å; F18-P20 HydrophobicContact CE1-CG 3.78Å; F18-P20 HydrophobicContact CZ-CB 4.27Å; F18-P20 HydrophobicContact CZ-CG 3.99Å; P20-H63 WeakPolarHBondContact CD-NE2 3.23Å; P20-Y92 HydrophobicContact CB-CD1 4.1Å; P20-Y92 HydrophobicContact CB-CE1 3.8Å; P20-Y92 HydrophobicContact CG-CD1 4.02Å; P20-Y92 HydrophobicContact CG-CE1 3.33Å
21S91.2Very high93.6Very high119 Ų11971.9 Ų71.983%0.83238%0.376SS*.THydrogen-bonded Turntrans-79.2-18.7175.750.80000113.7E19E19-S21 PolarHBondContact O-N 3.14Å
22S91Very high93.9Very high88 Ų8864.3 Ų64.362%0.61534%0.341SS*.THydrogen-bonded Turntrans-115-33.6-17559.30000113.1E19E19-S22 VanDerWaalsContact CB-OG 3.25Å; E19-S22 WeakPolarHBondContact CB-OG 3.26Å; E19-S22 PolarHBondContact O-N 3.1Å; E19-S22 PolarHBondContact O-OG 2.9Å
23E91Very high94Very high44 Ų4459 Ų5921%0.20632%0.323CS..SBendtrans-134.9143.7-175.2-170.8172.2-150.600110.7F18 E19 Y28 R31F18-E23 VanDerWaalsContact CE2-O 3.26Å; F18-E23 WeakPolarHBondContact CE2-O 3.32Å; E19-E23 PolarHBondContact O-N 2.71Å; E19-E23 VanDerWaalsContact O-N 3.08Å; E23-Y28 WeakPolarHBondContact OE1-CA 3.38Å; E23-Y28 PolarHBondContact OE1-N 3.31Å; E23-Y28 WeakPolarHBondContact OE2-CD2 3.46Å; E23-R31 IonicContact OE1-NE 2.9Å; E23-R31 PolarHBondContact OE1-NE 3.37Å; E23-R31 IonicContact OE1-NH2 3.53Å; E23-R31 IonicContact OE2-CZ 3.95Å; E23-R31 IonicContact OE2-NE 3.25Å; E23-R31 IonicContact OE2-NH2 2.64Å; E23-R31 PolarHBondContact OE2-NH2 3.37Å
24E89.8Confident94.1Very high77 Ų7765.7 Ų65.736%0.3635%0.353SS..  trans-77.9144.2168.9-60.7-175.3-139.400109.7A26 Y27 Y28 K129E24-A26 PolarHBondContact O-N 2.98Å; E24-A26 VanDerWaalsContact O-N 3.08Å; E24-Y27 HydrophobicContact CB-CD2 3.82Å; E24-Y27 HydrophobicContact CB-CE2 4.24Å; E24-Y27 HydrophobicContact CG-CD2 4.31Å; E24-Y27 HydrophobicContact CG-CE2 4.36Å; E24-Y27 PolarHBondContact O-N 3.05Å; E24-Y28 PolarHBondContact O-N 3.04Å; E24-K129 IonicContact OE1-NZ 3.37Å; E24-K129 PolarHBondContact OE1-NZ 3.2Å; E24-K129 WeakPolarHBondContact OE2-CE 3.34Å; E24-K129 IonicContact OE2-NZ 3.33Å; E24-K129 PolarHBondContact OE2-NZ 2.8Å
25W93.2Very high94.2Very high10 Ų1064.4 Ų64.44%0.03834%0.337CS..Hα-helixtrans-52.2-37.5-178172.7-111.9000113.5F18 Y27 Y28 I29 L55 V59 I88 Y92F18-W25 HydrophobicContact CB-CZ3 4.45Å; F18-W25 AromaticContact CD1-CE3 3.63Å; F18-W25 HydrophobicContact CD1-CE3 3.63Å; F18-W25 HydrophobicContact CD1-CZ3 4.02Å; F18-W25 HydrophobicContact CD2-CE3 4.23Å; F18-W25 HydrophobicContact CE1-CB 4.25Å; F18-W25 AromaticContact CE1-CE3 3.76Å; F18-W25 HydrophobicContact CE1-CE3 3.76Å; F18-W25 HydrophobicContact CE2-CB 4.31Å; F18-W25 HydrophobicContact CE2-CE3 4.31Å; F18-W25 AromaticContact CG-CE3 3.93Å; F18-W25 HydrophobicContact CG-CE3 3.93Å; F18-W25 HydrophobicContact CG-CZ3 4.19Å; F18-W25 HydrophobicContact CZ-CB 3.78Å; F18-W25 HydrophobicContact CZ-CE3 4.12Å; W25-Y27 VanDerWaalsContact C-N 3.33Å; W25-Y27 PolarHBondContact O-N 2.83Å; W25-Y28 AromaticContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CG 4.39Å; W25-Y28 HydrophobicContact CH2-CD1 4.09Å; W25-Y28 HydrophobicContact CH2-CE1 4.33Å; W25-Y28 AromaticContact CZ3-CD1 3.34Å; W25-Y28 HydrophobicContact CZ3-CD1 3.34Å; W25-Y28 AromaticContact CZ3-CE1 3.76Å; W25-Y28 HydrophobicContact CZ3-CE1 3.76Å; W25-Y28 HydrophobicContact CZ3-CG 4.3Å; W25-Y28 PolarHBondContact O-N 3.34Å; W25-I29 HydrophobicContact CH2-CD1 4.08Å; W25-I29 HydrophobicContact CZ2-CB 4.15Å; W25-I29 HydrophobicContact CZ2-CD1 4.01Å; W25-I29 HydrophobicContact CZ2-CG1 4.16Å; W25-I29 WeakPolarHBondContact O-CG2 3.25Å; W25-I29 PolarHBondContact O-N 3.45Å; W25-L55 HydrophobicContact CH2-CD1 4.22Å; W25-V59 HydrophobicContact CH2-CG2 4.44Å; W25-V59 HydrophobicContact CZ3-CG2 4.16Å; W25-I88 HydrophobicContact CD2-CB 4.24Å; W25-I88 HydrophobicContact CD2-CG2 3.38Å; W25-I88 VanDerWaalsContact CE2-CG2 3.45Å; W25-I88 HydrophobicContact CE3-CG2 3.49Å; W25-I88 VanDerWaalsContact CE3-CG2 3.49Å; W25-I88 HydrophobicContact CG-CG2 4.03Å; W25-I88 HydrophobicContact CH2-CB 3.99Å; W25-I88 HydrophobicContact CH2-CD1 3.36Å; W25-I88 HydrophobicContact CH2-CG1 4.27Å; W25-I88 HydrophobicContact CH2-CG2 3.73Å; W25-I88 HydrophobicContact CZ2-CB 3.65Å; W25-I88 HydrophobicContact CZ2-CD1 3.82Å; W25-I88 HydrophobicContact CZ2-CG1 4.32Å; W25-I88 HydrophobicContact CZ2-CG2 3.64Å; W25-I88 HydrophobicContact CZ3-CB 4.42Å; W25-I88 HydrophobicContact CZ3-CD1 3.93Å; W25-I88 HydrophobicContact CZ3-CG2 3.66Å; W25-Y92 HydrophobicContact CB-CG 4.49Å
26A90.8Very high94.2Very high47 Ų4763.5 Ų63.539%0.38833%0.333SS..Hα-helixtrans-59-41.4177.800000112.8E24 I29 E30E24-A26 PolarHBondContact O-N 2.98Å; E24-A26 VanDerWaalsContact O-N 3.08Å; A26-I29 WeakPolarHBondContact O-CG2 3.43Å; A26-E30 WeakPolarHBondContact O-CG 3.38Å; A26-E30 PolarHBondContact O-N 3.38Å
27Y91.8Very high94.2Very high119 Ų11959.7 Ų59.747%0.46732%0.317SS..Hα-helixtrans-73.5-40178.1-63.2-54.9000111.9E24 W25 I29 E30 R31E24-Y27 HydrophobicContact CB-CD2 3.82Å; E24-Y27 HydrophobicContact CB-CE2 4.24Å; E24-Y27 HydrophobicContact CG-CD2 4.31Å; E24-Y27 HydrophobicContact CG-CE2 4.36Å; E24-Y27 PolarHBondContact O-N 3.05Å; W25-Y27 VanDerWaalsContact C-N 3.33Å; W25-Y27 PolarHBondContact O-N 2.83Å; Y27-I29 VanDerWaalsContact C-N 3.35Å; Y27-I29 PolarHBondContact O-N 3.36Å; Y27-E30 PolarHBondContact O-N 3.43Å; Y27-R31 WeakPolarHBondContact O-CB 3.31Å; Y27-R31 PolarHBondContact O-N 2.93Å
28Y95.9Very high94.1Very high0 Ų062.5 Ų62.50%033%0.331CS..Hα-helixtrans-57.4-49.4176.9177.8-91.2000111.3F15 D16 F18 E23 E24 W25 R31 F32 K58F15-Y28 HydrophobicContact CD1-CE2 4.06Å; F15-Y28 HydrophobicContact CE1-CD2 4.1Å; F15-Y28 HydrophobicContact CE1-CE1 4.46Å; F15-Y28 AromaticContact CE1-CE2 3.56Å; F15-Y28 HydrophobicContact CE1-CE2 3.56Å; F15-Y28 AromaticContact CE1-CZ 3.76Å; D16-Y28 VanDerWaalsContact O-CE2 3.3Å; D16-Y28 WeakPolarHBondContact O-CE2 3.33Å; D16-Y28 PolarHBondContact O-OH 3.4Å; F18-Y28 VanDerWaalsContact CA-CE2 3.45Å; F18-Y28 HydrophobicContact CB-CD1 3.95Å; F18-Y28 HydrophobicContact CB-CD2 3.58Å; F18-Y28 HydrophobicContact CB-CE1 3.91Å; F18-Y28 HydrophobicContact CB-CE2 3.54Å; F18-Y28 HydrophobicContact CB-CG 3.79Å; F18-Y28 HydrophobicContact CD2-CD1 4.33Å; F18-Y28 AromaticContact CD2-CD2 3.8Å; F18-Y28 HydrophobicContact CD2-CD2 3.8Å; F18-Y28 AromaticContact CD2-CG 3.63Å; F18-Y28 HydrophobicContact CD2-CG 3.63Å; F18-Y28 HydrophobicContact CG-CD1 4.28Å; F18-Y28 HydrophobicContact CG-CD2 4.12Å; F18-Y28 AromaticContact CG-CG 3.97Å; F18-Y28 HydrophobicContact CG-CG 3.97Å; F18-Y28 VanDerWaalsContact N-CE2 3.31Å; E23-Y28 WeakPolarHBondContact OE1-CA 3.38Å; E23-Y28 PolarHBondContact OE1-N 3.31Å; E23-Y28 WeakPolarHBondContact OE2-CD2 3.46Å; E24-Y28 PolarHBondContact O-N 3.04Å; W25-Y28 AromaticContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CG 4.39Å; W25-Y28 HydrophobicContact CH2-CD1 4.09Å; W25-Y28 HydrophobicContact CH2-CE1 4.33Å; W25-Y28 AromaticContact CZ3-CD1 3.34Å; W25-Y28 HydrophobicContact CZ3-CD1 3.34Å; W25-Y28 AromaticContact CZ3-CE1 3.76Å; W25-Y28 HydrophobicContact CZ3-CE1 3.76Å; W25-Y28 HydrophobicContact CZ3-CG 4.3Å; W25-Y28 PolarHBondContact O-N 3.34Å; Y28-R31 PolarHBondContact O-N 2.92Å; Y28-F32 HydrophobicContact CE1-CB 4.45Å; Y28-F32 VanDerWaalsContact O-CB 3.25Å; Y28-F32 WeakPolarHBondContact O-CB 3.38Å; Y28-F32 PolarHBondContact O-N 2.82Å; Y28-K58 PolarHBondContact OH-O 2.92Å
29I95.8Very high94Very high20 Ų2064.6 Ų64.610%0.10334%0.341CS..Hα-helixtrans-70.2-37.2-175.2-163.358.2000112.1W25 A26 Y27 F32 E33 L55 K85W25-I29 HydrophobicContact CH2-CD1 4.08Å; W25-I29 HydrophobicContact CZ2-CB 4.15Å; W25-I29 HydrophobicContact CZ2-CD1 4.01Å; W25-I29 HydrophobicContact CZ2-CG1 4.16Å; W25-I29 WeakPolarHBondContact O-CG2 3.25Å; W25-I29 PolarHBondContact O-N 3.45Å; A26-I29 WeakPolarHBondContact O-CG2 3.43Å; Y27-I29 VanDerWaalsContact C-N 3.35Å; Y27-I29 PolarHBondContact O-N 3.36Å; I29-F32 HydrophobicContact CD1-CD1 4.08Å; I29-F32 PolarHBondContact O-N 2.9Å; I29-E33 WeakPolarHBondContact O-CB 3.35Å; I29-E33 WeakPolarHBondContact O-CG 3.29Å; I29-E33 PolarHBondContact O-N 3.16Å; I29-L55 HydrophobicContact CD1-CD1 4.13Å; I29-K85 HydrophobicContact CD1-CD 3.72Å; I29-K85 HydrophobicContact CD1-CG 3.85Å; I29-K85 HydrophobicContact CG1-CD 3.55Å; I29-K85 HydrophobicContact CG1-CG 4.02Å
30E94.7Very high94Very high112 Ų11261 Ų6152%0.52333%0.332SS..Hα-helixtrans-61.4-49.9173.2-78.1-174.1-171.200111.1A26 Y27 F32 E33 F34A26-E30 WeakPolarHBondContact O-CG 3.38Å; A26-E30 PolarHBondContact O-N 3.38Å; Y27-E30 PolarHBondContact O-N 3.43Å; E30-F32 VanDerWaalsContact C-N 3.29Å; E30-F32 PolarHBondContact O-N 2.77Å; E30-E33 PolarHBondContact O-N 3.21Å; E30-F34 WeakPolarHBondContact O-CD2 3.23Å; E30-F34 PolarHBondContact O-N 3.17Å
31R96.6Very high94.1Very high82 Ų8258.1 Ų58.131%0.30931%0.313SS..Hα-helixtrans-60.3-40.1177.9-173.3176.954.296.1-5111.7F15 E23 Y27 Y28 F34 E35F15-R31 HydrophobicContact CE2-CB 4.48Å; F15-R31 HydrophobicContact CE2-CG 3.82Å; F15-R31 VanDerWaalsContact CE2-NH1 3.34Å; F15-R31 HydrophobicContact CZ-CB 3.94Å; F15-R31 HydrophobicContact CZ-CG 3.67Å; E23-R31 IonicContact OE1-NE 2.9Å; E23-R31 PolarHBondContact OE1-NE 3.37Å; E23-R31 IonicContact OE1-NH2 3.53Å; E23-R31 IonicContact OE2-CZ 3.95Å; E23-R31 IonicContact OE2-NE 3.25Å; E23-R31 IonicContact OE2-NH2 2.64Å; E23-R31 PolarHBondContact OE2-NH2 3.37Å; Y27-R31 WeakPolarHBondContact O-CB 3.31Å; Y27-R31 PolarHBondContact O-N 2.93Å; Y28-R31 PolarHBondContact O-N 2.92Å; R31-F34 PolarHBondContact O-N 3Å; R31-E35 PolarHBondContact O-N 3.29Å
32F97.3Very high94.2Very high0 Ų060.8 Ų60.80%031%0.305CS..Hα-helixtrans-64.2-44.4177179.3-97.8000111.8F13 F15 Y28 I29 E30 E35 L36 L54 L55 K58 Y81F13-F32 HydrophobicContact CE1-CD2 4.19Å; F13-F32 AromaticContact CE1-CE2 3.61Å; F13-F32 HydrophobicContact CE1-CE2 3.61Å; F13-F32 HydrophobicContact CE1-CZ 4.38Å; F13-F32 HydrophobicContact CZ-CD2 4.08Å; F13-F32 AromaticContact CZ-CE2 3.77Å; F13-F32 HydrophobicContact CZ-CE2 3.77Å; F13-F32 HydrophobicContact CZ-CZ 4.37Å; F15-F32 HydrophobicContact CD1-CB 4.42Å; F15-F32 AromaticContact CD1-CD2 3.65Å; F15-F32 HydrophobicContact CD1-CD2 3.65Å; F15-F32 HydrophobicContact CE1-CB 3.73Å; F15-F32 AromaticContact CE1-CD2 3.84Å; F15-F32 HydrophobicContact CE1-CD2 3.84Å; F15-F32 HydrophobicContact CE1-CG 4.29Å; F15-F32 HydrophobicContact CE2-CB 4.47Å; F15-F32 HydrophobicContact CG-CD2 4.06Å; F15-F32 HydrophobicContact CZ-CB 3.75Å; F15-F32 HydrophobicContact CZ-CD2 4.38Å; F15-F32 VanDerWaalsContact CZ-N 3.28Å; Y28-F32 HydrophobicContact CE1-CB 4.45Å; Y28-F32 VanDerWaalsContact O-CB 3.25Å; Y28-F32 WeakPolarHBondContact O-CB 3.38Å; Y28-F32 PolarHBondContact O-N 2.82Å; I29-F32 HydrophobicContact CD1-CD1 4.08Å; I29-F32 PolarHBondContact O-N 2.9Å; E30-F32 VanDerWaalsContact C-N 3.29Å; E30-F32 PolarHBondContact O-N 2.77Å; F32-E35 PolarHBondContact O-N 2.95Å; F32-L36 HydrophobicContact CD1-CD1 3.76Å; F32-L36 HydrophobicContact CD1-CG 4.28Å; F32-L36 HydrophobicContact CE1-CD1 3.33Å; F32-L36 HydrophobicContact CE1-CD2 4.38Å; F32-L36 HydrophobicContact CE1-CG 3.93Å; F32-L36 HydrophobicContact CZ-CD1 4.02Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4.2Å; F32-L36 WeakPolarHBondContact O-CG 3.39Å; F32-L36 PolarHBondContact O-N 3.46Å; F32-L54 HydrophobicContact CE2-CB 4.48Å; F32-L54 HydrophobicContact CZ-CB 3.93Å; F32-L55 HydrophobicContact CD1-CD1 4.21Å; F32-L55 HydrophobicContact CE1-CB 3.92Å; F32-L55 HydrophobicContact CE1-CD1 3.99Å; F32-L55 HydrophobicContact CZ-CB 3.93Å; F32-L55 HydrophobicContact CZ-CD1 4.28Å; F32-K58 HydrophobicContact CE2-CB 4.13Å; F32-K58 HydrophobicContact CE2-CG 4.36Å; F32-Y81 HydrophobicContact CE1-CE2 4.07Å
33E96.8Very high94.2Very high58 Ų5862.8 Ų62.827%0.27131%0.309SS..Hα-helixtrans-68.9-33.7177.8-73.3-176.5160.800112.8I29 E30 L36 A37 R51 Y81 K85I29-E33 WeakPolarHBondContact O-CB 3.35Å; I29-E33 WeakPolarHBondContact O-CG 3.29Å; I29-E33 PolarHBondContact O-N 3.16Å; E30-E33 PolarHBondContact O-N 3.21Å; E33-L36 PolarHBondContact O-N 2.92Å; E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.08Å; E33-R51 IonicContact OE1-NH2 3.68Å; E33-Y81 VanDerWaalsContact CG-OH 3.3Å; E33-Y81 WeakPolarHBondContact CG-OH 3.32Å; E33-Y81 VanDerWaalsContact OE1-CE1 3.28Å; E33-Y81 WeakPolarHBondContact OE1-CE1 3.45Å; E33-Y81 PolarHBondContact OE1-OH 3.45Å; E33-Y81 VanDerWaalsContact OE1-OH 3.14Å; E33-K85 WeakPolarHBondContact OE1-CD 3.45Å; E33-K85 IonicContact OE1-NZ 2.76Å; E33-K85 PolarHBondContact OE1-NZ 2.87Å
34F96Very high94.3Very high149 Ų14962.2 Ų62.265%0.65432%0.315SS*.Hα-helixtrans-61.5-46.4169.3-85.7-64.8000111.7E30 R31 L36 A37 V38E30-F34 WeakPolarHBondContact O-CD2 3.23Å; E30-F34 PolarHBondContact O-N 3.17Å; R31-F34 PolarHBondContact O-N 3Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 3.2Å; F34-A37 WeakPolarHBondContact O-CB 3.38Å; F34-A37 PolarHBondContact O-N 2.97Å; F34-A37 VanDerWaalsContact O-N 3.13Å; F34-V38 WeakPolarHBondContact O-CG2 3.37Å; F34-V38 PolarHBondContact O-N 3.21Å
35E96.4Very high94.3Very high63 Ų6363 Ų6329%0.29434%0.335SS..Hα-helixtrans-61.3-44.1177.3-165.467.4-158.700111.1F13 F15 R31 F32 A37 V38 F39F13-E35 HydrophobicContact CD2-CG 4.34Å; F13-E35 HydrophobicContact CE2-CB 3.93Å; F13-E35 HydrophobicContact CE2-CG 3.54Å; F13-E35 HydrophobicContact CZ-CB 3.95Å; F13-E35 HydrophobicContact CZ-CG 3.77Å; F15-E35 HydrophobicContact CD2-CB 3.9Å; F15-E35 HydrophobicContact CD2-CG 3.94Å; F15-E35 HydrophobicContact CE2-CB 3.92Å; F15-E35 HydrophobicContact CE2-CG 4.41Å; R31-E35 PolarHBondContact O-N 3.29Å; F32-E35 PolarHBondContact O-N 2.95Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 3.27Å; E35-V38 WeakPolarHBondContact O-CB 3.24Å; E35-V38 PolarHBondContact O-N 2.95Å; E35-V38 VanDerWaalsContact O-N 3.16Å; E35-F39 HydrophobicContact CG-CD2 4.29Å; E35-F39 HydrophobicContact CG-CE2 4.27Å; E35-F39 WeakPolarHBondContact O-CD2 3.49Å; E35-F39 PolarHBondContact O-N 3.01Å; E35-F39 VanDerWaalsContact O-N 3.14Å; E35-F39 WeakPolarHBondContact OE1-CE2 3.47Å
36L96.8Very high94.2Very high1 Ų166.3 Ų66.31%0.00536%0.364CS..Hα-helixtrans-55.6-43.8173.7-72.8174.5000111.7F13 F32 E33 F34 V38 F39 G40 L41 R51 L54F13-L36 HydrophobicContact CD2-CD2 4.36Å; F13-L36 HydrophobicContact CE2-CD2 3.72Å; F13-L36 HydrophobicContact CE2-CG 4.15Å; F13-L36 HydrophobicContact CZ-CD2 3.95Å; F13-L36 HydrophobicContact CZ-CG 4.21Å; F32-L36 HydrophobicContact CD1-CD1 3.76Å; F32-L36 HydrophobicContact CD1-CG 4.28Å; F32-L36 HydrophobicContact CE1-CD1 3.33Å; F32-L36 HydrophobicContact CE1-CD2 4.38Å; F32-L36 HydrophobicContact CE1-CG 3.93Å; F32-L36 HydrophobicContact CZ-CD1 4.02Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4.2Å; F32-L36 WeakPolarHBondContact O-CG 3.39Å; F32-L36 PolarHBondContact O-N 3.46Å; E33-L36 PolarHBondContact O-N 2.92Å; F34-L36 VanDerWaalsContact C-N 3.34Å; F34-L36 PolarHBondContact O-N 3.2Å; L36-V38 VanDerWaalsContact C-N 3.35Å; L36-V38 PolarHBondContact O-N 3.38Å; L36-F39 CarbonylContact O-C 3.6Å; L36-F39 PolarHBondContact O-N 3.45Å; L36-G40 PolarHBondContact O-N 2.94Å; L36-L41 HydrophobicContact CB-CB 4.13Å; L36-L41 HydrophobicContact CD2-CB 4.06Å; L36-L41 HydrophobicContact CD2-CD1 3.75Å; L36-L41 WeakPolarHBondContact O-CA 3.46Å; L36-L41 WeakPolarHBondContact O-CB 3.37Å; L36-L41 PolarHBondContact O-N 2.96Å; L36-R51 HydrophobicContact CD1-CB 4.07Å; L36-R51 HydrophobicContact CD1-CG 3.87Å; L36-R51 HydrophobicContact CD2-CG 4.32Å; L36-L54 HydrophobicContact CD2-CB 4.34Å; L36-L54 HydrophobicContact CD2-CD1 3.5Å; L36-L54 VanDerWaalsContact CD2-CD1 3.5Å
37A94.7Very high94.4Very high33 Ų3364.6 Ų64.627%0.27335%0.349SS..Hα-helixtrans-65.3-35.9179.300000112.9E33 F34 E35 F39 G40 R42E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.08Å; F34-A37 WeakPolarHBondContact O-CB 3.38Å; F34-A37 PolarHBondContact O-N 2.97Å; F34-A37 VanDerWaalsContact O-N 3.13Å; E35-A37 VanDerWaalsContact C-N 3.28Å; E35-A37 PolarHBondContact O-N 3.27Å; A37-F39 VanDerWaalsContact C-N 3.29Å; A37-F39 PolarHBondContact O-N 3.1Å; A37-G40 PolarHBondContact O-N 2.61Å; A37-R42 HydrophobicContact CB-CG 4.39Å
38V94.3Very high94.5Very high114 Ų11461 Ų6169%0.69134%0.336SS*.Hα-helixtrans-60.2-41.7172.8171.60000110.6F34 E35 L36 G40F34-V38 WeakPolarHBondContact O-CG2 3.37Å; F34-V38 PolarHBondContact O-N 3.21Å; E35-V38 WeakPolarHBondContact O-CB 3.24Å; E35-V38 PolarHBondContact O-N 2.95Å; E35-V38 VanDerWaalsContact O-N 3.16Å; L36-V38 VanDerWaalsContact C-N 3.35Å; L36-V38 PolarHBondContact O-N 3.38Å; V38-G40 PolarHBondContact O-N 2.92Å
39F94.5Very high94.5Very high52 Ų5264.1 Ų64.123%0.22836%0.357CS..THydrogen-bonded Turntrans-77.26.5174.7-81.4-82.5000114.3M1 A9 R12 F13 E35 L36 A37 L41M1-F39 VanDerWaalsContact CE-O 3.22Å; M1-F39 WeakPolarHBondContact CE-O 3.42Å; A9-F39 HydrophobicContact CB-CB 4.11Å; A9-F39 HydrophobicContact CB-CD1 4.09Å; R12-F39 HydrophobicContact CB-CE1 3.65Å; R12-F39 HydrophobicContact CB-CZ 4.22Å; F13-F39 AromaticContact CD2-CD2 3.57Å; F13-F39 HydrophobicContact CD2-CD2 3.57Å; F13-F39 AromaticContact CD2-CE2 3.93Å; F13-F39 HydrophobicContact CD2-CE2 3.93Å; F13-F39 HydrophobicContact CD2-CG 4.09Å; F13-F39 HydrophobicContact CE2-CD2 4.01Å; F13-F39 HydrophobicContact CE2-CE2 4.5Å; E35-F39 HydrophobicContact CG-CD2 4.29Å; E35-F39 HydrophobicContact CG-CE2 4.27Å; E35-F39 WeakPolarHBondContact O-CD2 3.49Å; E35-F39 PolarHBondContact O-N 3.01Å; E35-F39 VanDerWaalsContact O-N 3.14Å; E35-F39 WeakPolarHBondContact OE1-CE2 3.47Å; L36-F39 CarbonylContact O-C 3.6Å; L36-F39 PolarHBondContact O-N 3.45Å; A37-F39 VanDerWaalsContact C-N 3.29Å; A37-F39 PolarHBondContact O-N 3.1Å; F39-L41 HydrophobicContact CB-CD1 4.45Å; F39-L41 HydrophobicContact CB-CG 4.38Å; F39-L41 PolarHBondContact O-N 2.89Å
40G93.4Very high94.5Very high31 Ų3163.3 Ų63.332%0.3235%0.353SS..THydrogen-bonded Turntrans753.8-179.300000114.7L36 A37 V38 R42L36-G40 PolarHBondContact O-N 2.94Å; A37-G40 PolarHBondContact O-N 2.61Å; V38-G40 PolarHBondContact O-N 2.92Å; G40-R42 PolarHBondContact O-N 2.8Å
