A0A077ZL60_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZL60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M80.3Confident90.2Very high103 Ų10381.8 Ų81.851%0.50743%0.428SS..  01420-92.1-174.8153.900109.3Q5 V6 F39 L41M1-Q5 VanDerWaalsContact CA-OE1 3.3Å; M1-Q5 HydrophobicContact CB-CB 4.24Å; M1-Q5 HydrophobicContact CE-CB 4.08Å; M1-Q5 HydrophobicContact CG-CB 4Å; M1-Q5 HydrophobicContact SD-CB 4.2Å; M1-V6 HydrophobicContact CB-CG2 3.73Å; M1-V6 HydrophobicContact SD-CG2 3.98Å; M1-F39 WeakPolarHBondContact CE-O 3.06Å; M1-L41 HydrophobicContact SD-CD2 3.87Å
2N87.5Confident90.5Very high69 Ų6988.9 Ų88.937%0.36945%0.445SS..  trans-77.8164.5167.674.17.4000110.2E4 Q5 V6N2-E4 VanDerWaalsContact C-N 3.28Å; N2-E4 PolarHBondContact O-N 3.45Å; N2-E4 PolarHBondContact OD1-N 3.09Å; N2-Q5 PolarHBondContact O-N 3.24Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.34Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.33Å; N2-Q5 PolarHBondContact OD1-N 3.22Å; N2-Q5 PolarHBondContact OD1-OE1 3.24Å; N2-V6 PolarHBondContact O-N 3.39Å
3P88.7Confident90.8Very high112 Ų11282.6 Ų82.673%0.72741%0.413SS*.Hα-helixtrans-58.5-35.1-178.3-27.336.3000114.4V6 A7P3-V6 PolarHBondContact O-N 2.99Å; P3-A7 WeakPolarHBondContact O-CB 3.42Å; P3-A7 PolarHBondContact O-N 2.77Å
4E91.4Very high91.1Very high155 Ų15583.2 Ų83.272%0.72443%0.429SS*.Hα-helixtrans-65.9-42.1178.9-65.1179.1166.900112.3N2 V6 A7 L8N2-E4 VanDerWaalsContact C-N 3.28Å; N2-E4 PolarHBondContact O-N 3.45Å; N2-E4 PolarHBondContact OD1-N 3.09Å; E4-V6 VanDerWaalsContact C-N 3.34Å; E4-A7 PolarHBondContact O-N 3Å; E4-L8 WeakPolarHBondContact O-CB 3.46Å; E4-L8 PolarHBondContact O-N 2.7Å
5Q91.2Very high91.4Very high96 Ų9678.9 Ų78.945%0.44941%0.406SS..Hα-helixtrans-62.7-42.1175.5-76167.5-20.600111.3M1 N2 L8 A9M1-Q5 VanDerWaalsContact CA-OE1 3.3Å; M1-Q5 HydrophobicContact CB-CB 4.24Å; M1-Q5 HydrophobicContact CE-CB 4.08Å; M1-Q5 HydrophobicContact CG-CB 4Å; M1-Q5 HydrophobicContact SD-CB 4.2Å; N2-Q5 PolarHBondContact O-N 3.24Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.34Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.33Å; N2-Q5 PolarHBondContact OD1-N 3.22Å; N2-Q5 PolarHBondContact OD1-OE1 3.24Å; Q5-L8 PolarHBondContact O-N 2.92Å; Q5-A9 WeakPolarHBondContact O-CB 3.37Å; Q5-A9 PolarHBondContact O-N 3.36Å
6V91.5Very high91.7Very high15 Ų1581.4 Ų81.49%0.09142%0.42CS..Hα-helixtrans-63.4-46.8176.5176.80000110.5M1 N2 P3 E4 L8 A9 Q10 L41 T47 A50M1-V6 HydrophobicContact CB-CG2 3.73Å; M1-V6 HydrophobicContact SD-CG2 3.98Å; N2-V6 PolarHBondContact O-N 3.39Å; P3-V6 PolarHBondContact O-N 2.99Å; E4-V6 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.36Å; V6-A9 WeakPolarHBondContact O-CB 3.39Å; V6-A9 PolarHBondContact O-N 3.38Å; V6-Q10 WeakPolarHBondContact O-CG 3.2Å; V6-Q10 PolarHBondContact O-N 3.4Å; V6-L41 HydrophobicContact CG1-CD2 4.12Å; V6-L41 HydrophobicContact CG2-CD2 4.29Å; V6-T47 HydrophobicContact CG2-CG2 4.22Å; V6-A50 HydrophobicContact CG1-CB 3.48Å; V6-A50 VanDerWaalsContact CG1-CB 3.48Å
7A91.7Very high92Very high40 Ų4080.6 Ų80.633%0.33142%0.423SS..Hα-helixtrans-61.6-43.8179.200000112.1P3 E4 A9 Q10 Q11P3-A7 WeakPolarHBondContact O-CB 3.42Å; P3-A7 PolarHBondContact O-N 2.77Å; E4-A7 PolarHBondContact O-N 3Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.37Å; A7-Q10 PolarHBondContact O-N 3.23Å; A7-Q11 WeakPolarHBondContact O-CG 3.5Å; A7-Q11 PolarHBondContact O-N 2.97Å
8L92.7Very high92.2Very high78 Ų7876.4 Ų76.441%0.40840%0.401SS..Hα-helixtrans-63.1-40.4176.5-176.664.4000111.9E4 Q5 V6 Q11 R12E4-L8 WeakPolarHBondContact O-CB 3.46Å; E4-L8 PolarHBondContact O-N 2.7Å; Q5-L8 PolarHBondContact O-N 2.92Å; V6-L8 PolarHBondContact O-N 3.36Å; L8-Q11 PolarHBondContact O-N 3.11Å; L8-R12 WeakPolarHBondContact O-CG 3.38Å; L8-R12 PolarHBondContact O-N 3.45Å
9A92.4Very high92.3Very high6 Ų677.1 Ų77.15%0.0540%0.402CS..Hα-helixtrans-61.4-46.8174.900000111.5Q5 V6 A7 Q11 R12 F13 F39 L41Q5-A9 WeakPolarHBondContact O-CB 3.37Å; Q5-A9 PolarHBondContact O-N 3.36Å; V6-A9 WeakPolarHBondContact O-CB 3.39Å; V6-A9 PolarHBondContact O-N 3.38Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.37Å; A9-Q11 VanDerWaalsContact C-N 3.33Å; A9-Q11 PolarHBondContact O-N 3.29Å; A9-R12 PolarHBondContact O-N 3.41Å; A9-F13 PolarHBondContact O-N 3.37Å; A9-F39 HydrophobicContact CB-CB 4.04Å; A9-F39 HydrophobicContact CB-CD1 3.96Å; A9-F39 HydrophobicContact CB-CG 4.36Å; A9-L41 HydrophobicContact CB-CD1 3.93Å; A9-L41 HydrophobicContact CB-CD2 4.33Å; A9-L41 HydrophobicContact CB-CG 4.22Å
10Q92.2Very high92.3Very high66 Ų6675.7 Ų75.731%0.30840%0.398SS..Hα-helixtrans-61.3-38.9177.9-70.3-179.9-74.100112.9V6 A7 R12 F13 A50 L54V6-Q10 WeakPolarHBondContact O-CG 3.2Å; V6-Q10 PolarHBondContact O-N 3.4Å; A7-Q10 PolarHBondContact O-N 3.23Å; Q10-R12 VanDerWaalsContact C-N 3.29Å; Q10-R12 PolarHBondContact O-N 3.48Å; Q10-F13 PolarHBondContact O-N 3.04Å; Q10-A50 HydrophobicContact CG-CB 3.99Å; Q10-L54 HydrophobicContact CB-CD2 4.43Å; Q10-L54 HydrophobicContact CG-CD1 4.3Å; Q10-L54 HydrophobicContact CG-CD2 4.35Å; Q10-L54 HydrophobicContact CG-CG 4.3Å
11Q92.1Very high92.2Very high160 Ų16077.1 Ų77.175%0.74841%0.414SS*.Hα-helixtrans-64.9-33177.7-73.5176.214.100112.9A7 L8 A9A7-Q11 WeakPolarHBondContact O-CG 3.5Å; A7-Q11 PolarHBondContact O-N 2.97Å; L8-Q11 PolarHBondContact O-N 3.11Å; A9-Q11 VanDerWaalsContact C-N 3.33Å; A9-Q11 PolarHBondContact O-N 3.29Å
12R93.9Very high92.7Very high167 Ų16776.8 Ų76.863%0.6342%0.422SS*.Hα-helixtrans-88-12-179.9-68.5177.1176.2179.2-0.8113.2L8 A9 Q10 S14 F39L8-R12 WeakPolarHBondContact O-CG 3.38Å; L8-R12 PolarHBondContact O-N 3.45Å; A9-R12 PolarHBondContact O-N 3.41Å; Q10-R12 VanDerWaalsContact C-N 3.29Å; Q10-R12 PolarHBondContact O-N 3.48Å; R12-S14 PolarHBondContact O-N 3.47Å; R12-S14 VanDerWaalsContact O-N 3.12Å; R12-F39 HydrophobicContact CB-CE1 3.69Å; R12-F39 HydrophobicContact CB-CZ 4.13Å
13F95.3Very high92.8Very high7 Ų775.6 Ų75.63%0.03141%0.414CS..  trans-70.6108.1-174.5-162.8-84.7000111.3A9 Q10 F15 F32 E35 L36 F39 L54 K58A9-F13 PolarHBondContact O-N 3.37Å; Q10-F13 PolarHBondContact O-N 3.04Å; F13-F15 HydrophobicContact CD1-CB 4.19Å; F13-F15 HydrophobicContact CE1-CB 3.56Å; F13-F15 HydrophobicContact CE1-CG 4.19Å; F13-F15 HydrophobicContact CZ-CB 4.32Å; F13-F32 HydrophobicContact CE1-CD2 4.17Å; F13-F32 AromaticContact CE1-CE2 3.63Å; F13-F32 HydrophobicContact CE1-CE2 3.63Å; F13-F32 HydrophobicContact CE1-CZ 4.41Å; F13-F32 HydrophobicContact CZ-CD2 4.05Å; F13-F32 AromaticContact CZ-CE2 3.71Å; F13-F32 HydrophobicContact CZ-CE2 3.71Å; F13-F32 HydrophobicContact CZ-CZ 4.28Å; F13-E35 HydrophobicContact CD2-CG 4.25Å; F13-E35 HydrophobicContact CE1-CG 4.43Å; F13-E35 HydrophobicContact CE2-CB 3.94Å; F13-E35 HydrophobicContact CE2-CG 3.52Å; F13-E35 HydrophobicContact CZ-CB 3.86Å; F13-E35 HydrophobicContact CZ-CG 3.64Å; F13-L36 HydrophobicContact CE2-CD2 3.75Å; F13-L36 HydrophobicContact CE2-CG 4.25Å; F13-L36 HydrophobicContact CZ-CD2 4.06Å; F13-L36 HydrophobicContact CZ-CG 4.37Å; F13-F39 AromaticContact CD2-CD2 3.52Å; F13-F39 HydrophobicContact CD2-CD2 3.52Å; F13-F39 AromaticContact CD2-CE2 3.83Å; F13-F39 HydrophobicContact CD2-CE2 3.83Å; F13-F39 HydrophobicContact CD2-CG 4.24Å; F13-F39 AromaticContact CE2-CD2 3.98Å; F13-F39 HydrophobicContact CE2-CD2 3.98Å; F13-F39 HydrophobicContact CE2-CE2 4.42Å; F13-L54 HydrophobicContact CB-CD1 4.28Å; F13-L54 HydrophobicContact CB-CD2 3.69Å; F13-L54 HydrophobicContact CD1-CD1 4.21Å; F13-L54 HydrophobicContact CD1-CD2 3.69Å; F13-L54 HydrophobicContact CD1-CG 4.36Å; F13-L54 HydrophobicContact CD2-CD1 3.78Å; F13-L54 HydrophobicContact CE1-CD2 4.46Å; F13-L54 HydrophobicContact CE2-CD1 4.12Å; F13-L54 HydrophobicContact CG-CD1 3.82Å; F13-L54 HydrophobicContact CG-CD2 3.71Å; F13-L54 HydrophobicContact CG-CG 4.33Å; F13-L54 HydrophobicContact CZ-CD1 4.47Å; F13-K58 HydrophobicContact CD1-CG 4.26Å; F13-K58 HydrophobicContact CE1-CG 4.1Å; F13-K58 VanDerWaalsContact O-CE 3.29Å; F13-K58 WeakPolarHBondContact O-CE 3.34Å; F13-K58 PolarHBondContact O-NZ 3.17Å
14S94Very high92.9Very high91 Ų9174.5 Ų74.564%0.63640%0.4SS*.  trans-115.3129.2174.1-169.90000109.2R12R12-S14 PolarHBondContact O-N 3.47Å; R12-S14 VanDerWaalsContact O-N 3.12Å
15F96.4Very high92.9Very high19 Ų1967.6 Ų67.68%0.08337%0.367CS..  trans-157.6138.9-177-162.2-99.4000109.7F13 Y28 R31 F32 E35 K58F13-F15 HydrophobicContact CD1-CB 4.19Å; F13-F15 HydrophobicContact CE1-CB 3.56Å; F13-F15 HydrophobicContact CE1-CG 4.19Å; F13-F15 HydrophobicContact CZ-CB 4.32Å; F15-Y28 HydrophobicContact CD1-CE2 4.12Å; F15-Y28 HydrophobicContact CE1-CD2 4.11Å; F15-Y28 HydrophobicContact CE1-CE1 4.45Å; F15-Y28 AromaticContact CE1-CE2 3.54Å; F15-Y28 HydrophobicContact CE1-CE2 3.54Å; F15-Y28 AromaticContact CE1-CZ 3.73Å; F15-R31 HydrophobicContact CE2-CB 4.42Å; F15-R31 HydrophobicContact CE2-CG 3.79Å; F15-R31 HydrophobicContact CZ-CB 3.98Å; F15-R31 HydrophobicContact CZ-CG 3.74Å; F15-F32 AromaticContact CD1-CD2 3.69Å; F15-F32 HydrophobicContact CD1-CD2 3.69Å; F15-F32 HydrophobicContact CE1-CB 3.77Å; F15-F32 AromaticContact CE1-CD2 3.79Å; F15-F32 HydrophobicContact CE1-CD2 3.79Å; F15-F32 HydrophobicContact CE1-CG 4.28Å; F15-F32 HydrophobicContact CE2-CB 4.35Å; F15-F32 HydrophobicContact CG-CD2 4.1Å; F15-F32 HydrophobicContact CZ-CB 3.66Å; F15-F32 HydrophobicContact CZ-CD2 4.25Å; F15-F32 HydrophobicContact CZ-CG 4.47Å; F15-E35 HydrophobicContact CD2-CB 3.86Å; F15-E35 HydrophobicContact CD2-CG 3.93Å; F15-E35 HydrophobicContact CE2-CB 3.92Å; F15-E35 HydrophobicContact CE2-CG 4.46Å; F15-K58 HydrophobicContact CB-CB 4.46Å; F15-K58 HydrophobicContact CB-CD 4.34Å; F15-K58 HydrophobicContact CB-CG 4.08Å; F15-K58 HydrophobicContact CD1-CB 4.48Å
16D96.1Very high92.9Very high118 Ų11865.5 Ų65.563%0.63137%0.366SS*.PPolyproline II helixtrans-70.9153.5-179.8-64-35.9000112.2Y28D16-Y28 WeakPolarHBondContact O-CE2 3.47Å; D16-Y28 PolarHBondContact O-OH 3.17Å
17S96.6Very high92.9Very high68 Ų6870.4 Ų70.448%0.47638%0.384SS..PPolyproline II helixtrans-76155.1178.8-66.50000113.4E19 K58S17-E19 PolarHBondContact O-N 3.37Å; S17-K58 WeakPolarHBondContact CA-O 3.44Å; S17-K58 WeakPolarHBondContact CB-O 3.26Å; S17-K58 PolarHBondContact OG-O 3.45Å
18F96.1Very high93.1Very high5 Ų568.5 Ų68.52%0.02237%0.368CS..PPolyproline II helixtrans-73.1126.5176.5179.6-130.9000110.2P20 E23 W25 Y28 V59 H63 Y92F18-P20 HydrophobicContact CD1-CG 4.34Å; F18-P20 HydrophobicContact CE1-CG 3.76Å; F18-P20 HydrophobicContact CZ-CB 4.28Å; F18-P20 HydrophobicContact CZ-CG 3.96Å; F18-E23 VanDerWaalsContact CE2-O 3.24Å; F18-E23 WeakPolarHBondContact CE2-O 3.43Å; F18-W25 AromaticContact CD1-CE3 3.74Å; F18-W25 HydrophobicContact CD1-CE3 3.74Å; F18-W25 HydrophobicContact CD1-CZ3 4.14Å; F18-W25 HydrophobicContact CD2-CE3 4.32Å; F18-W25 HydrophobicContact CE1-CB 4.32Å; F18-W25 AromaticContact CE1-CE3 3.83Å; F18-W25 HydrophobicContact CE1-CE3 3.83Å; F18-W25 HydrophobicContact CE2-CB 4.33Å; F18-W25 HydrophobicContact CE2-CE3 4.37Å; F18-W25 HydrophobicContact CG-CE3 4.03Å; F18-W25 HydrophobicContact CG-CZ3 4.31Å; F18-W25 HydrophobicContact CZ-CB 3.81Å; F18-W25 HydrophobicContact CZ-CE3 4.16Å; F18-Y28 VanDerWaalsContact CA-CE2 3.47Å; F18-Y28 HydrophobicContact CB-CD1 4.06Å; F18-Y28 HydrophobicContact CB-CD2 3.6Å; F18-Y28 HydrophobicContact CB-CE1 4.02Å; F18-Y28 HydrophobicContact CB-CE2 3.55Å; F18-Y28 HydrophobicContact CB-CG 3.86Å; F18-Y28 HydrophobicContact CD2-CD1 4.34Å; F18-Y28 AromaticContact CD2-CD2 3.78Å; F18-Y28 HydrophobicContact CD2-CD2 3.78Å; F18-Y28 AromaticContact CD2-CG 3.62Å; F18-Y28 HydrophobicContact CD2-CG 3.62Å; F18-Y28 HydrophobicContact CG-CD1 4.3Å; F18-Y28 HydrophobicContact CG-CD2 4.09Å; F18-Y28 HydrophobicContact CG-CE2 4.5Å; F18-Y28 AromaticContact CG-CG 3.98Å; F18-Y28 HydrophobicContact CG-CG 3.98Å; F18-Y28 VanDerWaalsContact N-CE2 3.26Å; F18-V59 HydrophobicContact CB-CG2 4.41Å; F18-V59 PolarHBondContact N-O 3.49Å; F18-H63 AromaticContact CD1-CD2 3.36Å; F18-H63 WeakPolarHBondContact CD1-CD2 3.35Å; F18-H63 AromaticContact CD1-CE1 3.75Å; F18-H63 AromaticContact CD1-CG 3.96Å; F18-H63 AromaticContact CD1-NE2 3.23Å; F18-H63 WeakPolarHBondContact CD1-NE2 3.44Å; F18-H63 AromaticContact CE1-CD2 3.76Å; F18-H63 AromaticContact CE1-NE2 3.52Å; F18-H63 PolarHBondContact O-CE1 3.36Å; F18-Y92 AromaticContact CE1-CD1 3.97Å; F18-Y92 HydrophobicContact CE1-CD1 3.97Å; F18-Y92 AromaticContact CE1-CD2 3.9Å; F18-Y92 HydrophobicContact CE1-CD2 3.9Å; F18-Y92 AromaticContact CE1-CE1 3.98Å; F18-Y92 HydrophobicContact CE1-CE1 3.98Å; F18-Y92 AromaticContact CE1-CE2 3.94Å; F18-Y92 HydrophobicContact CE1-CE2 3.94Å; F18-Y92 AromaticContact CE1-CG 3.92Å; F18-Y92 HydrophobicContact CE1-CG 3.92Å; F18-Y92 AromaticContact CE1-CZ 3.97Å; F18-Y92 HydrophobicContact CZ-CD1 4.13Å; F18-Y92 HydrophobicContact CZ-CE1 4.47Å; F18-Y92 HydrophobicContact CZ-CG 4.19Å