41L94.5Very high94.5Very high1 Ų158.6 Ų58.61%0.00533%0.33CS..  trans-81.950.7175.9-57.8175.3000110.8M1 V6 A9 L36 F39 T47 A50 R51 L54M1-L41 HydrophobicContact SD-CD2 3.96Å; V6-L41 HydrophobicContact CB-CD2 4.5Å; V6-L41 HydrophobicContact CG1-CD2 4.08Å; V6-L41 HydrophobicContact CG2-CD2 4.29Å; A9-L41 HydrophobicContact CB-CD1 4.16Å; A9-L41 HydrophobicContact CB-CD2 4.28Å; A9-L41 HydrophobicContact CB-CG 4.18Å; L36-L41 HydrophobicContact CB-CB 4.13Å; L36-L41 HydrophobicContact CD2-CB 4.06Å; L36-L41 HydrophobicContact CD2-CD1 3.75Å; L36-L41 WeakPolarHBondContact O-CA 3.46Å; L36-L41 WeakPolarHBondContact O-CB 3.37Å; L36-L41 PolarHBondContact O-N 2.96Å; F39-L41 HydrophobicContact CB-CD1 4.45Å; F39-L41 HydrophobicContact CB-CG 4.38Å; F39-L41 PolarHBondContact O-N 2.89Å; L41-T47 HydrophobicContact CD2-CG2 4.25Å; L41-A50 HydrophobicContact CD2-CB 4.11Å; L41-R51 HydrophobicContact CB-CG 4.21Å; L41-R51 WeakPolarHBondContact O-CD 3.47Å; L41-L54 HydrophobicContact CD1-CD1 3.38Å
42R92.4Very high94.5Very high176 Ų17657 Ų5766%0.66432%0.324SS*.  trans-64.4165.8176.6-64.2-178.9179.8-116.7-1.8110.8A37 G40 T47A37-R42 HydrophobicContact CB-CG 4.39Å; G40-R42 PolarHBondContact O-N 2.8Å; R42-T47 WeakPolarHBondContact O-CB 3.41Å; R42-T47 PolarHBondContact O-OG1 3.29Å
43D92.4Very high94.5Very high129 Ų12959.1 Ų59.169%0.6934%0.342SS*.SBendtrans-59.6138.8178.4-167.225.6000113R51D43-R51 IonicContact OD1-CZ 3.03Å; D43-R51 IonicContact OD1-NH1 3.65Å; D43-R51 PolarHBondContact OD1-NH1 2.85Å; D43-R51 IonicContact OD1-NH2 3.84Å
44G91.4Very high94.5Very high32 Ų3256.8 Ų56.833%0.3333%0.331SS..SBendtrans148.6155.7-175.500000114.9A46 T47 E48G44-A46 VanDerWaalsContact C-N 3.27Å; G44-A46 PolarHBondContact O-N 3.32Å; G44-T47 PolarHBondContact O-N 3.31Å; G44-T47 PolarHBondContact O-OG1 3Å; G44-E48 PolarHBondContact O-N 2.87Å
45A91.6Very high94.5Very high95 Ų9549.7 Ų49.779%0.78530%0.3SS*.THydrogen-bonded Turntrans-60.8-31.9-175.500000114T47A45-T47 VanDerWaalsContact C-N 3.31Å; A45-T47 PolarHBondContact O-N 3.48Å
46A91Very high94.5Very high79 Ų7947.8 Ų47.865%0.65329%0.292SS*.THydrogen-bonded Turntrans-72-22.6-178.900000113.8G44G44-A46 VanDerWaalsContact C-N 3.27Å; G44-A46 PolarHBondContact O-N 3.32Å
47T93.7Very high94.4Very high10 Ų1051.6 Ų51.66%0.06132%0.319CS..THydrogen-bonded Turntrans-110.2-14.5-175.751.50000112.3L41 R42 G44 A45 A50 R51L41-T47 HydrophobicContact CD2-CG2 4.25Å; R42-T47 WeakPolarHBondContact O-CB 3.41Å; R42-T47 PolarHBondContact O-OG1 3.29Å; G44-T47 PolarHBondContact O-N 3.31Å; G44-T47 PolarHBondContact O-OG1 3Å; A45-T47 VanDerWaalsContact C-N 3.31Å; A45-T47 PolarHBondContact O-N 3.48Å; T47-A50 WeakPolarHBondContact O-CB 3.48Å; T47-A50 PolarHBondContact O-N 2.9Å; T47-R51 WeakPolarHBondContact O-CG 3.36Å; T47-R51 PolarHBondContact O-N 3.5Å
48E94.9Very high94.5Very high43 Ų4352.2 Ų52.220%0.20132%0.315CS..Hα-helixtrans-50.3-47.6-178.8-165.7-74153.600113.1G44 A50 R51 R52 Y81G44-E48 PolarHBondContact O-N 2.87Å; E48-A50 VanDerWaalsContact C-N 3.25Å; E48-A50 PolarHBondContact O-N 3.49Å; E48-R51 PolarHBondContact O-N 3.44Å; E48-R52 WeakPolarHBondContact O-CB 3.46Å; E48-R52 PolarHBondContact O-N 3.28Å; E48-R52 IonicContact OE2-CZ 2.76Å; E48-Y81 VanDerWaalsContact OE1-CB 3.25Å; E48-Y81 WeakPolarHBondContact OE1-CB 3.47Å; E48-Y81 PolarHBondContact OE1-N 3.13Å
49P94.7Very high94.6Very high66 Ų6646.8 Ų46.843%0.42928%0.282SS..Hα-helixtrans-61.3-36.1180-24.535.2000112.7A53P49-A53 WeakPolarHBondContact O-CB 3.5Å; P49-A53 PolarHBondContact O-N 3.4Å
50A95.4Very high94.6Very high3 Ų345 Ų453%0.02528%0.278CS..Hα-helixtrans-72.4-43.417800000111.9V6 Q10 L41 T47 E48 R52 A53 L54V6-A50 HydrophobicContact CG1-CB 3.45Å; V6-A50 VanDerWaalsContact CG1-CB 3.45Å; Q10-A50 HydrophobicContact CG-CB 3.99Å; L41-A50 HydrophobicContact CD2-CB 4.11Å; T47-A50 WeakPolarHBondContact O-CB 3.48Å; T47-A50 PolarHBondContact O-N 2.9Å; E48-A50 VanDerWaalsContact C-N 3.25Å; E48-A50 PolarHBondContact O-N 3.49Å; A50-R52 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.33Å; A50-A53 PolarHBondContact O-N 2.91Å; A50-L54 WeakPolarHBondContact O-CB 3.4Å; A50-L54 VanDerWaalsContact O-CG 3.24Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 3.45Å
51R96.4Very high94.7Very high13 Ų1352.8 Ų52.85%0.04930%0.304CS..Hα-helixtrans-60.3-44176.1-65.6172.768.3-154.89.6111.1E33 L36 L41 D43 T47 E48 L54 L55 Y81E33-R51 IonicContact OE1-NH2 3.68Å; L36-R51 HydrophobicContact CD1-CB 4.07Å; L36-R51 HydrophobicContact CD1-CG 3.87Å; L36-R51 HydrophobicContact CD2-CG 4.32Å; L41-R51 HydrophobicContact CB-CG 4.21Å; L41-R51 WeakPolarHBondContact O-CD 3.47Å; D43-R51 IonicContact OD1-CZ 3.03Å; D43-R51 IonicContact OD1-NH1 3.65Å; D43-R51 PolarHBondContact OD1-NH1 2.85Å; D43-R51 IonicContact OD1-NH2 3.84Å; T47-R51 WeakPolarHBondContact O-CG 3.36Å; T47-R51 PolarHBondContact O-N 3.5Å; E48-R51 PolarHBondContact O-N 3.44Å; R51-L54 PolarHBondContact O-N 3.03Å; R51-L55 WeakPolarHBondContact O-CB 3.04Å; R51-L55 PolarHBondContact O-N 2.88Å; R51-Y81 HydrophobicContact CB-CD2 3.94Å; R51-Y81 HydrophobicContact CB-CE2 3.99Å; R51-Y81 HydrophobicContact CB-CG 4.44Å
52R96.2Very high94.7Very high49 Ų4959 Ų5919%0.18533%0.333CS..Hα-helixtrans-59.2-52.9173.1175172.166.5-1690.2112.7E48 A50 L54 L55 L56 Q77 V79 L84E48-R52 WeakPolarHBondContact O-CB 3.46Å; E48-R52 PolarHBondContact O-N 3.28Å; E48-R52 IonicContact OE2-CZ 2.76Å; A50-R52 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.33Å; R52-L54 VanDerWaalsContact C-N 3.27Å; R52-L54 PolarHBondContact O-N 3.5Å; R52-L55 PolarHBondContact O-N 3.25Å; R52-L56 HydrophobicContact CG-CD1 4.08Å; R52-L56 WeakPolarHBondContact O-CG 3.3Å; R52-L56 PolarHBondContact O-N 2.84Å; R52-Q77 PolarHBondContact NE-O 2.96Å; R52-Q77 PolarHBondContact NH1-O 3.42Å; R52-Q77 VanDerWaalsContact NH1-O 3.09Å; R52-Q77 PolarHBondContact NH2-O 3.21Å; R52-V79 WeakPolarHBondContact CD-O 3.33Å; R52-V79 PolarHBondContact NH1-O 3.32Å; R52-L84 HydrophobicContact CG-CD1 3.8Å
53A95.8Very high94.8Very high45 Ų4550.8 Ų50.837%0.37230%0.302SS..Hα-helixtrans-59.7-41.3-179.500000111.5P49 A50 S57P49-A53 WeakPolarHBondContact O-CB 3.5Å; P49-A53 PolarHBondContact O-N 3.4Å; A50-A53 PolarHBondContact O-N 2.91Å; A53-S57 VanDerWaalsContact O-CB 3.26Å; A53-S57 WeakPolarHBondContact O-CB 3.27Å; A53-S57 PolarHBondContact O-N 2.96Å
54L96.8Very high95Very high9 Ų948.7 Ų48.75%0.04729%0.287CS..Hα-helixtrans-66.2-42176.9-71.3173.7000112Q10 F13 F32 L36 L41 A50 R51 R52 S57 K58Q10-L54 HydrophobicContact CB-CD2 4.47Å; Q10-L54 HydrophobicContact CG-CD1 4.23Å; Q10-L54 HydrophobicContact CG-CD2 4.42Å; Q10-L54 HydrophobicContact CG-CG 4.3Å; F13-L54 HydrophobicContact CB-CD1 4.17Å; F13-L54 HydrophobicContact CB-CD2 3.76Å; F13-L54 HydrophobicContact CD1-CB 4.45Å; F13-L54 HydrophobicContact CD1-CD1 4.12Å; F13-L54 HydrophobicContact CD1-CD2 3.72Å; F13-L54 HydrophobicContact CD1-CG 4.32Å; F13-L54 HydrophobicContact CD2-CD1 3.96Å; F13-L54 HydrophobicContact CE2-CD1 4.38Å; F13-L54 HydrophobicContact CG-CD1 3.81Å; F13-L54 HydrophobicContact CG-CD2 3.85Å; F13-L54 HydrophobicContact CG-CG 4.39Å; F32-L54 HydrophobicContact CE2-CB 4.48Å; F32-L54 HydrophobicContact CZ-CB 3.93Å; L36-L54 HydrophobicContact CD2-CB 4.34Å; L36-L54 HydrophobicContact CD2-CD1 3.5Å; L36-L54 VanDerWaalsContact CD2-CD1 3.5Å; L41-L54 HydrophobicContact CD1-CD1 3.38Å; A50-L54 WeakPolarHBondContact O-CB 3.4Å; A50-L54 VanDerWaalsContact O-CG 3.24Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 3.45Å; R51-L54 PolarHBondContact O-N 3.03Å; R52-L54 VanDerWaalsContact C-N 3.27Å; R52-L54 PolarHBondContact O-N 3.5Å; L54-S57 PolarHBondContact O-N 3.2Å; L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 VanDerWaalsContact O-CG 3.26Å; L54-K58 WeakPolarHBondContact O-CG 3.23Å; L54-K58 PolarHBondContact O-N 2.74Å
55L96.9Very high95.2Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-61.9-48.8177.3-179.162000110.9W25 I29 F32 R51 R52 S57 K58 V59 Y81 L84 K85W25-L55 HydrophobicContact CH2-CD1 4.22Å; I29-L55 HydrophobicContact CD1-CD1 4.13Å; F32-L55 HydrophobicContact CD1-CD1 4.21Å; F32-L55 HydrophobicContact CE1-CB 3.92Å; F32-L55 HydrophobicContact CE1-CD1 3.99Å; F32-L55 HydrophobicContact CZ-CB 3.93Å; F32-L55 HydrophobicContact CZ-CD1 4.28Å; R51-L55 WeakPolarHBondContact O-CB 3.04Å; R51-L55 PolarHBondContact O-N 2.88Å; R52-L55 PolarHBondContact O-N 3.25Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3.41Å; L55-K58 PolarHBondContact O-N 3.27Å; L55-V59 VanDerWaalsContact O-CB 3.24Å; L55-V59 WeakPolarHBondContact O-CB 3.43Å; L55-V59 WeakPolarHBondContact O-CG1 3.28Å; L55-V59 PolarHBondContact O-N 2.97Å; L55-Y81 HydrophobicContact CB-CD2 4.29Å; L55-Y81 HydrophobicContact CB-CE2 3.85Å; L55-Y81 HydrophobicContact CD2-CD2 3.99Å; L55-Y81 HydrophobicContact CD2-CE2 3.68Å; L55-Y81 HydrophobicContact CG-CE2 4.32Å; L55-L84 HydrophobicContact CD2-CB 4.08Å; L55-L84 HydrophobicContact CD2-CD1 4.48Å; L55-K85 HydrophobicContact CD2-CG 4.19Å
56L96.7Very high95.3Very high22 Ų2253.1 Ų53.112%0.11528%0.276CS..Hα-helixtrans-61-36177.4-69.5175000112.4R52 F64 L67 I76 L84R52-L56 HydrophobicContact CG-CD1 4.08Å; R52-L56 WeakPolarHBondContact O-CG 3.3Å; R52-L56 PolarHBondContact O-N 2.84Å; L56-F64 HydrophobicContact CB-CD2 4.27Å; L56-F64 HydrophobicContact CB-CE2 4.16Å; L56-F64 HydrophobicContact CD2-CD2 4.21Å; L56-F64 HydrophobicContact CD2-CE2 4.25Å; L56-F64 WeakPolarHBondContact O-CD2 3.27Å; L56-L67 HydrophobicContact CD2-CD1 3.82Å; L56-I76 HydrophobicContact CD1-CG1 4.19Å; L56-I76 HydrophobicContact CD1-CG2 4.39Å; L56-I76 HydrophobicContact CD2-CD1 4.45Å; L56-I76 HydrophobicContact CD2-CG1 3.64Å; L56-L84 HydrophobicContact CD1-CD1 4.21Å; L56-L84 HydrophobicContact CD2-CD1 3.82Å; L56-L84 HydrophobicContact CD2-CD2 4.18Å; L56-L84 HydrophobicContact CG-CD1 3.87Å
57S95.4Very high95.6Very high82 Ų8249.3 Ų49.357%0.57325%0.245SC*.Hα-helixtrans-72.1-37177.4174.90000113A53 L54 L55A53-S57 VanDerWaalsContact O-CB 3.26Å; A53-S57 WeakPolarHBondContact O-CB 3.27Å; A53-S57 PolarHBondContact O-N 2.96Å; L54-S57 PolarHBondContact O-N 3.2Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3.41Å
58K96.2Very high95.7Very high46 Ų4650.8 Ų50.820%0.225%0.254CS..Hα-helixtrans-100.5-20.5-169.7-59.7-57.1-173.1179.90114.3F13 F15 S17 Y28 F32 L54 L55 G60F13-K58 HydrophobicContact CD1-CG 4.2Å; F13-K58 HydrophobicContact CE1-CG 4.08Å; F13-K58 VanDerWaalsContact O-CE 3.27Å; F13-K58 WeakPolarHBondContact O-CE 3.32Å; F13-K58 PolarHBondContact O-NZ 2.84Å; F15-K58 HydrophobicContact CB-CG 4.26Å; S17-K58 VanDerWaalsContact CA-O 3.25Å; S17-K58 WeakPolarHBondContact CA-O 3.35Å; S17-K58 PolarHBondContact OG-O 3.29Å; Y28-K58 PolarHBondContact OH-O 2.92Å; F32-K58 HydrophobicContact CE2-CB 4.13Å; F32-K58 HydrophobicContact CE2-CG 4.36Å; L54-K58 WeakPolarHBondContact O-CB 3.38Å; L54-K58 VanDerWaalsContact O-CG 3.26Å; L54-K58 WeakPolarHBondContact O-CG 3.23Å; L54-K58 PolarHBondContact O-N 2.74Å; L55-K58 PolarHBondContact O-N 3.27Å; K58-G60 PolarHBondContact O-N 3.17Å
59V95.4Very high95.7Very high0 Ų052.3 Ų52.30%026%0.263CS..SBendtrans-58.9-25-176.972.80000113.4F18 W25 L55 H63 F64 I88F18-V59 HydrophobicContact CB-CG2 4.48Å; F18-V59 PolarHBondContact N-O 2.73Å; W25-V59 HydrophobicContact CH2-CG2 4.44Å; W25-V59 HydrophobicContact CZ3-CG2 4.16Å; L55-V59 VanDerWaalsContact O-CB 3.24Å; L55-V59 WeakPolarHBondContact O-CB 3.43Å; L55-V59 WeakPolarHBondContact O-CG1 3.28Å; L55-V59 PolarHBondContact O-N 2.97Å; V59-H63 HydrophobicContact CB-CB 4.46Å; V59-H63 HydrophobicContact CG1-CB 4.18Å; V59-H63 HydrophobicContact CG2-CB 3.61Å; V59-H63 PolarHBondContact O-CD2 3.21Å; V59-H63 VanDerWaalsContact O-CD2 3.3Å; V59-F64 HydrophobicContact CG1-CB 4.2Å; V59-I88 HydrophobicContact CG2-CD1 3.63Å
60G95.4Very high95.8Very high14 Ų1454.1 Ų54.114%0.14427%0.265CS..  trans99.2156.217800000113.6K58 Q62 H63 F64K58-G60 PolarHBondContact O-N 3.17Å; G60-Q62 PolarHBondContact O-N 2.68Å; G60-H63 PolarHBondContact O-N 2.87Å; G60-F64 WeakPolarHBondContact O-CB 3.37Å; G60-F64 PolarHBondContact O-N 3.4Å
61K95.7Very high95.8Very high195 Ų19555.3 Ų55.385%0.84827%0.27SS*.Hα-helixtrans-55-42.3-167.660.6-177.8177.5-1780115R65K61-R65 PolarHBondContact O-N 3.18Å; K61-R65 VanDerWaalsContact O-N 3.11Å
62Q94.4Very high95.7Very high131 Ų13160.9 Ų60.961%0.61230%0.295SS*.Hα-helixtrans-68.2-39.7-176.6178.5-179.2-13.800111G60 R65 L66G60-Q62 PolarHBondContact O-N 2.68Å; Q62-R65 PolarHBondContact O-N 3.33Å; Q62-L66 PolarHBondContact O-N 3.25Å; Q62-L66 VanDerWaalsContact O-N 3.07Å
63H94.6Very high95.7Very high4 Ų465.3 Ų65.32%0.01933%0.33CS..Hα-helixtrans-84.7-32.6-173.3-51.4-21.6000111.2F18 P20 V59 G60 R65 L66 L67 Y92F18-H63 AromaticContact CD1-CD2 3.26Å; F18-H63 WeakPolarHBondContact CD1-CD2 3.3Å; F18-H63 AromaticContact CD1-NE2 3.34Å; F18-H63 VanDerWaalsContact CD1-NE2 3.34Å; F18-H63 WeakPolarHBondContact CD1-NE2 3.25Å; F18-H63 AromaticContact CE1-NE2 3.95Å; F18-H63 AromaticContact CG-CD2 3.91Å; F18-H63 AromaticContact CG-NE2 3.99Å; F18-H63 PolarHBondContact O-CD2 3.33Å; F18-H63 PolarHBondContact O-NE2 2.91Å; F18-H63 VanDerWaalsContact O-NE2 3.08Å; P20-H63 WeakPolarHBondContact CD-NE2 3.23Å; V59-H63 HydrophobicContact CB-CB 4.46Å; V59-H63 HydrophobicContact CG1-CB 4.18Å; V59-H63 HydrophobicContact CG2-CB 3.61Å; V59-H63 PolarHBondContact O-CD2 3.21Å; V59-H63 VanDerWaalsContact O-CD2 3.3Å; G60-H63 PolarHBondContact O-N 2.87Å; H63-R65 VanDerWaalsContact C-N 3.34Å; H63-L66 PolarHBondContact O-N 3.38Å; H63-L67 WeakPolarHBondContact O-CB 3.35Å; H63-L67 WeakPolarHBondContact O-CG 3.49Å; H63-L67 PolarHBondContact O-N 3.09Å; H63-Y92 AromaticContact CE1-CZ 3.8Å; H63-Y92 PolarHBondContact CE1-OH 3.28Å; H63-Y92 AromaticContact ND1-CZ 3.89Å; H63-Y92 PolarHBondContact ND1-OH 3.12Å
64F96.3Very high95.6Very high85 Ų8568 Ų6837%0.37333%0.33SS..Hα-helixtrans-58.1-46.6165.6-177-93.7000111.3L56 V59 G60 L66 L67 V68 I76L56-F64 HydrophobicContact CB-CD2 4.27Å; L56-F64 HydrophobicContact CB-CE2 4.16Å; L56-F64 HydrophobicContact CD2-CD2 4.21Å; L56-F64 HydrophobicContact CD2-CE2 4.25Å; L56-F64 WeakPolarHBondContact O-CD2 3.27Å; V59-F64 HydrophobicContact CG1-CB 4.2Å; G60-F64 WeakPolarHBondContact O-CB 3.37Å; G60-F64 PolarHBondContact O-N 3.4Å; F64-L66 PolarHBondContact O-N 3.25Å; F64-L67 PolarHBondContact O-N 2.73Å; F64-V68 HydrophobicContact CD1-CG2 4.08Å; F64-V68 HydrophobicContact CE1-CG2 3.65Å; F64-V68 HydrophobicContact CE2-CG2 4.43Å; F64-V68 HydrophobicContact CZ-CG2 3.85Å; F64-V68 WeakPolarHBondContact O-CG2 3.13Å; F64-V68 PolarHBondContact O-N 3.23Å; F64-I76 HydrophobicContact CE2-CG2 4.45Å; F64-I76 HydrophobicContact CZ-CG2 4.4Å
65R95.9Very high95.5Very high178 Ų17869.5 Ų69.567%0.67234%0.344SS*.Hα-helixtrans-59.3-46.8175.1-179.9177.6178.71681.4111.9K61 Q62 H63 L67 V68 D69K61-R65 PolarHBondContact O-N 3.18Å; K61-R65 VanDerWaalsContact O-N 3.11Å; Q62-R65 PolarHBondContact O-N 3.33Å; H63-R65 VanDerWaalsContact C-N 3.34Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 2.98Å; R65-V68 PolarHBondContact O-N 2.83Å; R65-D69 IonicContact NE-OD2 3.82Å; R65-D69 WeakPolarHBondContact O-CB 3.29Å; R65-D69 PolarHBondContact O-N 2.94Å
66L94.3Very high95.4Very high41 Ų4170.5 Ų70.522%0.21535%0.349CS..Hα-helixtrans-55.6-46.1176.9-178.5159.6000111.3Q62 H63 F64 D69 H70 N91Q62-L66 PolarHBondContact O-N 3.25Å; Q62-L66 VanDerWaalsContact O-N 3.07Å; H63-L66 PolarHBondContact O-N 3.38Å; F64-L66 PolarHBondContact O-N 3.25Å; L66-D69 PolarHBondContact O-N 3.46Å; L66-H70 VanDerWaalsContact O-CB 3.28Å; L66-H70 WeakPolarHBondContact O-CB 3.24Å; L66-H70 PolarHBondContact O-N 2.87Å; L66-N91 HydrophobicContact CD1-CB 4.11Å
67L96.3Very high95.1Very high0 Ų075.6 Ų75.60%037%0.372CS..Hα-helixtrans-63.3-47.9178.3-80.8175.5000112.5L56 H63 F64 R65 D69 H70 F71 I76 L84 A87 I88L56-L67 HydrophobicContact CD2-CD1 3.82Å; H63-L67 WeakPolarHBondContact O-CB 3.35Å; H63-L67 WeakPolarHBondContact O-CG 3.49Å; H63-L67 PolarHBondContact O-N 3.09Å; F64-L67 PolarHBondContact O-N 2.73Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 2.98Å; L67-D69 VanDerWaalsContact C-N 3.3Å; L67-D69 PolarHBondContact O-N 3.3Å; L67-H70 PolarHBondContact O-N 2.68Å; L67-F71 HydrophobicContact CD2-CD2 4.36Å; L67-F71 HydrophobicContact CD2-CE2 3.88Å; L67-F71 WeakPolarHBondContact O-CD2 3.45Å; L67-F71 PolarHBondContact O-N 2.97Å; L67-F71 VanDerWaalsContact O-N 3.09Å; L67-I76 HydrophobicContact CB-CD1 3.92Å; L67-I76 HydrophobicContact CB-CG1 4.42Å; L67-L84 HydrophobicContact CD1-CD2 4.18Å; L67-L84 HydrophobicContact CD2-CD2 3.97Å; L67-A87 HydrophobicContact CD2-CB 3.9Å; L67-I88 HydrophobicContact CD1-CD1 3.77Å; L67-I88 HydrophobicContact CD1-CG1 4.1Å; L67-I88 HydrophobicContact CD2-CD1 4.33Å; L67-I88 HydrophobicContact CD2-CG1 3.77Å; L67-I88 HydrophobicContact CG-CD1 4.18Å; L67-I88 HydrophobicContact CG-CG1 3.95Å
68V96.3Very high95.1Very high41 Ų4176.1 Ų76.125%0.24837%0.369CS..Hα-helixtrans-59-43.6177.4170.40000110.9F64 R65 K72 I76F64-V68 HydrophobicContact CD1-CG2 4.08Å; F64-V68 HydrophobicContact CE1-CG2 3.65Å; F64-V68 HydrophobicContact CE2-CG2 4.43Å; F64-V68 HydrophobicContact CZ-CG2 3.85Å; F64-V68 WeakPolarHBondContact O-CG2 3.13Å; F64-V68 PolarHBondContact O-N 3.23Å; R65-V68 PolarHBondContact O-N 2.83Å; V68-K72 WeakPolarHBondContact O-CG 3.47Å; V68-K72 PolarHBondContact O-N 3.25Å; V68-I76 HydrophobicContact CG2-CB 4.16Å; V68-I76 HydrophobicContact CG2-CG1 4.4Å; V68-I76 HydrophobicContact CG2-CG2 4Å
69D95.7Very high95.1Very high74 Ų7474 Ų7440%0.39636%0.359SS..Hα-helixtrans-68.9-36.3178.6-71.4-26.1000112R65 L66 L67 K72R65-D69 IonicContact NE-OD2 3.82Å; R65-D69 WeakPolarHBondContact O-CB 3.29Å; R65-D69 PolarHBondContact O-N 2.94Å; L66-D69 PolarHBondContact O-N 3.46Å; L67-D69 VanDerWaalsContact C-N 3.3Å; L67-D69 PolarHBondContact O-N 3.3Å; D69-K72 IonicContact OD1-NZ 2.62Å; D69-K72 PolarHBondContact OD1-NZ 3.25Å
70H95.2Very high95.1Very high104 Ų10475.7 Ų75.748%0.48137%0.374SS..Hα-helixtrans-65.7-39.4178.6-176.180.2000113.5L66 L67L66-H70 VanDerWaalsContact O-CB 3.28Å; L66-H70 WeakPolarHBondContact O-CB 3.24Å; L66-H70 PolarHBondContact O-N 2.87Å; L67-H70 PolarHBondContact O-N 2.68Å
71F96.2Very high95.2Very high28 Ų2875.1 Ų75.112%0.12337%0.367CS..Hα-helixtrans-94.2-2.8-173.8-74.8-73.9000114.6L67 R74 I76 V79 E83 L84 A87L67-F71 HydrophobicContact CD2-CD2 4.36Å; L67-F71 HydrophobicContact CD2-CE2 3.88Å; L67-F71 WeakPolarHBondContact O-CD2 3.45Å; L67-F71 PolarHBondContact O-N 2.97Å; L67-F71 VanDerWaalsContact O-N 3.09Å; F71-R74 WeakPolarHBondContact O-CA 3.34Å; F71-R74 VanDerWaalsContact O-CB 3.25Å; F71-R74 WeakPolarHBondContact O-CB 2.95Å; F71-R74 PolarHBondContact O-N 3.35Å; F71-I76 HydrophobicContact CB-CD1 4.16Å; F71-I76 HydrophobicContact CD2-CD1 3.47Å; F71-I76 VanDerWaalsContact CD2-CD1 3.47Å; F71-I76 HydrophobicContact CE2-CD1 4.24Å; F71-I76 HydrophobicContact CG-CD1 4.11Å; F71-V79 HydrophobicContact CB-CG2 3.97Å; F71-V79 HydrophobicContact CD1-CG1 4Å; F71-V79 HydrophobicContact CD1-CG2 3.69Å; F71-V79 HydrophobicContact CD2-CG1 4.22Å; F71-V79 HydrophobicContact CD2-CG2 4.11Å; F71-V79 HydrophobicContact CE1-CG1 3.61Å; F71-V79 HydrophobicContact CE1-CG2 4.19Å; F71-V79 HydrophobicContact CE2-CG1 3.85Å; F71-V79 HydrophobicContact CG-CG1 4.3Å; F71-V79 HydrophobicContact CG-CG2 3.66Å; F71-V79 HydrophobicContact CZ-CG1 3.53Å; F71-E83 HydrophobicContact CE1-CB 4.45Å; F71-E83 HydrophobicContact CZ-CB 4.2Å; F71-L84 HydrophobicContact CD2-CD2 4.31Å; F71-L84 HydrophobicContact CE2-CD2 3.9Å; F71-A87 HydrophobicContact CE2-CB 3.65Å; F71-A87 HydrophobicContact CZ-CB 3.76Å