19E94.3Very high93.2Very high89 Ų8965.6 Ų65.642%0.41635%0.353SS..  trans-130.2100.7179.3178.350-120.400109.6S17 S21 S22 E23S17-E19 PolarHBondContact O-N 3.37Å; E19-S21 VanDerWaalsContact CG-OG 3.31Å; E19-S21 WeakPolarHBondContact CG-OG 3.45Å; E19-S21 PolarHBondContact O-N 3.4Å; E19-S21 WeakPolarHBondContact OE1-CB 3.46Å; E19-S21 PolarHBondContact OE1-N 3.48Å; E19-S21 PolarHBondContact OE1-OG 2.76Å; E19-S22 WeakPolarHBondContact CB-OG 3.43Å; E19-S22 PolarHBondContact O-N 2.7Å; E19-S22 PolarHBondContact O-OG 3.16Å; E19-E23 PolarHBondContact O-N 3.31Å; E19-E23 VanDerWaalsContact O-N 3.1Å
20P90.7Very high93.3Very high50 Ų5070.4 Ų70.433%0.32537%0.374SS..THydrogen-bonded Turntrans-59.2-21.5-173.9-25.132.5000114.9F18 S22 H63 Y92F18-P20 HydrophobicContact CD1-CG 4.34Å; F18-P20 HydrophobicContact CE1-CG 3.76Å; F18-P20 HydrophobicContact CZ-CB 4.28Å; F18-P20 HydrophobicContact CZ-CG 3.96Å; P20-S22 PolarHBondContact O-N 3.44Å; P20-H63 VanDerWaalsContact CG-NE2 3.33Å; P20-H63 WeakPolarHBondContact CG-NE2 3.39Å; P20-Y92 HydrophobicContact CB-CD1 4.12Å; P20-Y92 HydrophobicContact CB-CE1 3.73Å; P20-Y92 HydrophobicContact CG-CD1 4.06Å; P20-Y92 HydrophobicContact CG-CE1 3.3Å
21S91.1Very high93.5Very high105 Ų10571.3 Ų71.373%0.73438%0.375SS*.THydrogen-bonded Turntrans-73.7-14.6174.961.50000113.7E19E19-S21 VanDerWaalsContact CG-OG 3.31Å; E19-S21 WeakPolarHBondContact CG-OG 3.45Å; E19-S21 PolarHBondContact O-N 3.4Å; E19-S21 WeakPolarHBondContact OE1-CB 3.46Å; E19-S21 PolarHBondContact OE1-N 3.48Å; E19-S21 PolarHBondContact OE1-OG 2.76Å
22S90.4Very high93.8Very high96 Ų9663.7 Ų63.767%0.67134%0.339SS*.THydrogen-bonded Turntrans-120.1-30.6-173.669.80000114.5E19 P20E19-S22 WeakPolarHBondContact CB-OG 3.43Å; E19-S22 PolarHBondContact O-N 2.7Å; E19-S22 PolarHBondContact O-OG 3.16Å; P20-S22 PolarHBondContact O-N 3.44Å
23E90.8Very high94Very high44 Ų4457 Ų5721%0.20632%0.315CS..SBendtrans-140.5141.5-173.6-172172.9-150.400109.4F18 E19 Y27 Y28 R31F18-E23 VanDerWaalsContact CE2-O 3.24Å; F18-E23 WeakPolarHBondContact CE2-O 3.43Å; E19-E23 PolarHBondContact O-N 3.31Å; E19-E23 VanDerWaalsContact O-N 3.1Å; E23-Y27 VanDerWaalsContact OE1-C 3.31Å; E23-Y28 WeakPolarHBondContact OE1-CA 3.37Å; E23-Y28 PolarHBondContact OE1-N 3.33Å; E23-R31 IonicContact OE1-NE 3.06Å; E23-R31 PolarHBondContact OE1-NE 2.9Å; E23-R31 IonicContact OE1-NH2 3.99Å; E23-R31 IonicContact OE2-CZ 3.81Å; E23-R31 IonicContact OE2-NE 2.62Å; E23-R31 IonicContact OE2-NH2 3.29Å; E23-R31 PolarHBondContact OE2-NH2 2.94Å
24E89.1Confident94Very high90 Ų9059.9 Ų59.942%0.42134%0.335SS..  trans-76.8146169.2-57.7-174-129.100109.9A26 Y27 Y28 K129E24-A26 PolarHBondContact O-N 3.13Å; E24-A26 VanDerWaalsContact O-N 3.09Å; E24-Y27 HydrophobicContact CB-CD2 3.76Å; E24-Y27 HydrophobicContact CB-CE2 4.14Å; E24-Y27 HydrophobicContact CG-CD2 4.18Å; E24-Y27 HydrophobicContact CG-CE2 4.16Å; E24-Y27 PolarHBondContact O-N 2.92Å; E24-Y28 PolarHBondContact O-N 2.89Å; E24-K129 IonicContact OE1-NZ 3.66Å; E24-K129 PolarHBondContact OE1-NZ 3.39Å; E24-K129 IonicContact OE2-NZ 3.37Å; E24-K129 PolarHBondContact OE2-NZ 3.34Å
25W92.7Very high94.2Very high9 Ų958.4 Ų58.43%0.03432%0.318CS..Hα-helixtrans-52.6-37.5-178.7172-109.8000113.5F18 Y27 Y28 I29 L55 V59 I88 Y92F18-W25 AromaticContact CD1-CE3 3.74Å; F18-W25 HydrophobicContact CD1-CE3 3.74Å; F18-W25 HydrophobicContact CD1-CZ3 4.14Å; F18-W25 HydrophobicContact CD2-CE3 4.32Å; F18-W25 HydrophobicContact CE1-CB 4.32Å; F18-W25 AromaticContact CE1-CE3 3.83Å; F18-W25 HydrophobicContact CE1-CE3 3.83Å; F18-W25 HydrophobicContact CE2-CB 4.33Å; F18-W25 HydrophobicContact CE2-CE3 4.37Å; F18-W25 HydrophobicContact CG-CE3 4.03Å; F18-W25 HydrophobicContact CG-CZ3 4.31Å; F18-W25 HydrophobicContact CZ-CB 3.81Å; F18-W25 HydrophobicContact CZ-CE3 4.16Å; W25-Y27 VanDerWaalsContact C-N 3.33Å; W25-Y27 PolarHBondContact O-N 3.26Å; W25-Y28 AromaticContact CE3-CD1 3.79Å; W25-Y28 HydrophobicContact CE3-CD1 3.79Å; W25-Y28 HydrophobicContact CE3-CG 4.4Å; W25-Y28 HydrophobicContact CH2-CD1 4.09Å; W25-Y28 HydrophobicContact CH2-CE1 4.29Å; W25-Y28 AromaticContact CZ3-CD1 3.36Å; W25-Y28 HydrophobicContact CZ3-CD1 3.36Å; W25-Y28 AromaticContact CZ3-CE1 3.73Å; W25-Y28 HydrophobicContact CZ3-CE1 3.73Å; W25-Y28 HydrophobicContact CZ3-CG 4.33Å; W25-Y28 PolarHBondContact O-N 3.39Å; W25-I29 HydrophobicContact CH2-CD1 4.12Å; W25-I29 HydrophobicContact CZ2-CB 4.23Å; W25-I29 HydrophobicContact CZ2-CD1 4.05Å; W25-I29 HydrophobicContact CZ2-CG1 4.24Å; W25-I29 WeakPolarHBondContact O-CG2 3.34Å; W25-I29 PolarHBondContact O-N 3.23Å; W25-L55 HydrophobicContact CH2-CD1 4.24Å; W25-V59 HydrophobicContact CH2-CG2 4.45Å; W25-V59 HydrophobicContact CZ3-CG2 4.09Å; W25-I88 HydrophobicContact CD2-CB 4.24Å; W25-I88 HydrophobicContact CD2-CG2 3.41Å; W25-I88 VanDerWaalsContact CD2-CG2 3.41Å; W25-I88 HydrophobicContact CE3-CB 4.46Å; W25-I88 HydrophobicContact CE3-CG2 3.44Å; W25-I88 VanDerWaalsContact CE3-CG2 3.44Å; W25-I88 HydrophobicContact CG-CG2 4.09Å; W25-I88 HydrophobicContact CH2-CB 3.93Å; W25-I88 HydrophobicContact CH2-CD1 3.43Å; W25-I88 VanDerWaalsContact CH2-CD1 3.43Å; W25-I88 HydrophobicContact CH2-CG1 4.29Å; W25-I88 HydrophobicContact CH2-CG2 3.74Å; W25-I88 HydrophobicContact CZ2-CB 3.69Å; W25-I88 HydrophobicContact CZ2-CD1 3.96Å; W25-I88 HydrophobicContact CZ2-CG1 4.43Å; W25-I88 HydrophobicContact CZ2-CG2 3.73Å; W25-I88 HydrophobicContact CZ3-CB 4.31Å; W25-I88 HydrophobicContact CZ3-CD1 3.94Å; W25-I88 HydrophobicContact CZ3-CG2 3.61Å; W25-Y92 HydrophobicContact CB-CG 4.34Å
26A90Very high94.2Very high53 Ų5357.5 Ų57.544%0.43831%0.314SS..Hα-helixtrans-59.8-40.3177.700000112.7E24 I29 E30E24-A26 PolarHBondContact O-N 3.13Å; E24-A26 VanDerWaalsContact O-N 3.09Å; A26-I29 WeakPolarHBondContact O-CG2 3.27Å; A26-E30 WeakPolarHBondContact O-CB 3.47Å; A26-E30 VanDerWaalsContact O-CG 3.25Å; A26-E30 WeakPolarHBondContact O-CG 3.33Å; A26-E30 PolarHBondContact O-N 2.85Å
27Y91.6Very high94.2Very high117 Ų11754 Ų5446%0.45930%0.302SS..Hα-helixtrans-74.6-38.9178.1-61.6-56.7000111.9E23 E24 W25 I29 E30 R31E23-Y27 VanDerWaalsContact OE1-C 3.31Å; E24-Y27 HydrophobicContact CB-CD2 3.76Å; E24-Y27 HydrophobicContact CB-CE2 4.14Å; E24-Y27 HydrophobicContact CG-CD2 4.18Å; E24-Y27 HydrophobicContact CG-CE2 4.16Å; E24-Y27 PolarHBondContact O-N 2.92Å; W25-Y27 VanDerWaalsContact C-N 3.33Å; W25-Y27 PolarHBondContact O-N 3.26Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 3.39Å; Y27-E30 PolarHBondContact O-N 3.24Å; Y27-R31 WeakPolarHBondContact O-CB 3.35Å; Y27-R31 PolarHBondContact O-N 3.41Å
28Y96Very high94.1Very high0 Ų056.1 Ų56.10%031%0.312CS..Hα-helixtrans-57.1-49176.1176.7-92000111.4F15 D16 F18 E23 E24 W25 R31 F32 L55 K58 V59F15-Y28 HydrophobicContact CD1-CE2 4.12Å; F15-Y28 HydrophobicContact CE1-CD2 4.11Å; F15-Y28 HydrophobicContact CE1-CE1 4.45Å; F15-Y28 AromaticContact CE1-CE2 3.54Å; F15-Y28 HydrophobicContact CE1-CE2 3.54Å; F15-Y28 AromaticContact CE1-CZ 3.73Å; D16-Y28 WeakPolarHBondContact O-CE2 3.47Å; D16-Y28 PolarHBondContact O-OH 3.17Å; F18-Y28 VanDerWaalsContact CA-CE2 3.47Å; F18-Y28 HydrophobicContact CB-CD1 4.06Å; F18-Y28 HydrophobicContact CB-CD2 3.6Å; F18-Y28 HydrophobicContact CB-CE1 4.02Å; F18-Y28 HydrophobicContact CB-CE2 3.55Å; F18-Y28 HydrophobicContact CB-CG 3.86Å; F18-Y28 HydrophobicContact CD2-CD1 4.34Å; F18-Y28 AromaticContact CD2-CD2 3.78Å; F18-Y28 HydrophobicContact CD2-CD2 3.78Å; F18-Y28 AromaticContact CD2-CG 3.62Å; F18-Y28 HydrophobicContact CD2-CG 3.62Å; F18-Y28 HydrophobicContact CG-CD1 4.3Å; F18-Y28 HydrophobicContact CG-CD2 4.09Å; F18-Y28 HydrophobicContact CG-CE2 4.5Å; F18-Y28 AromaticContact CG-CG 3.98Å; F18-Y28 HydrophobicContact CG-CG 3.98Å; F18-Y28 VanDerWaalsContact N-CE2 3.26Å; E23-Y28 WeakPolarHBondContact OE1-CA 3.37Å; E23-Y28 PolarHBondContact OE1-N 3.33Å; E24-Y28 PolarHBondContact O-N 2.89Å; W25-Y28 AromaticContact CE3-CD1 3.79Å; W25-Y28 HydrophobicContact CE3-CD1 3.79Å; W25-Y28 HydrophobicContact CE3-CG 4.4Å; W25-Y28 HydrophobicContact CH2-CD1 4.09Å; W25-Y28 HydrophobicContact CH2-CE1 4.29Å; W25-Y28 AromaticContact CZ3-CD1 3.36Å; W25-Y28 HydrophobicContact CZ3-CD1 3.36Å; W25-Y28 AromaticContact CZ3-CE1 3.73Å; W25-Y28 HydrophobicContact CZ3-CE1 3.73Å; W25-Y28 HydrophobicContact CZ3-CG 4.33Å; W25-Y28 PolarHBondContact O-N 3.39Å; Y28-R31 PolarHBondContact O-N 3.27Å; Y28-F32 VanDerWaalsContact O-CB 3.3Å; Y28-F32 WeakPolarHBondContact O-CB 3.32Å; Y28-F32 PolarHBondContact O-N 3.42Å; Y28-L55 HydrophobicContact CE1-CD1 4.36Å; Y28-K58 PolarHBondContact OH-O 3.05Å; Y28-V59 WeakPolarHBondContact OH-CA 3.37Å; Y28-V59 PolarHBondContact OH-N 2.98Å
29I95.8Very high94.1Very high17 Ų1757.9 Ų57.99%0.08732%0.32CS..Hα-helixtrans-70.7-37.6-175.7-16259.7000111.9W25 A26 Y27 F32 E33 L55 K85W25-I29 HydrophobicContact CH2-CD1 4.12Å; W25-I29 HydrophobicContact CZ2-CB 4.23Å; W25-I29 HydrophobicContact CZ2-CD1 4.05Å; W25-I29 HydrophobicContact CZ2-CG1 4.24Å; W25-I29 WeakPolarHBondContact O-CG2 3.34Å; W25-I29 PolarHBondContact O-N 3.23Å; A26-I29 WeakPolarHBondContact O-CG2 3.27Å; Y27-I29 VanDerWaalsContact C-N 3.34Å; Y27-I29 PolarHBondContact O-N 3.39Å; I29-F32 HydrophobicContact CD1-CB 4.47Å; I29-F32 HydrophobicContact CD1-CD1 4.09Å; I29-F32 PolarHBondContact O-N 3.04Å; I29-E33 WeakPolarHBondContact O-CB 3.38Å; I29-E33 WeakPolarHBondContact O-CG 3.42Å; I29-E33 PolarHBondContact O-N 3.23Å; I29-L55 HydrophobicContact CD1-CD1 4.21Å; I29-K85 HydrophobicContact CD1-CD 3.7Å; I29-K85 HydrophobicContact CD1-CG 3.83Å; I29-K85 HydrophobicContact CG1-CD 3.58Å; I29-K85 HydrophobicContact CG1-CG 4.08Å
30E94.6Very high94.1Very high107 Ų10755.8 Ų55.850%0.532%0.321SS..Hα-helixtrans-61.2-46.8173.5-76.1-67.715500111.5A26 Y27 F32 E33 C34A26-E30 WeakPolarHBondContact O-CB 3.47Å; A26-E30 VanDerWaalsContact O-CG 3.25Å; A26-E30 WeakPolarHBondContact O-CG 3.33Å; A26-E30 PolarHBondContact O-N 2.85Å; Y27-E30 PolarHBondContact O-N 3.24Å; E30-F32 VanDerWaalsContact C-N 3.32Å; E30-F32 PolarHBondContact O-N 2.97Å; E30-E33 PolarHBondContact O-N 2.97Å; E30-C34 PolarHBondContact O-N 3.22Å; E30-C34 PolarHBondContact O-SG 3.5Å
31R96.7Very high94.3Very high85 Ų8553.4 Ų53.432%0.32131%0.306SS..Hα-helixtrans-62.5-39.8175.9-173.5175.454.590-2.8111.6F15 E23 Y27 Y28 C34 E35F15-R31 HydrophobicContact CE2-CB 4.42Å; F15-R31 HydrophobicContact CE2-CG 3.79Å; F15-R31 HydrophobicContact CZ-CB 3.98Å; F15-R31 HydrophobicContact CZ-CG 3.74Å; E23-R31 IonicContact OE1-NE 3.06Å; E23-R31 PolarHBondContact OE1-NE 2.9Å; E23-R31 IonicContact OE1-NH2 3.99Å; E23-R31 IonicContact OE2-CZ 3.81Å; E23-R31 IonicContact OE2-NE 2.62Å; E23-R31 IonicContact OE2-NH2 3.29Å; E23-R31 PolarHBondContact OE2-NH2 2.94Å; Y27-R31 WeakPolarHBondContact O-CB 3.35Å; Y27-R31 PolarHBondContact O-N 3.41Å; Y28-R31 PolarHBondContact O-N 3.27Å; R31-C34 WeakPolarHBondContact O-CB 3.46Å; R31-C34 PolarHBondContact O-N 2.93Å; R31-E35 PolarHBondContact O-N 3.45Å
32F97.6Very high94.4Very high0 Ų053.2 Ų53.20%029%0.289CS..Hα-helixtrans-64.7-43177.4-179.4-97.6000111.6F13 F15 Y28 I29 E30 E35 L36 L54 L55 K58 Y81F13-F32 HydrophobicContact CE1-CD2 4.17Å; F13-F32 AromaticContact CE1-CE2 3.63Å; F13-F32 HydrophobicContact CE1-CE2 3.63Å; F13-F32 HydrophobicContact CE1-CZ 4.41Å; F13-F32 HydrophobicContact CZ-CD2 4.05Å; F13-F32 AromaticContact CZ-CE2 3.71Å; F13-F32 HydrophobicContact CZ-CE2 3.71Å; F13-F32 HydrophobicContact CZ-CZ 4.28Å; F15-F32 AromaticContact CD1-CD2 3.69Å; F15-F32 HydrophobicContact CD1-CD2 3.69Å; F15-F32 HydrophobicContact CE1-CB 3.77Å; F15-F32 AromaticContact CE1-CD2 3.79Å; F15-F32 HydrophobicContact CE1-CD2 3.79Å; F15-F32 HydrophobicContact CE1-CG 4.28Å; F15-F32 HydrophobicContact CE2-CB 4.35Å; F15-F32 HydrophobicContact CG-CD2 4.1Å; F15-F32 HydrophobicContact CZ-CB 3.66Å; F15-F32 HydrophobicContact CZ-CD2 4.25Å; F15-F32 HydrophobicContact CZ-CG 4.47Å; Y28-F32 VanDerWaalsContact O-CB 3.3Å; Y28-F32 WeakPolarHBondContact O-CB 3.32Å; Y28-F32 PolarHBondContact O-N 3.42Å; I29-F32 HydrophobicContact CD1-CB 4.47Å; I29-F32 HydrophobicContact CD1-CD1 4.09Å; I29-F32 PolarHBondContact O-N 3.04Å; E30-F32 VanDerWaalsContact C-N 3.32Å; E30-F32 PolarHBondContact O-N 2.97Å; F32-E35 WeakPolarHBondContact O-CB 3.43Å; F32-E35 PolarHBondContact O-N 3.1Å; F32-L36 HydrophobicContact CD1-CD1 3.82Å; F32-L36 HydrophobicContact CD1-CG 4.22Å; F32-L36 HydrophobicContact CE1-CD1 3.43Å; F32-L36 VanDerWaalsContact CE1-CD1 3.43Å; F32-L36 HydrophobicContact CE1-CD2 4.28Å; F32-L36 HydrophobicContact CE1-CG 3.89Å; F32-L36 HydrophobicContact CZ-CD1 4.21Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4.27Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 3.38Å; F32-L54 HydrophobicContact CE2-CB 4.37Å; F32-L54 HydrophobicContact CZ-CB 3.85Å; F32-L55 HydrophobicContact CD1-CD1 4.33Å; F32-L55 HydrophobicContact CE1-CB 4.03Å; F32-L55 HydrophobicContact CE1-CD1 4.14Å; F32-L55 HydrophobicContact CZ-CB 3.94Å; F32-L55 HydrophobicContact CZ-CD1 4.35Å; F32-K58 HydrophobicContact CE2-CB 4.22Å; F32-K58 HydrophobicContact CE2-CG 4.33Å; F32-Y81 AromaticContact CE1-CE2 3.92Å; F32-Y81 HydrophobicContact CE1-CE2 3.92Å