72K94.3Very high95.2Very high131 Ų13170.3 Ų70.357%0.5735%0.351SS*.THydrogen-bonded Turntrans-54.2135.6174.2-87.4167.4-175165.80110.9V68 D69V68-K72 WeakPolarHBondContact O-CG 3.47Å; V68-K72 PolarHBondContact O-N 3.25Å; D69-K72 IonicContact OD1-NZ 2.62Å; D69-K72 PolarHBondContact OD1-NZ 3.25Å
73P95.3Very high95.3Very high142 Ų14267.6 Ų67.692%0.92234%0.338SS*.THydrogen-bonded Turncis-89.21.28.835.5-36.7000115.7
74R95.1Very high95.4Very high101 Ų10167.4 Ų67.438%0.38134%0.337SS..SBendtrans-66.7137.8178.4-176.7178.1172.8-168.42.6110F71 I76 D78 V79 E83F71-R74 WeakPolarHBondContact O-CA 3.34Å; F71-R74 VanDerWaalsContact O-CB 3.25Å; F71-R74 WeakPolarHBondContact O-CB 2.95Å; F71-R74 PolarHBondContact O-N 3.35Å; R74-I76 PolarHBondContact O-N 3.3Å; R74-D78 PolarHBondContact NE-O 2.93Å; R74-D78 PolarHBondContact NH2-O 3.21Å; R74-V79 HydrophobicContact CG-CG2 4.2Å; R74-V79 VanDerWaalsContact NH2-CA 3.34Å; R74-E83 IonicContact CZ-OE1 3.56Å; R74-E83 IonicContact CZ-OE2 3.68Å; R74-E83 IonicContact NH1-OE1 3.29Å; R74-E83 PolarHBondContact NH1-OE1 3.4Å; R74-E83 IonicContact NH1-OE2 2.77Å; R74-E83 PolarHBondContact NH1-OE2 2.78Å; R74-E83 IonicContact NH2-OE1 2.7Å; R74-E83 PolarHBondContact NH2-OE1 2.92Å; R74-E83 IonicContact NH2-OE2 3.74Å
75A94.2Very high95.4Very high40 Ų4065.3 Ų65.333%0.33133%0.328SS..  trans-68.7133.6174.800000109.9Q77 D78A75-Q77 HydrophobicContact CB-CG 4.06Å; A75-Q77 PolarHBondContact O-N 3.4Å; A75-Q77 VanDerWaalsContact O-N 3.12Å; A75-D78 PolarHBondContact O-N 3.45Å
76I94.4Very high95.3Very high22 Ų2259.6 Ų59.611%0.11332%0.319CS..G310 helixtrans-61.8-27.1-173.6-165.761.1000113.2L56 F64 L67 V68 F71 R74 D78 V79 L84L56-I76 HydrophobicContact CD1-CG1 4.19Å; L56-I76 HydrophobicContact CD1-CG2 4.39Å; L56-I76 HydrophobicContact CD2-CD1 4.45Å; L56-I76 HydrophobicContact CD2-CG1 3.64Å; F64-I76 HydrophobicContact CE2-CG2 4.45Å; F64-I76 HydrophobicContact CZ-CG2 4.4Å; L67-I76 HydrophobicContact CB-CD1 3.92Å; L67-I76 HydrophobicContact CB-CG1 4.42Å; V68-I76 HydrophobicContact CG2-CB 4.16Å; V68-I76 HydrophobicContact CG2-CG1 4.4Å; V68-I76 HydrophobicContact CG2-CG2 4Å; F71-I76 HydrophobicContact CB-CD1 4.16Å; F71-I76 HydrophobicContact CD2-CD1 3.47Å; F71-I76 VanDerWaalsContact CD2-CD1 3.47Å; F71-I76 HydrophobicContact CE2-CD1 4.24Å; F71-I76 HydrophobicContact CG-CD1 4.11Å; R74-I76 PolarHBondContact O-N 3.3Å; I76-D78 PolarHBondContact O-N 3.4Å; I76-V79 HydrophobicContact CD1-CB 4.41Å; I76-V79 HydrophobicContact CD1-CG2 4.12Å; I76-V79 WeakPolarHBondContact O-CB 3.49Å; I76-V79 PolarHBondContact O-N 2.89Å; I76-L84 HydrophobicContact CD1-CD2 3.4Å; I76-L84 VanDerWaalsContact CD1-CD2 3.4Å; I76-L84 HydrophobicContact CG1-CD2 4.1Å
77Q91.6Very high95.3Very high128 Ų12857.9 Ų57.960%0.59831%0.31SS*.G310 helixtrans-68.6-16.517669.4-157.224.100113.8R52 A75R52-Q77 PolarHBondContact NE-O 2.96Å; R52-Q77 PolarHBondContact NH1-O 3.42Å; R52-Q77 VanDerWaalsContact NH1-O 3.09Å; R52-Q77 PolarHBondContact NH2-O 3.21Å; A75-Q77 HydrophobicContact CB-CG 4.06Å; A75-Q77 PolarHBondContact O-N 3.4Å; A75-Q77 VanDerWaalsContact O-N 3.12Å
78D94.3Very high95.2Very high94 Ų9457.9 Ų57.950%0.50331%0.31SS..G310 helixtrans-98.1-2.8178.8-57.3-34.3000112.1R74 A75 I76R74-D78 PolarHBondContact NE-O 2.93Å; R74-D78 PolarHBondContact NH2-O 3.21Å; A75-D78 PolarHBondContact O-N 3.45Å; I76-D78 PolarHBondContact O-N 3.4Å
79V96.2Very high95Very high0 Ų059.5 Ų59.50%032%0.318CS..SBendtrans-79.9135.3178-178.10000110R52 F71 R74 I76 E83 L84R52-V79 WeakPolarHBondContact CD-O 3.33Å; R52-V79 PolarHBondContact NH1-O 3.32Å; F71-V79 HydrophobicContact CB-CG2 3.97Å; F71-V79 HydrophobicContact CD1-CG1 4Å; F71-V79 HydrophobicContact CD1-CG2 3.69Å; F71-V79 HydrophobicContact CD2-CG1 4.22Å; F71-V79 HydrophobicContact CD2-CG2 4.11Å; F71-V79 HydrophobicContact CE1-CG1 3.61Å; F71-V79 HydrophobicContact CE1-CG2 4.19Å; F71-V79 HydrophobicContact CE2-CG1 3.85Å; F71-V79 HydrophobicContact CG-CG1 4.3Å; F71-V79 HydrophobicContact CG-CG2 3.66Å; F71-V79 HydrophobicContact CZ-CG1 3.53Å; R74-V79 HydrophobicContact CG-CG2 4.2Å; R74-V79 VanDerWaalsContact NH2-CA 3.34Å; I76-V79 HydrophobicContact CD1-CB 4.41Å; I76-V79 HydrophobicContact CD1-CG2 4.12Å; I76-V79 WeakPolarHBondContact O-CB 3.49Å; I76-V79 PolarHBondContact O-N 2.89Å; V79-E83 HydrophobicContact CG1-CB 3.54Å; V79-E83 HydrophobicContact CG1-CG 4.46Å; V79-L84 HydrophobicContact CB-CD2 3.88Å; V79-L84 HydrophobicContact CB-CG 4.33Å; V79-L84 HydrophobicContact CG1-CD2 3.61Å; V79-L84 HydrophobicContact CG1-CG 3.9Å
80A96.5Very high94.6Very high37 Ų3759.7 Ų59.731%0.30633%0.329SS..  trans-70.4151.2179.100000111.6D82 E83 L84A80-D82 VanDerWaalsContact C-N 3.29Å; A80-D82 PolarHBondContact O-N 3Å; A80-E83 HydrophobicContact CB-CG 4.16Å; A80-E83 WeakPolarHBondContact CB-OE1 3.41Å; A80-E83 PolarHBondContact N-OE1 2.77Å; A80-E83 VanDerWaalsContact N-OE1 3.09Å; A80-E83 WeakPolarHBondContact O-CB 3.46Å; A80-E83 PolarHBondContact O-N 3Å; A80-L84 PolarHBondContact O-N 3.17Å
81Y96.9Very high94.2Very high2 Ų258.8 Ų58.81%0.00833%0.328CS..Hα-helixtrans-51.4-44.3179.8179.5-99.7000113.4F32 E33 E48 R51 L55 L84 K85F32-Y81 HydrophobicContact CE1-CE2 4.07Å; E33-Y81 VanDerWaalsContact CG-OH 3.3Å; E33-Y81 WeakPolarHBondContact CG-OH 3.32Å; E33-Y81 VanDerWaalsContact OE1-CE1 3.28Å; E33-Y81 WeakPolarHBondContact OE1-CE1 3.45Å; E33-Y81 PolarHBondContact OE1-OH 3.45Å; E33-Y81 VanDerWaalsContact OE1-OH 3.14Å; E48-Y81 VanDerWaalsContact OE1-CB 3.25Å; E48-Y81 WeakPolarHBondContact OE1-CB 3.47Å; E48-Y81 PolarHBondContact OE1-N 3.13Å; R51-Y81 HydrophobicContact CB-CD2 3.94Å; R51-Y81 HydrophobicContact CB-CE2 3.99Å; R51-Y81 HydrophobicContact CB-CG 4.44Å; L55-Y81 HydrophobicContact CB-CD2 4.29Å; L55-Y81 HydrophobicContact CB-CE2 3.85Å; L55-Y81 HydrophobicContact CD2-CD2 3.99Å; L55-Y81 HydrophobicContact CD2-CE2 3.68Å; L55-Y81 HydrophobicContact CG-CE2 4.32Å; Y81-L84 WeakPolarHBondContact O-CB 3.32Å; Y81-L84 PolarHBondContact O-N 2.78Å; Y81-K85 HydrophobicContact CD1-CD 4.18Å; Y81-K85 HydrophobicContact CE1-CD 3.53Å; Y81-K85 HydrophobicContact CE1-CG 4.13Å; Y81-K85 PolarHBondContact O-N 2.76Å
82D96Very high93.8Very high93 Ų9360.2 Ų60.250%0.49733%0.333SS..Hα-helixtrans-70.4-32.7179.1-66.9-41.1000112.9A80 L84 K85 A86A80-D82 VanDerWaalsContact C-N 3.29Å; A80-D82 PolarHBondContact O-N 3Å; D82-L84 VanDerWaalsContact C-N 3.33Å; D82-K85 PolarHBondContact O-N 2.76Å; D82-K85 WeakPolarHBondContact OD1-CE 3.42Å; D82-K85 IonicContact OD1-NZ 3.98Å; D82-K85 PolarHBondContact OD1-NZ 3.3Å; D82-A86 WeakPolarHBondContact O-CB 3.38Å; D82-A86 PolarHBondContact O-N 3.23Å
83E96.6Very high92.8Very high74 Ų7456 Ų5635%0.34632%0.323SS..Hα-helixtrans-63.7-40.6172.3-66.9-179.4-92.200110.6F71 R74 V79 A80 A86 A87F71-E83 HydrophobicContact CE1-CB 4.45Å; F71-E83 HydrophobicContact CZ-CB 4.2Å; R74-E83 IonicContact CZ-OE1 3.56Å; R74-E83 IonicContact CZ-OE2 3.68Å; R74-E83 IonicContact NH1-OE1 3.29Å; R74-E83 PolarHBondContact NH1-OE1 3.4Å; R74-E83 IonicContact NH1-OE2 2.77Å; R74-E83 PolarHBondContact NH1-OE2 2.78Å; R74-E83 IonicContact NH2-OE1 2.7Å; R74-E83 PolarHBondContact NH2-OE1 2.92Å; R74-E83 IonicContact NH2-OE2 3.74Å; V79-E83 HydrophobicContact CG1-CB 3.54Å; V79-E83 HydrophobicContact CG1-CG 4.46Å; A80-E83 HydrophobicContact CB-CG 4.16Å; A80-E83 WeakPolarHBondContact CB-OE1 3.41Å; A80-E83 PolarHBondContact N-OE1 2.77Å; A80-E83 VanDerWaalsContact N-OE1 3.09Å; A80-E83 WeakPolarHBondContact O-CB 3.46Å; A80-E83 PolarHBondContact O-N 3Å; E83-A86 PolarHBondContact O-N 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.09Å
84L96.7Very high91.5Very high0 Ų052.7 Ų52.70%030%0.302CS..Hα-helixtrans-62.3-47.2175.3-63177.1000111.7R52 L55 L56 L67 F71 I76 V79 A80 Y81 D82 A86 A87 I88R52-L84 HydrophobicContact CG-CD1 3.8Å; L55-L84 HydrophobicContact CD2-CB 4.08Å; L55-L84 HydrophobicContact CD2-CD1 4.48Å; L56-L84 HydrophobicContact CD1-CD1 4.21Å; L56-L84 HydrophobicContact CD2-CD1 3.82Å; L56-L84 HydrophobicContact CD2-CD2 4.18Å; L56-L84 HydrophobicContact CG-CD1 3.87Å; L67-L84 HydrophobicContact CD1-CD2 4.18Å; L67-L84 HydrophobicContact CD2-CD2 3.97Å; F71-L84 HydrophobicContact CD2-CD2 4.31Å; F71-L84 HydrophobicContact CE2-CD2 3.9Å; I76-L84 HydrophobicContact CD1-CD2 3.4Å; I76-L84 VanDerWaalsContact CD1-CD2 3.4Å; I76-L84 HydrophobicContact CG1-CD2 4.1Å; V79-L84 HydrophobicContact CB-CD2 3.88Å; V79-L84 HydrophobicContact CB-CG 4.33Å; V79-L84 HydrophobicContact CG1-CD2 3.61Å; V79-L84 HydrophobicContact CG1-CG 3.9Å; A80-L84 PolarHBondContact O-N 3.17Å; Y81-L84 WeakPolarHBondContact O-CB 3.32Å; Y81-L84 PolarHBondContact O-N 2.78Å; D82-L84 VanDerWaalsContact C-N 3.33Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.45Å; L84-A87 PolarHBondContact O-N 2.91Å; L84-I88 WeakPolarHBondContact O-CG1 3.45Å; L84-I88 PolarHBondContact O-N 3.39Å; L84-I88 VanDerWaalsContact O-N 3.08Å
85K95.8Very high90.2Very high42 Ų4258.4 Ų58.418%0.18333%0.329CS..Hα-helixtrans-59.5-44.9176.4-73.8-168.9-63.8-179.30111.5I29 E33 L55 Y81 D82 I88 N89I29-K85 HydrophobicContact CD1-CD 3.72Å; I29-K85 HydrophobicContact CD1-CG 3.85Å; I29-K85 HydrophobicContact CG1-CD 3.55Å; I29-K85 HydrophobicContact CG1-CG 4.02Å; E33-K85 WeakPolarHBondContact OE1-CD 3.45Å; E33-K85 IonicContact OE1-NZ 2.76Å; E33-K85 PolarHBondContact OE1-NZ 2.87Å; L55-K85 HydrophobicContact CD2-CG 4.19Å; Y81-K85 HydrophobicContact CD1-CD 4.18Å; Y81-K85 HydrophobicContact CE1-CD 3.53Å; Y81-K85 HydrophobicContact CE1-CG 4.13Å; Y81-K85 PolarHBondContact O-N 2.76Å; D82-K85 PolarHBondContact O-N 2.76Å; D82-K85 WeakPolarHBondContact OD1-CE 3.42Å; D82-K85 IonicContact OD1-NZ 3.98Å; D82-K85 PolarHBondContact OD1-NZ 3.3Å; K85-I88 PolarHBondContact O-N 3.32Å; K85-N89 WeakPolarHBondContact O-CB 3.39Å; K85-N89 PolarHBondContact O-N 3.11Å
86A94.3Very high89.1Confident57 Ų5759.4 Ų59.447%0.47133%0.334SS..Hα-helixtrans-62.8-42.6179.100000111.9D82 E83 L84 N89 A90D82-A86 WeakPolarHBondContact O-CB 3.38Å; D82-A86 PolarHBondContact O-N 3.23Å; E83-A86 PolarHBondContact O-N 3.29Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.45Å; A86-N89 PolarHBondContact O-N 2.99Å; A86-A90 WeakPolarHBondContact O-CB 3.24Å; A86-A90 PolarHBondContact O-N 3Å
87A94.1Very high88.8Confident5 Ų561 Ų614%0.04135%0.347CS..Hα-helixtrans-63.9-44.1178.100000112.4L67 F71 E83 L84 A90 N91L67-A87 HydrophobicContact CD2-CB 3.9Å; F71-A87 HydrophobicContact CE2-CB 3.65Å; F71-A87 HydrophobicContact CZ-CB 3.76Å; E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.09Å; L84-A87 PolarHBondContact O-N 2.91Å; A87-A90 PolarHBondContact O-N 3.46Å; A87-N91 PolarHBondContact O-ND2 3.36Å
88I93.1Very high88.8Confident0 Ų057.4 Ų57.40%033%0.333CS..Hα-helixtrans-65.7-46.6174.8-62.8174.2000110W25 V59 L67 L84 K85 A90 N91 Y92W25-I88 HydrophobicContact CD2-CB 4.24Å; W25-I88 HydrophobicContact CD2-CG2 3.38Å; W25-I88 VanDerWaalsContact CE2-CG2 3.45Å; W25-I88 HydrophobicContact CE3-CG2 3.49Å; W25-I88 VanDerWaalsContact CE3-CG2 3.49Å; W25-I88 HydrophobicContact CG-CG2 4.03Å; W25-I88 HydrophobicContact CH2-CB 3.99Å; W25-I88 HydrophobicContact CH2-CD1 3.36Å; W25-I88 HydrophobicContact CH2-CG1 4.27Å; W25-I88 HydrophobicContact CH2-CG2 3.73Å; W25-I88 HydrophobicContact CZ2-CB 3.65Å; W25-I88 HydrophobicContact CZ2-CD1 3.82Å; W25-I88 HydrophobicContact CZ2-CG1 4.32Å; W25-I88 HydrophobicContact CZ2-CG2 3.64Å; W25-I88 HydrophobicContact CZ3-CB 4.42Å; W25-I88 HydrophobicContact CZ3-CD1 3.93Å; W25-I88 HydrophobicContact CZ3-CG2 3.66Å; V59-I88 HydrophobicContact CG2-CD1 3.63Å; L67-I88 HydrophobicContact CD1-CD1 3.77Å; L67-I88 HydrophobicContact CD1-CG1 4.1Å; L67-I88 HydrophobicContact CD2-CD1 4.33Å; L67-I88 HydrophobicContact CD2-CG1 3.77Å; L67-I88 HydrophobicContact CG-CD1 4.18Å; L67-I88 HydrophobicContact CG-CG1 3.95Å; L84-I88 WeakPolarHBondContact O-CG1 3.45Å; L84-I88 PolarHBondContact O-N 3.39Å; L84-I88 VanDerWaalsContact O-N 3.08Å; K85-I88 PolarHBondContact O-N 3.32Å; I88-A90 VanDerWaalsContact C-N 3.26Å; I88-A90 PolarHBondContact O-N 3.25Å; I88-N91 WeakPolarHBondContact O-CB 3.29Å; I88-N91 PolarHBondContact O-N 2.95Å; I88-Y92 HydrophobicContact CG2-CD2 3.47Å; I88-Y92 VanDerWaalsContact CG2-CD2 3.47Å; I88-Y92 HydrophobicContact CG2-CE2 3.78Å; I88-Y92 WeakPolarHBondContact O-CD2 3.36Å; I88-Y92 PolarHBondContact O-N 3.37Å; I88-Y92 VanDerWaalsContact O-N 3.1Å
89N91.9Very high88.8Confident75 Ų7558.9 Ų58.940%0.40134%0.339SS..Hα-helixtrans-57.2-40.4179-169.962.4000111.5K85 A86 N91 Y92 A93K85-N89 WeakPolarHBondContact O-CB 3.39Å; K85-N89 PolarHBondContact O-N 3.11Å; A86-N89 PolarHBondContact O-N 2.99Å; N89-N91 PolarHBondContact O-N 3.48Å; N89-N91 VanDerWaalsContact O-N 3.15Å; N89-Y92 PolarHBondContact O-N 3.06Å; N89-A93 WeakPolarHBondContact O-CA 3.33Å; N89-A93 WeakPolarHBondContact O-CB 3.38Å; N89-A93 PolarHBondContact O-N 2.92Å
90A89Confident88.6Confident78 Ų7863.4 Ų63.465%0.64537%0.366SS*.Hα-helixtrans-60.9-24.9176.500000114A86 A87 I88A86-A90 WeakPolarHBondContact O-CB 3.24Å; A86-A90 PolarHBondContact O-N 3Å; A87-A90 PolarHBondContact O-N 3.46Å; I88-A90 VanDerWaalsContact C-N 3.26Å; I88-A90 PolarHBondContact O-N 3.25Å
91N86Confident88.5Confident86 Ų8663 Ų6346%0.4636%0.359SS..Hα-helixtrans-89.9-30.5179.1-75.2-86.8000113.4L66 A87 I88 N89L66-N91 HydrophobicContact CD1-CB 4.11Å; A87-N91 PolarHBondContact O-ND2 3.36Å; I88-N91 WeakPolarHBondContact O-CB 3.29Å; I88-N91 PolarHBondContact O-N 2.95Å; N89-N91 PolarHBondContact O-N 3.48Å; N89-N91 VanDerWaalsContact O-N 3.15Å
92Y87.2Confident88.5Confident57 Ų5766.6 Ų66.622%0.22437%0.373CS..Hα-helixtrans-111.1-10.5-176.2-65.2-75.1000114.6F18 P20 W25 H63 I88 N89 P94F18-Y92 HydrophobicContact CE1-CD1 4.07Å; F18-Y92 AromaticContact CE1-CD2 3.8Å; F18-Y92 HydrophobicContact CE1-CD2 3.8Å; F18-Y92 HydrophobicContact CE1-CE1 4.13Å; F18-Y92 AromaticContact CE1-CE2 3.84Å; F18-Y92 HydrophobicContact CE1-CE2 3.84Å; F18-Y92 AromaticContact CE1-CG 3.91Å; F18-Y92 HydrophobicContact CE1-CG 3.91Å; F18-Y92 HydrophobicContact CZ-CD1 4.33Å; F18-Y92 HydrophobicContact CZ-CG 4.26Å; P20-Y92 HydrophobicContact CB-CD1 4.1Å; P20-Y92 HydrophobicContact CB-CE1 3.8Å; P20-Y92 HydrophobicContact CG-CD1 4.02Å; P20-Y92 HydrophobicContact CG-CE1 3.33Å; W25-Y92 HydrophobicContact CB-CG 4.49Å; H63-Y92 AromaticContact CE1-CZ 3.8Å; H63-Y92 PolarHBondContact CE1-OH 3.28Å; H63-Y92 AromaticContact ND1-CZ 3.89Å; H63-Y92 PolarHBondContact ND1-OH 3.12Å; I88-Y92 HydrophobicContact CG2-CD2 3.47Å; I88-Y92 VanDerWaalsContact CG2-CD2 3.47Å; I88-Y92 HydrophobicContact CG2-CE2 3.78Å; I88-Y92 WeakPolarHBondContact O-CD2 3.36Å; I88-Y92 PolarHBondContact O-N 3.37Å; I88-Y92 VanDerWaalsContact O-N 3.1Å; N89-Y92 PolarHBondContact O-N 3.06Å; Y92-P94 WeakPolarHBondContact O-CD 3.32Å; Y92-P94 VanDerWaalsContact O-N 3.09Å
93A73.5Confident88.5Confident42 Ų4265.8 Ų65.835%0.34737%0.371SS..SBendtrans-56.7121.1171.100000106.5N89 K95N89-A93 WeakPolarHBondContact O-CA 3.33Å; N89-A93 WeakPolarHBondContact O-CB 3.38Å; N89-A93 PolarHBondContact O-N 2.92Å; A93-K95 PolarHBondContact O-N 2.95Å
94P68.3Low88.4Confident74 Ų7467.4 Ų67.448%0.48138%0.378SS..  trans-55.5139172.821.8-29.5000107.2Y92 S96Y92-P94 WeakPolarHBondContact O-CD 3.32Å; Y92-P94 VanDerWaalsContact O-N 3.09Å; P94-S96 PolarHBondContact O-N 3.35Å
95K67.7Low88.5Confident220 Ų22067.6 Ų67.696%0.95738%0.379SS*.  trans-68.763.4158.6-66.2-179.7-178177.20107A93A93-K95 PolarHBondContact O-N 2.95Å
96S72.2Confident88.6Confident61 Ų6168.7 Ų68.743%0.42739%0.392SS..  trans-78.7130.5-176.256.80000108.2P94 D101P94-S96 PolarHBondContact O-N 3.35Å; S96-D101 WeakPolarHBondContact CB-OD2 3.22Å
97S87.2Confident88.7Confident56 Ų5672.5 Ų72.539%0.39240%0.402SS..  trans-92.6115.9164.6169.90000105.9M99 V100 D101S97-M99 PolarHBondContact O-N 3.18Å; S97-M99 PolarHBondContact OG-N 3.03Å; S97-V100 WeakPolarHBondContact O-CA 3.42Å; S97-V100 WeakPolarHBondContact O-CB 3.38Å; S97-V100 PolarHBondContact O-N 3.02Å; S97-V100 PolarHBondContact OG-N 3.34Å; S97-D101 PolarHBondContact O-N 3.44Å
98V91.7Very high88.9Confident52 Ų5273.9 Ų73.932%0.31541%0.406SS..Hα-helixtrans-49-33.91741760000110.7D101 R102 C130 D131V98-D101 PolarHBondContact O-N 3.46Å; V98-R102 HydrophobicContact CG1-CG 4.45Å; V98-R102 WeakPolarHBondContact O-CB 3.41Å; V98-R102 VanDerWaalsContact O-CG 3.22Å; V98-R102 WeakPolarHBondContact O-CG 3.32Å; V98-R102 PolarHBondContact O-N 3.03Å; V98-C130 WeakPolarHBondContact CG1-O 2.99Å; V98-D131 HydrophobicContact CG1-CB 3.96Å; V98-D131 HydrophobicContact CG2-CB 4.45Å
99M93.2Very high89.1Confident126 Ų12678.4 Ų78.462%0.62143%0.425SS*.Hα-helixtrans-69.3-38.5176.1-64.9-59.6173.500113S97 R102 V103S97-M99 PolarHBondContact O-N 3.18Å; S97-M99 PolarHBondContact OG-N 3.03Å; M99-R102 PolarHBondContact O-N 3.46Å; M99-V103 VanDerWaalsContact O-CG2 3.23Å; M99-V103 WeakPolarHBondContact O-CG2 3.18Å; M99-V103 PolarHBondContact O-N 3.4Å
100V93.2Very high89.4Confident94 Ų9475.4 Ų75.457%0.5741%0.409SS*.Hα-helixtrans-64.8-43.3173.3173.20000110.3S97 R102 V103 H104S97-V100 WeakPolarHBondContact O-CA 3.42Å; S97-V100 WeakPolarHBondContact O-CB 3.38Å; S97-V100 PolarHBondContact O-N 3.02Å; S97-V100 PolarHBondContact OG-N 3.34Å; V100-R102 VanDerWaalsContact C-N 3.34Å; V100-R102 PolarHBondContact O-N 3.08Å; V100-V103 PolarHBondContact O-N 3.22Å; V100-H104 WeakPolarHBondContact O-CB 3.46Å; V100-H104 PolarHBondContact O-N 3.43Å
101D93.8Very high89.8Confident29 Ų2979.4 Ų79.416%0.15541%0.407CS..Hα-helixtrans-62.2-42.9177.4-65.1-48.6000111.3S96 S97 V98 H104 F105 K129 C130S96-D101 WeakPolarHBondContact CB-OD2 3.22Å; S97-D101 PolarHBondContact O-N 3.44Å; V98-D101 PolarHBondContact O-N 3.46Å; D101-H104 PolarHBondContact O-N 3.21Å; D101-F105 WeakPolarHBondContact O-CB 3.38Å; D101-F105 PolarHBondContact O-N 2.94Å; D101-K129 HydrophobicContact CB-CB 3.98Å; D101-C130 VanDerWaalsContact C-SG 3.54Å; D101-C130 PolarHBondContact O-SG 3.36Å