33E97.1Very high94.5Very high27 Ų2754.3 Ų54.313%0.12629%0.288CS..Hα-helixtrans-69.8-32177.3-72.1-172.6171.700112.9I29 E30 L36 A37 Y81 K85I29-E33 WeakPolarHBondContact O-CB 3.38Å; I29-E33 WeakPolarHBondContact O-CG 3.42Å; I29-E33 PolarHBondContact O-N 3.23Å; E30-E33 PolarHBondContact O-N 2.97Å; E33-L36 PolarHBondContact O-N 3.22Å; E33-A37 PolarHBondContact O-N 3.49Å; E33-Y81 WeakPolarHBondContact CG-OH 3.26Å; E33-Y81 PolarHBondContact OE1-OH 3.04Å; E33-Y81 VanDerWaalsContact OE1-OH 3.09Å; E33-K85 IonicContact OE1-NZ 2.64Å; E33-K85 PolarHBondContact OE1-NZ 3.43Å
34C96.9Very high94.6Very high67 Ų6754.3 Ų54.345%0.45330%0.299SS..Hα-helixtrans-61.9-45.1169-70.10000111.2E30 R31 A37 V38E30-C34 PolarHBondContact O-N 3.22Å; E30-C34 PolarHBondContact O-SG 3.5Å; R31-C34 WeakPolarHBondContact O-CB 3.46Å; R31-C34 PolarHBondContact O-N 2.93Å; C34-A37 VanDerWaalsContact O-CB 3.28Å; C34-A37 WeakPolarHBondContact O-CB 3.06Å; C34-A37 PolarHBondContact O-N 3.45Å; C34-A37 VanDerWaalsContact O-N 3.1Å; C34-V38 PolarHBondContact O-N 2.95Å
35E97Very high94.8Very high60 Ų6054.4 Ų54.428%0.2832%0.315SS..Hα-helixtrans-63.3-43.1176.3-164.367.1-157.800111.2F13 F15 R31 F32 A37 V38 F39F13-E35 HydrophobicContact CD2-CG 4.25Å; F13-E35 HydrophobicContact CE1-CG 4.43Å; F13-E35 HydrophobicContact CE2-CB 3.94Å; F13-E35 HydrophobicContact CE2-CG 3.52Å; F13-E35 HydrophobicContact CZ-CB 3.86Å; F13-E35 HydrophobicContact CZ-CG 3.64Å; F15-E35 HydrophobicContact CD2-CB 3.86Å; F15-E35 HydrophobicContact CD2-CG 3.93Å; F15-E35 HydrophobicContact CE2-CB 3.92Å; F15-E35 HydrophobicContact CE2-CG 4.46Å; R31-E35 PolarHBondContact O-N 3.45Å; F32-E35 WeakPolarHBondContact O-CB 3.43Å; F32-E35 PolarHBondContact O-N 3.1Å; E35-A37 PolarHBondContact O-N 2.98Å; E35-V38 WeakPolarHBondContact O-CB 3.33Å; E35-V38 PolarHBondContact O-N 3.4Å; E35-V38 VanDerWaalsContact O-N 3.15Å; E35-F39 HydrophobicContact CG-CD2 4.42Å; E35-F39 HydrophobicContact CG-CE2 4.25Å; E35-F39 WeakPolarHBondContact O-CD2 3.4Å; E35-F39 PolarHBondContact O-N 3Å; E35-F39 WeakPolarHBondContact OE1-CE2 3.02Å
36L97.3Very high94.8Very high0 Ų057.6 Ų57.60%034%0.344CS..Hα-helixtrans-57.1-36.2173.1-71.1175.7000112.1F13 F32 E33 F39 G40 L41 R42 R51 L54F13-L36 HydrophobicContact CE2-CD2 3.75Å; F13-L36 HydrophobicContact CE2-CG 4.25Å; F13-L36 HydrophobicContact CZ-CD2 4.06Å; F13-L36 HydrophobicContact CZ-CG 4.37Å; F32-L36 HydrophobicContact CD1-CD1 3.82Å; F32-L36 HydrophobicContact CD1-CG 4.22Å; F32-L36 HydrophobicContact CE1-CD1 3.43Å; F32-L36 VanDerWaalsContact CE1-CD1 3.43Å; F32-L36 HydrophobicContact CE1-CD2 4.28Å; F32-L36 HydrophobicContact CE1-CG 3.89Å; F32-L36 HydrophobicContact CZ-CD1 4.21Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4.27Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 3.38Å; E33-L36 PolarHBondContact O-N 3.22Å; L36-F39 CarbonylContact O-C 3.56Å; L36-F39 PolarHBondContact O-N 3.24Å; L36-G40 PolarHBondContact O-N 3.47Å; L36-L41 HydrophobicContact CB-CB 4.31Å; L36-L41 HydrophobicContact CD2-CB 3.92Å; L36-L41 HydrophobicContact CD2-CD1 4.27Å; L36-L41 PolarHBondContact O-N 3.02Å; L36-R42 HydrophobicContact CB-CB 4.41Å; L36-R42 PolarHBondContact O-N 3.47Å; L36-R51 HydrophobicContact CD1-CB 4.24Å; L36-R51 HydrophobicContact CD1-CG 3.75Å; L36-R51 HydrophobicContact CD2-CG 4.22Å; L36-L54 HydrophobicContact CD2-CD1 3.62Å
37A95.8Very high95Very high45 Ų4555.4 Ų55.437%0.37233%0.325SS..Hα-helixtrans-65.7-40.5177.900000112.3E33 C34 E35 F39 G40 R42E33-A37 PolarHBondContact O-N 3.49Å; C34-A37 VanDerWaalsContact O-CB 3.28Å; C34-A37 WeakPolarHBondContact O-CB 3.06Å; C34-A37 PolarHBondContact O-N 3.45Å; C34-A37 VanDerWaalsContact O-N 3.1Å; E35-A37 PolarHBondContact O-N 2.98Å; A37-F39 PolarHBondContact O-N 3.33Å; A37-G40 PolarHBondContact O-N 3.43Å; A37-R42 HydrophobicContact CB-CB 4.07Å
38V95Very high95.2Very high112 Ų11251.8 Ų51.868%0.67931%0.312SS*.Hα-helixtrans-55.7-38175175.40000110.9C34 E35C34-V38 PolarHBondContact O-N 2.95Å; E35-V38 WeakPolarHBondContact O-CB 3.33Å; E35-V38 PolarHBondContact O-N 3.4Å; E35-V38 VanDerWaalsContact O-N 3.15Å
39F94.9Very high95.1Very high43 Ų4355 Ų5519%0.18933%0.333CS..THydrogen-bonded Turntrans-89.44.2178.8-72.5-77.5000114.6M1 A9 R12 F13 E35 L36 A37 L41M1-F39 WeakPolarHBondContact CE-O 3.06Å; A9-F39 HydrophobicContact CB-CB 4.04Å; A9-F39 HydrophobicContact CB-CD1 3.96Å; A9-F39 HydrophobicContact CB-CG 4.36Å; R12-F39 HydrophobicContact CB-CE1 3.69Å; R12-F39 HydrophobicContact CB-CZ 4.13Å; F13-F39 AromaticContact CD2-CD2 3.52Å; F13-F39 HydrophobicContact CD2-CD2 3.52Å; F13-F39 AromaticContact CD2-CE2 3.83Å; F13-F39 HydrophobicContact CD2-CE2 3.83Å; F13-F39 HydrophobicContact CD2-CG 4.24Å; F13-F39 AromaticContact CE2-CD2 3.98Å; F13-F39 HydrophobicContact CE2-CD2 3.98Å; F13-F39 HydrophobicContact CE2-CE2 4.42Å; E35-F39 HydrophobicContact CG-CD2 4.42Å; E35-F39 HydrophobicContact CG-CE2 4.25Å; E35-F39 WeakPolarHBondContact O-CD2 3.4Å; E35-F39 PolarHBondContact O-N 3Å; E35-F39 WeakPolarHBondContact OE1-CE2 3.02Å; L36-F39 CarbonylContact O-C 3.56Å; L36-F39 PolarHBondContact O-N 3.24Å; A37-F39 PolarHBondContact O-N 3.33Å; F39-L41 HydrophobicContact CB-CD1 4.07Å; F39-L41 HydrophobicContact CB-CG 4.03Å; F39-L41 PolarHBondContact O-N 3.37Å
40G94.2Very high95.2Very high44 Ų4454.3 Ų54.345%0.45433%0.33SS..THydrogen-bonded Turntrans66.423-177.700000114.1L36 A37L36-G40 PolarHBondContact O-N 3.47Å; A37-G40 PolarHBondContact O-N 3.43Å
41L95.8Very high95.2Very high0 Ų050.3 Ų50.30%031%0.31CS..  trans-102.6-10.1-177.4-62.6179.9000113.5M1 V6 A9 L36 F39 D43 T47 A50 R51 L54M1-L41 HydrophobicContact SD-CD2 3.87Å; V6-L41 HydrophobicContact CG1-CD2 4.12Å; V6-L41 HydrophobicContact CG2-CD2 4.29Å; A9-L41 HydrophobicContact CB-CD1 3.93Å; A9-L41 HydrophobicContact CB-CD2 4.33Å; A9-L41 HydrophobicContact CB-CG 4.22Å; L36-L41 HydrophobicContact CB-CB 4.31Å; L36-L41 HydrophobicContact CD2-CB 3.92Å; L36-L41 HydrophobicContact CD2-CD1 4.27Å; L36-L41 PolarHBondContact O-N 3.02Å; F39-L41 HydrophobicContact CB-CD1 4.07Å; F39-L41 HydrophobicContact CB-CG 4.03Å; F39-L41 PolarHBondContact O-N 3.37Å; L41-D43 VanDerWaalsContact C-N 3.29Å; L41-D43 PolarHBondContact O-N 3.21Å; L41-T47 HydrophobicContact CD2-CG2 3.84Å; L41-A50 HydrophobicContact CD2-CB 4.37Å; L41-R51 WeakPolarHBondContact O-CD 3.06Å; L41-R51 WeakPolarHBondContact O-CG 3.41Å; L41-R51 PolarHBondContact O-NH1 2.94Å; L41-L54 HydrophobicContact CD1-CD1 3.58Å
42R93.7Very high95.2Very high101 Ų10148.4 Ų48.438%0.38130%0.303SS..SBendtrans-53.8-43-172.4-170.9-175.2-172.3162.15.1113.4L36 A37 R51L36-R42 HydrophobicContact CB-CB 4.41Å; L36-R42 PolarHBondContact O-N 3.47Å; A37-R42 HydrophobicContact CB-CB 4.07Å; R42-R51 WeakPolarHBondContact O-CD 3.48Å; R42-R51 PolarHBondContact O-NE 3.19Å; R42-R51 PolarHBondContact O-NH1 3.17Å
43D93Very high95.2Very high120 Ų12050.5 Ų50.564%0.64232%0.321SS*.SBendtrans-131.6159.3-171.5-57.2-67000112.3L41 T47L41-D43 VanDerWaalsContact C-N 3.29Å; L41-D43 PolarHBondContact O-N 3.21Å; D43-T47 PolarHBondContact O-OG1 2.88Å
44G92.5Very high95.2Very high44 Ų4449.6 Ų49.645%0.45432%0.316SS..  trans106.1151.3175.100000114.2T47 E48 R51G44-T47 PolarHBondContact O-OG1 3.35Å; G44-E48 PolarHBondContact O-N 2.86Å; G44-R51 PolarHBondContact O-NH1 3.09Å; G44-R51 PolarHBondContact O-NH2 3.43Å
45A92.4Very high95.2Very high91 Ų9146.4 Ų46.475%0.75230%0.295SS*.THydrogen-bonded Turntrans-68.6-38.3-179.600000112.4T47 E48A45-T47 PolarHBondContact O-N 2.93Å; A45-E48 PolarHBondContact O-N 3.41Å
46A91.9Very high95.2Very high77 Ų7744.5 Ų44.564%0.63629%0.286SS*.THydrogen-bonded Turntrans-66.1-22-179.800000113.7
47T94.8Very high95.1Very high6 Ų648 Ų484%0.03731%0.311CS..THydrogen-bonded Turntrans-102.2-9.4-177.446.90000112.5V6 L41 D43 G44 A45 A50 R51V6-T47 HydrophobicContact CG2-CG2 4.22Å; L41-T47 HydrophobicContact CD2-CG2 3.84Å; D43-T47 PolarHBondContact O-OG1 2.88Å; G44-T47 PolarHBondContact O-OG1 3.35Å; A45-T47 PolarHBondContact O-N 2.93Å; T47-A50 WeakPolarHBondContact O-CB 3.39Å; T47-A50 PolarHBondContact O-N 3.31Å; T47-A50 VanDerWaalsContact O-N 3.1Å; T47-R51 PolarHBondContact O-N 3.34Å; T47-R51 PolarHBondContact OG1-NH1 2.93Å
48E95.8Very high95.2Very high42 Ų4248 Ų4820%0.19630%0.303CS..Hα-helixtrans-57-46.8-179.6-164.7-73.6152.600112.9G44 A45 A50 R51 R52 Y81G44-E48 PolarHBondContact O-N 2.86Å; A45-E48 PolarHBondContact O-N 3.41Å; E48-A50 PolarHBondContact O-N 3.2Å; E48-R51 VanDerWaalsContact CB-NH2 3.34Å; E48-R51 PolarHBondContact O-N 3.43Å; E48-R51 VanDerWaalsContact O-N 3.13Å; E48-R52 PolarHBondContact O-N 2.82Å; E48-Y81 VanDerWaalsContact OE1-CB 3.25Å; E48-Y81 WeakPolarHBondContact OE1-CB 3.27Å; E48-Y81 PolarHBondContact OE1-N 2.92Å
49P95.4Very high95.2Very high66 Ų6642.7 Ų42.743%0.42927%0.27SS..Hα-helixtrans-60.3-33.3178.2-2535.6000112.5A53P49-A53 WeakPolarHBondContact O-CB 3.3Å; P49-A53 PolarHBondContact O-N 3.34Å
50A95.9Very high95.3Very high3 Ų341.3 Ų41.33%0.02527%0.268CS..Hα-helixtrans-71.7-44.6177.200000111.9V6 Q10 L41 T47 E48 R52 A53 L54V6-A50 HydrophobicContact CG1-CB 3.48Å; V6-A50 VanDerWaalsContact CG1-CB 3.48Å; Q10-A50 HydrophobicContact CG-CB 3.99Å; L41-A50 HydrophobicContact CD2-CB 4.37Å; T47-A50 WeakPolarHBondContact O-CB 3.39Å; T47-A50 PolarHBondContact O-N 3.31Å; T47-A50 VanDerWaalsContact O-N 3.1Å; E48-A50 PolarHBondContact O-N 3.2Å; A50-R52 VanDerWaalsContact C-N 3.32Å; A50-R52 PolarHBondContact O-N 2.86Å; A50-A53 PolarHBondContact O-N 3.06Å; A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 WeakPolarHBondContact O-CG 3.48Å; A50-L54 PolarHBondContact O-N 2.85Å
51R96.4Very high95.3Very high23 Ų2348.4 Ų48.49%0.08729%0.287CS..Hα-helixtrans-56.2-47.2174.6-70.6-164.6-70.7-75.10.7111.7L36 L41 R42 G44 T47 E48 L54 L55 Y81L36-R51 HydrophobicContact CD1-CB 4.24Å; L36-R51 HydrophobicContact CD1-CG 3.75Å; L36-R51 HydrophobicContact CD2-CG 4.22Å; L41-R51 WeakPolarHBondContact O-CD 3.06Å; L41-R51 WeakPolarHBondContact O-CG 3.41Å; L41-R51 PolarHBondContact O-NH1 2.94Å; R42-R51 WeakPolarHBondContact O-CD 3.48Å; R42-R51 PolarHBondContact O-NE 3.19Å; R42-R51 PolarHBondContact O-NH1 3.17Å; G44-R51 PolarHBondContact O-NH1 3.09Å; G44-R51 PolarHBondContact O-NH2 3.43Å; T47-R51 PolarHBondContact O-N 3.34Å; T47-R51 PolarHBondContact OG1-NH1 2.93Å; E48-R51 VanDerWaalsContact CB-NH2 3.34Å; E48-R51 PolarHBondContact O-N 3.43Å; E48-R51 VanDerWaalsContact O-N 3.13Å; R51-L54 PolarHBondContact O-N 2.95Å; R51-L55 WeakPolarHBondContact O-CB 3.38Å; R51-L55 PolarHBondContact O-N 2.9Å; R51-Y81 HydrophobicContact CB-CD2 3.81Å; R51-Y81 HydrophobicContact CB-CE2 4.08Å; R51-Y81 HydrophobicContact CB-CG 4.07Å
52R96.4Very high95.3Very high45 Ų4554.3 Ų54.317%0.1731%0.314CS..Hα-helixtrans-57.7-53.4175.8171.3173.168.3-173.12.8112.3E48 A50 L54 L55 L56 Q77 D78 V79 L84E48-R52 PolarHBondContact O-N 2.82Å; A50-R52 VanDerWaalsContact C-N 3.32Å; A50-R52 PolarHBondContact O-N 2.86Å; R52-L54 VanDerWaalsContact C-N 3.28Å; R52-L54 PolarHBondContact O-N 3.5Å; R52-L55 PolarHBondContact O-N 3Å; R52-L56 HydrophobicContact CG-CD1 4.06Å; R52-L56 WeakPolarHBondContact O-CG 3.43Å; R52-L56 PolarHBondContact O-N 3.24Å; R52-Q77 PolarHBondContact NE-O 3.46Å; R52-Q77 PolarHBondContact NH1-O 3.42Å; R52-Q77 PolarHBondContact NH2-O 2.91Å; R52-D78 VanDerWaalsContact NH1-C 3.34Å; R52-D78 PolarHBondContact NH1-O 3.5Å; R52-V79 WeakPolarHBondContact CD-O 3.31Å; R52-V79 PolarHBondContact NH1-O 3.4Å; R52-V79 VanDerWaalsContact NH1-O 3.14Å; R52-L84 HydrophobicContact CG-CD1 3.85Å
53A96.2Very high95.3Very high45 Ų4549.7 Ų49.737%0.37230%0.297SS..Hα-helixtrans-60.1-41.6-179.400000111.4P49 A50 S57P49-A53 WeakPolarHBondContact O-CB 3.3Å; P49-A53 PolarHBondContact O-N 3.34Å; A50-A53 PolarHBondContact O-N 3.06Å; A53-S57 VanDerWaalsContact O-CB 3.32Å; A53-S57 WeakPolarHBondContact O-CB 3.26Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.25Å
54L97.3Very high95.5Very high7 Ų747.8 Ų47.84%0.03728%0.283CS..Hα-helixtrans-63.4-47.8176.6-71.7174.2000111.3Q10 F13 F32 L36 L41 A50 R51 R52 L56 S57 K58Q10-L54 HydrophobicContact CB-CD2 4.43Å; Q10-L54 HydrophobicContact CG-CD1 4.3Å; Q10-L54 HydrophobicContact CG-CD2 4.35Å; Q10-L54 HydrophobicContact CG-CG 4.3Å; F13-L54 HydrophobicContact CB-CD1 4.28Å; F13-L54 HydrophobicContact CB-CD2 3.69Å; F13-L54 HydrophobicContact CD1-CD1 4.21Å; F13-L54 HydrophobicContact CD1-CD2 3.69Å; F13-L54 HydrophobicContact CD1-CG 4.36Å; F13-L54 HydrophobicContact CD2-CD1 3.78Å; F13-L54 HydrophobicContact CE1-CD2 4.46Å; F13-L54 HydrophobicContact CE2-CD1 4.12Å; F13-L54 HydrophobicContact CG-CD1 3.82Å; F13-L54 HydrophobicContact CG-CD2 3.71Å; F13-L54 HydrophobicContact CG-CG 4.33Å; F13-L54 HydrophobicContact CZ-CD1 4.47Å; F32-L54 HydrophobicContact CE2-CB 4.37Å; F32-L54 HydrophobicContact CZ-CB 3.85Å; L36-L54 HydrophobicContact CD2-CD1 3.62Å; L41-L54 HydrophobicContact CD1-CD1 3.58Å; A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 WeakPolarHBondContact O-CG 3.48Å; A50-L54 PolarHBondContact O-N 2.85Å; R51-L54 PolarHBondContact O-N 2.95Å; R52-L54 VanDerWaalsContact C-N 3.28Å; R52-L54 PolarHBondContact O-N 3.5Å; L54-L56 PolarHBondContact O-N 3.38Å; L54-S57 WeakPolarHBondContact CA-OG 3.33Å; L54-S57 PolarHBondContact O-N 3.15Å; L54-S57 VanDerWaalsContact O-N 3.12Å; L54-S57 PolarHBondContact O-OG 3.28Å; L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 VanDerWaalsContact O-CG 3.29Å; L54-K58 WeakPolarHBondContact O-CG 3.33Å; L54-K58 PolarHBondContact O-N 2.74Å
55L97.5Very high95.6Very high0 Ų054.2 Ų54.20%029%0.293CS..Hα-helixtrans-58.7-49.4178.7-178.661.5000111.2W25 Y28 I29 F32 R51 R52 S57 K58 V59 Y81 L84 K85W25-L55 HydrophobicContact CH2-CD1 4.24Å; Y28-L55 HydrophobicContact CE1-CD1 4.36Å; I29-L55 HydrophobicContact CD1-CD1 4.21Å; F32-L55 HydrophobicContact CD1-CD1 4.33Å; F32-L55 HydrophobicContact CE1-CB 4.03Å; F32-L55 HydrophobicContact CE1-CD1 4.14Å; F32-L55 HydrophobicContact CZ-CB 3.94Å; F32-L55 HydrophobicContact CZ-CD1 4.35Å; R51-L55 WeakPolarHBondContact O-CB 3.38Å; R51-L55 PolarHBondContact O-N 2.9Å; R52-L55 PolarHBondContact O-N 3Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3.35Å; L55-K58 PolarHBondContact O-N 3.23Å; L55-V59 VanDerWaalsContact O-CB 3.28Å; L55-V59 WeakPolarHBondContact O-CB 3.29Å; L55-V59 PolarHBondContact O-N 3.25Å; L55-Y81 HydrophobicContact CB-CD2 4.25Å; L55-Y81 HydrophobicContact CB-CE2 3.97Å; L55-Y81 HydrophobicContact CD2-CD2 3.94Å; L55-Y81 HydrophobicContact CD2-CE2 3.71Å; L55-Y81 HydrophobicContact CG-CE2 4.36Å; L55-L84 HydrophobicContact CD2-CB 3.95Å; L55-L84 HydrophobicContact CD2-CD1 4.4Å; L55-K85 HydrophobicContact CD2-CG 4.18Å
56L97.2Very high95.7Very high20 Ų2052 Ų5211%0.10527%0.269CS..Hα-helixtrans-59.6-37177.3-69.9174.4000112.5R52 L54 F64 L67 I76 L84R52-L56 HydrophobicContact CG-CD1 4.06Å; R52-L56 WeakPolarHBondContact O-CG 3.43Å; R52-L56 PolarHBondContact O-N 3.24Å; L54-L56 PolarHBondContact O-N 3.38Å; L56-F64 HydrophobicContact CB-CD2 4.25Å; L56-F64 HydrophobicContact CB-CE2 4.13Å; L56-F64 HydrophobicContact CD2-CD2 4.14Å; L56-F64 HydrophobicContact CD2-CE2 4.16Å; L56-F64 WeakPolarHBondContact O-CD2 3.3Å; L56-L67 HydrophobicContact CD2-CD1 3.77Å; L56-I76 HydrophobicContact CD1-CG1 4.19Å; L56-I76 HydrophobicContact CD1-CG2 4.36Å; L56-I76 HydrophobicContact CD2-CD1 4.41Å; L56-I76 HydrophobicContact CD2-CG1 3.61Å; L56-L84 HydrophobicContact CD1-CD1 4.21Å; L56-L84 HydrophobicContact CD2-CD1 3.85Å; L56-L84 HydrophobicContact CD2-CD2 4.2Å; L56-L84 HydrophobicContact CG-CD1 3.84Å
57S95.7Very high95.9Very high73 Ų7348.3 Ų48.351%0.5124%0.239SC..Hα-helixtrans-73.5-30.6178.477.40000113.6A53 L54 L55A53-S57 VanDerWaalsContact O-CB 3.32Å; A53-S57 WeakPolarHBondContact O-CB 3.26Å; A53-S57 PolarHBondContact O-N 3.21Å; A53-S57 PolarHBondContact O-OG 3.25Å; L54-S57 WeakPolarHBondContact CA-OG 3.33Å; L54-S57 PolarHBondContact O-N 3.15Å; L54-S57 VanDerWaalsContact O-N 3.12Å; L54-S57 PolarHBondContact O-OG 3.28Å; L55-S57 VanDerWaalsContact C-N 3.26Å; L55-S57 PolarHBondContact O-N 3.35Å
58K96.6Very high96Very high47 Ų4750 Ų5020%0.20425%0.248CC..Hα-helixtrans-102.2-26-170.7-60.6-50.6-172.9-1800113.9F13 F15 S17 Y28 F32 L54 L55 G60F13-K58 HydrophobicContact CD1-CG 4.26Å; F13-K58 HydrophobicContact CE1-CG 4.1Å; F13-K58 VanDerWaalsContact O-CE 3.29Å; F13-K58 WeakPolarHBondContact O-CE 3.34Å; F13-K58 PolarHBondContact O-NZ 3.17Å; F15-K58 HydrophobicContact CB-CB 4.46Å; F15-K58 HydrophobicContact CB-CD 4.34Å; F15-K58 HydrophobicContact CB-CG 4.08Å; F15-K58 HydrophobicContact CD1-CB 4.48Å; S17-K58 WeakPolarHBondContact CA-O 3.44Å; S17-K58 WeakPolarHBondContact CB-O 3.26Å; S17-K58 PolarHBondContact OG-O 3.45Å; Y28-K58 PolarHBondContact OH-O 3.05Å; F32-K58 HydrophobicContact CE2-CB 4.22Å; F32-K58 HydrophobicContact CE2-CG 4.33Å; L54-K58 WeakPolarHBondContact O-CB 3.41Å; L54-K58 VanDerWaalsContact O-CG 3.29Å; L54-K58 WeakPolarHBondContact O-CG 3.33Å; L54-K58 PolarHBondContact O-N 2.74Å; L55-K58 PolarHBondContact O-N 3.23Å; K58-G60 PolarHBondContact O-N 3.29Å
59V96Very high96Very high0 Ų051.6 Ų51.60%026%0.259CS..SBendtrans-58.4-20.4-175.474.70000114F18 W25 Y28 L55 H63 F64 I88F18-V59 HydrophobicContact CB-CG2 4.41Å; F18-V59 PolarHBondContact N-O 3.49Å; W25-V59 HydrophobicContact CH2-CG2 4.45Å; W25-V59 HydrophobicContact CZ3-CG2 4.09Å; Y28-V59 WeakPolarHBondContact OH-CA 3.37Å; Y28-V59 PolarHBondContact OH-N 2.98Å; L55-V59 VanDerWaalsContact O-CB 3.28Å; L55-V59 WeakPolarHBondContact O-CB 3.29Å; L55-V59 PolarHBondContact O-N 3.25Å; V59-H63 HydrophobicContact CB-CB 4.3Å; V59-H63 HydrophobicContact CG1-CB 4.04Å; V59-H63 HydrophobicContact CG2-CB 3.5Å; V59-H63 PolarHBondContact O-ND1 3.48Å; V59-F64 HydrophobicContact CG1-CB 4.22Å; V59-I88 HydrophobicContact CG2-CD1 3.67Å
60G95.7Very high96Very high14 Ų1453.7 Ų53.714%0.14426%0.262CS..  trans93.1157.1177.500000113.2K58 Q62 H63 F64K58-G60 PolarHBondContact O-N 3.29Å; G60-Q62 PolarHBondContact O-N 3.17Å; G60-H63 PolarHBondContact O-N 2.91Å; G60-F64 WeakPolarHBondContact O-CB 3.27Å; G60-F64 PolarHBondContact O-N 3.27Å
61K95.8Very high96.1Very high193 Ų19354.8 Ų54.884%0.83927%0.267SS*.Hα-helixtrans-56.2-40.2-166.763.7-173.6179-176.90115.1R65K61-R65 PolarHBondContact O-N 3.19Å; K61-R65 VanDerWaalsContact O-N 3.11Å
62Q94.2Very high96Very high123 Ų12359.9 Ų59.958%0.57529%0.289SS*.Hα-helixtrans-68.4-47.1-177.4176.4176.7-13.200111.2G60 R65 L66G60-Q62 PolarHBondContact O-N 3.17Å; Q62-R65 PolarHBondContact O-N 3.01Å; Q62-L66 PolarHBondContact O-N 3.32Å
63H94.5Very high95.9Very high4 Ų464.4 Ų64.42%0.01933%0.325CS..Hα-helixtrans-71.4-35.7-178.8-51.686.1000111.5F18 P20 V59 G60 L66 L67 Y92F18-H63 AromaticContact CD1-CD2 3.36Å; F18-H63 WeakPolarHBondContact CD1-CD2 3.35Å; F18-H63 AromaticContact CD1-CE1 3.75Å; F18-H63 AromaticContact CD1-CG 3.96Å; F18-H63 AromaticContact CD1-NE2 3.23Å; F18-H63 WeakPolarHBondContact CD1-NE2 3.44Å; F18-H63 AromaticContact CE1-CD2 3.76Å; F18-H63 AromaticContact CE1-NE2 3.52Å; F18-H63 PolarHBondContact O-CE1 3.36Å; P20-H63 VanDerWaalsContact CG-NE2 3.33Å; P20-H63 WeakPolarHBondContact CG-NE2 3.39Å; V59-H63 HydrophobicContact CB-CB 4.3Å; V59-H63 HydrophobicContact CG1-CB 4.04Å; V59-H63 HydrophobicContact CG2-CB 3.5Å; V59-H63 PolarHBondContact O-ND1 3.48Å; G60-H63 PolarHBondContact O-N 2.91Å; H63-L66 WeakPolarHBondContact O-CB 3.38Å; H63-L66 PolarHBondContact O-N 3.04Å; H63-L67 WeakPolarHBondContact O-CB 3.44Å; H63-L67 WeakPolarHBondContact O-CG 3.36Å; H63-L67 PolarHBondContact O-N 2.99Å; H63-Y92 AromaticContact CD2-CE2 3.59Å; H63-Y92 AromaticContact CD2-CZ 3.46Å; H63-Y92 VanDerWaalsContact CD2-CZ 3.46Å; H63-Y92 PolarHBondContact CD2-OH 2.69Å; H63-Y92 AromaticContact NE2-CZ 3.44Å; H63-Y92 PolarHBondContact NE2-OH 2.87Å
64F96.6Very high95.9Very high81 Ų8166.9 Ų66.936%0.35532%0.324SS..Hα-helixtrans-59.8-45.3170.9-177.6-91.4000111.7L56 V59 G60 L66 L67 V68 I76L56-F64 HydrophobicContact CB-CD2 4.25Å; L56-F64 HydrophobicContact CB-CE2 4.13Å; L56-F64 HydrophobicContact CD2-CD2 4.14Å; L56-F64 HydrophobicContact CD2-CE2 4.16Å; L56-F64 WeakPolarHBondContact O-CD2 3.3Å; V59-F64 HydrophobicContact CG1-CB 4.22Å; G60-F64 WeakPolarHBondContact O-CB 3.27Å; G60-F64 PolarHBondContact O-N 3.27Å; F64-L66 PolarHBondContact O-N 3.12Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.48Å; F64-V68 HydrophobicContact CD1-CG2 4.06Å; F64-V68 HydrophobicContact CE1-CG2 3.62Å; F64-V68 HydrophobicContact CZ-CG2 3.9Å; F64-V68 WeakPolarHBondContact O-CG2 3.16Å; F64-V68 PolarHBondContact O-N 3.3Å; F64-I76 HydrophobicContact CE2-CG2 4.37Å; F64-I76 HydrophobicContact CZ-CG2 4.25Å
65R96.1Very high95.8Very high178 Ų17868.2 Ų68.267%0.67234%0.336SS*.Hα-helixtrans-60.4-45.9175.5179.5177.9178.6168.20.9111.8K61 Q62 L67 V68 D69K61-R65 PolarHBondContact O-N 3.19Å; K61-R65 VanDerWaalsContact O-N 3.11Å; Q62-R65 PolarHBondContact O-N 3.01Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.49Å; R65-V68 PolarHBondContact O-N 2.89Å; R65-D69 IonicContact NE-OD2 2.75Å; R65-D69 WeakPolarHBondContact O-CB 3.41Å; R65-D69 PolarHBondContact O-N 3.32Å
66L94.2Very high95.7Very high45 Ų4569 Ų6924%0.23634%0.34CS..Hα-helixtrans-55.5-48.1176.8-178.4162.4000111.2Q62 H63 F64 D69 H70 N91Q62-L66 PolarHBondContact O-N 3.32Å; H63-L66 WeakPolarHBondContact O-CB 3.38Å; H63-L66 PolarHBondContact O-N 3.04Å; F64-L66 PolarHBondContact O-N 3.12Å; L66-D69 PolarHBondContact O-N 2.8Å; L66-H70 VanDerWaalsContact O-CB 3.29Å; L66-H70 WeakPolarHBondContact O-CB 3.46Å; L66-H70 PolarHBondContact O-N 2.98Å; L66-N91 HydrophobicContact CD1-CB 4.22Å
67L96.5Very high95.6Very high0 Ų073.3 Ų73.30%036%0.36CS..Hα-helixtrans-60.3-47.6177.6-82.4178.4000112.5L56 H63 F64 R65 D69 H70 F71 I76 L84 A87 I88L56-L67 HydrophobicContact CD2-CD1 3.77Å; H63-L67 WeakPolarHBondContact O-CB 3.44Å; H63-L67 WeakPolarHBondContact O-CG 3.36Å; H63-L67 PolarHBondContact O-N 2.99Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 PolarHBondContact O-N 3.48Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 3.49Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 3.17Å; L67-H70 PolarHBondContact O-N 3.22Å; L67-F71 HydrophobicContact CD2-CD2 4.29Å; L67-F71 HydrophobicContact CD2-CE2 3.84Å; L67-F71 WeakPolarHBondContact O-CD2 3.36Å; L67-F71 PolarHBondContact O-N 3.37Å; L67-F71 VanDerWaalsContact O-N 3.09Å; L67-I76 HydrophobicContact CB-CD1 3.94Å; L67-I76 HydrophobicContact CB-CG1 4.41Å; L67-L84 HydrophobicContact CD1-CD2 4.15Å; L67-L84 HydrophobicContact CD2-CB 4.45Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; L67-A87 HydrophobicContact CD2-CB 3.96Å; L67-I88 HydrophobicContact CD1-CD1 3.74Å; L67-I88 HydrophobicContact CD1-CG1 4.2Å; L67-I88 HydrophobicContact CD2-CD1 4.22Å; L67-I88 HydrophobicContact CD2-CG1 3.83Å; L67-I88 HydrophobicContact CG-CD1 4.06Å; L67-I88 HydrophobicContact CG-CG1 3.95Å
68V96.8Very high95.6Very high40 Ų4074.8 Ų74.824%0.24236%0.362CS..Hα-helixtrans-59.5-45.6177.6169.10000111F64 R65 K72 I76F64-V68 HydrophobicContact CD1-CG2 4.06Å; F64-V68 HydrophobicContact CE1-CG2 3.62Å; F64-V68 HydrophobicContact CZ-CG2 3.9Å; F64-V68 WeakPolarHBondContact O-CG2 3.16Å; F64-V68 PolarHBondContact O-N 3.3Å; R65-V68 PolarHBondContact O-N 2.89Å; V68-K72 WeakPolarHBondContact O-CG 3.45Å; V68-K72 PolarHBondContact O-N 3.19Å; V68-I76 HydrophobicContact CG2-CB 4.09Å; V68-I76 HydrophobicContact CG2-CG1 4.31Å; V68-I76 HydrophobicContact CG2-CG2 3.97Å
69D96Very high95.6Very high77 Ų7772.6 Ų72.641%0.41235%0.353SS..Hα-helixtrans-67.6-36.6179.7-71.8-25.7000111.8R65 L66 L67 K72R65-D69 IonicContact NE-OD2 2.75Å; R65-D69 WeakPolarHBondContact O-CB 3.41Å; R65-D69 PolarHBondContact O-N 3.32Å; L66-D69 PolarHBondContact O-N 2.8Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 3.17Å; D69-K72 IonicContact OD1-NZ 3.83Å; D69-K72 PolarHBondContact OD1-NZ 3.06Å
70H95.3Very high95.6Very high109 Ų10974.3 Ų74.351%0.50537%0.367SS..Hα-helixtrans-65.4-39.2178.1-177.179000113.5L66 L67L66-H70 VanDerWaalsContact O-CB 3.29Å; L66-H70 WeakPolarHBondContact O-CB 3.46Å; L66-H70 PolarHBondContact O-N 2.98Å; L67-H70 PolarHBondContact O-N 3.22Å
71F96.6Very high95.7Very high26 Ų2674 Ų7411%0.11436%0.361CS..Hα-helixtrans-96.3-1.9-172.8-74-65.3000115.1L67 R74 I76 V79 E83 L84 A87L67-F71 HydrophobicContact CD2-CD2 4.29Å; L67-F71 HydrophobicContact CD2-CE2 3.84Å; L67-F71 WeakPolarHBondContact O-CD2 3.36Å; L67-F71 PolarHBondContact O-N 3.37Å; L67-F71 VanDerWaalsContact O-N 3.09Å; F71-R74 WeakPolarHBondContact O-CA 3.44Å; F71-R74 VanDerWaalsContact O-CB 3.23Å; F71-R74 WeakPolarHBondContact O-CB 3.42Å; F71-R74 PolarHBondContact O-N 3.13Å; F71-I76 HydrophobicContact CB-CD1 4.15Å; F71-I76 HydrophobicContact CD2-CD1 3.5Å; F71-I76 HydrophobicContact CE2-CD1 4.33Å; F71-I76 HydrophobicContact CG-CD1 4.19Å; F71-V79 HydrophobicContact CB-CG2 4.04Å; F71-V79 HydrophobicContact CD1-CG1 4.29Å; F71-V79 HydrophobicContact CD1-CG2 4.15Å; F71-V79 HydrophobicContact CD2-CG1 4.22Å; F71-V79 HydrophobicContact CD2-CG2 4.07Å; F71-V79 HydrophobicContact CE1-CG1 3.95Å; F71-V79 HydrophobicContact CE2-CG1 3.88Å; F71-V79 HydrophobicContact CG-CG1 4.4Å; F71-V79 HydrophobicContact CG-CG2 3.82Å; F71-V79 HydrophobicContact CZ-CG1 3.72Å; F71-E83 HydrophobicContact CZ-CB 4.23Å; F71-L84 HydrophobicContact CD2-CD2 4.24Å; F71-L84 HydrophobicContact CE2-CD2 3.88Å; F71-A87 HydrophobicContact CE2-CB 3.67Å; F71-A87 HydrophobicContact CZ-CB 3.71Å
72K94.7Very high95.7Very high130 Ų13069.7 Ų69.757%0.56535%0.348SS*.THydrogen-bonded Turntrans-53.8137.8173.4-86.6166.9-175.61650111.1V68 D69V68-K72 WeakPolarHBondContact O-CG 3.45Å; V68-K72 PolarHBondContact O-N 3.19Å; D69-K72 IonicContact OD1-NZ 3.83Å; D69-K72 PolarHBondContact OD1-NZ 3.06Å
73P95.6Very high95.8Very high140 Ų14067.6 Ų67.691%0.90934%0.338SS*.THydrogen-bonded Turncis-88.42.97.235.8-36.8000115
74R95.5Very high95.9Very high97 Ų9767.4 Ų67.437%0.36634%0.337SS..SBendtrans-66.5138.5178.9-174.1170.362.11667.3110F71 I76 V79 E83F71-R74 WeakPolarHBondContact O-CA 3.44Å; F71-R74 VanDerWaalsContact O-CB 3.23Å; F71-R74 WeakPolarHBondContact O-CB 3.42Å; F71-R74 PolarHBondContact O-N 3.13Å; R74-I76 PolarHBondContact O-N 3.47Å; R74-V79 HydrophobicContact CG-CG2 4.41Å; R74-V79 VanDerWaalsContact NH2-CG1 3.25Å; R74-E83 IonicContact CZ-OE1 2.88Å; R74-E83 IonicContact CZ-OE2 2.75Å; R74-E83 VanDerWaalsContact CZ-OE2 3.31Å; R74-E83 IonicContact NH1-OE1 3.81Å; R74-E83 PolarHBondContact NH1-OE1 2.77Å; R74-E83 IonicContact NH1-OE2 2.81Å; R74-E83 PolarHBondContact NH1-OE2 3.1Å; R74-E83 IonicContact NH2-OE1 3.31Å; R74-E83 IonicContact NH2-OE2 3.69Å; R74-E83 PolarHBondContact NH2-OE2 3Å