102R96.3Very high90.2Very high78 Ų7884.2 Ų84.229%0.29442%0.424SS..Hα-helixtrans-63-41174.7-75.9178.1177.7-163.22.5112.6V98 M99 V100 F105 S106 C130 D131 F132V98-R102 HydrophobicContact CG1-CG 4.45Å; V98-R102 WeakPolarHBondContact O-CB 3.41Å; V98-R102 VanDerWaalsContact O-CG 3.22Å; V98-R102 WeakPolarHBondContact O-CG 3.32Å; V98-R102 PolarHBondContact O-N 3.03Å; M99-R102 PolarHBondContact O-N 3.46Å; V100-R102 VanDerWaalsContact C-N 3.34Å; V100-R102 PolarHBondContact O-N 3.08Å; R102-F105 WeakPolarHBondContact O-CB 3.36Å; R102-F105 PolarHBondContact O-N 2.94Å; R102-S106 PolarHBondContact O-N 3.4Å; R102-S106 PolarHBondContact O-OG 2.97Å; R102-C130 HydrophobicContact CG-CB 3.81Å; R102-C130 PolarHBondContact NE-O 3.12Å; R102-C130 PolarHBondContact NH2-O 3.15Å; R102-C130 VanDerWaalsContact NH2-O 3.17Å; R102-D131 PolarHBondContact NH2-O 3.12Å; R102-F132 HydrophobicContact CG-CE1 3.85Å; R102-F132 HydrophobicContact CG-CZ 4.12Å
103V96.4Very high90.5Very high76 Ų7688.3 Ų88.346%0.46145%0.45SS..Hα-helixtrans-63.2-45174.4169.70000110.3M99 V100 F105 S106 M107M99-V103 VanDerWaalsContact O-CG2 3.23Å; M99-V103 WeakPolarHBondContact O-CG2 3.18Å; M99-V103 PolarHBondContact O-N 3.4Å; V100-V103 PolarHBondContact O-N 3.22Å; V103-F105 VanDerWaalsContact C-N 3.34Å; V103-F105 PolarHBondContact O-N 2.93Å; V103-S106 PolarHBondContact O-N 2.92Å; V103-M107 HydrophobicContact CG1-CE 3.66Å; V103-M107 HydrophobicContact CG1-CG 4.34Å; V103-M107 HydrophobicContact CG1-SD 3.81Å; V103-M107 WeakPolarHBondContact O-CB 3.41Å; V103-M107 VanDerWaalsContact O-CG 3.32Å; V103-M107 WeakPolarHBondContact O-CG 3.4Å; V103-M107 PolarHBondContact O-N 3.05Å
104H95.9Very high91.7Very high107 Ų10787.2 Ų87.250%0.49544%0.437SS..Hα-helixtrans-62.1-41.3177.3-171.9-93.8000112V100 D101 M107 R108 L126V100-H104 WeakPolarHBondContact O-CB 3.46Å; V100-H104 PolarHBondContact O-N 3.43Å; D101-H104 PolarHBondContact O-N 3.21Å; H104-M107 PolarHBondContact O-N 3.48Å; H104-R108 PolarHBondContact O-N 3.44Å; H104-L126 VanDerWaalsContact CE1-CD2 3.42Å; H104-L126 WeakPolarHBondContact CE1-CD2 3.06Å; H104-L126 WeakPolarHBondContact ND1-CD1 3.35Å; H104-L126 WeakPolarHBondContact ND1-CD2 3.45Å
105F97.8Very high93Very high4 Ų485.1 Ų85.12%0.01842%0.424CS..Hα-helixtrans-58.6-48.9171.7172.9-91.4000112D101 R102 V103 M107 R108 L123 L126 A127 F132 R139 L140 Q143D101-F105 WeakPolarHBondContact O-CB 3.38Å; D101-F105 PolarHBondContact O-N 2.94Å; R102-F105 WeakPolarHBondContact O-CB 3.36Å; R102-F105 PolarHBondContact O-N 2.94Å; V103-F105 VanDerWaalsContact C-N 3.34Å; V103-F105 PolarHBondContact O-N 2.93Å; F105-M107 VanDerWaalsContact C-N 3.31Å; F105-M107 PolarHBondContact O-N 3.43Å; F105-R108 VanDerWaalsContact O-CB 3.27Å; F105-R108 WeakPolarHBondContact O-CB 3.37Å; F105-R108 PolarHBondContact O-N 2.91Å; F105-R108 VanDerWaalsContact O-N 3.13Å; F105-L123 HydrophobicContact CD2-CD2 4.18Å; F105-L123 HydrophobicContact CE2-CB 4.31Å; F105-L123 HydrophobicContact CE2-CD2 3.94Å; F105-L126 HydrophobicContact CB-CB 4.39Å; F105-L126 HydrophobicContact CD2-CB 4.19Å; F105-A127 HydrophobicContact CD2-CB 4.05Å; F105-A127 HydrophobicContact CE2-CB 3.88Å; F105-F132 AromaticContact CD1-CE2 3.95Å; F105-F132 HydrophobicContact CD1-CE2 3.95Å; F105-F132 AromaticContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD2-CE2 4.14Å; F105-F132 AromaticContact CE1-CE2 3.97Å; F105-F132 HydrophobicContact CE1-CE2 3.97Å; F105-F132 AromaticContact CE1-CZ 3.88Å; F105-F132 HydrophobicContact CE1-CZ 3.88Å; F105-F132 HydrophobicContact CE2-CE2 4.17Å; F105-F132 HydrophobicContact CG-CE2 4.03Å; F105-F132 HydrophobicContact CG-CZ 4.05Å; F105-F132 HydrophobicContact CZ-CE2 4.08Å; F105-F132 HydrophobicContact CZ-CZ 4.45Å; F105-R139 HydrophobicContact CE1-CB 4.35Å; F105-R139 HydrophobicContact CZ-CB 4.39Å; F105-L140 HydrophobicContact CE2-CD2 3.85Å; F105-L140 HydrophobicContact CZ-CD2 4.27Å; F105-Q143 HydrophobicContact CD1-CG 4.36Å; F105-Q143 HydrophobicContact CE1-CB 3.63Å; F105-Q143 HydrophobicContact CE1-CG 3.77Å; F105-Q143 HydrophobicContact CE2-CB 4.4Å; F105-Q143 HydrophobicContact CE2-CG 4.34Å; F105-Q143 HydrophobicContact CZ-CB 3.48Å; F105-Q143 VanDerWaalsContact CZ-CB 3.48Å; F105-Q143 HydrophobicContact CZ-CG 3.76Å; F105-Q143 PolarHBondContact O-NE2 3.33Å
106S97.3Very high94.5Very high65 Ų6574.7 Ų74.746%0.45538%0.379SS..Hα-helixtrans-67-29.9179.7-67.20000113.5R102 V103 R108 Q143R102-S106 PolarHBondContact O-N 3.4Å; R102-S106 PolarHBondContact O-OG 2.97Å; V103-S106 PolarHBondContact O-N 2.92Å; S106-R108 PolarHBondContact O-N 3.33Å; S106-Q143 PolarHBondContact O-NE2 3.38Å
107M97.2Very high95.7Very high138 Ų13877.7 Ų77.768%0.6839%0.388SS*.THydrogen-bonded Turntrans-80.50.6175.5-70.9-178.8174.200113.4V103 H104 F105 F109V103-M107 HydrophobicContact CG1-CE 3.66Å; V103-M107 HydrophobicContact CG1-CG 4.34Å; V103-M107 HydrophobicContact CG1-SD 3.81Å; V103-M107 WeakPolarHBondContact O-CB 3.41Å; V103-M107 VanDerWaalsContact O-CG 3.32Å; V103-M107 WeakPolarHBondContact O-CG 3.4Å; V103-M107 PolarHBondContact O-N 3.05Å; H104-M107 PolarHBondContact O-N 3.48Å; F105-M107 VanDerWaalsContact C-N 3.31Å; F105-M107 PolarHBondContact O-N 3.43Å; M107-F109 VanDerWaalsContact O-CD2 3.28Å; M107-F109 WeakPolarHBondContact O-CD2 3.36Å; M107-F109 PolarHBondContact O-N 2.91Å
108R98Very high96.2Very high33 Ų3380 Ų8013%0.12539%0.393CS..  trans-82.9108.4179.7-174.649.1171.4103.16.7110.9H104 F105 S106 E114 F119 A122 L123 L126 Q143H104-R108 PolarHBondContact O-N 3.44Å; F105-R108 VanDerWaalsContact O-CB 3.27Å; F105-R108 WeakPolarHBondContact O-CB 3.37Å; F105-R108 PolarHBondContact O-N 2.91Å; F105-R108 VanDerWaalsContact O-N 3.13Å; S106-R108 PolarHBondContact O-N 3.33Å; R108-E114 IonicContact CZ-OE1 3.29Å; R108-E114 IonicContact CZ-OE2 3.89Å; R108-E114 IonicContact NH1-OE1 3.3Å; R108-E114 IonicContact NH1-OE2 3.76Å; R108-E114 PolarHBondContact NH1-OE2 3.46Å; R108-E114 IonicContact NH2-OE1 2.68Å; R108-E114 PolarHBondContact NH2-OE1 3.28Å; R108-E114 IonicContact NH2-OE2 2.87Å; R108-E114 PolarHBondContact NH2-OE2 2.79Å; R108-F119 HydrophobicContact CG-CD2 4.47Å; R108-F119 HydrophobicContact CG-CE2 4.04Å; R108-A122 VanDerWaalsContact NH2-CB 3.25Å; R108-L123 HydrophobicContact CB-CD2 3.7Å; R108-L123 HydrophobicContact CG-CD2 3.59Å; R108-L123 HydrophobicContact CG-CG 4.3Å; R108-L126 HydrophobicContact CB-CD1 3.86Å; R108-L126 HydrophobicContact CG-CD1 3.89Å; R108-Q143 PolarHBondContact O-NE2 2.87Å
109F98.3Very high96.5Very high95 Ų9577.6 Ų77.642%0.41738%0.378SS..  trans-112.7139.6172.8-68.4-95000110.5M107 R111 I146 G147 N149M107-F109 VanDerWaalsContact O-CD2 3.28Å; M107-F109 WeakPolarHBondContact O-CD2 3.36Å; M107-F109 PolarHBondContact O-N 2.91Å; F109-R111 PolarHBondContact O-N 2.94Å; F109-I146 HydrophobicContact CE1-CG2 4.26Å; F109-I146 WeakPolarHBondContact CE1-O 3.33Å; F109-I146 HydrophobicContact CZ-CG2 4.38Å; F109-G147 CarbonylContact C-O 3.53Å; F109-G147 WeakPolarHBondContact CA-O 3.26Å; F109-N149 HydrophobicContact CB-CB 4.34Å
110R98.1Very high96.7Very high12 Ų1272 Ų725%0.04535%0.35CS..  trans-54.2135.3174.4-173.3-179.275.896-4.7110.1E114 F119 G147 I148 N149R110-E114 HydrophobicContact CG-CB 4.32Å; R110-E114 HydrophobicContact CG-CG 4.33Å; R110-E114 PolarHBondContact NH1-O 2.85Å; R110-F119 HydrophobicContact CB-CB 4.07Å; R110-F119 HydrophobicContact CB-CD1 3.88Å; R110-F119 HydrophobicContact CB-CD2 3.81Å; R110-F119 HydrophobicContact CB-CE1 4.23Å; R110-F119 HydrophobicContact CB-CE2 4.17Å; R110-F119 HydrophobicContact CB-CG 3.65Å; R110-F119 HydrophobicContact CB-CZ 4.37Å; R110-F119 HydrophobicContact CG-CB 3.82Å; R110-F119 HydrophobicContact CG-CD1 4.32Å; R110-F119 HydrophobicContact CG-CD2 4.48Å; R110-F119 HydrophobicContact CG-CG 3.97Å; R110-F119 VanDerWaalsContact N-CE2 3.28Å; R110-G147 PolarHBondContact N-O 3.31Å; R110-I148 PolarHBondContact NE-O 2.93Å; R110-N149 HydrophobicContact CB-CB 4.32Å; R110-N149 WeakPolarHBondContact O-CB 3.25Å; R110-N149 PolarHBondContact O-ND2 2.97Å
111R97.5Very high96.9Very high162 Ų16272 Ų7261%0.61135%0.347SS*.  trans-79.7152172.2-58.7179-179.5134.6-2.3110.1F109 N113 E114F109-R111 PolarHBondContact O-N 2.94Å; R111-N113 WeakPolarHBondContact CB-OD1 3.44Å; R111-N113 PolarHBondContact O-N 3.24Å; R111-N113 VanDerWaalsContact O-N 3.13Å; R111-E114 HydrophobicContact CB-CB 3.84Å; R111-E114 PolarHBondContact N-OE2 3.44Å; R111-E114 WeakPolarHBondContact O-CB 3.4Å; R111-E114 PolarHBondContact O-N 2.78Å
112K93.5Very high97.1Very high187 Ų18772.1 Ų72.181%0.81335%0.352SS*.THydrogen-bonded Turntrans-56.9-32.5180-70-174.8176.6-178.70113.2
113N94.3Very high97.2Very high143 Ų14368.4 Ų68.477%0.76534%0.338SS*.THydrogen-bonded Turntrans-97.813.5-18066-41.1000113.8R111R111-N113 WeakPolarHBondContact CB-OD1 3.44Å; R111-N113 PolarHBondContact O-N 3.24Å; R111-N113 VanDerWaalsContact O-N 3.13Å
114E97Very high97.2Very high20 Ų2069.8 Ų69.89%0.09334%0.336CS..SBendtrans-110.1134.5-179.5171.1176.4-135.100109.7R108 R110 R111 Q118 F119R108-E114 IonicContact CZ-OE1 3.29Å; R108-E114 IonicContact CZ-OE2 3.89Å; R108-E114 IonicContact NH1-OE1 3.3Å; R108-E114 IonicContact NH1-OE2 3.76Å; R108-E114 PolarHBondContact NH1-OE2 3.46Å; R108-E114 IonicContact NH2-OE1 2.68Å; R108-E114 PolarHBondContact NH2-OE1 3.28Å; R108-E114 IonicContact NH2-OE2 2.87Å; R108-E114 PolarHBondContact NH2-OE2 2.79Å; R110-E114 HydrophobicContact CG-CB 4.32Å; R110-E114 HydrophobicContact CG-CG 4.33Å; R110-E114 PolarHBondContact NH1-O 2.85Å; R111-E114 HydrophobicContact CB-CB 3.84Å; R111-E114 PolarHBondContact N-OE2 3.44Å; R111-E114 WeakPolarHBondContact O-CB 3.4Å; R111-E114 PolarHBondContact O-N 2.78Å; E114-Q118 HydrophobicContact CG-CB 3.68Å; E114-F119 HydrophobicContact CG-CB 4.17Å; E114-F119 PolarHBondContact OE1-N 2.97Å
115S97.2Very high97.1Very high29 Ų2966.7 Ų66.720%0.20333%0.332CS..  trans-72.3158.7177.973.20000112.4M117 Q118 F119 E179S115-M117 PolarHBondContact O-N 2.87Å; S115-Q118 PolarHBondContact O-N 3.46Å; S115-Q118 WeakPolarHBondContact OG-CG 3.19Å; S115-Q118 PolarHBondContact OG-N 2.9Å; S115-F119 PolarHBondContact O-N 3.24Å; S115-E179 WeakPolarHBondContact CA-OE1 3.11Å; S115-E179 WeakPolarHBondContact CB-OE1 3.31Å
116V97.9Very high97Very high1 Ų168.5 Ų68.51%0.00634%0.342CS..Hα-helixtrans-55.8-43.4175.5174.90000110.9Q118 F119 V120 I148 W153 A175 E179V116-Q118 PolarHBondContact O-N 3Å; V116-F119 PolarHBondContact O-N 3.26Å; V116-V120 HydrophobicContact CG1-CG2 4.32Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.31Å; V116-V120 PolarHBondContact O-N 2.76Å; V116-I148 HydrophobicContact CG2-CD1 4.15Å; V116-W153 HydrophobicContact CG2-CZ3 3.8Å; V116-A175 HydrophobicContact CG1-CB 3.74Å; V116-A175 HydrophobicContact CG2-CB 4.33Å; V116-E179 HydrophobicContact CG2-CB 3.92Å; V116-E179 HydrophobicContact CG2-CG 4.47Å; V116-E179 PolarHBondContact N-OE1 3.37Å
117M97.6Very high96.9Very high125 Ų12565.6 Ų65.662%0.61632%0.322SS*.Hα-helixtrans-61.8-44.5178-178.7176.861.100112.6S115 F119 V120 N121S115-M117 PolarHBondContact O-N 2.87Å; M117-F119 VanDerWaalsContact C-N 3.33Å; M117-F119 PolarHBondContact O-N 3.45Å; M117-V120 PolarHBondContact O-N 3.03Å; M117-N121 WeakPolarHBondContact O-CB 3.44Å; M117-N121 VanDerWaalsContact O-CG 3.22Å; M117-N121 PolarHBondContact O-N 3.49Å; M117-N121 PolarHBondContact O-ND2 3.13Å
118Q98.1Very high96.6Very high105 Ų10562.3 Ų62.349%0.49132%0.323SS..Hα-helixtrans-62.3-42.6177.3-75.5170.9-20.700111.5E114 S115 V116 N121 A122E114-Q118 HydrophobicContact CG-CB 3.68Å; S115-Q118 PolarHBondContact O-N 3.46Å; S115-Q118 WeakPolarHBondContact OG-CG 3.19Å; S115-Q118 PolarHBondContact OG-N 2.9Å; V116-Q118 PolarHBondContact O-N 3Å; Q118-N121 PolarHBondContact O-N 3.45Å; Q118-A122 WeakPolarHBondContact O-CB 3.39Å; Q118-A122 PolarHBondContact O-N 3.01Å
119F98.4Very high96.1Very high0 Ų064.3 Ų64.30%033%0.333CS..Hα-helixtrans-63.1-47.6177.6168.7-121.6000112.6R108 R110 E114 S115 V116 M117 N121 A122 L123 G147R108-F119 HydrophobicContact CG-CD2 4.47Å; R108-F119 HydrophobicContact CG-CE2 4.04Å; R110-F119 HydrophobicContact CB-CB 4.07Å; R110-F119 HydrophobicContact CB-CD1 3.88Å; R110-F119 HydrophobicContact CB-CD2 3.81Å; R110-F119 HydrophobicContact CB-CE1 4.23Å; R110-F119 HydrophobicContact CB-CE2 4.17Å; R110-F119 HydrophobicContact CB-CG 3.65Å; R110-F119 HydrophobicContact CB-CZ 4.37Å; R110-F119 HydrophobicContact CG-CB 3.82Å; R110-F119 HydrophobicContact CG-CD1 4.32Å; R110-F119 HydrophobicContact CG-CD2 4.48Å; R110-F119 HydrophobicContact CG-CG 3.97Å; R110-F119 VanDerWaalsContact N-CE2 3.28Å; E114-F119 HydrophobicContact CG-CB 4.17Å; E114-F119 PolarHBondContact OE1-N 2.97Å; S115-F119 PolarHBondContact O-N 3.24Å; V116-F119 PolarHBondContact O-N 3.26Å; M117-F119 VanDerWaalsContact C-N 3.33Å; M117-F119 PolarHBondContact O-N 3.45Å; F119-N121 VanDerWaalsContact C-N 3.34Å; F119-N121 PolarHBondContact O-N 2.83Å; F119-A122 PolarHBondContact O-N 3.01Å; F119-L123 HydrophobicContact CD1-CD1 4.35Å; F119-L123 HydrophobicContact CD2-CD1 4.41Å; F119-L123 HydrophobicContact CD2-CG 4.26Å; F119-L123 HydrophobicContact CE1-CD1 3.77Å; F119-L123 HydrophobicContact CE2-CD1 3.84Å; F119-L123 HydrophobicContact CE2-CD2 4.15Å; F119-L123 HydrophobicContact CE2-CG 3.85Å; F119-L123 HydrophobicContact CZ-CD1 3.48Å; F119-L123 VanDerWaalsContact CZ-CD1 3.48Å; F119-L123 HydrophobicContact CZ-CD2 4.41Å; F119-L123 HydrophobicContact CZ-CG 4.03Å; F119-L123 PolarHBondContact O-N 3.24Å; F119-G147 WeakPolarHBondContact CZ-O 3.26Å
120V97.9Very high95.9Very high8 Ų859.8 Ų59.85%0.04831%0.313CS..Hα-helixtrans-59.9-44.2176.5167.30000111V116 M117 A122 L123 R124 V144 E172V116-V120 HydrophobicContact CG1-CG2 4.32Å; V116-V120 VanDerWaalsContact O-CG2 3.31Å; V116-V120 WeakPolarHBondContact O-CG2 3.31Å; V116-V120 PolarHBondContact O-N 2.76Å; M117-V120 PolarHBondContact O-N 3.03Å; V120-A122 VanDerWaalsContact C-N 3.34Å; V120-A122 PolarHBondContact O-N 3.24Å; V120-L123 WeakPolarHBondContact O-CB 3.42Å; V120-L123 PolarHBondContact O-N 3.07Å; V120-R124 WeakPolarHBondContact O-CG 3.48Å; V120-R124 PolarHBondContact O-N 2.87Å; V120-V144 HydrophobicContact CG2-CG2 3.95Å; V120-E172 HydrophobicContact CG1-CG 4.32Å; V120-E172 WeakPolarHBondContact CG1-OE1 3.36Å; V120-E172 HydrophobicContact CG2-CG 4.01Å
121N97.3Very high95.6Very high94 Ų9464.9 Ų64.950%0.50334%0.341SS..Hα-helixtrans-62.2-41.8177.2-72.1-16.3000111.9M117 Q118 F119 L123 R124 G125M117-N121 WeakPolarHBondContact O-CB 3.44Å; M117-N121 VanDerWaalsContact O-CG 3.22Å; M117-N121 PolarHBondContact O-N 3.49Å; M117-N121 PolarHBondContact O-ND2 3.13Å; Q118-N121 PolarHBondContact O-N 3.45Å; F119-N121 VanDerWaalsContact C-N 3.34Å; F119-N121 PolarHBondContact O-N 2.83Å; N121-L123 PolarHBondContact O-N 3.2Å; N121-R124 PolarHBondContact O-N 3.4Å; N121-G125 PolarHBondContact O-N 3.23Å
122A97.3Very high95.5Very high32 Ų3258.3 Ų58.326%0.26432%0.317SS..Hα-helixtrans-62.7-41.1174.400000111.9R108 Q118 F119 V120 G125 L126R108-A122 VanDerWaalsContact NH2-CB 3.25Å; Q118-A122 WeakPolarHBondContact O-CB 3.39Å; Q118-A122 PolarHBondContact O-N 3.01Å; F119-A122 PolarHBondContact O-N 3.01Å; V120-A122 VanDerWaalsContact C-N 3.34Å; V120-A122 PolarHBondContact O-N 3.24Å; A122-G125 PolarHBondContact O-N 3.44Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 2.92Å; A122-L126 VanDerWaalsContact O-N 3.11Å
123L97.9Very high95.6Very high0 Ų051.8 Ų51.80%030%0.303CS..Hα-helixtrans-61.2-44.1174.5-76178.4000112.2F105 R108 F119 V120 N121 G125 L126 A127 L140 Q143 V144F105-L123 HydrophobicContact CD2-CD2 4.18Å; F105-L123 HydrophobicContact CE2-CB 4.31Å; F105-L123 HydrophobicContact CE2-CD2 3.94Å; R108-L123 HydrophobicContact CB-CD2 3.7Å; R108-L123 HydrophobicContact CG-CD2 3.59Å; R108-L123 HydrophobicContact CG-CG 4.3Å; F119-L123 HydrophobicContact CD1-CD1 4.35Å; F119-L123 HydrophobicContact CD2-CD1 4.41Å; F119-L123 HydrophobicContact CD2-CG 4.26Å; F119-L123 HydrophobicContact CE1-CD1 3.77Å; F119-L123 HydrophobicContact CE2-CD1 3.84Å; F119-L123 HydrophobicContact CE2-CD2 4.15Å; F119-L123 HydrophobicContact CE2-CG 3.85Å; F119-L123 HydrophobicContact CZ-CD1 3.48Å; F119-L123 VanDerWaalsContact CZ-CD1 3.48Å; F119-L123 HydrophobicContact CZ-CD2 4.41Å; F119-L123 HydrophobicContact CZ-CG 4.03Å; F119-L123 PolarHBondContact O-N 3.24Å; V120-L123 WeakPolarHBondContact O-CB 3.42Å; V120-L123 PolarHBondContact O-N 3.07Å; N121-L123 PolarHBondContact O-N 3.2Å; L123-G125 VanDerWaalsContact C-N 3.31Å; L123-G125 PolarHBondContact O-N 3.29Å; L123-L126 PolarHBondContact O-N 3.22Å; L123-A127 WeakPolarHBondContact O-CB 3.41Å; L123-A127 PolarHBondContact O-N 3.24Å; L123-L140 HydrophobicContact CB-CD2 3.81Å; L123-Q143 HydrophobicContact CD1-CB 4.3Å; L123-Q143 HydrophobicContact CD1-CG 4.02Å; L123-Q143 HydrophobicContact CD2-CB 4.45Å; L123-Q143 HydrophobicContact CD2-CG 3.51Å; L123-Q143 HydrophobicContact CG-CG 4.43Å; L123-V144 HydrophobicContact CD1-CG2 3.91Å
124R96.8Very high95.6Very high106 Ų10653.4 Ų53.440%0.431%0.312SS..Hα-helixtrans-60-41.6176.9-70.9176.2-174-81.22.7111.6V120 N121 A127 G128 L140 L168 E172V120-R124 WeakPolarHBondContact O-CG 3.48Å; V120-R124 PolarHBondContact O-N 2.87Å; N121-R124 PolarHBondContact O-N 3.4Å; R124-A127 PolarHBondContact O-N 3.46Å; R124-G128 PolarHBondContact O-N 3.01Å; R124-L140 HydrophobicContact CG-CD1 4.07Å; R124-L140 HydrophobicContact CG-CD2 4.16Å; R124-L168 VanDerWaalsContact NH2-CD2 3.34Å; R124-E172 IonicContact CZ-OE1 3.88Å; R124-E172 IonicContact NE-OE1 2.96Å; R124-E172 IonicContact NH2-OE1 3.39Å; R124-E172 PolarHBondContact NH2-OE1 2.95Å; R124-E172 IonicContact NH2-OE2 3.77Å; R124-E172 PolarHBondContact NH2-OE2 3.47Å
125G93.7Very high95.6Very high41 Ų4153.9 Ų53.942%0.42332%0.319SS..Hα-helixtrans-60.2-44.8174.500000112.9N121 A122 L123N121-G125 PolarHBondContact O-N 3.23Å; A122-G125 PolarHBondContact O-N 3.44Å; L123-G125 VanDerWaalsContact C-N 3.31Å; L123-G125 PolarHBondContact O-N 3.29Å
126L95Very high95.6Very high43 Ų4355.8 Ų55.823%0.22533%0.326CS..Hα-helixtrans-68.4-39.2177.7-64.7-179.6000112.9H104 F105 R108 A122 L123 G128 K129 C130H104-L126 VanDerWaalsContact CE1-CD2 3.42Å; H104-L126 WeakPolarHBondContact CE1-CD2 3.06Å; H104-L126 WeakPolarHBondContact ND1-CD1 3.35Å; H104-L126 WeakPolarHBondContact ND1-CD2 3.45Å; F105-L126 HydrophobicContact CB-CB 4.39Å; F105-L126 HydrophobicContact CD2-CB 4.19Å; R108-L126 HydrophobicContact CB-CD1 3.86Å; R108-L126 HydrophobicContact CG-CD1 3.89Å; A122-L126 WeakPolarHBondContact O-CG 3.34Å; A122-L126 PolarHBondContact O-N 2.92Å; A122-L126 VanDerWaalsContact O-N 3.11Å; L123-L126 PolarHBondContact O-N 3.22Å; L126-G128 PolarHBondContact O-N 3.49Å; L126-K129 PolarHBondContact O-N 3.19Å; L126-C130 PolarHBondContact O-SG 3.25Å
127A95.9Very high95.5Very high4 Ų459.1 Ų59.13%0.03335%0.35CS..Hα-helixtrans-63-25.8-178.600000112.8F105 L123 R124 K129 C130 F132 L136 L140F105-A127 HydrophobicContact CD2-CB 4.05Å; F105-A127 HydrophobicContact CE2-CB 3.88Å; L123-A127 WeakPolarHBondContact O-CB 3.41Å; L123-A127 PolarHBondContact O-N 3.24Å; R124-A127 PolarHBondContact O-N 3.46Å; A127-K129 PolarHBondContact O-N 3.31Å; A127-C130 WeakPolarHBondContact O-CB 3.43Å; A127-C130 PolarHBondContact O-N 2.9Å; A127-F132 HydrophobicContact CB-CD2 4.07Å; A127-F132 HydrophobicContact CB-CE2 4.04Å; A127-L136 HydrophobicContact CB-CD1 3.51Å; A127-L140 HydrophobicContact CB-CD2 4.1Å; A127-L140 HydrophobicContact CB-CG 4.46Å
128G90.2Very high95.5Very high68 Ų6858.2 Ų58.270%0.70134%0.344SS*.THydrogen-bonded Turntrans-58.1-28.4177.900000114.3R124 L126R124-G128 PolarHBondContact O-N 3.01Å; L126-G128 PolarHBondContact O-N 3.49Å
129K88.5Confident95.5Very high75 Ų7559.4 Ų59.433%0.32634%0.344SS..THydrogen-bonded Turntrans-96.5-3.3179.3-58.7179.7-176.6-1790113.4E24 D101 L126 A127E24-K129 IonicContact OE1-NZ 3.37Å; E24-K129 PolarHBondContact OE1-NZ 3.2Å; E24-K129 WeakPolarHBondContact OE2-CE 3.34Å; E24-K129 IonicContact OE2-NZ 3.33Å; E24-K129 PolarHBondContact OE2-NZ 2.8Å; D101-K129 HydrophobicContact CB-CB 3.98Å; L126-K129 PolarHBondContact O-N 3.19Å; A127-K129 PolarHBondContact O-N 3.31Å
130C93.3Very high95.5Very high0 Ų059.5 Ų59.50%035%0.345CS..SBendtrans-88.8-4.3-171.1-68.20000114.6V98 D101 R102 L126 A127 F132V98-C130 WeakPolarHBondContact CG1-O 2.99Å; D101-C130 VanDerWaalsContact C-SG 3.54Å; D101-C130 PolarHBondContact O-SG 3.36Å; R102-C130 HydrophobicContact CG-CB 3.81Å; R102-C130 PolarHBondContact NE-O 3.12Å; R102-C130 PolarHBondContact NH2-O 3.15Å; R102-C130 VanDerWaalsContact NH2-O 3.17Å; L126-C130 PolarHBondContact O-SG 3.25Å; A127-C130 WeakPolarHBondContact O-CB 3.43Å; A127-C130 PolarHBondContact O-N 2.9Å; C130-F132 VanDerWaalsContact C-N 3.29Å; C130-F132 HydrophobicContact CB-CD1 4.13Å; C130-F132 HydrophobicContact CB-CD2 3.52Å; C130-F132 HydrophobicContact CB-CE1 3.88Å; C130-F132 HydrophobicContact CB-CE2 3.23Å; C130-F132 HydrophobicContact CB-CG 3.97Å; C130-F132 HydrophobicContact CB-CZ 3.43Å; C130-F132 VanDerWaalsContact CB-CZ 3.43Å; C130-F132 PolarHBondContact O-N 3Å
131D92.8Very high95.5Very high119 Ų11960.2 Ų60.264%0.63635%0.346SS*.  trans47.149.9-177.1-169.626000112.6V98 R102 G133V98-D131 HydrophobicContact CG1-CB 3.96Å; V98-D131 HydrophobicContact CG2-CB 4.45Å; R102-D131 PolarHBondContact NH2-O 3.12Å; D131-G133 VanDerWaalsContact C-N 3.28Å
132F95.6Very high95.5Very high24 Ų2458.8 Ų58.811%0.10534%0.339CS..  trans-76.7-16-179.9-69.8-48.2000113.2R102 F105 A127 C130 N134 A135 L136 R139R102-F132 HydrophobicContact CG-CE1 3.85Å; R102-F132 HydrophobicContact CG-CZ 4.12Å; F105-F132 AromaticContact CD1-CE2 3.95Å; F105-F132 HydrophobicContact CD1-CE2 3.95Å; F105-F132 AromaticContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD2-CE2 4.14Å; F105-F132 AromaticContact CE1-CE2 3.97Å; F105-F132 HydrophobicContact CE1-CE2 3.97Å; F105-F132 AromaticContact CE1-CZ 3.88Å; F105-F132 HydrophobicContact CE1-CZ 3.88Å; F105-F132 HydrophobicContact CE2-CE2 4.17Å; F105-F132 HydrophobicContact CG-CE2 4.03Å; F105-F132 HydrophobicContact CG-CZ 4.05Å; F105-F132 HydrophobicContact CZ-CE2 4.08Å; F105-F132 HydrophobicContact CZ-CZ 4.45Å; A127-F132 HydrophobicContact CB-CD2 4.07Å; A127-F132 HydrophobicContact CB-CE2 4.04Å; C130-F132 VanDerWaalsContact C-N 3.29Å; C130-F132 HydrophobicContact CB-CD1 4.13Å; C130-F132 HydrophobicContact CB-CD2 3.52Å; C130-F132 HydrophobicContact CB-CE1 3.88Å; C130-F132 HydrophobicContact CB-CE2 3.23Å; C130-F132 HydrophobicContact CB-CG 3.97Å; C130-F132 HydrophobicContact CB-CZ 3.43Å; C130-F132 VanDerWaalsContact CB-CZ 3.43Å; C130-F132 PolarHBondContact O-N 3Å; F132-N134 PolarHBondContact O-N 3.5Å; F132-A135 WeakPolarHBondContact O-CB 3.36Å; F132-A135 PolarHBondContact O-N 3.4Å; F132-L136 HydrophobicContact CB-CB 4.19Å; F132-L136 HydrophobicContact CB-CD1 4.47Å; F132-L136 HydrophobicContact CD2-CD1 4.02Å; F132-R139 HydrophobicContact CD1-CB 4.33Å; F132-R139 HydrophobicContact CD1-CG 3.74Å; F132-R139 HydrophobicContact CD2-CB 4.1Å; F132-R139 HydrophobicContact CD2-CG 4.36Å; F132-R139 HydrophobicContact CE1-CB 4.32Å; F132-R139 HydrophobicContact CE1-CG 3.92Å; F132-R139 HydrophobicContact CE2-CB 4.08Å; F132-R139 HydrophobicContact CG-CB 4.22Å; F132-R139 HydrophobicContact CG-CG 3.98Å; F132-R139 HydrophobicContact CZ-CB 4.2Å; F132-R139 HydrophobicContact CZ-CG 4.31Å
133G94.3Very high95.5Very high51 Ų5157.7 Ų57.753%0.52633%0.328SS..G310 helixtrans50.2-131.2-175.700000112.1D131 A135 L136D131-G133 VanDerWaalsContact C-N 3.28Å; G133-A135 PolarHBondContact O-N 3.08Å; G133-A135 VanDerWaalsContact O-N 3.12Å; G133-L136 WeakPolarHBondContact O-CB 3.36Å; G133-L136 PolarHBondContact O-N 3.43Å; G133-L136 VanDerWaalsContact O-N 3.15Å
134N95.3Very high95.5Very high177 Ų17757.7 Ų57.795%0.94733%0.328SS*.G310 helixtrans-63.5-18.3-178.8-62.9-21.2000114F132 L136F132-N134 PolarHBondContact O-N 3.5Å; N134-L136 VanDerWaalsContact C-N 3.31Å
135A96Very high95.6Very high29 Ų2953.7 Ų53.724%0.2432%0.316CS..G310 helixtrans-84.8-0.2179.200000113.5F132 G133 S137 E138 R139F132-A135 WeakPolarHBondContact O-CB 3.36Å; F132-A135 PolarHBondContact O-N 3.4Å; G133-A135 PolarHBondContact O-N 3.08Å; G133-A135 VanDerWaalsContact O-N 3.12Å; A135-S137 VanDerWaalsContact C-N 3.34Å; A135-S137 PolarHBondContact O-N 3.19Å; A135-E138 PolarHBondContact O-N 3.3Å; A135-E138 VanDerWaalsContact O-N 3.12Å; A135-R139 HydrophobicContact CB-CG 4.36Å; A135-R139 VanDerWaalsContact O-CG 3.32Å; A135-R139 WeakPolarHBondContact O-CG 3.33Å; A135-R139 PolarHBondContact O-N 3.31Å
136L97Very high95.7Very high69 Ų6956 Ų5636%0.36132%0.317SS..Hα-helixtrans-51-50-175.6174.460.8000112.9A127 F132 G133 N134 E138 R139 L140A127-L136 HydrophobicContact CB-CD1 3.51Å; F132-L136 HydrophobicContact CB-CB 4.19Å; F132-L136 HydrophobicContact CB-CD1 4.47Å; F132-L136 HydrophobicContact CD2-CD1 4.02Å; G133-L136 WeakPolarHBondContact O-CB 3.36Å; G133-L136 PolarHBondContact O-N 3.43Å; G133-L136 VanDerWaalsContact O-N 3.15Å; N134-L136 VanDerWaalsContact C-N 3.31Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 2.64Å; L136-R139 PolarHBondContact O-N 3.41Å; L136-L140 HydrophobicContact CD1-CD1 3.79Å; L136-L140 HydrophobicContact CD1-CG 4.11Å; L136-L140 HydrophobicContact CG-CD1 3.98Å; L136-L140 WeakPolarHBondContact O-CB 3.2Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 3.18Å
137S96.9Very high95.9Very high72 Ų7253.9 Ų53.950%0.50331%0.306SS..Hα-helixtrans-63.6-38.8-178.6-61.40000112.4A135 R141A135-S137 VanDerWaalsContact C-N 3.34Å; A135-S137 PolarHBondContact O-N 3.19Å; S137-R141 VanDerWaalsContact O-CB 3.3Å; S137-R141 WeakPolarHBondContact O-CB 3.44Å; S137-R141 PolarHBondContact O-N 3.33Å
138E97.2Very high96Very high106 Ų10653.7 Ų53.750%0.49531%0.305SS..Hα-helixtrans-67.7-44.6177.3-62.3179178.900111.1A135 L136 R141 D142A135-E138 PolarHBondContact O-N 3.3Å; A135-E138 VanDerWaalsContact O-N 3.12Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-E138 PolarHBondContact O-N 2.64Å; E138-R141 WeakPolarHBondContact O-CB 3.45Å; E138-R141 PolarHBondContact O-N 3.05Å; E138-D142 PolarHBondContact O-N 3.44Å
139R97.6Very high96.3Very high129 Ų12954.3 Ų54.349%0.48729%0.292SS..Hα-helixtrans-64.2-43.1179-65.7-65.2-179.4-179.2-1.4112.2F105 F132 A135 L136 R141 Q143F105-R139 HydrophobicContact CE1-CB 4.35Å; F105-R139 HydrophobicContact CZ-CB 4.39Å; F132-R139 HydrophobicContact CD1-CB 4.33Å; F132-R139 HydrophobicContact CD1-CG 3.74Å; F132-R139 HydrophobicContact CD2-CB 4.1Å; F132-R139 HydrophobicContact CD2-CG 4.36Å; F132-R139 HydrophobicContact CE1-CB 4.32Å; F132-R139 HydrophobicContact CE1-CG 3.92Å; F132-R139 HydrophobicContact CE2-CB 4.08Å; F132-R139 HydrophobicContact CG-CB 4.22Å; F132-R139 HydrophobicContact CG-CG 3.98Å; F132-R139 HydrophobicContact CZ-CB 4.2Å; F132-R139 HydrophobicContact CZ-CG 4.31Å; A135-R139 HydrophobicContact CB-CG 4.36Å; A135-R139 VanDerWaalsContact O-CG 3.32Å; A135-R139 WeakPolarHBondContact O-CG 3.33Å; A135-R139 PolarHBondContact O-N 3.31Å; L136-R139 PolarHBondContact O-N 3.41Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-Q143 VanDerWaalsContact O-CB 3.24Å; R139-Q143 WeakPolarHBondContact O-CB 3.38Å; R139-Q143 PolarHBondContact O-N 2.93Å
140L98.1Very high96.7Very high3 Ų352 Ų522%0.01628%0.283CS..Hα-helixtrans-60.4-46.2173.4-76.8168.7000110.9F105 L123 R124 A127 L136 D142 Q143 V144 L168F105-L140 HydrophobicContact CE2-CD2 3.85Å; F105-L140 HydrophobicContact CZ-CD2 4.27Å; L123-L140 HydrophobicContact CB-CD2 3.81Å; R124-L140 HydrophobicContact CG-CD1 4.07Å; R124-L140 HydrophobicContact CG-CD2 4.16Å; A127-L140 HydrophobicContact CB-CD2 4.1Å; A127-L140 HydrophobicContact CB-CG 4.46Å; L136-L140 HydrophobicContact CD1-CD1 3.79Å; L136-L140 HydrophobicContact CD1-CG 4.11Å; L136-L140 HydrophobicContact CG-CD1 3.98Å; L136-L140 WeakPolarHBondContact O-CB 3.2Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 3.18Å; L140-D142 PolarHBondContact O-N 2.69Å; L140-Q143 PolarHBondContact O-N 3.46Å; L140-V144 VanDerWaalsContact O-CG2 3.32Å; L140-V144 WeakPolarHBondContact O-CG2 3.33Å; L140-V144 PolarHBondContact O-N 2.95Å; L140-L168 HydrophobicContact CB-CD1 3.82Å; L140-L168 HydrophobicContact CB-CD2 3.75Å; L140-L168 HydrophobicContact CB-CG 4.44Å; L140-L168 HydrophobicContact CD1-CD2 3.85Å; L140-L168 HydrophobicContact CG-CD2 4.46Å
141R97.8Very high96.9Very high22 Ų2257.2 Ų57.28%0.08332%0.315CS..Hα-helixtrans-59.7-50.3-178.3177.6-15963.4-154.2-8.2110.8S137 E138 R139 Q143 V144 V145 N164 A166 L168 V171S137-R141 VanDerWaalsContact O-CB 3.3Å; S137-R141 WeakPolarHBondContact O-CB 3.44Å; S137-R141 PolarHBondContact O-N 3.33Å; E138-R141 WeakPolarHBondContact O-CB 3.45Å; E138-R141 PolarHBondContact O-N 3.05Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R141-Q143 VanDerWaalsContact C-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.5Å; R141-V144 PolarHBondContact O-N 3.47Å; R141-V145 PolarHBondContact O-N 3.28Å; R141-N164 PolarHBondContact NH1-O 3.41Å; R141-A166 WeakPolarHBondContact CD-O 3.17Å; R141-A166 PolarHBondContact NH1-O 3.37Å; R141-L168 HydrophobicContact CB-CB 4.27Å; R141-L168 HydrophobicContact CB-CD1 4.07Å; R141-V171 HydrophobicContact CG-CB 4.1Å; R141-V171 HydrophobicContact CG-CG2 3.62Å
142D97.6Very high97.1Very high64 Ų6457.1 Ų57.134%0.34231%0.314SS..Hα-helixtrans-63.3-42.6-178.7-62.1-6.4000110.1E138 L140 V144 V145 I146E138-D142 PolarHBondContact O-N 3.44Å; L140-D142 PolarHBondContact O-N 2.69Å; D142-V144 VanDerWaalsContact C-N 3.32Å; D142-V144 PolarHBondContact O-N 3.31Å; D142-V145 PolarHBondContact O-N 2.92Å; D142-I146 HydrophobicContact CB-CD1 4.48Å; D142-I146 WeakPolarHBondContact O-CD1 3.34Å; D142-I146 VanDerWaalsContact O-CG1 3.25Å; D142-I146 WeakPolarHBondContact O-CG1 3.5Å; D142-I146 PolarHBondContact O-N 3.03Å
143Q98.1Very high97.2Very high9 Ų956.6 Ų56.64%0.04231%0.311CS..Hα-helixtrans-67.6-29.4178.5-168.261.725.900112.9F105 S106 R108 L123 R139 L140 R141 G147F105-Q143 HydrophobicContact CD1-CG 4.36Å; F105-Q143 HydrophobicContact CE1-CB 3.63Å; F105-Q143 HydrophobicContact CE1-CG 3.77Å; F105-Q143 HydrophobicContact CE2-CB 4.4Å; F105-Q143 HydrophobicContact CE2-CG 4.34Å; F105-Q143 HydrophobicContact CZ-CB 3.48Å; F105-Q143 VanDerWaalsContact CZ-CB 3.48Å; F105-Q143 HydrophobicContact CZ-CG 3.76Å; F105-Q143 PolarHBondContact O-NE2 3.33Å; S106-Q143 PolarHBondContact O-NE2 3.38Å; R108-Q143 PolarHBondContact O-NE2 2.87Å; L123-Q143 HydrophobicContact CD1-CB 4.3Å; L123-Q143 HydrophobicContact CD1-CG 4.02Å; L123-Q143 HydrophobicContact CD2-CB 4.45Å; L123-Q143 HydrophobicContact CD2-CG 3.51Å; L123-Q143 HydrophobicContact CG-CG 4.43Å; R139-Q143 VanDerWaalsContact O-CB 3.24Å; R139-Q143 WeakPolarHBondContact O-CB 3.38Å; R139-Q143 PolarHBondContact O-N 2.93Å; L140-Q143 PolarHBondContact O-N 3.46Å; R141-Q143 VanDerWaalsContact C-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.5Å; Q143-G147 VanDerWaalsContact O-CA 3.29Å; Q143-G147 WeakPolarHBondContact O-CA 3.41Å; Q143-G147 PolarHBondContact O-N 3.44Å
144V98.2Very high97.3Very high1 Ų157.2 Ų57.21%0.00630%0.301CS..Hα-helixtrans-62.7-45.9171.7169.40000110.2V120 L123 L140 R141 D142 I148 L168 V171 A175V120-V144 HydrophobicContact CG2-CG2 3.95Å; L123-V144 HydrophobicContact CD1-CG2 3.91Å; L140-V144 VanDerWaalsContact O-CG2 3.32Å; L140-V144 WeakPolarHBondContact O-CG2 3.33Å; L140-V144 PolarHBondContact O-N 2.95Å; R141-V144 PolarHBondContact O-N 3.47Å; D142-V144 VanDerWaalsContact C-N 3.32Å; D142-V144 PolarHBondContact O-N 3.31Å; V144-I148 WeakPolarHBondContact O-CB 3.42Å; V144-I148 PolarHBondContact O-N 3.08Å; V144-I148 VanDerWaalsContact O-N 3.09Å; V144-L168 HydrophobicContact CG2-CD1 4.43Å; V144-V171 HydrophobicContact CB-CG1 4.26Å; V144-V171 HydrophobicContact CG1-CG1 3.84Å; V144-A175 HydrophobicContact CG1-CB 4.47Å
145V97.9Very high97.5Very high22 Ų2255 Ų5513%0.13329%0.285CS..Hα-helixtrans-68.1-44179.1-177.90000111.8R141 D142 Q154 L157 L158 V171R141-V145 PolarHBondContact O-N 3.28Å; D142-V145 PolarHBondContact O-N 2.92Å; V145-Q154 PolarHBondContact O-NE2 3.31Å; V145-L157 HydrophobicContact CG1-CB 4.42Å; V145-L158 HydrophobicContact CG1-CD2 3.86Å; V145-L158 HydrophobicContact CG1-CG 4.25Å; V145-V171 HydrophobicContact CG2-CG1 3.63Å
146I97.4Very high97.6Very high88 Ų8855.3 Ų55.345%0.45128%0.281SS..Hα-helixtrans-66-47.5179-66.1164000110.3F109 D142 Q154F109-I146 HydrophobicContact CE1-CG2 4.26Å; F109-I146 WeakPolarHBondContact CE1-O 3.33Å; F109-I146 HydrophobicContact CZ-CG2 4.38Å; D142-I146 HydrophobicContact CB-CD1 4.48Å; D142-I146 WeakPolarHBondContact O-CD1 3.34Å; D142-I146 VanDerWaalsContact O-CG1 3.25Å; D142-I146 WeakPolarHBondContact O-CG1 3.5Å; D142-I146 PolarHBondContact O-N 3.03Å; I146-Q154 PolarHBondContact O-NE2 2.9Å
147G97.9Very high97.6Very high0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-88.2-2.3-16900000115.5F109 R110 F119 Q143 N149F109-G147 CarbonylContact C-O 3.53Å; F109-G147 WeakPolarHBondContact CA-O 3.26Å; R110-G147 PolarHBondContact N-O 3.31Å; F119-G147 WeakPolarHBondContact CZ-O 3.26Å; Q143-G147 VanDerWaalsContact O-CA 3.29Å; Q143-G147 WeakPolarHBondContact O-CA 3.41Å; Q143-G147 PolarHBondContact O-N 3.44Å; G147-N149 PolarHBondContact O-N 3.33Å
148I97.9Very high97.6Very high0 Ų053.3 Ų53.30%027%0.265CS..THydrogen-bonded Turntrans-58.5-21.6-174.3-162.660.9000114.3R110 V116 V144 N150 W153 Q154 L157 A175R110-I148 PolarHBondContact NE-O 2.93Å; V116-I148 HydrophobicContact CG2-CD1 4.15Å; V144-I148 WeakPolarHBondContact O-CB 3.42Å; V144-I148 PolarHBondContact O-N 3.08Å; V144-I148 VanDerWaalsContact O-N 3.09Å; I148-N150 VanDerWaalsContact C-N 3.27Å; I148-N150 PolarHBondContact O-N 3.29Å; I148-W153 HydrophobicContact CD1-CE3 4.01Å; I148-W153 HydrophobicContact CD1-CZ3 4.36Å; I148-W153 HydrophobicContact CG1-CB 4.33Å; I148-W153 HydrophobicContact CG1-CE3 3.77Å; I148-Q154 HydrophobicContact CG2-CB 3.81Å; I148-Q154 HydrophobicContact CG2-CG 4.47Å; I148-L157 HydrophobicContact CB-CD1 4.49Å; I148-L157 HydrophobicContact CG1-CD1 4.3Å; I148-L157 HydrophobicContact CG2-CD1 4.44Å; I148-A175 HydrophobicContact CD1-CB 4.09Å
149N96.8Very high97.7Very high81 Ų8156.5 Ų56.543%0.43327%0.272SS..  trans5339.3173.9-163.220.5000114.3F109 R110 G147F109-N149 HydrophobicContact CB-CB 4.34Å; R110-N149 HydrophobicContact CB-CB 4.32Å; R110-N149 WeakPolarHBondContact O-CB 3.25Å; R110-N149 PolarHBondContact O-ND2 2.97Å; G147-N149 PolarHBondContact O-N 3.33Å
150N97.2Very high97.7Very high27 Ų2753.9 Ų53.914%0.14427%0.266CS..  trans-145.9114.7169.1-179.9-35.4000107.3I148 N152 W153 Q154I148-N150 VanDerWaalsContact C-N 3.27Å; I148-N150 PolarHBondContact O-N 3.29Å; N150-N152 VanDerWaalsContact C-N 3.32Å; N150-N152 PolarHBondContact O-N 2.7Å; N150-N152 PolarHBondContact OD1-N 3.34Å; N150-N152 VanDerWaalsContact OD1-N 3.09Å; N150-W153 HydrophobicContact CB-CB 3.98Å; N150-W153 HydrophobicContact CB-CD2 3.92Å; N150-W153 HydrophobicContact CB-CE3 4.18Å; N150-W153 HydrophobicContact CB-CG 3.85Å; N150-W153 PolarHBondContact ND2-NE1 3.34Å; N150-W153 PolarHBondContact O-N 2.73Å; N150-W153 PolarHBondContact OD1-N 3.05Å; N150-Q154 WeakPolarHBondContact O-CB 3.49Å; N150-Q154 PolarHBondContact O-N 3.45Å
151V96.8Very high97.6Very high108 Ų10855.9 Ų55.966%0.65527%0.274SS*.Hα-helixtrans-61.9-39.2-172.91790000111.8Q154 Q155V151-Q154 PolarHBondContact O-N 2.62Å; V151-Q155 WeakPolarHBondContact O-CB 3.5Å; V151-Q155 PolarHBondContact O-N 3.41Å
152N97Very high97.5Very high117 Ų11760.3 Ų60.363%0.62631%0.306SS*.Hα-helixtrans-67-42.7179.1-65.9-32.9000111.1N150 Q155 E156N150-N152 VanDerWaalsContact C-N 3.32Å; N150-N152 PolarHBondContact O-N 2.7Å; N150-N152 PolarHBondContact OD1-N 3.34Å; N150-N152 VanDerWaalsContact OD1-N 3.09Å; N152-Q155 PolarHBondContact O-N 2.99Å; N152-E156 WeakPolarHBondContact O-CB 3.43Å; N152-E156 PolarHBondContact O-N 3.11Å
153W97.7Very high97.4Very high13 Ų1360.5 Ų60.55%0.04931%0.312CS..Hα-helixtrans-68.2-41.7177.3-645.5000111.4V116 I148 N150 Q155 E156 L157 L178 E179 E182V116-W153 HydrophobicContact CG2-CZ3 3.8Å; I148-W153 HydrophobicContact CD1-CE3 4.01Å; I148-W153 HydrophobicContact CD1-CZ3 4.36Å; I148-W153 HydrophobicContact CG1-CB 4.33Å; I148-W153 HydrophobicContact CG1-CE3 3.77Å; N150-W153 HydrophobicContact CB-CB 3.98Å; N150-W153 HydrophobicContact CB-CD2 3.92Å; N150-W153 HydrophobicContact CB-CE3 4.18Å; N150-W153 HydrophobicContact CB-CG 3.85Å; N150-W153 PolarHBondContact ND2-NE1 3.34Å; N150-W153 PolarHBondContact O-N 2.73Å; N150-W153 PolarHBondContact OD1-N 3.05Å; W153-Q155 PolarHBondContact O-N 3.38Å; W153-E156 PolarHBondContact O-N 3.23Å; W153-L157 WeakPolarHBondContact O-CB 2.92Å; W153-L157 VanDerWaalsContact O-CG 3.27Å; W153-L157 WeakPolarHBondContact O-CG 3.35Å; W153-L157 PolarHBondContact O-N 3.28Å; W153-L178 HydrophobicContact CB-CB 4.5Å; W153-L178 HydrophobicContact CB-CD1 4Å; W153-L178 HydrophobicContact CD2-CB 3.96Å; W153-L178 HydrophobicContact CG-CB 3.93Å; W153-L178 HydrophobicContact CG-CD1 4.31Å; W153-E179 HydrophobicContact CH2-CB 3.51Å; W153-E179 HydrophobicContact CH2-CG 4Å; W153-E179 VanDerWaalsContact CZ2-CA 3.41Å; W153-E179 HydrophobicContact CZ2-CB 4.1Å; W153-E179 HydrophobicContact CZ3-CB 4.05Å; W153-E182 HydrophobicContact CZ2-CB 3.93Å; W153-E182 HydrophobicContact CZ2-CG 4.46Å; W153-E182 WeakPolarHBondContact CZ2-OE2 3.47Å