75A95.1Very high95.9Very high35 Ų3565.6 Ų65.629%0.28933%0.329SS..  trans-68.9133175.800000109.8Q77 D78A75-Q77 HydrophobicContact CB-CG 4.4Å; A75-Q77 PolarHBondContact O-N 3Å; A75-D78 PolarHBondContact O-N 3.23Å
76I95.9Very high95.8Very high16 Ų1660 Ų608%0.08232%0.321CS..G310 helixtrans-63.6-29.6-171.3-166.559.9000112.4L56 F64 L67 V68 F71 R74 D78 V79 L84L56-I76 HydrophobicContact CD1-CG1 4.19Å; L56-I76 HydrophobicContact CD1-CG2 4.36Å; L56-I76 HydrophobicContact CD2-CD1 4.41Å; L56-I76 HydrophobicContact CD2-CG1 3.61Å; F64-I76 HydrophobicContact CE2-CG2 4.37Å; F64-I76 HydrophobicContact CZ-CG2 4.25Å; L67-I76 HydrophobicContact CB-CD1 3.94Å; L67-I76 HydrophobicContact CB-CG1 4.41Å; V68-I76 HydrophobicContact CG2-CB 4.09Å; V68-I76 HydrophobicContact CG2-CG1 4.31Å; V68-I76 HydrophobicContact CG2-CG2 3.97Å; F71-I76 HydrophobicContact CB-CD1 4.15Å; F71-I76 HydrophobicContact CD2-CD1 3.5Å; F71-I76 HydrophobicContact CE2-CD1 4.33Å; F71-I76 HydrophobicContact CG-CD1 4.19Å; R74-I76 PolarHBondContact O-N 3.47Å; I76-D78 PolarHBondContact O-N 3.26Å; I76-V79 HydrophobicContact CD1-CB 4.49Å; I76-V79 HydrophobicContact CD1-CG2 3.92Å; I76-V79 PolarHBondContact O-N 2.95Å; I76-L84 HydrophobicContact CD1-CD2 3.48Å; I76-L84 VanDerWaalsContact CD1-CD2 3.48Å; I76-L84 HydrophobicContact CG1-CD2 4.19Å
77Q94.1Very high95.7Very high112 Ų11258.1 Ų58.152%0.52331%0.312SS..G310 helixtrans-69.8-8.6175.867.4-90.522.800114.2R52 A75R52-Q77 PolarHBondContact NE-O 3.46Å; R52-Q77 PolarHBondContact NH1-O 3.42Å; R52-Q77 PolarHBondContact NH2-O 2.91Å; A75-Q77 HydrophobicContact CB-CG 4.4Å; A75-Q77 PolarHBondContact O-N 3Å
78D95.3Very high95.6Very high104 Ų10458.2 Ų58.256%0.55631%0.312SS*.G310 helixtrans-103.4-7.7178.5-61.8-33.6000112.6R52 A75 I76R52-D78 VanDerWaalsContact NH1-C 3.34Å; R52-D78 PolarHBondContact NH1-O 3.5Å; A75-D78 PolarHBondContact O-N 3.23Å; I76-D78 PolarHBondContact O-N 3.26Å
79V96.8Very high95.3Very high0 Ų059.7 Ų59.70%032%0.319CS..SBendtrans-72.5138.5177.3-1770000110.2R52 F71 R74 I76 E83 L84R52-V79 WeakPolarHBondContact CD-O 3.31Å; R52-V79 PolarHBondContact NH1-O 3.4Å; R52-V79 VanDerWaalsContact NH1-O 3.14Å; F71-V79 HydrophobicContact CB-CG2 4.04Å; F71-V79 HydrophobicContact CD1-CG1 4.29Å; F71-V79 HydrophobicContact CD1-CG2 4.15Å; F71-V79 HydrophobicContact CD2-CG1 4.22Å; F71-V79 HydrophobicContact CD2-CG2 4.07Å; F71-V79 HydrophobicContact CE1-CG1 3.95Å; F71-V79 HydrophobicContact CE2-CG1 3.88Å; F71-V79 HydrophobicContact CG-CG1 4.4Å; F71-V79 HydrophobicContact CG-CG2 3.82Å; F71-V79 HydrophobicContact CZ-CG1 3.72Å; R74-V79 HydrophobicContact CG-CG2 4.41Å; R74-V79 VanDerWaalsContact NH2-CG1 3.25Å; I76-V79 HydrophobicContact CD1-CB 4.49Å; I76-V79 HydrophobicContact CD1-CG2 3.92Å; I76-V79 PolarHBondContact O-N 2.95Å; V79-E83 HydrophobicContact CG1-CB 3.53Å; V79-E83 HydrophobicContact CG1-CG 4.46Å; V79-L84 HydrophobicContact CB-CD2 3.81Å; V79-L84 HydrophobicContact CB-CG 4.24Å; V79-L84 HydrophobicContact CG1-CD2 3.6Å; V79-L84 HydrophobicContact CG1-CG 3.89Å; V79-L84 HydrophobicContact CG2-CD2 4.45Å
80A97Very high94.9Very high36 Ų3659.6 Ų59.630%0.29833%0.328SS..  trans-68.4150.3177.200000112.2D82 E83 L84A80-D82 VanDerWaalsContact C-N 3.29Å; A80-D82 PolarHBondContact O-N 2.91Å; A80-E83 HydrophobicContact CB-CG 4.18Å; A80-E83 WeakPolarHBondContact CB-OE1 3.42Å; A80-E83 PolarHBondContact N-OE1 3.21Å; A80-E83 VanDerWaalsContact N-OE1 3.13Å; A80-E83 WeakPolarHBondContact O-CB 3.34Å; A80-E83 PolarHBondContact O-N 2.93Å; A80-L84 PolarHBondContact O-N 2.85Å
81Y97.3Very high94.4Very high7 Ų758.5 Ų58.53%0.02733%0.326CS..Hα-helixtrans-51.3-44.7178.5174.8-106.9000113F32 E33 E48 R51 L55 E83 L84 K85F32-Y81 AromaticContact CE1-CE2 3.92Å; F32-Y81 HydrophobicContact CE1-CE2 3.92Å; E33-Y81 WeakPolarHBondContact CG-OH 3.26Å; E33-Y81 PolarHBondContact OE1-OH 3.04Å; E33-Y81 VanDerWaalsContact OE1-OH 3.09Å; E48-Y81 VanDerWaalsContact OE1-CB 3.25Å; E48-Y81 WeakPolarHBondContact OE1-CB 3.27Å; E48-Y81 PolarHBondContact OE1-N 2.92Å; R51-Y81 HydrophobicContact CB-CD2 3.81Å; R51-Y81 HydrophobicContact CB-CE2 4.08Å; R51-Y81 HydrophobicContact CB-CG 4.07Å; L55-Y81 HydrophobicContact CB-CD2 4.25Å; L55-Y81 HydrophobicContact CB-CE2 3.97Å; L55-Y81 HydrophobicContact CD2-CD2 3.94Å; L55-Y81 HydrophobicContact CD2-CE2 3.71Å; L55-Y81 HydrophobicContact CG-CE2 4.36Å; Y81-E83 PolarHBondContact O-N 3.49Å; Y81-L84 WeakPolarHBondContact O-CB 3.32Å; Y81-L84 PolarHBondContact O-N 3.3Å; Y81-K85 HydrophobicContact CD1-CD 4.34Å; Y81-K85 HydrophobicContact CE1-CD 3.65Å; Y81-K85 HydrophobicContact CE1-CG 4.29Å; Y81-K85 HydrophobicContact CE2-CD 4.49Å; Y81-K85 HydrophobicContact CE2-CG 4.44Å; Y81-K85 PolarHBondContact O-N 2.99Å
82D96.3Very high93.8Very high104 Ų10460.3 Ų60.356%0.55633%0.333SS*.Hα-helixtrans-69.8-32.1179.7-66.6-40.1000112.8A80 K85 A86A80-D82 VanDerWaalsContact C-N 3.29Å; A80-D82 PolarHBondContact O-N 2.91Å; D82-K85 PolarHBondContact O-N 3.42Å; D82-K85 WeakPolarHBondContact OD1-CE 3.41Å; D82-K85 IonicContact OD1-NZ 3.45Å; D82-K85 PolarHBondContact OD1-NZ 2.9Å; D82-A86 WeakPolarHBondContact O-CB 3.27Å; D82-A86 PolarHBondContact O-N 2.75Å
83E96.6Very high92.7Very high78 Ų7856.1 Ų56.136%0.36432%0.323SS..Hα-helixtrans-65.6-40.5172.4-68.8-179.7-92.300111.1F71 R74 V79 A80 Y81 A86 A87F71-E83 HydrophobicContact CZ-CB 4.23Å; R74-E83 IonicContact CZ-OE1 2.88Å; R74-E83 IonicContact CZ-OE2 2.75Å; R74-E83 VanDerWaalsContact CZ-OE2 3.31Å; R74-E83 IonicContact NH1-OE1 3.81Å; R74-E83 PolarHBondContact NH1-OE1 2.77Å; R74-E83 IonicContact NH1-OE2 2.81Å; R74-E83 PolarHBondContact NH1-OE2 3.1Å; R74-E83 IonicContact NH2-OE1 3.31Å; R74-E83 IonicContact NH2-OE2 3.69Å; R74-E83 PolarHBondContact NH2-OE2 3Å; V79-E83 HydrophobicContact CG1-CB 3.53Å; V79-E83 HydrophobicContact CG1-CG 4.46Å; A80-E83 HydrophobicContact CB-CG 4.18Å; A80-E83 WeakPolarHBondContact CB-OE1 3.42Å; A80-E83 PolarHBondContact N-OE1 3.21Å; A80-E83 VanDerWaalsContact N-OE1 3.13Å; A80-E83 WeakPolarHBondContact O-CB 3.34Å; A80-E83 PolarHBondContact O-N 2.93Å; Y81-E83 PolarHBondContact O-N 3.49Å; E83-A86 PolarHBondContact O-N 3.02Å; E83-A87 WeakPolarHBondContact O-CB 3.48Å; E83-A87 PolarHBondContact O-N 3.24Å
84L96.7Very high91.2Very high0 Ų054.2 Ų54.20%031%0.31CS..Hα-helixtrans-61.3-47174.9-63.6178.8000111.3R52 L55 L56 L67 F71 I76 V79 A80 Y81 A86 A87 I88R52-L84 HydrophobicContact CG-CD1 3.85Å; L55-L84 HydrophobicContact CD2-CB 3.95Å; L55-L84 HydrophobicContact CD2-CD1 4.4Å; L56-L84 HydrophobicContact CD1-CD1 4.21Å; L56-L84 HydrophobicContact CD2-CD1 3.85Å; L56-L84 HydrophobicContact CD2-CD2 4.2Å; L56-L84 HydrophobicContact CG-CD1 3.84Å; L67-L84 HydrophobicContact CD1-CD2 4.15Å; L67-L84 HydrophobicContact CD2-CB 4.45Å; L67-L84 HydrophobicContact CD2-CD2 3.9Å; F71-L84 HydrophobicContact CD2-CD2 4.24Å; F71-L84 HydrophobicContact CE2-CD2 3.88Å; I76-L84 HydrophobicContact CD1-CD2 3.48Å; I76-L84 VanDerWaalsContact CD1-CD2 3.48Å; I76-L84 HydrophobicContact CG1-CD2 4.19Å; V79-L84 HydrophobicContact CB-CD2 3.81Å; V79-L84 HydrophobicContact CB-CG 4.24Å; V79-L84 HydrophobicContact CG1-CD2 3.6Å; V79-L84 HydrophobicContact CG1-CG 3.89Å; V79-L84 HydrophobicContact CG2-CD2 4.45Å; A80-L84 PolarHBondContact O-N 2.85Å; Y81-L84 WeakPolarHBondContact O-CB 3.32Å; Y81-L84 PolarHBondContact O-N 3.3Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-A86 PolarHBondContact O-N 2.75Å; L84-A87 PolarHBondContact O-N 3.04Å; L84-I88 PolarHBondContact O-N 3.43Å; L84-I88 VanDerWaalsContact O-N 3.14Å
85K95.6Very high89.6Confident44 Ų4459.8 Ų59.819%0.19134%0.337CS..Hα-helixtrans-59.1-46.5176.3-74.1-167.9-65.6179.90111.5I29 E33 L55 Y81 D82 A87 I88 N89I29-K85 HydrophobicContact CD1-CD 3.7Å; I29-K85 HydrophobicContact CD1-CG 3.83Å; I29-K85 HydrophobicContact CG1-CD 3.58Å; I29-K85 HydrophobicContact CG1-CG 4.08Å; E33-K85 IonicContact OE1-NZ 2.64Å; E33-K85 PolarHBondContact OE1-NZ 3.43Å; L55-K85 HydrophobicContact CD2-CG 4.18Å; Y81-K85 HydrophobicContact CD1-CD 4.34Å; Y81-K85 HydrophobicContact CE1-CD 3.65Å; Y81-K85 HydrophobicContact CE1-CG 4.29Å; Y81-K85 HydrophobicContact CE2-CD 4.49Å; Y81-K85 HydrophobicContact CE2-CG 4.44Å; Y81-K85 PolarHBondContact O-N 2.99Å; D82-K85 PolarHBondContact O-N 3.42Å; D82-K85 WeakPolarHBondContact OD1-CE 3.41Å; D82-K85 IonicContact OD1-NZ 3.45Å; D82-K85 PolarHBondContact OD1-NZ 2.9Å; K85-A87 PolarHBondContact O-N 3.14Å; K85-I88 PolarHBondContact O-N 2.97Å; K85-N89 VanDerWaalsContact O-CB 3.23Å; K85-N89 WeakPolarHBondContact O-CB 3.31Å; K85-N89 PolarHBondContact O-N 3.41Å
86A93.4Very high88.2Confident60 Ų6061.2 Ų61.250%0.49635%0.345SS..Hα-helixtrans-61.9-42.1-179.800000112.1D82 E83 L84 N89 A90D82-A86 WeakPolarHBondContact O-CB 3.27Å; D82-A86 PolarHBondContact O-N 2.75Å; E83-A86 PolarHBondContact O-N 3.02Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-A86 PolarHBondContact O-N 2.75Å; A86-N89 PolarHBondContact O-N 2.77Å; A86-A90 WeakPolarHBondContact O-CB 3.33Å; A86-A90 PolarHBondContact O-N 3.34Å
87A93.4Very high87.6Confident6 Ų663.7 Ų63.75%0.0536%0.364CS..Hα-helixtrans-63.5-44.3178.400000112.4L67 F71 E83 L84 K85 N91L67-A87 HydrophobicContact CD2-CB 3.96Å; F71-A87 HydrophobicContact CE2-CB 3.67Å; F71-A87 HydrophobicContact CZ-CB 3.71Å; E83-A87 WeakPolarHBondContact O-CB 3.48Å; E83-A87 PolarHBondContact O-N 3.24Å; L84-A87 PolarHBondContact O-N 3.04Å; K85-A87 PolarHBondContact O-N 3.14Å; A87-N91 PolarHBondContact O-ND2 3.15Å
88I92.7Very high87.3Confident1 Ų161 Ų611%0.00535%0.354CS..Hα-helixtrans-67.8-45.1175.9-63.5167.2000110.1W25 V59 L67 L84 K85 A90 N91 Y92W25-I88 HydrophobicContact CD2-CB 4.24Å; W25-I88 HydrophobicContact CD2-CG2 3.41Å; W25-I88 VanDerWaalsContact CD2-CG2 3.41Å; W25-I88 HydrophobicContact CE3-CB 4.46Å; W25-I88 HydrophobicContact CE3-CG2 3.44Å; W25-I88 VanDerWaalsContact CE3-CG2 3.44Å; W25-I88 HydrophobicContact CG-CG2 4.09Å; W25-I88 HydrophobicContact CH2-CB 3.93Å; W25-I88 HydrophobicContact CH2-CD1 3.43Å; W25-I88 VanDerWaalsContact CH2-CD1 3.43Å; W25-I88 HydrophobicContact CH2-CG1 4.29Å; W25-I88 HydrophobicContact CH2-CG2 3.74Å; W25-I88 HydrophobicContact CZ2-CB 3.69Å; W25-I88 HydrophobicContact CZ2-CD1 3.96Å; W25-I88 HydrophobicContact CZ2-CG1 4.43Å; W25-I88 HydrophobicContact CZ2-CG2 3.73Å; W25-I88 HydrophobicContact CZ3-CB 4.31Å; W25-I88 HydrophobicContact CZ3-CD1 3.94Å; W25-I88 HydrophobicContact CZ3-CG2 3.61Å; V59-I88 HydrophobicContact CG2-CD1 3.67Å; L67-I88 HydrophobicContact CD1-CD1 3.74Å; L67-I88 HydrophobicContact CD1-CG1 4.2Å; L67-I88 HydrophobicContact CD2-CD1 4.22Å; L67-I88 HydrophobicContact CD2-CG1 3.83Å; L67-I88 HydrophobicContact CG-CD1 4.06Å; L67-I88 HydrophobicContact CG-CG1 3.95Å; L84-I88 PolarHBondContact O-N 3.43Å; L84-I88 VanDerWaalsContact O-N 3.14Å; K85-I88 PolarHBondContact O-N 2.97Å; I88-A90 PolarHBondContact O-N 3.06Å; I88-N91 WeakPolarHBondContact O-CB 3.29Å; I88-N91 PolarHBondContact O-N 3.38Å; I88-Y92 HydrophobicContact CG2-CD2 3.52Å; I88-Y92 HydrophobicContact CG2-CE2 3.83Å; I88-Y92 WeakPolarHBondContact O-CD2 3.45Å; I88-Y92 PolarHBondContact O-N 3.41Å
89N90.9Very high87.1Confident72 Ų7262.2 Ų62.239%0.38536%0.358SS..Hα-helixtrans-55.4-41179-168.962.8000111.9K85 A86 N91 Y92 A93K85-N89 VanDerWaalsContact O-CB 3.23Å; K85-N89 WeakPolarHBondContact O-CB 3.31Å; K85-N89 PolarHBondContact O-N 3.41Å; A86-N89 PolarHBondContact O-N 2.77Å; N89-N91 PolarHBondContact O-N 3.21Å; N89-N91 VanDerWaalsContact O-N 3.12Å; N89-Y92 PolarHBondContact O-N 3.32Å; N89-A93 WeakPolarHBondContact O-CA 3.28Å; N89-A93 VanDerWaalsContact O-CB 3.31Å; N89-A93 WeakPolarHBondContact O-CB 3.49Å; N89-A93 PolarHBondContact O-N 3.21Å; N89-A93 WeakPolarHBondContact OD1-CB 3.49Å
90A87.8Confident86.8Confident74 Ų7466.1 Ų66.161%0.61238%0.378SS*.Hα-helixtrans-60.3-22.5176.700000114.3A86 I88A86-A90 WeakPolarHBondContact O-CB 3.33Å; A86-A90 PolarHBondContact O-N 3.34Å; I88-A90 PolarHBondContact O-N 3.06Å
91N85.3Confident86.6Confident86 Ų8665.2 Ų65.246%0.4637%0.368SS..Hα-helixtrans-91-32.8178.6-74.1-90000113.2L66 A87 I88 N89L66-N91 HydrophobicContact CD1-CB 4.22Å; A87-N91 PolarHBondContact O-ND2 3.15Å; I88-N91 WeakPolarHBondContact O-CB 3.29Å; I88-N91 PolarHBondContact O-N 3.38Å; N89-N91 PolarHBondContact O-N 3.21Å; N89-N91 VanDerWaalsContact O-N 3.12Å
92Y84.2Confident86.5Confident64 Ų6467.4 Ų67.425%0.25138%0.378SS..Hα-helixtrans-108.1-15.6-173.3-66.9-79.4000114.6F18 P20 W25 H63 I88 N89 P94F18-Y92 AromaticContact CE1-CD1 3.97Å; F18-Y92 HydrophobicContact CE1-CD1 3.97Å; F18-Y92 AromaticContact CE1-CD2 3.9Å; F18-Y92 HydrophobicContact CE1-CD2 3.9Å; F18-Y92 AromaticContact CE1-CE1 3.98Å; F18-Y92 HydrophobicContact CE1-CE1 3.98Å; F18-Y92 AromaticContact CE1-CE2 3.94Å; F18-Y92 HydrophobicContact CE1-CE2 3.94Å; F18-Y92 AromaticContact CE1-CG 3.92Å; F18-Y92 HydrophobicContact CE1-CG 3.92Å; F18-Y92 AromaticContact CE1-CZ 3.97Å; F18-Y92 HydrophobicContact CZ-CD1 4.13Å; F18-Y92 HydrophobicContact CZ-CE1 4.47Å; F18-Y92 HydrophobicContact CZ-CG 4.19Å; P20-Y92 HydrophobicContact CB-CD1 4.12Å; P20-Y92 HydrophobicContact CB-CE1 3.73Å; P20-Y92 HydrophobicContact CG-CD1 4.06Å; P20-Y92 HydrophobicContact CG-CE1 3.3Å; W25-Y92 HydrophobicContact CB-CG 4.34Å; H63-Y92 AromaticContact CD2-CE2 3.59Å; H63-Y92 AromaticContact CD2-CZ 3.46Å; H63-Y92 VanDerWaalsContact CD2-CZ 3.46Å; H63-Y92 PolarHBondContact CD2-OH 2.69Å; H63-Y92 AromaticContact NE2-CZ 3.44Å; H63-Y92 PolarHBondContact NE2-OH 2.87Å; I88-Y92 HydrophobicContact CG2-CD2 3.52Å; I88-Y92 HydrophobicContact CG2-CE2 3.83Å; I88-Y92 WeakPolarHBondContact O-CD2 3.45Å; I88-Y92 PolarHBondContact O-N 3.41Å; N89-Y92 PolarHBondContact O-N 3.32Å; Y92-P94 WeakPolarHBondContact O-CD 3.33Å
93A70.8Confident86.5Confident43 Ų4364.8 Ų64.836%0.35537%0.366SS..SBendtrans-108.872.6167.100000107.7N89 K95N89-A93 WeakPolarHBondContact O-CA 3.28Å; N89-A93 VanDerWaalsContact O-CB 3.31Å; N89-A93 WeakPolarHBondContact O-CB 3.49Å; N89-A93 PolarHBondContact O-N 3.21Å; N89-A93 WeakPolarHBondContact OD1-CB 3.49Å; A93-K95 PolarHBondContact O-N 3.04Å
94P65.2Low86.4Confident99 Ų9965.6 Ų65.664%0.64337%0.37SS*.  trans-50.1136.7164.724.5-31.4000106.4Y92 S96Y92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-S96 PolarHBondContact O-N 2.98Å
95K61.1Low86.5Confident214 Ų21465.9 Ų65.993%0.9337%0.371SS*.  trans-48.994.7-176-75.7-178.3178.9178.70109A93 S97A93-K95 PolarHBondContact O-N 3.04Å; K95-S97 PolarHBondContact O-N 3.29Å
96S65.3Low86.5Confident65 Ų6566.6 Ų66.646%0.45538%0.382SS..  trans-66124.8176.2-173.30000104.4P94 V98 D101P94-S96 PolarHBondContact O-N 2.98Å; S96-V98 PolarHBondContact O-N 3.42Å; S96-V98 VanDerWaalsContact O-N 3.1Å; S96-D101 VanDerWaalsContact CB-OD2 3.31Å; S96-D101 WeakPolarHBondContact CB-OD2 3.42Å; S96-D101 PolarHBondContact OG-OD1 3.03Å; S96-D101 PolarHBondContact OG-OD2 3.4Å
97S83.8Confident86.7Confident69 Ų6970.2 Ų70.248%0.48339%0.39SS..  trans-66.4115.4168.7173.30000105.2K95 M99 M100 D101K95-S97 PolarHBondContact O-N 3.29Å; S97-M99 CarbonylContact O-C 3.58Å; S97-M99 PolarHBondContact O-N 3.15Å; S97-M99 WeakPolarHBondContact OG-CB 3.4Å; S97-M99 PolarHBondContact OG-N 3.29Å; S97-M100 VanDerWaalsContact O-CA 3.31Å; S97-M100 WeakPolarHBondContact O-CA 3.34Å; S97-M100 VanDerWaalsContact O-CB 3.26Å; S97-M100 WeakPolarHBondContact O-CB 3.39Å; S97-M100 PolarHBondContact O-N 3.43Å; S97-M100 PolarHBondContact OG-N 3.28Å; S97-D101 PolarHBondContact O-N 3.48Å
98V88.5Confident86.9Confident54 Ų5471.7 Ų71.733%0.32739%0.394SS..Hα-helixtrans-48.8-34172.6174.90000110.2S96 D101 H102 C130 D131S96-V98 PolarHBondContact O-N 3.42Å; S96-V98 VanDerWaalsContact O-N 3.1Å; V98-D101 PolarHBondContact O-N 2.62Å; V98-H102 PolarHBondContact O-CD2 3.44Å; V98-H102 PolarHBondContact O-N 2.69Å; V98-C130 WeakPolarHBondContact CG1-O 3.3Å; V98-D131 HydrophobicContact CG1-CB 4.16Å; V98-D131 WeakPolarHBondContact CG2-OD2 3.46Å
99M90.7Very high87.2Confident130 Ų13075.9 Ų75.964%0.6441%0.413SS*.Hα-helixtrans-64.6-39.5173.4-173.364.985.700112.9S97 D101 H102 V103S97-M99 CarbonylContact O-C 3.58Å; S97-M99 PolarHBondContact O-N 3.15Å; S97-M99 WeakPolarHBondContact OG-CB 3.4Å; S97-M99 PolarHBondContact OG-N 3.29Å; M99-D101 VanDerWaalsContact C-N 3.34Å; M99-H102 WeakPolarHBondContact O-CB 3.32Å; M99-H102 PolarHBondContact O-N 3.09Å; M99-V103 WeakPolarHBondContact O-CG2 3.18Å; M99-V103 PolarHBondContact O-N 3.3Å
100M90.7Very high87.6Confident82 Ų8273 Ų7340%0.40440%0.396SS..Hα-helixtrans-65.3-39174.1-164.766.5-115.900111.2S97 H102 V103 H104S97-M100 VanDerWaalsContact O-CA 3.31Å; S97-M100 WeakPolarHBondContact O-CA 3.34Å; S97-M100 VanDerWaalsContact O-CB 3.26Å; S97-M100 WeakPolarHBondContact O-CB 3.39Å; S97-M100 PolarHBondContact O-N 3.43Å; S97-M100 PolarHBondContact OG-N 3.28Å; M100-H102 VanDerWaalsContact C-N 3.35Å; M100-V103 HydrophobicContact CE-CB 3.75Å; M100-V103 HydrophobicContact CE-CG1 3.54Å; M100-V103 WeakPolarHBondContact O-CB 3.49Å; M100-V103 PolarHBondContact O-N 3.03Å; M100-H104 PolarHBondContact O-CD2 3.26Å; M100-H104 PolarHBondContact O-N 2.87Å
101D92.6Very high88Confident17 Ų1777.3 Ų77.39%0.09140%0.397CS..Hα-helixtrans-62.5-41.9173.1-67.7-47.4000111.5S96 S97 V98 M99 V103 H104 F105 K129 C130S96-D101 VanDerWaalsContact CB-OD2 3.31Å; S96-D101 WeakPolarHBondContact CB-OD2 3.42Å; S96-D101 PolarHBondContact OG-OD1 3.03Å; S96-D101 PolarHBondContact OG-OD2 3.4Å; S97-D101 PolarHBondContact O-N 3.48Å; V98-D101 PolarHBondContact O-N 2.62Å; M99-D101 VanDerWaalsContact C-N 3.34Å; D101-V103 VanDerWaalsContact C-N 3.31Å; D101-V103 PolarHBondContact O-N 2.72Å; D101-H104 PolarHBondContact O-N 3.06Å; D101-F105 WeakPolarHBondContact O-CB 3.25Å; D101-F105 PolarHBondContact O-N 3.14Å; D101-K129 HydrophobicContact CB-CB 4.09Å; D101-C130 VanDerWaalsContact C-SG 3.53Å; D101-C130 PolarHBondContact O-SG 2.87Å
102H95.1Very high88.4Confident53 Ų5382.7 Ų82.725%0.24542%0.416CS..Hα-helixtrans-60.1-41173.1-77.2-150.1000111.9V98 M99 M100 F105 S106 C130 F132V98-H102 PolarHBondContact O-CD2 3.44Å; V98-H102 PolarHBondContact O-N 2.69Å; M99-H102 WeakPolarHBondContact O-CB 3.32Å; M99-H102 PolarHBondContact O-N 3.09Å; M100-H102 VanDerWaalsContact C-N 3.35Å; H102-F105 PolarHBondContact O-N 3.2Å; H102-S106 VanDerWaalsContact O-CB 3.29Å; H102-S106 WeakPolarHBondContact O-CB 3.31Å; H102-S106 PolarHBondContact O-N 3.41Å; H102-S106 PolarHBondContact O-OG 3.15Å; H102-C130 PolarHBondContact CD2-O 3.42Å; H102-C130 PolarHBondContact NE2-O 2.92Å; H102-F132 AromaticContact CD2-CE1 3.73Å; H102-F132 AromaticContact CE1-CD1 3.92Å; H102-F132 AromaticContact CE1-CE1 3.51Å; H102-F132 AromaticContact CG-CE1 3.98Å; H102-F132 AromaticContact ND1-CE1 3.85Å; H102-F132 AromaticContact NE2-CD1 3.75Å; H102-F132 AromaticContact NE2-CE1 3.42Å; H102-F132 WeakPolarHBondContact NE2-CE1 3.24Å
103V95.5Very high88.9Confident49 Ų4986.5 Ų86.530%0.29744%0.441SS..Hα-helixtrans-64.3-47.1176.1169.40000110.3M99 M100 D101 F105 S106 M107M99-V103 WeakPolarHBondContact O-CG2 3.18Å; M99-V103 PolarHBondContact O-N 3.3Å; M100-V103 HydrophobicContact CE-CB 3.75Å; M100-V103 HydrophobicContact CE-CG1 3.54Å; M100-V103 WeakPolarHBondContact O-CB 3.49Å; M100-V103 PolarHBondContact O-N 3.03Å; D101-V103 VanDerWaalsContact C-N 3.31Å; D101-V103 PolarHBondContact O-N 2.72Å; V103-F105 PolarHBondContact O-N 2.94Å; V103-S106 PolarHBondContact O-N 3.49Å; V103-M107 HydrophobicContact CG1-CE 3.79Å; V103-M107 HydrophobicContact CG1-CG 4.3Å; V103-M107 HydrophobicContact CG1-SD 3.77Å; V103-M107 WeakPolarHBondContact O-CB 3.31Å; V103-M107 VanDerWaalsContact O-CG 3.31Å; V103-M107 WeakPolarHBondContact O-CG 3.46Å; V103-M107 PolarHBondContact O-N 3.22Å
104H95.1Very high90.2Very high96 Ų9685.7 Ų85.744%0.44443%0.429SS..Hα-helixtrans-60.4-43.7176.7-75.2-52.8000112.4M100 D101 M107 R108 L126M100-H104 PolarHBondContact O-CD2 3.26Å; M100-H104 PolarHBondContact O-N 2.87Å; D101-H104 PolarHBondContact O-N 3.06Å; H104-M107 PolarHBondContact O-N 3.15Å; H104-R108 PolarHBondContact O-N 3.25Å; H104-L126 HydrophobicContact CB-CD2 4.46Å
105F97.8Very high91.7Very high5 Ų582.3 Ų82.32%0.02241%0.408CS..Hα-helixtrans-59.4-48.8174174-94.5000111.7D101 H102 V103 M107 R108 L123 L126 A127 F132 R139 L140 Q143D101-F105 WeakPolarHBondContact O-CB 3.25Å; D101-F105 PolarHBondContact O-N 3.14Å; H102-F105 PolarHBondContact O-N 3.2Å; V103-F105 PolarHBondContact O-N 2.94Å; F105-M107 VanDerWaalsContact C-N 3.33Å; F105-M107 PolarHBondContact O-N 3.2Å; F105-R108 WeakPolarHBondContact O-CB 3.06Å; F105-R108 PolarHBondContact O-N 3.48Å; F105-R108 VanDerWaalsContact O-N 3.15Å; F105-L123 HydrophobicContact CD2-CD2 4.2Å; F105-L123 HydrophobicContact CE2-CD2 4.01Å; F105-L126 HydrophobicContact CB-CB 4.39Å; F105-L126 HydrophobicContact CD2-CB 4.29Å; F105-A127 HydrophobicContact CD2-CB 3.95Å; F105-A127 HydrophobicContact CE2-CB 3.8Å; F105-F132 AromaticContact CD1-CE2 3.94Å; F105-F132 HydrophobicContact CD1-CE2 3.94Å; F105-F132 AromaticContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD2-CE2 4.08Å; F105-F132 AromaticContact CE1-CE2 3.96Å; F105-F132 HydrophobicContact CE1-CE2 3.96Å; F105-F132 AromaticContact CE1-CZ 3.9Å; F105-F132 HydrophobicContact CE1-CZ 3.9Å; F105-F132 HydrophobicContact CE2-CE2 4.11Å; F105-F132 AromaticContact CG-CE2 4Å; F105-F132 HydrophobicContact CG-CE2 4Å; F105-F132 AromaticContact CG-CZ 3.99Å; F105-F132 HydrophobicContact CG-CZ 3.99Å; F105-F132 HydrophobicContact CZ-CE2 4.04Å; F105-F132 HydrophobicContact CZ-CZ 4.45Å; F105-R139 HydrophobicContact CE1-CB 4.32Å; F105-R139 HydrophobicContact CZ-CB 4.31Å; F105-R139 WeakPolarHBondContact CZ-O 2.96Å; F105-L140 HydrophobicContact CE2-CD2 3.9Å; F105-L140 HydrophobicContact CZ-CD2 4.39Å; F105-Q143 HydrophobicContact CD1-CG 4.34Å; F105-Q143 HydrophobicContact CE1-CB 3.59Å; F105-Q143 HydrophobicContact CE1-CG 3.76Å; F105-Q143 HydrophobicContact CE2-CB 4.29Å; F105-Q143 HydrophobicContact CE2-CG 4.25Å; F105-Q143 HydrophobicContact CZ-CB 3.4Å; F105-Q143 HydrophobicContact CZ-CG 3.7Å; F105-Q143 PolarHBondContact O-NE2 3.33Å
106S97.4Very high93.5Very high60 Ų6072.1 Ų72.142%0.4236%0.364SS..Hα-helixtrans-68.3-32.2-177.6-55.80000112.6H102 V103 R108 Q143H102-S106 VanDerWaalsContact O-CB 3.29Å; H102-S106 WeakPolarHBondContact O-CB 3.31Å; H102-S106 PolarHBondContact O-N 3.41Å; H102-S106 PolarHBondContact O-OG 3.15Å; V103-S106 PolarHBondContact O-N 3.49Å; S106-R108 PolarHBondContact O-N 2.87Å; S106-Q143 PolarHBondContact O-NE2 3.1Å
107M97.3Very high95Very high136 Ų13675 Ų7567%0.6737%0.372SS*.THydrogen-bonded Turntrans-81.10.9176.2-71.2-175.6173.600113.5V103 H104 F105 F109V103-M107 HydrophobicContact CG1-CE 3.79Å; V103-M107 HydrophobicContact CG1-CG 4.3Å; V103-M107 HydrophobicContact CG1-SD 3.77Å; V103-M107 WeakPolarHBondContact O-CB 3.31Å; V103-M107 VanDerWaalsContact O-CG 3.31Å; V103-M107 WeakPolarHBondContact O-CG 3.46Å; V103-M107 PolarHBondContact O-N 3.22Å; H104-M107 PolarHBondContact O-N 3.15Å; F105-M107 VanDerWaalsContact C-N 3.33Å; F105-M107 PolarHBondContact O-N 3.2Å; M107-F109 VanDerWaalsContact O-CD2 3.27Å; M107-F109 WeakPolarHBondContact O-CD2 3.19Å; M107-F109 PolarHBondContact O-N 2.83Å
108R98Very high95.7Very high36 Ų3676.9 Ų76.914%0.13637%0.373CS..  trans-83.5106.7178.6-175.151.4170.7102.86.6110.6H104 F105 S106 E114 F119 L123 L126 Q143H104-R108 PolarHBondContact O-N 3.25Å; F105-R108 WeakPolarHBondContact O-CB 3.06Å; F105-R108 PolarHBondContact O-N 3.48Å; F105-R108 VanDerWaalsContact O-N 3.15Å; S106-R108 PolarHBondContact O-N 2.87Å; R108-E114 IonicContact CZ-OE1 3.8Å; R108-E114 IonicContact CZ-OE2 2.75Å; R108-E114 IonicContact NH1-OE1 2.69Å; R108-E114 IonicContact NH1-OE2 3.04Å; R108-E114 PolarHBondContact NH1-OE2 3.46Å; R108-E114 IonicContact NH2-OE1 3.41Å; R108-E114 PolarHBondContact NH2-OE1 2.87Å; R108-E114 IonicContact NH2-OE2 3.48Å; R108-E114 PolarHBondContact NH2-OE2 3.18Å; R108-F119 HydrophobicContact CG-CD2 4.46Å; R108-F119 HydrophobicContact CG-CE2 4.07Å; R108-L123 HydrophobicContact CB-CD2 3.67Å; R108-L123 HydrophobicContact CG-CD2 3.61Å; R108-L123 HydrophobicContact CG-CG 4.22Å; R108-L126 HydrophobicContact CB-CD1 3.7Å; R108-L126 HydrophobicContact CG-CD1 3.8Å; R108-Q143 PolarHBondContact O-NE2 2.87Å
109F98.3Very high96.2Very high90 Ų9074.3 Ų74.340%0.39536%0.358SS..  trans-111.7141.3172.6-67.1-93000110.3M107 I146 G147 N149M107-F109 VanDerWaalsContact O-CD2 3.27Å; M107-F109 WeakPolarHBondContact O-CD2 3.19Å; M107-F109 PolarHBondContact O-N 2.83Å; F109-I146 HydrophobicContact CE1-CG2 4.19Å; F109-I146 HydrophobicContact CZ-CG2 4.44Å; F109-G147 CarbonylContact C-O 3.45Å; F109-G147 WeakPolarHBondContact CA-O 3.15Å; F109-N149 HydrophobicContact CB-CB 4.31Å
110R98.3Very high96.5Very high12 Ų1268.5 Ų68.55%0.04533%0.329CS..  trans-56137.5174.3-173.2-179.483.1-158.59.3110.1E114 F119 G147 I148 N149R110-E114 WeakPolarHBondContact CA-OE2 3Å; R110-E114 WeakPolarHBondContact CD-O 3.41Å; R110-E114 HydrophobicContact CG-CB 4.24Å; R110-E114 HydrophobicContact CG-CG 4.25Å; R110-F119 HydrophobicContact CB-CB 4.02Å; R110-F119 HydrophobicContact CB-CD1 3.91Å; R110-F119 HydrophobicContact CB-CD2 3.77Å; R110-F119 HydrophobicContact CB-CE1 4.28Å; R110-F119 HydrophobicContact CB-CE2 4.17Å; R110-F119 HydrophobicContact CB-CG 3.62Å; R110-F119 HydrophobicContact CB-CZ 4.4Å; R110-F119 HydrophobicContact CG-CB 3.77Å; R110-F119 HydrophobicContact CG-CD1 4.37Å; R110-F119 HydrophobicContact CG-CD2 4.45Å; R110-F119 HydrophobicContact CG-CG 3.96Å; R110-F119 VanDerWaalsContact N-CE2 3.27Å; R110-G147 PolarHBondContact N-O 3.2Å; R110-I148 PolarHBondContact NE-O 2.97Å; R110-I148 VanDerWaalsContact NH1-CG1 3.3Å; R110-I148 PolarHBondContact NH1-O 3.24Å; R110-N149 HydrophobicContact CB-CB 4.3Å; R110-N149 WeakPolarHBondContact O-CB 3.22Å; R110-N149 PolarHBondContact O-ND2 3.24Å