154Q97.9Very high97.1Very high65 Ų6565.9 Ų65.930%0.30434%0.341SS..Hα-helixtrans-61-45.2176.4-174.7171.764.400111.2V145 I146 I148 N150 V151 E156 L157 L158V145-Q154 PolarHBondContact O-NE2 3.31Å; I146-Q154 PolarHBondContact O-NE2 2.9Å; I148-Q154 HydrophobicContact CG2-CB 3.81Å; I148-Q154 HydrophobicContact CG2-CG 4.47Å; N150-Q154 WeakPolarHBondContact O-CB 3.49Å; N150-Q154 PolarHBondContact O-N 3.45Å; V151-Q154 PolarHBondContact O-N 2.62Å; Q154-E156 VanDerWaalsContact C-N 3.3Å; Q154-E156 PolarHBondContact O-N 2.97Å; Q154-L157 PolarHBondContact O-N 3.48Å; Q154-L158 HydrophobicContact CG-CD1 4.05Å; Q154-L158 HydrophobicContact CG-CG 4.44Å; Q154-L158 WeakPolarHBondContact O-CB 3.46Å; Q154-L158 VanDerWaalsContact O-CG 3.24Å; Q154-L158 WeakPolarHBondContact O-CG 3.43Å; Q154-L158 PolarHBondContact O-N 3.48Å
155Q98Very high97Very high130 Ų13069.8 Ų69.861%0.60737%0.373SS*.Hα-helixtrans-58.2-43.3174.3-176.6-177.1-49.700111.6V151 N152 W153 L158 R159V151-Q155 WeakPolarHBondContact O-CB 3.5Å; V151-Q155 PolarHBondContact O-N 3.41Å; N152-Q155 PolarHBondContact O-N 2.99Å; W153-Q155 PolarHBondContact O-N 3.38Å; Q155-L158 PolarHBondContact O-N 3.27Å; Q155-R159 WeakPolarHBondContact O-CB 3.37Å; Q155-R159 PolarHBondContact O-N 3.48Å
156E97.9Very high97Very high36 Ų3669.1 Ų69.117%0.16837%0.37CS..Hα-helixtrans-66.4-42.6178.7-173.756.3-145.100112.6N152 W153 Q154 R159 Q160 L178N152-E156 WeakPolarHBondContact O-CB 3.43Å; N152-E156 PolarHBondContact O-N 3.11Å; W153-E156 PolarHBondContact O-N 3.23Å; Q154-E156 VanDerWaalsContact C-N 3.3Å; Q154-E156 PolarHBondContact O-N 2.97Å; E156-R159 VanDerWaalsContact CD-CZ 3.49Å; E156-R159 WeakPolarHBondContact O-CB 3.25Å; E156-R159 PolarHBondContact O-N 2.87Å; E156-R159 IonicContact OE1-CZ 3.48Å; E156-R159 VanDerWaalsContact OE1-CZ 3.3Å; E156-R159 IonicContact OE1-NE 2.74Å; E156-R159 PolarHBondContact OE1-NE 3.36Å; E156-R159 IonicContact OE1-NH2 2.9Å; E156-R159 PolarHBondContact OE1-NH2 3.08Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 3.79Å; E156-R159 PolarHBondContact OE2-NE 2.75Å; E156-R159 IonicContact OE2-NH1 3.95Å; E156-R159 PolarHBondContact OE2-NH1 2.86Å; E156-R159 IonicContact OE2-NH2 2.78Å; E156-R159 PolarHBondContact OE2-NH2 2.7Å; E156-Q160 WeakPolarHBondContact O-CG 3.39Å; E156-Q160 PolarHBondContact O-N 3.29Å; E156-Q160 PolarHBondContact OE1-NE2 2.79Å; E156-L178 HydrophobicContact CB-CD1 4.03Å; E156-L178 HydrophobicContact CB-CD2 4.01Å; E156-L178 HydrophobicContact CG-CD1 4.03Å; E156-L178 HydrophobicContact CG-CD2 3.56Å; E156-L178 HydrophobicContact CG-CG 4.35Å
157L98.2Very high97Very high1 Ų168.3 Ų68.31%0.00537%0.37CS..Hα-helixtrans-62.7-44.8175.5-70.9171.4000111.4V145 I148 W153 Q154 R159 Q160 F161 A174 A175 L178V145-L157 HydrophobicContact CG1-CB 4.42Å; I148-L157 HydrophobicContact CB-CD1 4.49Å; I148-L157 HydrophobicContact CG1-CD1 4.3Å; I148-L157 HydrophobicContact CG2-CD1 4.44Å; W153-L157 WeakPolarHBondContact O-CB 2.92Å; W153-L157 VanDerWaalsContact O-CG 3.27Å; W153-L157 WeakPolarHBondContact O-CG 3.35Å; W153-L157 PolarHBondContact O-N 3.28Å; Q154-L157 PolarHBondContact O-N 3.48Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.1Å; L157-Q160 PolarHBondContact O-N 3.15Å; L157-F161 HydrophobicContact CD2-CD2 4.43Å; L157-F161 HydrophobicContact CD2-CE2 4.11Å; L157-F161 WeakPolarHBondContact O-CD2 3.44Å; L157-F161 PolarHBondContact O-N 2.94Å; L157-A174 HydrophobicContact CD2-CB 3.68Å; L157-A175 HydrophobicContact CD1-CB 4.38Å; L157-A175 HydrophobicContact CD2-CB 4.44Å; L157-L178 HydrophobicContact CD2-CD1 4.06Å; L157-L178 HydrophobicContact CG-CD1 3.91Å
158L97.6Very high97Very high98 Ų9869.1 Ų69.151%0.51337%0.374SS..Hα-helixtrans-64.5-32.8176.3-69.4172.7000112.2V145 Q154 Q155 F161V145-L158 HydrophobicContact CG1-CD2 3.86Å; V145-L158 HydrophobicContact CG1-CG 4.25Å; Q154-L158 HydrophobicContact CG-CD1 4.05Å; Q154-L158 HydrophobicContact CG-CG 4.44Å; Q154-L158 WeakPolarHBondContact O-CB 3.46Å; Q154-L158 VanDerWaalsContact O-CG 3.24Å; Q154-L158 WeakPolarHBondContact O-CG 3.43Å; Q154-L158 PolarHBondContact O-N 3.48Å; Q155-L158 PolarHBondContact O-N 3.27Å; L158-F161 CarbonylContact O-C 3.19Å
159R97.9Very high97Very high172 Ų17275 Ų7565%0.64940%0.401SS*.Hα-helixtrans-68.6-41.9173.7-174.3179.775.1179.98.2112Q155 E156 L157Q155-R159 WeakPolarHBondContact O-CB 3.37Å; Q155-R159 PolarHBondContact O-N 3.48Å; E156-R159 VanDerWaalsContact CD-CZ 3.49Å; E156-R159 WeakPolarHBondContact O-CB 3.25Å; E156-R159 PolarHBondContact O-N 2.87Å; E156-R159 IonicContact OE1-CZ 3.48Å; E156-R159 VanDerWaalsContact OE1-CZ 3.3Å; E156-R159 IonicContact OE1-NE 2.74Å; E156-R159 PolarHBondContact OE1-NE 3.36Å; E156-R159 IonicContact OE1-NH2 2.9Å; E156-R159 PolarHBondContact OE1-NH2 3.08Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 3.79Å; E156-R159 PolarHBondContact OE2-NE 2.75Å; E156-R159 IonicContact OE2-NH1 3.95Å; E156-R159 PolarHBondContact OE2-NH1 2.86Å; E156-R159 IonicContact OE2-NH2 2.78Å; E156-R159 PolarHBondContact OE2-NH2 2.7Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.1Å
160Q97.3Very high97Very high75 Ų7575.4 Ų75.435%0.3540%0.401SS..Hα-helixtrans-73.5-34179.9-71.5-178.632.300112.5E156 L157 P162E156-Q160 WeakPolarHBondContact O-CG 3.39Å; E156-Q160 PolarHBondContact O-N 3.29Å; E156-Q160 PolarHBondContact OE1-NE2 2.79Å; L157-Q160 PolarHBondContact O-N 3.15Å; Q160-P162 WeakPolarHBondContact O-CD 3.3Å
161F97.3Very high97.1Very high44 Ų4474.2 Ų74.219%0.19339%0.394CS..  trans-125.374.6-175.3-49.9-63.3000111.1L157 L158 S163 A166 Q170 V171 A174L157-F161 HydrophobicContact CD2-CD2 4.43Å; L157-F161 HydrophobicContact CD2-CE2 4.11Å; L157-F161 WeakPolarHBondContact O-CD2 3.44Å; L157-F161 PolarHBondContact O-N 2.94Å; L158-F161 CarbonylContact O-C 3.19Å; F161-S163 PolarHBondContact O-N 3Å; F161-A166 HydrophobicContact CB-CB 4.27Å; F161-A166 HydrophobicContact CD1-CB 3.41Å; F161-A166 VanDerWaalsContact CD1-CB 3.41Å; F161-A166 HydrophobicContact CE1-CB 3.87Å; F161-A166 HydrophobicContact CG-CB 3.91Å; F161-Q170 HydrophobicContact CE1-CB 4.3Å; F161-Q170 HydrophobicContact CZ-CB 4.33Å; F161-V171 HydrophobicContact CD2-CG2 3.9Å; F161-V171 HydrophobicContact CE2-CB 4.45Å; F161-V171 HydrophobicContact CE2-CG2 3.94Å; F161-V171 HydrophobicContact CG-CG2 4.31Å; F161-V171 HydrophobicContact CZ-CG2 4.39Å; F161-A174 HydrophobicContact CE2-CB 3.57Å; F161-A174 HydrophobicContact CZ-CB 3.81Å
162P95.1Very high97.2Very high115 Ų11570.8 Ų70.875%0.74737%0.371SS*.SBendtrans-72.4-11.2-178.830-36.5000113.8Q160Q160-P162 WeakPolarHBondContact O-CD 3.3Å
163S94.8Very high97.2Very high69 Ų6969.9 Ų69.948%0.48336%0.363SS..SBendtrans-130.5170.3176.872.50000111.1F161 A165F161-S163 PolarHBondContact O-N 3Å; S163-A165 PolarHBondContact O-N 3.18Å; S163-A165 WeakPolarHBondContact OG-CB 3.28Å; S163-A165 PolarHBondContact OG-N 3.32Å
164N92.8Very high97.2Very high122 Ų12269.2 Ų69.265%0.65236%0.361SS*.THydrogen-bonded Turntrans-79.519.2175.766.7-17.7000113.8R141 A166R141-N164 PolarHBondContact NH1-O 3.41Å; N164-A166 VanDerWaalsContact C-N 3.34Å
165A96.3Very high97.3Very high82 Ų8266.1 Ų66.168%0.67835%0.346SS*.THydrogen-bonded Turntrans-76.4-21.4179.900000113.3S163S163-A165 PolarHBondContact O-N 3.18Å; S163-A165 WeakPolarHBondContact OG-CB 3.28Å; S163-A165 PolarHBondContact OG-N 3.32Å
166A96.9Very high97.3Very high8 Ų862.3 Ų62.37%0.06633%0.334CS..SBendtrans-69.4144.4-179.200000111.7R141 F161 N164 Q170 V171R141-A166 WeakPolarHBondContact CD-O 3.17Å; R141-A166 PolarHBondContact NH1-O 3.37Å; F161-A166 HydrophobicContact CB-CB 4.27Å; F161-A166 HydrophobicContact CD1-CB 3.41Å; F161-A166 VanDerWaalsContact CD1-CB 3.41Å; F161-A166 HydrophobicContact CE1-CB 3.87Å; F161-A166 HydrophobicContact CG-CB 3.91Å; N164-A166 VanDerWaalsContact C-N 3.34Å; A166-Q170 VanDerWaalsContact CA-OE1 3.28Å; A166-V171 HydrophobicContact CB-CG2 3.99Å
167T97.8Very high97.3Very high72 Ų7267.8 Ų67.844%0.44235%0.353SS..  trans-78.4160.2171.5710000110.7Q169 Q170 V171T167-Q169 VanDerWaalsContact C-N 3.25Å; T167-Q169 PolarHBondContact O-N 2.96Å; T167-Q170 PolarHBondContact O-N 3.25Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.42Å; T167-Q170 PolarHBondContact OG1-N 2.89Å; T167-V171 PolarHBondContact O-N 2.95Å
168L97.6Very high97.3Very high16 Ų1669.2 Ų69.28%0.08436%0.36CS..Hα-helixtrans-53-46.1172.1174.458.9000111.5R124 L140 R141 V144 Q170 V171 E172R124-L168 VanDerWaalsContact NH2-CD2 3.34Å; L140-L168 HydrophobicContact CB-CD1 3.82Å; L140-L168 HydrophobicContact CB-CD2 3.75Å; L140-L168 HydrophobicContact CB-CG 4.44Å; L140-L168 HydrophobicContact CD1-CD2 3.85Å; L140-L168 HydrophobicContact CG-CD2 4.46Å; R141-L168 HydrophobicContact CB-CB 4.27Å; R141-L168 HydrophobicContact CB-CD1 4.07Å; V144-L168 HydrophobicContact CG2-CD1 4.43Å; L168-Q170 PolarHBondContact O-N 3Å; L168-V171 PolarHBondContact O-N 2.8Å; L168-E172 HydrophobicContact CD1-CG 3.92Å; L168-E172 VanDerWaalsContact CD1-OE1 3.24Å; L168-E172 WeakPolarHBondContact CD1-OE1 3.46Å; L168-E172 HydrophobicContact CG-CG 4.28Å; L168-E172 VanDerWaalsContact CG-OE1 3.29Å; L168-E172 WeakPolarHBondContact CG-OE1 3.45Å; L168-E172 WeakPolarHBondContact O-CG 3.49Å; L168-E172 PolarHBondContact O-N 3.08Å
169Q97.7Very high97.2Very high123 Ų12366.5 Ų66.558%0.57535%0.345SS*.Hα-helixtrans-58.5-44.8179.8-177-178.2-7.700112.2T167 V171 E172 E173T167-Q169 VanDerWaalsContact C-N 3.25Å; T167-Q169 PolarHBondContact O-N 2.96Å; Q169-V171 VanDerWaalsContact C-N 3.31Å; Q169-V171 PolarHBondContact O-N 2.95Å; Q169-E172 PolarHBondContact O-N 3.46Å; Q169-E173 HydrophobicContact CG-CG 4.41Å; Q169-E173 VanDerWaalsContact CG-OE1 3.32Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 2.87Å; Q169-E173 WeakPolarHBondContact O-CB 3.25Å; Q169-E173 VanDerWaalsContact O-CG 3.32Å; Q169-E173 WeakPolarHBondContact O-CG 3.48Å; Q169-E173 PolarHBondContact O-N 3.4Å
170Q98.3Very high97.2Very high91 Ų9162.9 Ų62.943%0.42534%0.338SS..Hα-helixtrans-61.5-39.7179-73.6169.9-26.700112.2F161 A166 T167 L168 A174F161-Q170 HydrophobicContact CE1-CB 4.3Å; F161-Q170 HydrophobicContact CZ-CB 4.33Å; A166-Q170 VanDerWaalsContact CA-OE1 3.28Å; T167-Q170 PolarHBondContact O-N 3.25Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.42Å; T167-Q170 PolarHBondContact OG1-N 2.89Å; L168-Q170 PolarHBondContact O-N 3Å; Q170-A174 WeakPolarHBondContact O-CB 3.48Å; Q170-A174 PolarHBondContact O-N 3.02Å
171V98.3Very high97.2Very high2 Ų261.7 Ų61.71%0.01234%0.341CS..Hα-helixtrans-71.2-42.2178.5175.80000111.2R141 V144 V145 F161 A166 T167 L168 Q169 A174 A175R141-V171 HydrophobicContact CG-CB 4.1Å; R141-V171 HydrophobicContact CG-CG2 3.62Å; V144-V171 HydrophobicContact CB-CG1 4.26Å; V144-V171 HydrophobicContact CG1-CG1 3.84Å; V145-V171 HydrophobicContact CG2-CG1 3.63Å; F161-V171 HydrophobicContact CD2-CG2 3.9Å; F161-V171 HydrophobicContact CE2-CB 4.45Å; F161-V171 HydrophobicContact CE2-CG2 3.94Å; F161-V171 HydrophobicContact CG-CG2 4.31Å; F161-V171 HydrophobicContact CZ-CG2 4.39Å; A166-V171 HydrophobicContact CB-CG2 3.99Å; T167-V171 PolarHBondContact O-N 2.95Å; L168-V171 PolarHBondContact O-N 2.8Å; Q169-V171 VanDerWaalsContact C-N 3.31Å; Q169-V171 PolarHBondContact O-N 2.95Å; V171-A174 PolarHBondContact O-N 2.78Å; V171-A175 WeakPolarHBondContact O-CB 3.44Å; V171-A175 PolarHBondContact O-N 3.08Å
172E98Very high97Very high36 Ų3663.1 Ų63.117%0.16835%0.348CS..Hα-helixtrans-61.4-43.9175.6-72178.3179.500112.1V120 R124 L168 Q169 A175 S176V120-E172 HydrophobicContact CG1-CG 4.32Å; V120-E172 WeakPolarHBondContact CG1-OE1 3.36Å; V120-E172 HydrophobicContact CG2-CG 4.01Å; R124-E172 IonicContact CZ-OE1 3.88Å; R124-E172 IonicContact NE-OE1 2.96Å; R124-E172 IonicContact NH2-OE1 3.39Å; R124-E172 PolarHBondContact NH2-OE1 2.95Å; R124-E172 IonicContact NH2-OE2 3.77Å; R124-E172 PolarHBondContact NH2-OE2 3.47Å; L168-E172 HydrophobicContact CD1-CG 3.92Å; L168-E172 VanDerWaalsContact CD1-OE1 3.24Å; L168-E172 WeakPolarHBondContact CD1-OE1 3.46Å; L168-E172 HydrophobicContact CG-CG 4.28Å; L168-E172 VanDerWaalsContact CG-OE1 3.29Å; L168-E172 WeakPolarHBondContact CG-OE1 3.45Å; L168-E172 WeakPolarHBondContact O-CG 3.49Å; L168-E172 PolarHBondContact O-N 3.08Å; Q169-E172 PolarHBondContact O-N 3.46Å; E172-A175 PolarHBondContact O-N 3.28Å; E172-S176 WeakPolarHBondContact O-CB 3.28Å; E172-S176 PolarHBondContact O-N 3.05Å; E172-S176 PolarHBondContact O-OG 3.35Å
173E98.1Very high96.9Very high97 Ų9760.6 Ų60.645%0.45333%0.332SS..Hα-helixtrans-63.9-41.6175.5-74.3174.1-170.700111.8Q169 S176 R177Q169-E173 HydrophobicContact CG-CG 4.41Å; Q169-E173 VanDerWaalsContact CG-OE1 3.32Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.43Å; Q169-E173 PolarHBondContact NE2-OE1 2.87Å; Q169-E173 WeakPolarHBondContact O-CB 3.25Å; Q169-E173 VanDerWaalsContact O-CG 3.32Å; Q169-E173 WeakPolarHBondContact O-CG 3.48Å; Q169-E173 PolarHBondContact O-N 3.4Å; E173-S176 PolarHBondContact O-N 3.04Å; E173-R177 WeakPolarHBondContact O-CG 3.34Å; E173-R177 PolarHBondContact O-N 2.91Å
174A98.3Very high96.9Very high0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-64.3-45175.900000112.3L157 F161 Q170 V171 S176 R177 L178L157-A174 HydrophobicContact CD2-CB 3.68Å; F161-A174 HydrophobicContact CE2-CB 3.57Å; F161-A174 HydrophobicContact CZ-CB 3.81Å; Q170-A174 WeakPolarHBondContact O-CB 3.48Å; Q170-A174 PolarHBondContact O-N 3.02Å; V171-A174 PolarHBondContact O-N 2.78Å; A174-S176 VanDerWaalsContact C-N 3.34Å; A174-S176 PolarHBondContact O-N 3.24Å; A174-R177 PolarHBondContact O-N 3.39Å; A174-L178 WeakPolarHBondContact O-CG 3.3Å; A174-L178 PolarHBondContact O-N 3.43Å; A174-L178 VanDerWaalsContact O-N 3.08Å
175A98.3Very high96.9Very high0 Ų060.8 Ų60.80%032%0.324CS..Hα-helixtrans-61.6-42.5175.600000111.6V116 V144 I148 L157 V171 E172 R177 L178 E179V116-A175 HydrophobicContact CG1-CB 3.74Å; V116-A175 HydrophobicContact CG2-CB 4.33Å; V144-A175 HydrophobicContact CG1-CB 4.47Å; I148-A175 HydrophobicContact CD1-CB 4.09Å; L157-A175 HydrophobicContact CD1-CB 4.38Å; L157-A175 HydrophobicContact CD2-CB 4.44Å; V171-A175 WeakPolarHBondContact O-CB 3.44Å; V171-A175 PolarHBondContact O-N 3.08Å; E172-A175 PolarHBondContact O-N 3.28Å; A175-R177 VanDerWaalsContact C-N 3.34Å; A175-R177 PolarHBondContact O-N 3.39Å; A175-L178 WeakPolarHBondContact O-CB 3.24Å; A175-L178 PolarHBondContact O-N 3.05Å; A175-E179 PolarHBondContact O-N 3.28Å
176S98Very high96.7Very high49 Ų4962 Ų6234%0.34332%0.316SS..Hα-helixtrans-65.6-35.5177.2-560000112.4E172 E173 A174 L178 E179 L180E172-S176 WeakPolarHBondContact O-CB 3.28Å; E172-S176 PolarHBondContact O-N 3.05Å; E172-S176 PolarHBondContact O-OG 3.35Å; E173-S176 PolarHBondContact O-N 3.04Å; A174-S176 VanDerWaalsContact C-N 3.34Å; A174-S176 PolarHBondContact O-N 3.24Å; S176-L178 VanDerWaalsContact C-N 3.33Å; S176-E179 PolarHBondContact O-N 3.43Å; S176-L180 WeakPolarHBondContact O-CB 3.43Å; S176-L180 PolarHBondContact O-N 3.41Å
177R98.2Very high96.4Very high152 Ų15270.4 Ų70.457%0.57435%0.346SS*.Hα-helixtrans-65.5-36.1172.9-75.9-176.2-63.4176.14.1112.4E173 A174 A175 L180 A181E173-R177 WeakPolarHBondContact O-CG 3.34Å; E173-R177 PolarHBondContact O-N 2.91Å; A174-R177 PolarHBondContact O-N 3.39Å; A175-R177 VanDerWaalsContact C-N 3.34Å; A175-R177 PolarHBondContact O-N 3.39Å; R177-L180 PolarHBondContact O-N 2.98Å; R177-A181 WeakPolarHBondContact O-CB 3.25Å; R177-A181 PolarHBondContact O-N 2.96Å
178L97.9Very high96.1Very high30 Ų3072.6 Ų72.616%0.15736%0.355CS..Hα-helixtrans-67.8-42.3176.2-70.2164.7000111.9W153 E156 L157 A174 A175 S176 A181 E182W153-L178 HydrophobicContact CB-CB 4.5Å; W153-L178 HydrophobicContact CB-CD1 4Å; W153-L178 HydrophobicContact CD2-CB 3.96Å; W153-L178 HydrophobicContact CG-CB 3.93Å; W153-L178 HydrophobicContact CG-CD1 4.31Å; E156-L178 HydrophobicContact CB-CD1 4.03Å; E156-L178 HydrophobicContact CB-CD2 4.01Å; E156-L178 HydrophobicContact CG-CD1 4.03Å; E156-L178 HydrophobicContact CG-CD2 3.56Å; E156-L178 HydrophobicContact CG-CG 4.35Å; L157-L178 HydrophobicContact CD2-CD1 4.06Å; L157-L178 HydrophobicContact CG-CD1 3.91Å; A174-L178 WeakPolarHBondContact O-CG 3.3Å; A174-L178 PolarHBondContact O-N 3.43Å; A174-L178 VanDerWaalsContact O-N 3.08Å; A175-L178 WeakPolarHBondContact O-CB 3.24Å; A175-L178 PolarHBondContact O-N 3.05Å; S176-L178 VanDerWaalsContact C-N 3.33Å; L178-A181 PolarHBondContact O-N 2.91Å; L178-E182 PolarHBondContact O-N 3.39Å
179E97.3Very high95.7Very high42 Ų4276.7 Ų76.720%0.19637%0.373CS..Hα-helixtrans-57.3-50.2170.8177.8174.4-107.100111.8S115 V116 W153 A175 S176 A181 E182 C183S115-E179 WeakPolarHBondContact CA-OE1 3.11Å; S115-E179 WeakPolarHBondContact CB-OE1 3.31Å; V116-E179 HydrophobicContact CG2-CB 3.92Å; V116-E179 HydrophobicContact CG2-CG 4.47Å; V116-E179 PolarHBondContact N-OE1 3.37Å; W153-E179 HydrophobicContact CH2-CB 3.51Å; W153-E179 HydrophobicContact CH2-CG 4Å; W153-E179 VanDerWaalsContact CZ2-CA 3.41Å; W153-E179 HydrophobicContact CZ2-CB 4.1Å; W153-E179 HydrophobicContact CZ3-CB 4.05Å; A175-E179 PolarHBondContact O-N 3.28Å; S176-E179 PolarHBondContact O-N 3.43Å; E179-A181 VanDerWaalsContact C-N 3.31Å; E179-A181 PolarHBondContact O-N 2.77Å; E179-E182 PolarHBondContact O-N 2.91Å; E179-C183 PolarHBondContact O-N 2.88Å
180L96.8Very high95Very high96 Ų9674.7 Ų74.750%0.50337%0.369SS..Hα-helixtrans-59.2-42.5178-179.761.3000112S176 R177 C183 Q184S176-L180 WeakPolarHBondContact O-CB 3.43Å; S176-L180 PolarHBondContact O-N 3.41Å; R177-L180 PolarHBondContact O-N 2.98Å; L180-C183 PolarHBondContact O-N 2.99Å; L180-Q184 HydrophobicContact CD1-CG 4.25Å; L180-Q184 HydrophobicContact CG-CG 4.42Å; L180-Q184 WeakPolarHBondContact O-CB 2.82Å; L180-Q184 WeakPolarHBondContact O-CG 3.47Å; L180-Q184 PolarHBondContact O-N 3.07Å
181A96.8Very high94.2Very high50 Ų5074.1 Ų74.141%0.41338%0.375SS..Hα-helixtrans-64.2-39.2178.400000112.4R177 L178 E179 Q184 L185R177-A181 WeakPolarHBondContact O-CB 3.25Å; R177-A181 PolarHBondContact O-N 2.96Å; L178-A181 PolarHBondContact O-N 2.91Å; E179-A181 VanDerWaalsContact C-N 3.31Å; E179-A181 PolarHBondContact O-N 2.77Å; A181-Q184 PolarHBondContact O-N 3.14Å; A181-L185 WeakPolarHBondContact O-CB 3.41Å; A181-L185 PolarHBondContact O-N 3.45Å