111R97.7Very high96.8Very high164 Ų16469.2 Ų69.262%0.61934%0.335SS*.  trans-81.7153.4172.2-59175.3-179156.6-0.3110.3N113 E114R111-N113 WeakPolarHBondContact CB-OD1 3.48Å; R111-N113 PolarHBondContact O-N 3.36Å; R111-N113 VanDerWaalsContact O-N 3.13Å; R111-E114 HydrophobicContact CB-CB 3.84Å; R111-E114 PolarHBondContact N-OE2 3.3Å; R111-E114 WeakPolarHBondContact O-CB 3.49Å; R111-E114 PolarHBondContact O-N 3.15Å
112K93.4Very high97Very high199 Ų19970 Ų7087%0.86534%0.344SS*.THydrogen-bonded Turntrans-58.6-29.5179.8-70.6-172176.4-1760113.6
113N94.5Very high97.1Very high144 Ų14467.5 Ų67.577%0.7733%0.332SS*.THydrogen-bonded Turntrans-101.916.5-179.565.7-38.4000113.2R111R111-N113 WeakPolarHBondContact CB-OD1 3.48Å; R111-N113 PolarHBondContact O-N 3.36Å; R111-N113 VanDerWaalsContact O-N 3.13Å
114E97.3Very high97.2Very high25 Ų2570.3 Ų70.312%0.11734%0.337CS..SBendtrans-112.7133.1-179.5171175-127.100109.3R108 R110 R111 Q118 F119R108-E114 IonicContact CZ-OE1 3.8Å; R108-E114 IonicContact CZ-OE2 2.75Å; R108-E114 IonicContact NH1-OE1 2.69Å; R108-E114 IonicContact NH1-OE2 3.04Å; R108-E114 PolarHBondContact NH1-OE2 3.46Å; R108-E114 IonicContact NH2-OE1 3.41Å; R108-E114 PolarHBondContact NH2-OE1 2.87Å; R108-E114 IonicContact NH2-OE2 3.48Å; R108-E114 PolarHBondContact NH2-OE2 3.18Å; R110-E114 WeakPolarHBondContact CA-OE2 3Å; R110-E114 WeakPolarHBondContact CD-O 3.41Å; R110-E114 HydrophobicContact CG-CB 4.24Å; R110-E114 HydrophobicContact CG-CG 4.25Å; R111-E114 HydrophobicContact CB-CB 3.84Å; R111-E114 PolarHBondContact N-OE2 3.3Å; R111-E114 WeakPolarHBondContact O-CB 3.49Å; R111-E114 PolarHBondContact O-N 3.15Å; E114-Q118 HydrophobicContact CG-CB 3.68Å; E114-F119 HydrophobicContact CG-CB 4.12Å
115S97.5Very high97.1Very high29 Ų2967.3 Ų67.320%0.20333%0.332CS..  trans-71.3158.4177.472.80000112.3M117 Q118 F119 E179S115-M117 PolarHBondContact O-N 3.25Å; S115-Q118 PolarHBondContact O-N 3.42Å; S115-Q118 WeakPolarHBondContact OG-CG 3.37Å; S115-Q118 PolarHBondContact OG-N 2.96Å; S115-F119 PolarHBondContact O-N 3.17Å; S115-E179 WeakPolarHBondContact CA-OE1 3.4Å; S115-E179 WeakPolarHBondContact CB-OE1 3.45Å
116V98Very high97Very high0 Ų069.6 Ų69.60%034%0.344CS..Hα-helixtrans-54.4-44.5174.7174.10000110.8F119 V120 I148 W153 A175 E179V116-F119 PolarHBondContact O-N 3Å; V116-V120 HydrophobicContact CG1-CG2 4.22Å; V116-V120 WeakPolarHBondContact O-CB 3.39Å; V116-V120 VanDerWaalsContact O-CG2 3.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.39Å; V116-V120 PolarHBondContact O-N 3.1Å; V116-I148 HydrophobicContact CG2-CD1 4.2Å; V116-W153 HydrophobicContact CG2-CZ3 3.7Å; V116-A175 HydrophobicContact CG1-CB 3.75Å; V116-A175 HydrophobicContact CG2-CB 4.38Å; V116-E179 HydrophobicContact CG2-CB 3.94Å; V116-E179 HydrophobicContact CG2-CG 4.49Å; V116-E179 PolarHBondContact N-OE1 3.24Å
117M97.7Very high96.9Very high125 Ų12566.9 Ų66.962%0.61633%0.326SS*.Hα-helixtrans-62.4-44178.6176.6172.442.500112.5S115 F119 V120 N121S115-M117 PolarHBondContact O-N 3.25Å; M117-F119 VanDerWaalsContact C-N 3.34Å; M117-F119 PolarHBondContact O-N 3.03Å; M117-V120 PolarHBondContact O-N 3.4Å; M117-N121 WeakPolarHBondContact O-CB 3.34Å; M117-N121 PolarHBondContact O-N 2.93Å; M117-N121 PolarHBondContact O-ND2 3.19Å
118Q98.1Very high96.5Very high109 Ų10963.5 Ų63.551%0.50933%0.326SS..Hα-helixtrans-62.1-43.3176.6-75.7171.6-24.100111.5E114 S115 N121 A122E114-Q118 HydrophobicContact CG-CB 3.68Å; S115-Q118 PolarHBondContact O-N 3.42Å; S115-Q118 WeakPolarHBondContact OG-CG 3.37Å; S115-Q118 PolarHBondContact OG-N 2.96Å; Q118-N121 PolarHBondContact O-N 3.32Å; Q118-A122 PolarHBondContact O-N 3.44Å
119F98.4Very high96Very high0 Ų065.4 Ų65.40%034%0.335CS..Hα-helixtrans-62.8-48.6177.1167-119.3000112.9R108 R110 E114 S115 V116 M117 N121 A122 L123 G147R108-F119 HydrophobicContact CG-CD2 4.46Å; R108-F119 HydrophobicContact CG-CE2 4.07Å; R110-F119 HydrophobicContact CB-CB 4.02Å; R110-F119 HydrophobicContact CB-CD1 3.91Å; R110-F119 HydrophobicContact CB-CD2 3.77Å; R110-F119 HydrophobicContact CB-CE1 4.28Å; R110-F119 HydrophobicContact CB-CE2 4.17Å; R110-F119 HydrophobicContact CB-CG 3.62Å; R110-F119 HydrophobicContact CB-CZ 4.4Å; R110-F119 HydrophobicContact CG-CB 3.77Å; R110-F119 HydrophobicContact CG-CD1 4.37Å; R110-F119 HydrophobicContact CG-CD2 4.45Å; R110-F119 HydrophobicContact CG-CG 3.96Å; R110-F119 VanDerWaalsContact N-CE2 3.27Å; E114-F119 HydrophobicContact CG-CB 4.12Å; S115-F119 PolarHBondContact O-N 3.17Å; V116-F119 PolarHBondContact O-N 3Å; M117-F119 VanDerWaalsContact C-N 3.34Å; M117-F119 PolarHBondContact O-N 3.03Å; F119-N121 VanDerWaalsContact C-N 3.31Å; F119-N121 PolarHBondContact O-N 3.29Å; F119-A122 PolarHBondContact O-N 3.01Å; F119-L123 HydrophobicContact CD1-CD1 4.32Å; F119-L123 HydrophobicContact CD2-CD1 4.39Å; F119-L123 HydrophobicContact CD2-CG 4.24Å; F119-L123 HydrophobicContact CE1-CD1 3.69Å; F119-L123 HydrophobicContact CE2-CD1 3.76Å; F119-L123 HydrophobicContact CE2-CD2 4.18Å; F119-L123 HydrophobicContact CE2-CG 3.77Å; F119-L123 HydrophobicContact CZ-CD1 3.36Å; F119-L123 HydrophobicContact CZ-CD2 4.4Å; F119-L123 HydrophobicContact CZ-CG 3.93Å; F119-L123 PolarHBondContact O-N 3.32Å; F119-G147 VanDerWaalsContact CZ-C 3.48Å; F119-G147 WeakPolarHBondContact CZ-O 3.5Å
120V97.9Very high95.7Very high8 Ų861.1 Ų61.15%0.04832%0.316CS..Hα-helixtrans-59.6-42.8177.2166.30000111V116 M117 A122 L123 R124 V144 E172V116-V120 HydrophobicContact CG1-CG2 4.22Å; V116-V120 WeakPolarHBondContact O-CB 3.39Å; V116-V120 VanDerWaalsContact O-CG2 3.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.39Å; V116-V120 PolarHBondContact O-N 3.1Å; M117-V120 PolarHBondContact O-N 3.4Å; V120-A122 PolarHBondContact O-N 3.43Å; V120-L123 WeakPolarHBondContact O-CB 3.48Å; V120-L123 PolarHBondContact O-N 3.45Å; V120-R124 WeakPolarHBondContact O-CG 3.43Å; V120-R124 PolarHBondContact O-N 2.9Å; V120-V144 HydrophobicContact CG2-CG2 3.96Å; V120-E172 HydrophobicContact CG1-CG 4.21Å; V120-E172 WeakPolarHBondContact CG1-OE1 3.39Å; V120-E172 HydrophobicContact CG2-CG 4.08Å
121N97.2Very high95.4Very high97 Ų9766.7 Ų66.752%0.51935%0.347SS..Hα-helixtrans-63-42.6176.8-72.7-17.2000111.8M117 Q118 F119 L123 R124 G125M117-N121 WeakPolarHBondContact O-CB 3.34Å; M117-N121 PolarHBondContact O-N 2.93Å; M117-N121 PolarHBondContact O-ND2 3.19Å; Q118-N121 PolarHBondContact O-N 3.32Å; F119-N121 VanDerWaalsContact C-N 3.31Å; F119-N121 PolarHBondContact O-N 3.29Å; N121-L123 VanDerWaalsContact C-N 3.34Å; N121-L123 PolarHBondContact O-N 3.02Å; N121-R124 PolarHBondContact O-N 2.7Å; N121-G125 PolarHBondContact O-N 3.36Å
122A97.1Very high95.2Very high34 Ų3460 Ų6028%0.28132%0.322SS..Hα-helixtrans-63.3-39.2174.800000112.3Q118 F119 V120 G125 L126Q118-A122 PolarHBondContact O-N 3.44Å; F119-A122 PolarHBondContact O-N 3.01Å; V120-A122 PolarHBondContact O-N 3.43Å; A122-G125 PolarHBondContact O-N 3.33Å; A122-L126 PolarHBondContact O-N 3.17Å; A122-L126 VanDerWaalsContact O-N 3.15Å
123L97.5Very high95.3Very high0 Ų053.3 Ų53.30%031%0.309CS..Hα-helixtrans-61.9-45.1173.9-80.2179.4000112.2F105 R108 F119 V120 N121 G125 L126 A127 L140 Q143 V144F105-L123 HydrophobicContact CD2-CD2 4.2Å; F105-L123 HydrophobicContact CE2-CD2 4.01Å; R108-L123 HydrophobicContact CB-CD2 3.67Å; R108-L123 HydrophobicContact CG-CD2 3.61Å; R108-L123 HydrophobicContact CG-CG 4.22Å; F119-L123 HydrophobicContact CD1-CD1 4.32Å; F119-L123 HydrophobicContact CD2-CD1 4.39Å; F119-L123 HydrophobicContact CD2-CG 4.24Å; F119-L123 HydrophobicContact CE1-CD1 3.69Å; F119-L123 HydrophobicContact CE2-CD1 3.76Å; F119-L123 HydrophobicContact CE2-CD2 4.18Å; F119-L123 HydrophobicContact CE2-CG 3.77Å; F119-L123 HydrophobicContact CZ-CD1 3.36Å; F119-L123 HydrophobicContact CZ-CD2 4.4Å; F119-L123 HydrophobicContact CZ-CG 3.93Å; F119-L123 PolarHBondContact O-N 3.32Å; V120-L123 WeakPolarHBondContact O-CB 3.48Å; V120-L123 PolarHBondContact O-N 3.45Å; N121-L123 VanDerWaalsContact C-N 3.34Å; N121-L123 PolarHBondContact O-N 3.02Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 2.56Å; L123-L126 PolarHBondContact O-N 3.48Å; L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 2.71Å; L123-L140 HydrophobicContact CB-CD2 3.92Å; L123-Q143 HydrophobicContact CD1-CB 4.38Å; L123-Q143 HydrophobicContact CD1-CG 4.03Å; L123-Q143 HydrophobicContact CD2-CB 4.48Å; L123-Q143 HydrophobicContact CD2-CG 3.5Å; L123-Q143 HydrophobicContact CG-CG 4.44Å; L123-V144 HydrophobicContact CD1-CG2 3.91Å
124R96.7Very high95.3Very high107 Ų10754.8 Ų54.840%0.40432%0.317SS..Hα-helixtrans-59.8-40.4177.1-72174-176.9-92.28.2111.6V120 N121 A127 G128 L140 E172V120-R124 WeakPolarHBondContact O-CG 3.43Å; V120-R124 PolarHBondContact O-N 2.9Å; N121-R124 PolarHBondContact O-N 2.7Å; R124-A127 PolarHBondContact O-N 3.24Å; R124-G128 PolarHBondContact O-N 3.41Å; R124-L140 HydrophobicContact CG-CD1 4.07Å; R124-L140 HydrophobicContact CG-CD2 4.05Å; R124-E172 IonicContact CZ-OE1 3.04Å; R124-E172 IonicContact NE-OE1 2.73Å; R124-E172 PolarHBondContact NE-OE1 2.93Å; R124-E172 VanDerWaalsContact NH2-CD 3.27Å; R124-E172 IonicContact NH2-OE1 3.95Å; R124-E172 PolarHBondContact NH2-OE1 3.26Å; R124-E172 IonicContact NH2-OE2 2.95Å; R124-E172 PolarHBondContact NH2-OE2 3.04Å
125G93.3Very high95.2Very high33 Ų3355 Ų5534%0.3432%0.323SS..Hα-helixtrans-61.1-43.3174.600000113.4N121 A122 L123N121-G125 PolarHBondContact O-N 3.36Å; A122-G125 PolarHBondContact O-N 3.33Å; L123-G125 VanDerWaalsContact C-N 3.29Å; L123-G125 PolarHBondContact O-N 2.56Å
126L94.6Very high95.2Very high53 Ų5356.8 Ų56.828%0.27733%0.33SS..Hα-helixtrans-69.2-41.5176.2-67.6173.1000112.3H104 F105 R108 A122 L123 G128 K129 C130H104-L126 HydrophobicContact CB-CD2 4.46Å; F105-L126 HydrophobicContact CB-CB 4.39Å; F105-L126 HydrophobicContact CD2-CB 4.29Å; R108-L126 HydrophobicContact CB-CD1 3.7Å; R108-L126 HydrophobicContact CG-CD1 3.8Å; A122-L126 PolarHBondContact O-N 3.17Å; A122-L126 VanDerWaalsContact O-N 3.15Å; L123-L126 PolarHBondContact O-N 3.48Å; L126-G128 PolarHBondContact O-N 3.39Å; L126-K129 PolarHBondContact O-N 2.81Å; L126-K129 VanDerWaalsContact O-N 3.15Å; L126-C130 PolarHBondContact O-SG 3.42Å
127A95.3Very high95.2Very high4 Ų460.2 Ų60.23%0.03335%0.354CS..Hα-helixtrans-62-27.8-178.900000112.8F105 L123 R124 K129 C130 F132 L136 L140F105-A127 HydrophobicContact CD2-CB 3.95Å; F105-A127 HydrophobicContact CE2-CB 3.8Å; L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 2.71Å; R124-A127 PolarHBondContact O-N 3.24Å; A127-K129 PolarHBondContact O-N 3.18Å; A127-C130 WeakPolarHBondContact O-CB 3.45Å; A127-C130 PolarHBondContact O-N 2.82Å; A127-C130 VanDerWaalsContact O-N 3.09Å; A127-F132 HydrophobicContact CB-CD2 4.13Å; A127-F132 HydrophobicContact CB-CE2 4.04Å; A127-L136 HydrophobicContact CB-CD1 3.59Å; A127-L140 HydrophobicContact CB-CD2 3.98Å; A127-L140 HydrophobicContact CB-CG 4.25Å
128G89.1Confident95.2Very high64 Ų6459.6 Ų59.666%0.6635%0.35SS*.THydrogen-bonded Turntrans-60.3-23176.300000114.5R124 L126R124-G128 PolarHBondContact O-N 3.41Å; L126-G128 PolarHBondContact O-N 3.39Å
129K87.6Confident95.1Very high77 Ų7760.5 Ų60.534%0.33535%0.349SS..THydrogen-bonded Turntrans-96.5-3.4178-52.9-175.7-169.8-174.40113.3E24 D101 L126 A127E24-K129 IonicContact OE1-NZ 3.66Å; E24-K129 PolarHBondContact OE1-NZ 3.39Å; E24-K129 IonicContact OE2-NZ 3.37Å; E24-K129 PolarHBondContact OE2-NZ 3.34Å; D101-K129 HydrophobicContact CB-CB 4.09Å; L126-K129 PolarHBondContact O-N 2.81Å; L126-K129 VanDerWaalsContact O-N 3.15Å; A127-K129 PolarHBondContact O-N 3.18Å
130C91.8Very high95.1Very high0 Ų060.7 Ų60.70%035%0.35CS..THydrogen-bonded Turntrans-91.6-1.1-169.7-67.60000114.5V98 D101 H102 L126 A127 F132V98-C130 WeakPolarHBondContact CG1-O 3.3Å; D101-C130 VanDerWaalsContact C-SG 3.53Å; D101-C130 PolarHBondContact O-SG 2.87Å; H102-C130 PolarHBondContact CD2-O 3.42Å; H102-C130 PolarHBondContact NE2-O 2.92Å; L126-C130 PolarHBondContact O-SG 3.42Å; A127-C130 WeakPolarHBondContact O-CB 3.45Å; A127-C130 PolarHBondContact O-N 2.82Å; A127-C130 VanDerWaalsContact O-N 3.09Å; C130-F132 HydrophobicContact CB-CD1 3.93Å; C130-F132 HydrophobicContact CB-CD2 3.54Å; C130-F132 HydrophobicContact CB-CE1 3.72Å; C130-F132 HydrophobicContact CB-CE2 3.3Å; C130-F132 HydrophobicContact CB-CG 3.85Å; C130-F132 HydrophobicContact CB-CZ 3.4Å; C130-F132 PolarHBondContact O-N 3.24Å
131D91.8Very high95.1Very high129 Ų12961.4 Ų61.469%0.6935%0.351SS*.THydrogen-bonded Turntrans48.635.4-176.6-67.9-18000114.2V98 G133V98-D131 HydrophobicContact CG1-CB 4.16Å; V98-D131 WeakPolarHBondContact CG2-OD2 3.46Å; D131-G133 PolarHBondContact O-N 3.28Å; D131-G133 VanDerWaalsContact O-N 3.14Å