182E94.8Very high93.1Very high74 Ų7476.6 Ų76.635%0.34640%0.395SS..Hα-helixtrans-63.8-49.7174.9-173.3164.9-118.300110.9W153 L178 E179 Q184 L185 E186W153-E182 HydrophobicContact CZ2-CB 3.93Å; W153-E182 HydrophobicContact CZ2-CG 4.46Å; W153-E182 WeakPolarHBondContact CZ2-OE2 3.47Å; L178-E182 PolarHBondContact O-N 3.39Å; E179-E182 PolarHBondContact O-N 2.91Å; E182-Q184 VanDerWaalsContact C-N 3.3Å; E182-Q184 PolarHBondContact O-N 3.23Å; E182-L185 WeakPolarHBondContact O-CB 3.38Å; E182-L185 PolarHBondContact O-N 3.03Å; E182-L185 VanDerWaalsContact O-N 3.11Å; E182-E186 WeakPolarHBondContact O-CG 3.36Å; E182-E186 PolarHBondContact O-N 2.64Å
183C92.7Very high91.5Very high61 Ų6183.6 Ų83.641%0.41242%0.42SS..Hα-helixtrans-59.6-38.8175.7-66.90000112.7E179 L180 R187E179-C183 PolarHBondContact O-N 2.88Å; L180-C183 PolarHBondContact O-N 2.99Å; C183-R187 VanDerWaalsContact O-CG 3.31Å; C183-R187 WeakPolarHBondContact O-CG 3.41Å; C183-R187 PolarHBondContact O-N 3.22Å; C183-R187 VanDerWaalsContact O-N 3.08Å
184Q94.4Very high89.6Confident98 Ų9884.4 Ų84.446%0.45843%0.428SS..Hα-helixtrans-65.8-40.1176-75.5173.7-5.600111.8L180 A181 E182 R187 L188L180-Q184 HydrophobicContact CD1-CG 4.25Å; L180-Q184 HydrophobicContact CG-CG 4.42Å; L180-Q184 WeakPolarHBondContact O-CB 2.82Å; L180-Q184 WeakPolarHBondContact O-CG 3.47Å; L180-Q184 PolarHBondContact O-N 3.07Å; A181-Q184 PolarHBondContact O-N 3.14Å; E182-Q184 VanDerWaalsContact C-N 3.3Å; E182-Q184 PolarHBondContact O-N 3.23Å; Q184-R187 PolarHBondContact O-N 2.89Å; Q184-L188 WeakPolarHBondContact O-CG 3.46Å; Q184-L188 PolarHBondContact O-N 3.33Å
185L93.6Very high87.6Confident97 Ų9788 Ų8851%0.50845%0.45SS..Hα-helixtrans-64.5-42.3176.7-177.161.8000111.7A181 E182 R187 L188 Q189A181-L185 WeakPolarHBondContact O-CB 3.41Å; A181-L185 PolarHBondContact O-N 3.45Å; E182-L185 WeakPolarHBondContact O-CB 3.38Å; E182-L185 PolarHBondContact O-N 3.03Å; E182-L185 VanDerWaalsContact O-N 3.11Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.48Å; L185-L188 PolarHBondContact O-N 3.5Å; L185-Q189 WeakPolarHBondContact O-CG 3.38Å; L185-Q189 PolarHBondContact O-N 2.83Å
186E91.1Very high85.5Confident109 Ų10994.3 Ų94.351%0.50948%0.484SS..Hα-helixtrans-60.3-41.9174-69.8178.7167.100111.9E182 Q189 T190E182-E186 WeakPolarHBondContact O-CG 3.36Å; E182-E186 PolarHBondContact O-N 2.64Å; E186-Q189 PolarHBondContact O-N 3.18Å; E186-T190 PolarHBondContact O-N 3.39Å; E186-T190 PolarHBondContact O-OG1 3.09Å
187R90.9Very high83.3Confident184 Ų18499.4 Ų99.469%0.69451%0.507SS*.Hα-helixtrans-62.7-43.6174.3-72.7173.965.5-178.21.2112C183 Q184 L185 Q189 T190 C191C183-R187 VanDerWaalsContact O-CG 3.31Å; C183-R187 WeakPolarHBondContact O-CG 3.41Å; C183-R187 PolarHBondContact O-N 3.22Å; C183-R187 VanDerWaalsContact O-N 3.08Å; Q184-R187 PolarHBondContact O-N 2.89Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.48Å; R187-Q189 VanDerWaalsContact C-N 3.34Å; R187-Q189 PolarHBondContact O-N 3.08Å; R187-T190 PolarHBondContact O-N 3.25Å; R187-C191 PolarHBondContact O-N 3.18Å; R187-C191 PolarHBondContact O-SG 3.19Å; R187-C191 VanDerWaalsContact O-SG 3.33Å
188L90.9Very high81.3Confident118 Ų11896.4 Ų96.462%0.61851%0.505SS*.Hα-helixtrans-62.4-40.5176.5-72.2173.5000112Q184 L185 T190 C191 A192Q184-L188 WeakPolarHBondContact O-CG 3.46Å; Q184-L188 PolarHBondContact O-N 3.33Å; L185-L188 PolarHBondContact O-N 3.5Å; L188-T190 VanDerWaalsContact C-N 3.33Å; L188-T190 PolarHBondContact O-N 3.42Å; L188-C191 PolarHBondContact O-N 3.28Å; L188-A192 WeakPolarHBondContact O-CB 3.43Å; L188-A192 PolarHBondContact O-N 2.93Å
189Q89.2Confident79Confident101 Ų101101 Ų10147%0.47254%0.537SS..Hα-helixtrans-64.5-38.2175.7-71175.73.400112L185 E186 R187 A192 R193L185-Q189 WeakPolarHBondContact O-CG 3.38Å; L185-Q189 PolarHBondContact O-N 2.83Å; E186-Q189 PolarHBondContact O-N 3.18Å; R187-Q189 VanDerWaalsContact C-N 3.34Å; R187-Q189 PolarHBondContact O-N 3.08Å; Q189-A192 PolarHBondContact O-N 3.3Å; Q189-R193 WeakPolarHBondContact O-CG 3.39Å; Q189-R193 PolarHBondContact O-N 3.45Å; Q189-R193 VanDerWaalsContact O-N 3.08Å
190T84Confident76.9Confident81 Ų81103.8 Ų103.850%0.49756%0.556SS.*Hα-helixtrans-66.4-44176.3-55.10000111.3E186 R187 L188 A192 R193 N194E186-T190 PolarHBondContact O-N 3.39Å; E186-T190 PolarHBondContact O-OG1 3.09Å; R187-T190 PolarHBondContact O-N 3.25Å; L188-T190 VanDerWaalsContact C-N 3.33Å; L188-T190 PolarHBondContact O-N 3.42Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.23Å; T190-R193 PolarHBondContact O-N 3.09Å; T190-N194 PolarHBondContact O-N 2.93Å
191C79.9Confident74.8Confident80 Ų80106.8 Ų106.854%0.54157%0.573SS.*Hα-helixtrans-61.1-40.9174.2-67.10000112.3R187 L188 N194 T195R187-C191 PolarHBondContact O-N 3.18Å; R187-C191 PolarHBondContact O-SG 3.19Å; R187-C191 VanDerWaalsContact O-SG 3.33Å; L188-C191 PolarHBondContact O-N 3.28Å; C191-N194 PolarHBondContact O-N 2.77Å; C191-T195 PolarHBondContact O-N 3.45Å
192A75.6Confident72.5Confident53 Ų53114.5 Ų114.544%0.43859%0.592SS.*Hα-helixtrans-64.1-39.8177.700000112.4L188 Q189 T190 N194 T195L188-A192 WeakPolarHBondContact O-CB 3.43Å; L188-A192 PolarHBondContact O-N 2.93Å; Q189-A192 PolarHBondContact O-N 3.3Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.23Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 2.96Å; A192-T195 PolarHBondContact O-N 2.9Å; A192-T195 PolarHBondContact O-OG1 2.79Å
193R64.2Low70.3Confident183 Ų183119.2 Ų119.269%0.69162%0.618SS**Hα-helixtrans-64.4-34.6175.6-71.6177.4-174.8-179.14.2112.7Q189 T190 T195 D196Q189-R193 WeakPolarHBondContact O-CG 3.39Å; Q189-R193 PolarHBondContact O-N 3.45Å; Q189-R193 VanDerWaalsContact O-N 3.08Å; T190-R193 PolarHBondContact O-N 3.09Å; R193-T195 PolarHBondContact O-N 3.46Å; R193-D196 PolarHBondContact O-N 3.43Å
194N59.4Low68Low114 Ų114125 Ų12561%0.6163%0.631SS**Hα-helixtrans-68.9-16.2174.1-68.1-17.9000113T190 C191 A192T190-N194 PolarHBondContact O-N 2.93Å; C191-N194 PolarHBondContact O-N 2.77Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 2.96Å
195T56.4Low65.7Low77 Ų77127.8 Ų127.847%0.47265%0.65SS.*THydrogen-bonded Turntrans-83.9-11.8173.466.10000114C191 A192 R193 D197 V198C191-T195 PolarHBondContact O-N 3.45Å; A192-T195 PolarHBondContact O-N 2.9Å; A192-T195 PolarHBondContact O-OG1 2.79Å; R193-T195 PolarHBondContact O-N 3.46Å; T195-D197 PolarHBondContact O-N 3.07Å; T195-V198 PolarHBondContact O-N 3.28Å; T195-V198 VanDerWaalsContact O-O 3.1Å
196D53.4Low63.4Low132 Ų132129.7 Ų129.771%0.70665%0.654SS**THydrogen-bonded Turntrans-73.7-14.7174.3-74.9-38.4000112.4R193R193-D196 PolarHBondContact O-N 3.43Å
197D53Low61.4Low155 Ų155131.8 Ų131.883%0.82967%0.668SS**THydrogen-bonded Turntrans-95.4-0.9174-122.4-10.4000113.7T195T195-D197 PolarHBondContact O-N 3.07Å
198V56Low59.3Low90 Ų90128.6 Ų128.655%0.54567%0.67SS.*SBendtrans-102.3122.2167.4-177.20000107T195 V200T195-V198 PolarHBondContact O-N 3.28Å; T195-V198 VanDerWaalsContact O-O 3.1Å; V198-V200 HydrophobicContact CG1-CG2 4.34Å; V198-V200 PolarHBondContact O-N 3.01Å
199P48.9Very low57.3Low125 Ų125132.7 Ų132.781%0.81268%0.683SS**  trans-70.978.9176.629.4-32.1000109N201P199-N201 PolarHBondContact O-N 2.58Å; P199-N201 VanDerWaalsContact O-N 3.12Å
200V53.6Low55.1Low101 Ų101139.8 Ų139.861%0.61271%0.706SS**  trans-68.4112.7167.8-175.20000105.5V198 R202V198-V200 HydrophobicContact CG1-CG2 4.34Å; V198-V200 PolarHBondContact O-N 3.01Å; V200-R202 PolarHBondContact O-N 3.19Å
201N51.9Low53.2Low160 Ų160142.9 Ų142.986%0.85672%0.719SS**  trans-6379.9179.8-137.81.2000108.8P199 L203P199-N201 PolarHBondContact O-N 2.58Å; P199-N201 VanDerWaalsContact O-N 3.12Å; N201-L203 PolarHBondContact O-N 2.95Å
202R48.2Very low51.6Low212 Ų212143 Ų14380%0.873%0.734SS**  trans-61.4104.3171.6-83-168.3-165-165.68.4106.1V200 R204V200-R202 PolarHBondContact O-N 3.19Å; R202-R204 PolarHBondContact O-N 3.22Å
203L49Very low50.2Low172 Ų172145.2 Ų145.290%0.90174%0.742SS**  trans-57.490.2157.3-85.1162.8000106.8N201 N205N201-L203 PolarHBondContact O-N 2.95Å; L203-N205 PolarHBondContact O-N 2.85Å
204R43.9Very low49.3Very low182 Ų182146.9 Ų146.969%0.68775%0.754SS**  trans-75.579.4-177.1-157.5-176.2-1791772.1107.2R202 K206R202-R204 PolarHBondContact O-N 3.22Å; R204-K206 HydrophobicContact CG-CG 3.55Å; R204-K206 PolarHBondContact O-N 3.32Å
205N47Very low48.9Very low158 Ų158151.7 Ų151.785%0.84576%0.764SS**  trans-66.379.2155.3-93.7-3.6000107.2L203 L207L203-N205 PolarHBondContact O-N 2.85Å; N205-L207 PolarHBondContact O-N 3.3Å
206K44.5Very low48.6Very low137 Ų137153.9 Ų153.960%0.59678%0.779SS**  trans-6787164.9-68.5-151.3-134.5-1610107.4R204 P208R204-K206 HydrophobicContact CG-CG 3.55Å; R204-K206 PolarHBondContact O-N 3.32Å; K206-P208 WeakPolarHBondContact O-CD 3.4Å
207L49.1Very low48.9Very low153 Ų153154.3 Ų154.380%0.80178%0.781SS**  trans-68.6113.7143.9-77.8153.4000105.5N205 K209N205-L207 PolarHBondContact O-N 3.3Å; L207-K209 PolarHBondContact O-N 3.13Å; L207-K209 VanDerWaalsContact O-N 3.08Å
208P48.4Very low49.3Very low116 Ų116156 Ų15675%0.75378%0.784SS**  trans-67.4113176.623.8-23.4000107.7K206 R210K206-P208 WeakPolarHBondContact O-CD 3.4Å; P208-R210 PolarHBondContact O-N 3.24Å
209K48.3Very low50.3Low204 Ų204159.4 Ų159.489%0.88779%0.787SS**  trans-56.7123.6164.2-77.5-172.7177.3-176.40107.1L207 D211L207-K209 PolarHBondContact O-N 3.13Å; L207-K209 VanDerWaalsContact O-N 3.08Å; K209-D211 VanDerWaalsContact C-N 3.26Å; K209-D211 PolarHBondContact O-N 3.19Å
210R42.9Very low51.8Low251 Ų251159.2 Ų159.295%0.94777%0.77SS**  trans-75.877.2-171.4-158.5178.6-174.9-1760.2108.2P208 G212P208-R210 PolarHBondContact O-N 3.24Å; R210-G212 PolarHBondContact O-N 3.47Å
211D43.6Very low53.3Low146 Ų146163.8 Ų163.878%0.78178%0.776SS**  trans-71.1119.1165-104.4-26.1000108.4K209 T213K209-D211 VanDerWaalsContact C-N 3.26Å; K209-D211 PolarHBondContact O-N 3.19Å; D211-T213 PolarHBondContact O-N 3.14Å
212G45.5Very low54.9Low82 Ų82156.2 Ų156.285%0.84574%0.736SS**  trans-71.146.2-173.700000114.7R210R210-G212 PolarHBondContact O-N 3.47Å
213T47.4Very low56.7Low99 Ų99148.3 Ų148.361%0.60771%0.709SS**  trans-110117.4169.155.80000109D211 R215D211-T213 PolarHBondContact O-N 3.14Å; T213-R215 VanDerWaalsContact C-N 3.26Å; T213-R215 PolarHBondContact O-N 3.49Å
214K44.5Very low58.4Low219 Ų219142 Ų14295%0.95268%0.678SS**  trans-60.283177.8-66178.3-179.6176.50109.9
215R50.6Low60.2Low214 Ų214137.1 Ų137.181%0.80867%0.672SS**  trans-82135.5169.3-73.4-172174.4-154.9-1.5109.1T213 L217T213-R215 VanDerWaalsContact C-N 3.26Å; T213-R215 PolarHBondContact O-N 3.49Å; R215-L217 PolarHBondContact O-N 3.16Å
216P51.9Low62Low123 Ų123136.5 Ų136.580%0.79966%0.662SS**  trans-60.5132.6-177.28.7-7000110H218P216-H218 PolarHBondContact O-N 3.04Å
217L57.9Low64Low141 Ų141131.3 Ų131.374%0.73864%0.642SS**  trans-57.6103.5177.2-77.3164000109.7R215 R219R215-L217 PolarHBondContact O-N 3.16Å; L217-R219 PolarHBondContact O-N 3.02Å
218H62.9Low66Low191 Ų191124 Ų12488%0.88460%0.604SS**  trans-61.3103.3168.3-110.4-73.2000108.2P216 R220P216-H218 PolarHBondContact O-N 3.04Å; H218-R220 PolarHBondContact O-N 2.76Å
219R75.5Confident67.9Low161 Ų161119.7 Ų119.761%0.60857%0.574SS**PPolyproline II helixtrans-67.9120173.5-63.3-169-159.2-1693.8108.9L217 R221 V269L217-R219 PolarHBondContact O-N 3.02Å; R219-R221 PolarHBondContact O-N 3.24Å; R219-V269 HydrophobicContact CB-CG2 4.03Å; R219-V269 HydrophobicContact CG-CG2 4.32Å
220R81.9Confident69.9Low122 Ų122111.4 Ų111.446%0.4654%0.537SS..EExtended strand (participates in β ladder)trans-66.7123.1174.1-174.1-179.5-179.4-156.91.3109.1H218 L222 S260 R267 C268 V269H218-R220 PolarHBondContact O-N 2.76Å; R220-L222 HydrophobicContact CG-CD2 4.4Å; R220-S260 PolarHBondContact NH1-O 3.19Å; R220-R267 PolarHBondContact N-O 3.46Å; R220-C268 CarbonylContact O-C 3.45Å; R220-C268 VanDerWaalsContact O-CA 3.24Å; R220-C268 WeakPolarHBondContact O-CA 3.02Å; R220-V269 PolarHBondContact O-N 3.02Å
221R85.3Confident72.2Confident196 Ų196100.6 Ų100.674%0.7450%0.5SS*.EExtended strand (participates in β ladder)trans-82123.4175-71-179.3-175.2-106.53.5109.6R219 V269 T271R219-R221 PolarHBondContact O-N 3.24Å; R221-V269 CarbonylContact C-O 3.54Å; R221-V269 WeakPolarHBondContact CA-O 3.37Å; R221-T271 HydrophobicContact CB-CG2 3.78Å; R221-T271 HydrophobicContact CG-CG2 3.93Å
222L85Confident74.2Confident2 Ų294.4 Ų94.41%0.0147%0.471CS..EExtended strand (participates in β ladder)trans-102.3118.2177.5-59.1176.8000108.9R220 P224 V227 L229 V261 C268 V269 V270 T271R220-L222 HydrophobicContact CG-CD2 4.4Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å; L222-V227 HydrophobicContact CB-CG2 4.27Å; L222-V227 HydrophobicContact CD2-CG2 4.27Å; L222-L229 HydrophobicContact CB-CD2 4.17Å; L222-V261 HydrophobicContact CD1-CB 3.95Å; L222-V261 HydrophobicContact CD1-CG1 4.25Å; L222-V261 HydrophobicContact CD2-CG1 4.18Å; L222-C268 HydrophobicContact CD1-CB 3.74Å; L222-C268 HydrophobicContact CG-CB 4.1Å; L222-V269 PolarHBondContact N-O 3.32Å; L222-V270 HydrophobicContact CB-CG2 4.48Å; L222-V270 CarbonylContact O-C 3.51Å; L222-V270 WeakPolarHBondContact O-CA 3.48Å; L222-T271 PolarHBondContact O-N 3.23Å; L222-T271 PolarHBondContact O-OG1 3.48Å
223D86.6Confident76.1Confident46 Ų4692.1 Ų92.125%0.24645%0.447CS..  trans-97.5110.5175.9-177.7-11.4000109.5S225 K226 V227D223-S225 PolarHBondContact O-N 3.39Å; D223-S225 WeakPolarHBondContact OD1-CB 3.25Å; D223-S225 PolarHBondContact OD1-N 3.49Å; D223-S225 PolarHBondContact OD1-OG 3.42Å; D223-S225 PolarHBondContact OD2-OG 3.3Å; D223-S225 VanDerWaalsContact OD2-OG 3.1Å; D223-K226 HydrophobicContact CB-CB 4.26Å; D223-K226 HydrophobicContact CB-CD 4.35Å; D223-K226 HydrophobicContact CB-CG 4.31Å; D223-K226 PolarHBondContact O-N 2.91Å; D223-K226 WeakPolarHBondContact OD2-CD 3.36Å; D223-K226 VanDerWaalsContact OD2-CE 3.29Å; D223-K226 WeakPolarHBondContact OD2-CE 3.5Å; D223-K226 IonicContact OD2-NZ 2.79Å; D223-V227 VanDerWaalsContact O-CG2 3.31Å; D223-V227 WeakPolarHBondContact O-CG2 3.44Å; D223-V227 PolarHBondContact O-N 3.4Å
224P83.6Confident78Confident38 Ų3895.3 Ų95.325%0.24746%0.455CS..THydrogen-bonded Turntrans-58.8-16.1-179.7-23.333.9000114.6L222 L229 V270L222-P224 WeakPolarHBondContact O-CD 3.42Å; P224-L229 HydrophobicContact CB-CD1 4.3Å; P224-L229 HydrophobicContact CG-CD1 4.18Å; P224-L229 HydrophobicContact CG-CD2 4.34Å; P224-V270 HydrophobicContact CG-CG1 3.59Å
225S82.6Confident79.9Confident81 Ų8187.4 Ų87.457%0.56643%0.425SS*.THydrogen-bonded Turntrans-82.7-17.7175.372.40000113.7D223 V235D223-S225 PolarHBondContact O-N 3.39Å; D223-S225 WeakPolarHBondContact OD1-CB 3.25Å; D223-S225 PolarHBondContact OD1-N 3.49Å; D223-S225 PolarHBondContact OD1-OG 3.42Å; D223-S225 PolarHBondContact OD2-OG 3.3Å; D223-S225 VanDerWaalsContact OD2-OG 3.1Å; S225-V235 WeakPolarHBondContact O-CG2 3.33Å
226K84.1Confident81.5Confident145 Ų14580 Ų8063%0.6340%0.4SS*.THydrogen-bonded Turntrans-116.4-27.7-175-60-178.3-174.61790113.4D223D223-K226 HydrophobicContact CB-CB 4.26Å; D223-K226 HydrophobicContact CB-CD 4.35Å; D223-K226 HydrophobicContact CB-CG 4.31Å; D223-K226 PolarHBondContact O-N 2.91Å; D223-K226 WeakPolarHBondContact OD2-CD 3.36Å; D223-K226 VanDerWaalsContact OD2-CE 3.29Å; D223-K226 WeakPolarHBondContact OD2-CE 3.5Å; D223-K226 IonicContact OD2-NZ 2.79Å
227V87Confident82.8Confident28 Ų2880.9 Ų80.917%0.1740%0.397CS..BIsolated β-bridgetrans-131.7143.1-176.6-62.60000112.6L222 D223 G233L222-V227 HydrophobicContact CB-CG2 4.27Å; L222-V227 HydrophobicContact CD2-CG2 4.27Å; D223-V227 VanDerWaalsContact O-CG2 3.31Å; D223-V227 WeakPolarHBondContact O-CG2 3.44Å; D223-V227 PolarHBondContact O-N 3.4Å; V227-G233 CarbonylContact C-O 3.48Å; V227-G233 VanDerWaalsContact CA-O 3.23Å; V227-G233 WeakPolarHBondContact CA-O 3.26Å
228C90.1Very high83.3Confident0 Ų080.9 Ų80.90%039%0.393CS..  trans-70.2127.4169.8177.90000110.2R230 G232 G233 H236C228-R230 PolarHBondContact O-N 3.11Å; C228-R230 PolarHBondContact SG-N 2.92Å; C228-R230 VanDerWaalsContact SG-N 3.38Å; C228-G232 WeakPolarHBondContact O-CA 3.27Å; C228-G232 PolarHBondContact O-N 3.29Å; C228-G233 PolarHBondContact N-O 2.94Å; C228-H236 PolarHBondContact SG-CD2 2.96Å
229L89.3Confident83.8Confident25 Ų2579.4 Ų79.413%0.13139%0.391CS..THydrogen-bonded Turntrans-73.7-3.6179.9-55.7-178.2000113.8L222 P224 V261 V270 N280 V282L222-L229 HydrophobicContact CB-CD2 4.17Å; P224-L229 HydrophobicContact CB-CD1 4.3Å; P224-L229 HydrophobicContact CG-CD1 4.18Å; P224-L229 HydrophobicContact CG-CD2 4.34Å; L229-V261 WeakPolarHBondContact O-CG2 3.12Å; L229-V270 HydrophobicContact CD2-CG2 4.44Å; L229-N280 HydrophobicContact CB-CB 4.38Å; L229-N280 HydrophobicContact CD1-CB 4.27Å; L229-N280 HydrophobicContact CG-CB 4.24Å; L229-V282 HydrophobicContact CB-CG2 4.37Å
230R89.8Confident83.9Confident29 Ų2974.8 Ų74.811%0.10938%0.384CS..THydrogen-bonded Turntrans-96.9-55.1175.4-55.2-174.2174.4-114.813.8111.7C228 C242 A244 G256 H257 L258 V261C228-R230 PolarHBondContact O-N 3.11Å; C228-R230 PolarHBondContact SG-N 2.92Å; C228-R230 VanDerWaalsContact SG-N 3.38Å; R230-C242 HydrophobicContact CB-CB 4.47Å; R230-C242 VanDerWaalsContact CB-SG 3.57Å; R230-A244 HydrophobicContact CB-CB 4.02Å; R230-A244 WeakPolarHBondContact O-CB 3.26Å; R230-G256 VanDerWaalsContact CB-O 3.3Å; R230-G256 WeakPolarHBondContact CB-O 3.22Å; R230-G256 WeakPolarHBondContact CG-O 3.4Å; R230-H257 CarbonylContact O-C 3.53Å; R230-H257 WeakPolarHBondContact O-CA 3.46Å; R230-L258 PolarHBondContact O-N 2.89Å; R230-V261 VanDerWaalsContact O-CG2 3.25Å; R230-V261 WeakPolarHBondContact O-CG2 3.41Å
231C90.4Very high83.9Confident24 Ų2478.9 Ų78.916%0.16240%0.399CS..THydrogen-bonded Turntrans-100.7-19.4-175.369.70000115G233 H236 A244 L258C231-G233 VanDerWaalsContact C-N 3.27Å; C231-G233 PolarHBondContact O-N 3.24Å; C231-G233 PolarHBondContact SG-N 3.33Å; C231-H236 PolarHBondContact SG-NE2 3.12Å; C231-A244 HydrophobicContact CB-CB 3.79Å; C231-L258 HydrophobicContact CB-CD1 4.39Å
232G87Confident84Confident17 Ų1770.2 Ų70.218%0.17537%0.368CS..SBendtrans77.94.1-174.200000115.7C228C228-G232 WeakPolarHBondContact O-CA 3.27Å; C228-G232 PolarHBondContact O-N 3.29Å
233G85.8Confident84.1Confident33 Ų3374.9 Ų74.934%0.3440%0.399SS..SBendtrans-80.3-17016900000112.6V227 C228 C231V227-G233 CarbonylContact C-O 3.48Å; V227-G233 VanDerWaalsContact CA-O 3.23Å; V227-G233 WeakPolarHBondContact CA-O 3.26Å; C228-G233 PolarHBondContact N-O 2.94Å; C231-G233 VanDerWaalsContact C-N 3.27Å; C231-G233 PolarHBondContact O-N 3.24Å; C231-G233 PolarHBondContact SG-N 3.33Å
234Q86.3Confident84.1Confident167 Ų16772.8 Ų72.878%0.7839%0.388SS*.BIsolated β-bridgetrans-61.1154174.1-68.8179.6-17.400111.4H236Q234-H236 PolarHBondContact O-N 3.33Å
235V85.4Confident84.2Confident52 Ų5274.7 Ų74.732%0.31539%0.393SS..PPolyproline II helixtrans-58.8127.6177-179.10000109.7S225S225-V235 WeakPolarHBondContact O-CG2 3.33Å
236H83.1Confident84.4Confident60 Ų6078.5 Ų78.528%0.27840%0.402SS..PPolyproline II helixtrans-72.7148.3179.6-61.1-54000111.7C228 C231 Q234 C242C228-H236 PolarHBondContact SG-CD2 2.96Å; C231-H236 PolarHBondContact SG-NE2 3.12Å; Q234-H236 PolarHBondContact O-N 3.33Å; H236-C242 PolarHBondContact NE2-SG 3.04Å
237L79.2Confident84.6Confident141 Ų14177.3 Ų77.374%0.73840%0.397SS*.PPolyproline II helixtrans-66.4158.7170-66.5166.1000109.9N239 S240L237-N239 PolarHBondContact O-N 3.24Å; L237-S240 PolarHBondContact O-N 2.86Å
238Q69.4Low84.7Confident141 Ų14182.4 Ų82.466%0.65942%0.417SS*.THydrogen-bonded Turntrans-55.3-19.1-169-146.8114.62.600114.9L279Q238-L279 HydrophobicContact CG-CD1 4.2Å
239N72.4Confident84.7Confident159 Ų15982.5 Ų82.585%0.8542%0.418SS*.THydrogen-bonded Turntrans-119.57.8-177.2-64.8-11000114.1L237L237-N239 PolarHBondContact O-N 3.24Å
240S77.5Confident84.8Confident64 Ų6491.5 Ų91.545%0.44845%0.451SS..PPolyproline II helixtrans-91.5120.2-179.8-58.10000110.8L237L237-S240 PolarHBondContact O-N 2.86Å
241R83.1Confident84.6Confident208 Ų20894.8 Ų94.879%0.78547%0.468SS*.PPolyproline II helixtrans-66.2135.1172.3-72.6-170-179.4-147.52.1110.6
242C87.2Confident84.5Confident14 Ų1495.7 Ų95.710%0.09547%0.474CS..PPolyproline II helixtrans-80.9130.1178.8-175.50000110R230 H236 A244 E245R230-C242 HydrophobicContact CB-CB 4.47Å; R230-C242 VanDerWaalsContact CB-SG 3.57Å; H236-C242 PolarHBondContact NE2-SG 3.04Å; C242-A244 PolarHBondContact O-N 3.32Å; C242-E245 HydrophobicContact CB-CB 4.34Å; C242-E245 VanDerWaalsContact O-CB 3.23Å; C242-E245 WeakPolarHBondContact O-CB 3.38Å; C242-E245 PolarHBondContact O-N 3.21Å
243P85.6Confident84.5Confident101 Ų10196.6 Ų96.666%0.65648%0.484SS*.THydrogen-bonded Turntrans-58.2-16.5175.4-25.434.1000114.7K247P243-K247 VanDerWaalsContact O-CG 3.26Å; P243-K247 WeakPolarHBondContact O-CG 3.32Å
244A86.8Confident84.6Confident1 Ų197 Ų971%0.00848%0.481CS..THydrogen-bonded Turntrans-99.64.2179.500000114.1R230 C231 C242 E246 K247 G256 H257 L258R230-A244 HydrophobicContact CB-CB 4.02Å; R230-A244 WeakPolarHBondContact O-CB 3.26Å; C231-A244 HydrophobicContact CB-CB 3.79Å; C242-A244 PolarHBondContact O-N 3.32Å; A244-E246 VanDerWaalsContact C-N 3.34Å; A244-E246 PolarHBondContact O-N 3.09Å; A244-K247 PolarHBondContact O-N 3.07Å; A244-G256 CarbonylContact O-C 3.52Å; A244-G256 VanDerWaalsContact O-CA 3.3Å; A244-G256 WeakPolarHBondContact O-CA 3.45Å; A244-H257 PolarHBondContact O-N 3.23Å; A244-L258 HydrophobicContact CB-CD1 4.38Å; A244-L258 HydrophobicContact CB-CD2 4.11Å; A244-L258 HydrophobicContact CB-CG 3.79Å
245E85.6Confident84.7Confident78 Ų7894.3 Ų94.336%0.36447%0.471SS..THydrogen-bonded Turntrans-61.6-37.7-175.9-176.2161.2-154.500113.6C242 G256C242-E245 HydrophobicContact CB-CB 4.34Å; C242-E245 VanDerWaalsContact O-CB 3.23Å; C242-E245 WeakPolarHBondContact O-CB 3.38Å; C242-E245 PolarHBondContact O-N 3.21Å; E245-G256 VanDerWaalsContact O-CA 3.25Å; E245-G256 WeakPolarHBondContact O-CA 3.5Å
246E87.1Confident84.8Confident161 Ų16192 Ų9275%0.75246%0.458SS*.THydrogen-bonded Turntrans-112.312179.5-63.7175.6179.300112.3A244A244-E246 VanDerWaalsContact C-N 3.34Å; A244-E246 PolarHBondContact O-N 3.09Å
247K87.6Confident85.2Confident120 Ų12089.3 Ų89.352%0.52245%0.446SS..PPolyproline II helixtrans-85.1136.6179.9-64.1-65.8-177.3-173.60110.8P243 A244 G256 L258P243-K247 VanDerWaalsContact O-CG 3.26Å; P243-K247 WeakPolarHBondContact O-CG 3.32Å; A244-K247 PolarHBondContact O-N 3.07Å; K247-G256 PolarHBondContact O-N 2.86Å; K247-L258 HydrophobicContact CB-CD2 4.03Å; K247-L258 HydrophobicContact CG-CD2 4.35Å
248K90.6Very high85.8Confident135 Ų13585.4 Ų85.459%0.58743%0.425SS*.BIsolated β-bridgetrans-80.6128.3172.3-170.3176.2-178.5176.50110.3Y250 G253 L255K248-Y250 PolarHBondContact O-N 2.99Å; K248-G253 VanDerWaalsContact CE-O 3.29Å; K248-G253 WeakPolarHBondContact CE-O 3.36Å; K248-G253 WeakPolarHBondContact CG-O 3.47Å; K248-L255 HydrophobicContact CB-CD2 3.93Å; K248-L255 HydrophobicContact CG-CD2 4.46Å
249C90.4Very high86.7Confident2 Ų280.2 Ų80.21%0.01441%0.407CS..PPolyproline II helixtrans-70.7123175.31780000111Q251 G253 S254 H257C249-Q251 PolarHBondContact O-N 3.22Å; C249-Q251 VanDerWaalsContact O-N 3.14Å; C249-Q251 PolarHBondContact SG-N 2.93Å; C249-Q251 VanDerWaalsContact SG-N 3.37Å; C249-G253 VanDerWaalsContact O-CA 3.23Å; C249-G253 WeakPolarHBondContact O-CA 3.36Å; C249-G253 PolarHBondContact O-N 3Å; C249-S254 WeakPolarHBondContact CB-O 3.38Å; C249-S254 PolarHBondContact N-O 2.94Å; C249-H257 VanDerWaalsContact CB-CE1 3.41Å; C249-H257 WeakPolarHBondContact CB-CE1 3.24Å; C249-H257 WeakPolarHBondContact CB-NE2 3.41Å; C249-H257 PolarHBondContact SG-NE2 3.25Å
250Y90.1Very high87.5Confident214 Ų21475.4 Ų75.484%0.83939%0.385SS*.THydrogen-bonded Turntrans-70.1-3176.6-58.9-73.3000114.6K248K248-Y250 PolarHBondContact O-N 2.99Å
251Q86.1Confident88Confident98 Ų9872.6 Ų72.646%0.45837%0.365SS..THydrogen-bonded Turntrans-108.1-40.4-178.8-69.8-66-30.600113.8C249 A259C249-Q251 PolarHBondContact O-N 3.22Å; C249-Q251 VanDerWaalsContact O-N 3.14Å; C249-Q251 PolarHBondContact SG-N 2.93Å; C249-Q251 VanDerWaalsContact SG-N 3.37Å; Q251-A259 HydrophobicContact CB-CB 4.4Å; Q251-A259 HydrophobicContact CG-CB 3.65Å
252C89Confident88.3Confident44 Ų4462.7 Ų62.730%0.29733%0.328SS..THydrogen-bonded Turntrans-115.6-8.5178.167.80000114.2S254 H257 C262 T264C252-S254 VanDerWaalsContact C-N 3.28Å; C252-S254 PolarHBondContact O-N 3.37Å; C252-S254 PolarHBondContact SG-OG 2.92Å; C252-H257 PolarHBondContact SG-CE1 3.46Å; C252-H257 PolarHBondContact SG-NE2 3.34Å; C252-H257 VanDerWaalsContact SG-NE2 3.38Å; C252-C262 VanDerWaalsContact SG-SG 3.6Å; C252-T264 HydrophobicContact CB-CG2 3.84Å
253G86Confident88.3Confident36 Ų3665.6 Ų65.637%0.37135%0.345SS..  trans79.3-7.7177.800000116.3K248 C249K248-G253 VanDerWaalsContact CE-O 3.29Å; K248-G253 WeakPolarHBondContact CE-O 3.36Å; K248-G253 WeakPolarHBondContact CG-O 3.47Å; C249-G253 VanDerWaalsContact O-CA 3.23Å; C249-G253 WeakPolarHBondContact O-CA 3.36Å; C249-G253 PolarHBondContact O-N 3Å
254S87.4Confident88.3Confident42 Ų4265.7 Ų65.729%0.29434%0.344SS..  trans-81.3157.3177.364.90000113.2C249 C252 H257C249-S254 WeakPolarHBondContact CB-O 3.38Å; C249-S254 PolarHBondContact N-O 2.94Å; C252-S254 VanDerWaalsContact C-N 3.28Å; C252-S254 PolarHBondContact O-N 3.37Å; C252-S254 PolarHBondContact SG-OG 2.92Å; S254-H257 PolarHBondContact OG-CE1 3.04Å; S254-H257 VanDerWaalsContact OG-CE1 3.25Å
255L89.4Confident88Confident109 Ų10967.2 Ų67.257%0.57135%0.354SS*.BIsolated β-bridgetrans-83.1158.8-179.2-66.2174.7000112K248K248-L255 HydrophobicContact CB-CD2 3.93Å; K248-L255 HydrophobicContact CG-CD2 4.46Å
256G86.7Confident87.7Confident3 Ų365.1 Ų65.13%0.03135%0.354CS..SBendtrans90.512.7167.500000115.7R230 A244 E245 K247R230-G256 VanDerWaalsContact CB-O 3.3Å; R230-G256 WeakPolarHBondContact CB-O 3.22Å; R230-G256 WeakPolarHBondContact CG-O 3.4Å; A244-G256 CarbonylContact O-C 3.52Å; A244-G256 VanDerWaalsContact O-CA 3.3Å; A244-G256 WeakPolarHBondContact O-CA 3.45Å; E245-G256 VanDerWaalsContact O-CA 3.25Å; E245-G256 WeakPolarHBondContact O-CA 3.5Å; K247-G256 PolarHBondContact O-N 2.86Å
257H92Very high87.3Confident5 Ų563 Ų632%0.02334%0.339CS..SBendtrans-158.9161.3170.970.6-69.1000113R230 A244 C249 C252 S254 V261 C262 V282R230-H257 CarbonylContact O-C 3.53Å; R230-H257 WeakPolarHBondContact O-CA 3.46Å; A244-H257 PolarHBondContact O-N 3.23Å; C249-H257 VanDerWaalsContact CB-CE1 3.41Å; C249-H257 WeakPolarHBondContact CB-CE1 3.24Å; C249-H257 WeakPolarHBondContact CB-NE2 3.41Å; C249-H257 PolarHBondContact SG-NE2 3.25Å; C252-H257 PolarHBondContact SG-CE1 3.46Å; C252-H257 PolarHBondContact SG-NE2 3.34Å; C252-H257 VanDerWaalsContact SG-NE2 3.38Å; S254-H257 PolarHBondContact OG-CE1 3.04Å; S254-H257 VanDerWaalsContact OG-CE1 3.25Å; H257-V261 HydrophobicContact CB-CG2 4.13Å; H257-C262 PolarHBondContact NE2-SG 3Å; H257-C262 VanDerWaalsContact NE2-SG 3.4Å; H257-V282 HydrophobicContact CB-CG1 4.36Å; H257-V282 HydrophobicContact CB-CG2 4.33Å
258L91Very high87.1Confident59 Ų5957.7 Ų57.731%0.30932%0.317SS..  trans-92.4155.8175.1-60.2-178.6000112.2R230 C231 A244 K247 S260 V261 C262R230-L258 PolarHBondContact O-N 2.89Å; C231-L258 HydrophobicContact CB-CD1 4.39Å; A244-L258 HydrophobicContact CB-CD1 4.38Å; A244-L258 HydrophobicContact CB-CD2 4.11Å; A244-L258 HydrophobicContact CB-CG 3.79Å; K247-L258 HydrophobicContact CB-CD2 4.03Å; K247-L258 HydrophobicContact CG-CD2 4.35Å; L258-S260 PolarHBondContact O-N 3.19Å; L258-V261 WeakPolarHBondContact O-CG2 3.37Å; L258-V261 PolarHBondContact O-N 3.47Å; L258-C262 PolarHBondContact O-N 3.39Å
259A89.5Confident86.9Confident32 Ų3253.7 Ų53.726%0.26430%0.303SS..G310 helixtrans-54.5-26.7175.600000113.6Q251 V261Q251-A259 HydrophobicContact CB-CB 4.4Å; Q251-A259 HydrophobicContact CG-CB 3.65Å; A259-V261 VanDerWaalsContact C-N 3.27Å; A259-V261 PolarHBondContact O-N 2.95Å
260S88Confident86.6Confident58 Ų5856 Ų5641%0.40632%0.318SS..G310 helixtrans-69.9-16.2179.357.60000114.9R220 L258R220-S260 PolarHBondContact NH1-O 3.19Å; L258-S260 PolarHBondContact O-N 3.19Å
261V89.5Confident85.9Confident4 Ų447.7 Ų47.72%0.02429%0.289CS..G310 helixtrans-126.410.3179.3-66.60000112.9L222 L229 R230 H257 L258 A259 V263L222-V261 HydrophobicContact CD1-CB 3.95Å; L222-V261 HydrophobicContact CD1-CG1 4.25Å; L222-V261 HydrophobicContact CD2-CG1 4.18Å; L229-V261 WeakPolarHBondContact O-CG2 3.12Å; R230-V261 VanDerWaalsContact O-CG2 3.25Å; R230-V261 WeakPolarHBondContact O-CG2 3.41Å; H257-V261 HydrophobicContact CB-CG2 4.13Å; L258-V261 WeakPolarHBondContact O-CG2 3.37Å; L258-V261 PolarHBondContact O-N 3.47Å; A259-V261 VanDerWaalsContact C-N 3.27Å; A259-V261 PolarHBondContact O-N 2.95Å; V261-V263 PolarHBondContact O-N 3.41Å; V261-V263 VanDerWaalsContact O-N 3.14Å
262C89.1Confident85Confident0 Ų054.5 Ų54.50%031%0.311CS..  trans-69.5108.8-177.4-177.10000111.7C252 H257 L258 T264 S265C252-C262 VanDerWaalsContact SG-SG 3.6Å; H257-C262 PolarHBondContact NE2-SG 3Å; H257-C262 VanDerWaalsContact NE2-SG 3.4Å; L258-C262 PolarHBondContact O-N 3.39Å; C262-T264 VanDerWaalsContact C-N 3.34Å; C262-S265 PolarHBondContact O-N 3Å; C262-S265 PolarHBondContact O-OG 2.95Å; C262-S265 PolarHBondContact SG-N 3.38Å; C262-S265 VanDerWaalsContact SG-N 3.42Å
263V87.3Confident83.4Confident75 Ų7561 Ų6146%0.45534%0.337SS..THydrogen-bonded Turntrans-69.3-34.7176.2-174.50000111.1V261 S265 G266 V270V261-V263 PolarHBondContact O-N 3.41Å; V261-V263 VanDerWaalsContact O-N 3.14Å; V263-S265 PolarHBondContact O-N 3.4Å; V263-G266 PolarHBondContact O-N 2.95Å; V263-G266 VanDerWaalsContact O-N 3.15Å; V263-V270 HydrophobicContact CG2-CG2 3.78Å
264T84.4Confident81.7Confident103 Ų10366.5 Ų66.563%0.63236%0.357SS*.THydrogen-bonded Turntrans-60.9-29.5177.6-440000112.7C252 C262 G266C252-T264 HydrophobicContact CB-CG2 3.84Å; C262-T264 VanDerWaalsContact C-N 3.34Å; T264-G266 PolarHBondContact O-N 3.24Å; T264-G266 VanDerWaalsContact O-N 3.16Å
265S80.8Confident79.9Confident33 Ų3372.4 Ų72.423%0.23138%0.38CS..THydrogen-bonded Turntrans-70.9-4.8179.175.80000114.6C262 V263 R267C262-S265 PolarHBondContact O-N 3Å; C262-S265 PolarHBondContact O-OG 2.95Å; C262-S265 PolarHBondContact SG-N 3.38Å; C262-S265 VanDerWaalsContact SG-N 3.42Å; V263-S265 PolarHBondContact O-N 3.4Å; S265-R267 PolarHBondContact O-N 3.46Å; S265-R267 VanDerWaalsContact O-N 3.1Å; S265-R267 PolarHBondContact OG-N 3.4Å
266G80.4Confident77.6Confident34 Ų3477.5 Ų77.535%0.35139%0.392SS..THydrogen-bonded Turntrans72.4-5.3-176.500000115V263 T264V263-G266 PolarHBondContact O-N 2.95Å; V263-G266 VanDerWaalsContact O-N 3.15Å; T264-G266 PolarHBondContact O-N 3.24Å; T264-G266 VanDerWaalsContact O-N 3.16Å
267R78.1Confident75.7Confident117 Ų11787.2 Ų87.244%0.44243%0.428SS..SBendtrans-86.3-12.8-179-70.1-175.8-103.9-177.6-12.4114.4R220 S265R220-R267 PolarHBondContact N-O 3.46Å; S265-R267 PolarHBondContact O-N 3.46Å; S265-R267 VanDerWaalsContact O-N 3.1Å; S265-R267 PolarHBondContact OG-N 3.4Å
268C83.7Confident73.7Confident8 Ų896.4 Ų96.45%0.05447%0.467CS..EExtended strand (participates in β ladder)trans-131.6148.3-179.5-63.10000111.7R220 L222R220-C268 CarbonylContact O-C 3.45Å; R220-C268 VanDerWaalsContact O-CA 3.24Å; R220-C268 WeakPolarHBondContact O-CA 3.02Å; L222-C268 HydrophobicContact CD1-CB 3.74Å; L222-C268 HydrophobicContact CG-CB 4.1Å
269V85.3Confident71.7Confident51 Ų5198.2 Ų98.231%0.30948%0.477SS..EExtended strand (participates in β ladder)trans-134.4131.7172.9175.10000108.6R219 R220 R221 L222R219-V269 HydrophobicContact CB-CG2 4.03Å; R219-V269 HydrophobicContact CG-CG2 4.32Å; R220-V269 PolarHBondContact O-N 3.02Å; R221-V269 CarbonylContact C-O 3.54Å; R221-V269 WeakPolarHBondContact CA-O 3.37Å; L222-V269 PolarHBondContact N-O 3.32Å
270V84.4Confident69.8Low52 Ų5298.1 Ų98.132%0.31547%0.472SS..EExtended strand (participates in β ladder)trans-80.5126.7176.3-176.50000109.5L222 P224 L229 V263L222-V270 HydrophobicContact CB-CG2 4.48Å; L222-V270 CarbonylContact O-C 3.51Å; L222-V270 WeakPolarHBondContact O-CA 3.48Å; P224-V270 HydrophobicContact CG-CG1 3.59Å; L229-V270 HydrophobicContact CD2-CG2 4.44Å; V263-V270 HydrophobicContact CG2-CG2 3.78Å
271T76Confident68.2Low38 Ų3898.1 Ų98.123%0.23348%0.476CS..  trans-83.9149.7174.549.90000111.1R221 L222R221-T271 HydrophobicContact CB-CG2 3.78Å; R221-T271 HydrophobicContact CG-CG2 3.93Å; L222-T271 PolarHBondContact O-N 3.23Å; L222-T271 PolarHBondContact O-OG1 3.48Å
272R67.8Low66.6Low242 Ų242100.8 Ų100.891%0.91349%0.492SS*.  trans-27.3133.3-164-79.7-177.9171.8167.8-3.1117.1N274R272-N274 PolarHBondContact O-N 2.93Å; R272-N274 VanDerWaalsContact O-N 3.16Å
273Q55.5Low64.7Low181 Ų181107.8 Ų107.885%0.84652%0.524SS*.  trans-73.987-179.7-67.9171.7-18.700112.2Q275Q273-Q275 PolarHBondContact O-N 3.24Å
274N48.5Very low62.5Low150 Ų150107.2 Ų107.280%0.80253%0.533SS*.  trans-89.795.6160.5-100.23.3000110.3R272 R276R272-N274 PolarHBondContact O-N 2.93Å; R272-N274 VanDerWaalsContact O-N 3.16Å; N274-R276 VanDerWaalsContact C-N 3.29Å; N274-R276 PolarHBondContact O-N 2.92Å
275Q49.7Very low60.3Low166 Ų166108.1 Ų108.178%0.77654%0.539SS*.SBendtrans50.11.3143.7-64.1-172.5-9.600122.4Q273 R277Q273-Q275 PolarHBondContact O-N 3.24Å; Q275-R277 VanDerWaalsContact C-N 3.32Å; Q275-R277 PolarHBondContact O-N 3.45Å
276R42.9Very low58.2Low216 Ų216115 Ų11582%0.81557%0.567SS**  trans-80.584.6168.2-94.1-175.6150.3-179.6-6.8111.4N274N274-R276 VanDerWaalsContact C-N 3.29Å; N274-R276 PolarHBondContact O-N 2.92Å
277R44.9Very low55.8Low208 Ų208124 Ų12479%0.78559%0.591SS**  trans-55.7138.9-179.1-71165.2170.3-179.3-3.5113.2Q275 L279Q275-R277 VanDerWaalsContact C-N 3.32Å; Q275-R277 PolarHBondContact O-N 3.45Å; R277-L279 PolarHBondContact O-N 3.36Å
278K51.3Low53.7Low197 Ų197129.9 Ų129.986%0.85761%0.613SS**SBendtrans67.9-32.1160.8-62.8-176178.2-176.80120.5N280K278-N280 PolarHBondContact O-N 3.14Å
279L48.5Very low51.3Low97 Ų97134.4 Ų134.451%0.50864%0.644SS.*THydrogen-bonded Turntrans-72.2-24.1-170-78151.3000115.3Q238 R277Q238-L279 HydrophobicContact CG-CD1 4.2Å; R277-L279 PolarHBondContact O-N 3.36Å
280N50.5Low49.2Very low30 Ų30140.7 Ų140.716%0.1667%0.67CS.*THydrogen-bonded Turntrans-12017.7-174-77.7-28000114.1L229 K278 V282L229-N280 HydrophobicContact CB-CB 4.38Å; L229-N280 HydrophobicContact CD1-CB 4.27Å; L229-N280 HydrophobicContact CG-CB 4.24Å; K278-N280 PolarHBondContact O-N 3.14Å; N280-V282 PolarHBondContact O-N 3.24Å
281A54.4Low47.2Very low59 Ų59143.9 Ų143.949%0.48869%0.692SS.*PPolyproline II helixtrans-72.4122.3-179.600000111.4
282V54.7Low45.4Very low59 Ų59152.6 Ų152.636%0.35873%0.727SS.*PPolyproline II helixtrans-76.5127.5168.4-1770000107.6L229 H257 N280 G284L229-V282 HydrophobicContact CB-CG2 4.37Å; H257-V282 HydrophobicContact CB-CG1 4.36Å; H257-V282 HydrophobicContact CB-CG2 4.33Å; N280-V282 PolarHBondContact O-N 3.24Å; V282-G284 PolarHBondContact O-N 2.81Å
283H49.7Very low44.4Very low147 Ų147144.6 Ų144.668%0.68172%0.72SS**SBendtrans-65.9126.7175.1-81.545.7000109.9
284G40.9Very low43.8Very low63 Ų63140.3 Ų140.365%0.64972%0.724SS**  trans100.778.9163.700000116.4V282V282-G284 PolarHBondContact O-N 2.81Å
285V38.3Very low44Very low122 Ų122137.1 Ų137.174%0.73973%0.727SS**  trans-129.769.2148.4-172.80000107.3R287V285-R287 HydrophobicContact CG1-CG 4.41Å
286E35.8Very low43.8Very low178 Ų178137.9 Ų137.983%0.83274%0.736SS**  trans-89103.7160.5-79.4-178.3173.600107.3R288E286-R288 PolarHBondContact O-N 3.27Å; E286-R288 VanDerWaalsContact O-N 3.17Å
287R31.8Very low44.2Very low224 Ų224134.9 Ų134.985%0.84577%0.772SS**  trans-70.2103.6166.4-64.4-177.3-154.5-173.86.6106.7V285 S289V285-R287 HydrophobicContact CG1-CG 4.41Å; R287-S289 PolarHBondContact O-N 3.45Å; R287-S289 VanDerWaalsContact O-N 3.11Å
288R33.5Very low44.2Very low240 Ų240131.2 Ų131.291%0.90677%0.772SS**  trans-73.896.9161.1-79.5-174.7177.6-1390.3108.1E286E286-R288 PolarHBondContact O-N 3.27Å; E286-R288 VanDerWaalsContact O-N 3.17Å
289S33.8Very low43.8Very low102 Ų102127.7 Ų127.771%0.71377%0.767SS**  trans-97.5116.1158.144.80000107.2R287R287-S289 PolarHBondContact O-N 3.45Å; R287-S289 VanDerWaalsContact O-N 3.11Å
290E41.2Very low43.6Very low184 Ų184129.4 Ų129.486%0.8678%0.782SS**  trans-165.4158.9170.1-114171.4-155.500109.6
291P41.2Very low43.2Very low119 Ų119135.3 Ų135.377%0.77382%0.818SS**  -114.4170.8-103.629.9-13.5000114.5
292K39.1Very low42.5Very low220 Ų220140.1 Ų140.196%0.95784%0.839SS**  trans-62.8130.6168.6-74.4-177.8172.1-176.70111.3
293G46.5Very low41.6Very low75 Ų75145.5 Ų145.577%0.77387%0.871SS**  trans-174.6120.3159.200000105.4
294G42.2Very low41.1Very low90 Ų90145.4 Ų145.493%0.92888%0.884SS**  cis96.4103.948.300000107.2
295G53.4Low41.1Very low84 Ų84151.7 Ų151.787%0.86690%0.902SS**  trans162.8104.2175.800000113.6
296D46Very low41.3Very low182 Ų182154.2 Ų154.297%0.97392%0.916SS**  trans-55.7153.2172.7-90.8-40.5000114.3
297G51.2Low41.8Very low152 Ų152152 Ų152100%1.56792%0.924SS**  trans-170.10165.200000109.4

Retrieved 297 of 297 residues in 55.8 ms (Link to these results)

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