132F95.2Very high95.2Very high24 Ų2460.1 Ų60.111%0.10534%0.344CS..  trans-65.9-16.9-177.7-69.3-43.8000113.7H102 F105 A127 C130 N134 A135 L136 R139H102-F132 AromaticContact CD2-CE1 3.73Å; H102-F132 AromaticContact CE1-CD1 3.92Å; H102-F132 AromaticContact CE1-CE1 3.51Å; H102-F132 AromaticContact CG-CE1 3.98Å; H102-F132 AromaticContact ND1-CE1 3.85Å; H102-F132 AromaticContact NE2-CD1 3.75Å; H102-F132 AromaticContact NE2-CE1 3.42Å; H102-F132 WeakPolarHBondContact NE2-CE1 3.24Å; F105-F132 AromaticContact CD1-CE2 3.94Å; F105-F132 HydrophobicContact CD1-CE2 3.94Å; F105-F132 AromaticContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD1-CZ 3.65Å; F105-F132 HydrophobicContact CD2-CE2 4.08Å; F105-F132 AromaticContact CE1-CE2 3.96Å; F105-F132 HydrophobicContact CE1-CE2 3.96Å; F105-F132 AromaticContact CE1-CZ 3.9Å; F105-F132 HydrophobicContact CE1-CZ 3.9Å; F105-F132 HydrophobicContact CE2-CE2 4.11Å; F105-F132 AromaticContact CG-CE2 4Å; F105-F132 HydrophobicContact CG-CE2 4Å; F105-F132 AromaticContact CG-CZ 3.99Å; F105-F132 HydrophobicContact CG-CZ 3.99Å; F105-F132 HydrophobicContact CZ-CE2 4.04Å; F105-F132 HydrophobicContact CZ-CZ 4.45Å; A127-F132 HydrophobicContact CB-CD2 4.13Å; A127-F132 HydrophobicContact CB-CE2 4.04Å; C130-F132 HydrophobicContact CB-CD1 3.93Å; C130-F132 HydrophobicContact CB-CD2 3.54Å; C130-F132 HydrophobicContact CB-CE1 3.72Å; C130-F132 HydrophobicContact CB-CE2 3.3Å; C130-F132 HydrophobicContact CB-CG 3.85Å; C130-F132 HydrophobicContact CB-CZ 3.4Å; C130-F132 PolarHBondContact O-N 3.24Å; F132-N134 PolarHBondContact O-N 3Å; F132-A135 WeakPolarHBondContact O-CB 3.29Å; F132-A135 PolarHBondContact O-N 3.42Å; F132-L136 HydrophobicContact CB-CB 4.18Å; F132-L136 HydrophobicContact CB-CD1 4.45Å; F132-L136 HydrophobicContact CD2-CD1 3.99Å; F132-R139 HydrophobicContact CB-CG 4.46Å; F132-R139 HydrophobicContact CD1-CB 4.42Å; F132-R139 HydrophobicContact CD1-CG 3.81Å; F132-R139 HydrophobicContact CD2-CB 3.96Å; F132-R139 HydrophobicContact CD2-CG 4.21Å; F132-R139 HydrophobicContact CE1-CB 4.42Å; F132-R139 HydrophobicContact CE1-CG 4Å; F132-R139 HydrophobicContact CE2-CB 3.96Å; F132-R139 HydrophobicContact CE2-CG 4.38Å; F132-R139 HydrophobicContact CG-CB 4.21Å; F132-R139 HydrophobicContact CG-CG 3.93Å; F132-R139 HydrophobicContact CZ-CB 4.2Å; F132-R139 HydrophobicContact CZ-CG 4.28Å
133G94.1Very high95.2Very high57 Ų5759 Ų5959%0.58833%0.333SS*.G310 helixtrans52.7-130.1-17900000111.9D131 A135 L136D131-G133 PolarHBondContact O-N 3.28Å; D131-G133 VanDerWaalsContact O-N 3.14Å; G133-A135 PolarHBondContact O-N 2.96Å; G133-A135 VanDerWaalsContact O-N 3.14Å; G133-L136 WeakPolarHBondContact O-CB 3.45Å; G133-L136 PolarHBondContact O-N 3.42Å; G133-L136 VanDerWaalsContact O-N 3.15Å
134N95.4Very high95.2Very high175 Ų17559 Ų5994%0.93633%0.334SS*.G310 helixtrans-64.2-18.2-178.8-63.7-18.6000113.8F132 L136F132-N134 PolarHBondContact O-N 3Å; N134-L136 VanDerWaalsContact C-N 3.32Å
135A96Very high95.3Very high29 Ų2955 Ų5524%0.2432%0.321CS..G310 helixtrans-85.4-1.117900000113.3F132 G133 S137 E138 R139F132-A135 WeakPolarHBondContact O-CB 3.29Å; F132-A135 PolarHBondContact O-N 3.42Å; G133-A135 PolarHBondContact O-N 2.96Å; G133-A135 VanDerWaalsContact O-N 3.14Å; A135-S137 VanDerWaalsContact C-N 3.34Å; A135-S137 PolarHBondContact O-N 2.64Å; A135-E138 PolarHBondContact O-N 3.5Å; A135-E138 VanDerWaalsContact O-N 3.1Å; A135-R139 HydrophobicContact CB-CG 4.31Å; A135-R139 VanDerWaalsContact O-CG 3.31Å; A135-R139 WeakPolarHBondContact O-CG 3.48Å; A135-R139 PolarHBondContact O-N 3.04Å
136L96.8Very high95.5Very high68 Ų6857.7 Ų57.736%0.35633%0.326SS..Hα-helixtrans-51.2-49.3-174.9174.661.3000112.9A127 F132 G133 N134 E138 R139 L140A127-L136 HydrophobicContact CB-CD1 3.59Å; F132-L136 HydrophobicContact CB-CB 4.18Å; F132-L136 HydrophobicContact CB-CD1 4.45Å; F132-L136 HydrophobicContact CD2-CD1 3.99Å; G133-L136 WeakPolarHBondContact O-CB 3.45Å; G133-L136 PolarHBondContact O-N 3.42Å; G133-L136 VanDerWaalsContact O-N 3.15Å; N134-L136 VanDerWaalsContact C-N 3.32Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-E138 PolarHBondContact O-N 2.97Å; L136-R139 PolarHBondContact O-N 3.24Å; L136-L140 HydrophobicContact CD1-CD1 3.77Å; L136-L140 HydrophobicContact CD1-CG 4.18Å; L136-L140 HydrophobicContact CG-CD1 3.99Å; L136-L140 WeakPolarHBondContact O-CB 3.26Å; L136-L140 WeakPolarHBondContact O-CG 3.15Å; L136-L140 PolarHBondContact O-N 3.09Å
137S96.8Very high95.7Very high72 Ų7255.1 Ų55.150%0.50331%0.313SS..Hα-helixtrans-65.3-37.7-178.8-59.70000112.5A135 R141A135-S137 VanDerWaalsContact C-N 3.34Å; A135-S137 PolarHBondContact O-N 2.64Å; S137-R141 VanDerWaalsContact O-CB 3.27Å; S137-R141 WeakPolarHBondContact O-CB 3.41Å; S137-R141 PolarHBondContact O-N 2.81Å
138E97.5Very high95.8Very high111 Ų11155 Ų5552%0.51931%0.312SS..Hα-helixtrans-67.4-45.9177.3-61.6176.1175.200110.9A135 L136 L140 R141 D142A135-E138 PolarHBondContact O-N 3.5Å; A135-E138 VanDerWaalsContact O-N 3.1Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-E138 PolarHBondContact O-N 2.97Å; E138-L140 PolarHBondContact O-N 3.39Å; E138-R141 WeakPolarHBondContact O-CB 3.11Å; E138-R141 PolarHBondContact O-N 3.2Å; E138-D142 PolarHBondContact O-N 3.44Å
139R97.7Very high96.2Very high129 Ų12956 Ų5649%0.48730%0.302SS..Hα-helixtrans-62.1-45.3178.5-66.1-67-178.5158.81.4111.9F105 F132 A135 L136 Q143F105-R139 HydrophobicContact CE1-CB 4.32Å; F105-R139 HydrophobicContact CZ-CB 4.31Å; F105-R139 WeakPolarHBondContact CZ-O 2.96Å; F132-R139 HydrophobicContact CB-CG 4.46Å; F132-R139 HydrophobicContact CD1-CB 4.42Å; F132-R139 HydrophobicContact CD1-CG 3.81Å; F132-R139 HydrophobicContact CD2-CB 3.96Å; F132-R139 HydrophobicContact CD2-CG 4.21Å; F132-R139 HydrophobicContact CE1-CB 4.42Å; F132-R139 HydrophobicContact CE1-CG 4Å; F132-R139 HydrophobicContact CE2-CB 3.96Å; F132-R139 HydrophobicContact CE2-CG 4.38Å; F132-R139 HydrophobicContact CG-CB 4.21Å; F132-R139 HydrophobicContact CG-CG 3.93Å; F132-R139 HydrophobicContact CZ-CB 4.2Å; F132-R139 HydrophobicContact CZ-CG 4.28Å; A135-R139 HydrophobicContact CB-CG 4.31Å; A135-R139 VanDerWaalsContact O-CG 3.31Å; A135-R139 WeakPolarHBondContact O-CG 3.48Å; A135-R139 PolarHBondContact O-N 3.04Å; L136-R139 PolarHBondContact O-N 3.24Å; R139-Q143 VanDerWaalsContact O-CB 3.26Å; R139-Q143 WeakPolarHBondContact O-CB 3.48Å; R139-Q143 PolarHBondContact O-N 3.48Å
140L98.1Very high96.6Very high4 Ų453.7 Ų53.72%0.02129%0.293CS..Hα-helixtrans-60.2-46.5174.3-79.8167000111.2F105 L123 R124 A127 L136 E138 D142 Q143 V144 L168F105-L140 HydrophobicContact CE2-CD2 3.9Å; F105-L140 HydrophobicContact CZ-CD2 4.39Å; L123-L140 HydrophobicContact CB-CD2 3.92Å; R124-L140 HydrophobicContact CG-CD1 4.07Å; R124-L140 HydrophobicContact CG-CD2 4.05Å; A127-L140 HydrophobicContact CB-CD2 3.98Å; A127-L140 HydrophobicContact CB-CG 4.25Å; L136-L140 HydrophobicContact CD1-CD1 3.77Å; L136-L140 HydrophobicContact CD1-CG 4.18Å; L136-L140 HydrophobicContact CG-CD1 3.99Å; L136-L140 WeakPolarHBondContact O-CB 3.26Å; L136-L140 WeakPolarHBondContact O-CG 3.15Å; L136-L140 PolarHBondContact O-N 3.09Å; E138-L140 PolarHBondContact O-N 3.39Å; L140-D142 PolarHBondContact O-N 3.12Å; L140-Q143 PolarHBondContact O-N 2.89Å; L140-V144 VanDerWaalsContact O-CG2 3.3Å; L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 3.25Å; L140-L168 HydrophobicContact CB-CD1 3.82Å; L140-L168 HydrophobicContact CB-CD2 3.75Å; L140-L168 HydrophobicContact CB-CG 4.43Å; L140-L168 HydrophobicContact CD1-CD2 3.86Å; L140-L168 HydrophobicContact CG-CD2 4.45Å
141R98Very high96.8Very high23 Ų2358.9 Ų58.99%0.08733%0.325CS..Hα-helixtrans-59.2-50.7-178.4177.7-159.563.9-150.7-7.8110.8S137 E138 Q143 V144 V145 N164 A166 L168 V171S137-R141 VanDerWaalsContact O-CB 3.27Å; S137-R141 WeakPolarHBondContact O-CB 3.41Å; S137-R141 PolarHBondContact O-N 2.81Å; E138-R141 WeakPolarHBondContact O-CB 3.11Å; E138-R141 PolarHBondContact O-N 3.2Å; R141-Q143 VanDerWaalsContact C-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.17Å; R141-V144 PolarHBondContact O-N 2.95Å; R141-V145 PolarHBondContact O-N 3.25Å; R141-N164 PolarHBondContact NH1-O 3.05Å; R141-A166 WeakPolarHBondContact CD-O 3.25Å; R141-A166 PolarHBondContact NH1-O 3.42Å; R141-L168 HydrophobicContact CB-CB 4.28Å; R141-L168 HydrophobicContact CB-CD1 4.14Å; R141-V171 HydrophobicContact CG-CB 4.08Å; R141-V171 HydrophobicContact CG-CG1 4.48Å; R141-V171 HydrophobicContact CG-CG2 3.58Å
142D97.7Very high97.1Very high69 Ų6958.2 Ų58.237%0.36932%0.321SS..Hα-helixtrans-63.9-42-178.1-63-6000110.2E138 L140 V144 V145 I146E138-D142 PolarHBondContact O-N 3.44Å; L140-D142 PolarHBondContact O-N 3.12Å; D142-V144 VanDerWaalsContact C-N 3.33Å; D142-V144 PolarHBondContact O-N 2.89Å; D142-V145 PolarHBondContact O-N 3.47Å; D142-I146 VanDerWaalsContact O-CG1 3.27Å; D142-I146 WeakPolarHBondContact O-CG1 3.47Å; D142-I146 PolarHBondContact O-N 3.1Å
143Q98.2Very high97.2Very high11 Ų1157.8 Ų57.85%0.05132%0.319CS..Hα-helixtrans-68.4-29.2178-169.260.821.300113.2F105 S106 R108 L123 R139 L140 R141 V145 G147F105-Q143 HydrophobicContact CD1-CG 4.34Å; F105-Q143 HydrophobicContact CE1-CB 3.59Å; F105-Q143 HydrophobicContact CE1-CG 3.76Å; F105-Q143 HydrophobicContact CE2-CB 4.29Å; F105-Q143 HydrophobicContact CE2-CG 4.25Å; F105-Q143 HydrophobicContact CZ-CB 3.4Å; F105-Q143 HydrophobicContact CZ-CG 3.7Å; F105-Q143 PolarHBondContact O-NE2 3.33Å; S106-Q143 PolarHBondContact O-NE2 3.1Å; R108-Q143 PolarHBondContact O-NE2 2.87Å; L123-Q143 HydrophobicContact CD1-CB 4.38Å; L123-Q143 HydrophobicContact CD1-CG 4.03Å; L123-Q143 HydrophobicContact CD2-CB 4.48Å; L123-Q143 HydrophobicContact CD2-CG 3.5Å; L123-Q143 HydrophobicContact CG-CG 4.44Å; R139-Q143 VanDerWaalsContact O-CB 3.26Å; R139-Q143 WeakPolarHBondContact O-CB 3.48Å; R139-Q143 PolarHBondContact O-N 3.48Å; L140-Q143 PolarHBondContact O-N 2.89Å; R141-Q143 VanDerWaalsContact C-N 3.31Å; R141-Q143 PolarHBondContact O-N 3.17Å; Q143-V145 VanDerWaalsContact C-N 3.35Å; Q143-G147 VanDerWaalsContact O-CA 3.29Å; Q143-G147 WeakPolarHBondContact O-CA 3.43Å; Q143-G147 PolarHBondContact O-N 2.97Å
144V98.3Very high97.4Very high1 Ų158 Ų581%0.00631%0.305CS..Hα-helixtrans-62.6-44.7171.3169.40000110V120 L123 L140 R141 D142 I148 L168 V171 A175V120-V144 HydrophobicContact CG2-CG2 3.96Å; L123-V144 HydrophobicContact CD1-CG2 3.91Å; L140-V144 VanDerWaalsContact O-CG2 3.3Å; L140-V144 WeakPolarHBondContact O-CG2 3.31Å; L140-V144 PolarHBondContact O-N 3.25Å; R141-V144 PolarHBondContact O-N 2.95Å; D142-V144 VanDerWaalsContact C-N 3.33Å; D142-V144 PolarHBondContact O-N 2.89Å; V144-I148 WeakPolarHBondContact O-CB 3.4Å; V144-I148 PolarHBondContact O-N 2.77Å; V144-I148 VanDerWaalsContact O-N 3.12Å; V144-L168 HydrophobicContact CG2-CD1 4.35Å; V144-V171 HydrophobicContact CB-CG1 4.21Å; V144-V171 HydrophobicContact CG1-CG1 3.81Å; V144-A175 HydrophobicContact CG1-CB 4.45Å
145V98Very high97.5Very high23 Ų2356.1 Ų56.114%0.13929%0.29CS..Hα-helixtrans-67.8-45.4178.1-178.30000111.6R141 D142 Q143 Q154 L157 L158 V171R141-V145 PolarHBondContact O-N 3.25Å; D142-V145 PolarHBondContact O-N 3.47Å; Q143-V145 VanDerWaalsContact C-N 3.35Å; V145-Q154 HydrophobicContact CG1-CG 4.46Å; V145-Q154 PolarHBondContact O-NE2 3.38Å; V145-L157 HydrophobicContact CG1-CB 4.43Å; V145-L158 HydrophobicContact CG1-CD2 3.95Å; V145-L158 HydrophobicContact CG1-CG 4.23Å; V145-V171 HydrophobicContact CG2-CG1 3.64Å
146I97.6Very high97.6Very high88 Ų8856.7 Ų56.745%0.45129%0.288SS..Hα-helixtrans-65.7-48.7-180-66.7163.5000110.5F109 D142 Q154F109-I146 HydrophobicContact CE1-CG2 4.19Å; F109-I146 HydrophobicContact CZ-CG2 4.44Å; D142-I146 VanDerWaalsContact O-CG1 3.27Å; D142-I146 WeakPolarHBondContact O-CG1 3.47Å; D142-I146 PolarHBondContact O-N 3.1Å; I146-Q154 PolarHBondContact O-NE2 3.28Å
147G98Very high97.7Very high0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-85.7-2.6-169.900000115F109 R110 F119 Q143 N149F109-G147 CarbonylContact C-O 3.45Å; F109-G147 WeakPolarHBondContact CA-O 3.15Å; R110-G147 PolarHBondContact N-O 3.2Å; F119-G147 VanDerWaalsContact CZ-C 3.48Å; F119-G147 WeakPolarHBondContact CZ-O 3.5Å; Q143-G147 VanDerWaalsContact O-CA 3.29Å; Q143-G147 WeakPolarHBondContact O-CA 3.43Å; Q143-G147 PolarHBondContact O-N 2.97Å; G147-N149 PolarHBondContact O-N 2.95Å
148I98Very high97.7Very high0 Ų054.8 Ų54.80%027%0.272CS..THydrogen-bonded Turntrans-58-22.4-176-158.662.9000113.8R110 V116 V144 N150 W153 Q154 L157 A175R110-I148 PolarHBondContact NE-O 2.97Å; R110-I148 VanDerWaalsContact NH1-CG1 3.3Å; R110-I148 PolarHBondContact NH1-O 3.24Å; V116-I148 HydrophobicContact CG2-CD1 4.2Å; V144-I148 WeakPolarHBondContact O-CB 3.4Å; V144-I148 PolarHBondContact O-N 2.77Å; V144-I148 VanDerWaalsContact O-N 3.12Å; I148-N150 PolarHBondContact O-N 2.95Å; I148-W153 HydrophobicContact CD1-CE3 4.39Å; I148-W153 HydrophobicContact CG1-CB 4.45Å; I148-W153 HydrophobicContact CG1-CE3 4.08Å; I148-Q154 HydrophobicContact CG2-CB 3.8Å; I148-Q154 HydrophobicContact CG2-CG 4.49Å; I148-L157 HydrophobicContact CG1-CD1 4.34Å; I148-A175 HydrophobicContact CD1-CB 3.98Å
149N96.6Very high97.8Very high85 Ų8558 Ų5846%0.45528%0.279SS..  trans52.837.9174.1-162.623.2000114.5F109 R110 G147F109-N149 HydrophobicContact CB-CB 4.31Å; R110-N149 HydrophobicContact CB-CB 4.3Å; R110-N149 WeakPolarHBondContact O-CB 3.22Å; R110-N149 PolarHBondContact O-ND2 3.24Å; G147-N149 PolarHBondContact O-N 2.95Å
150N97.3Very high97.7Very high30 Ų3055.5 Ų55.516%0.1627%0.273CS..  trans-144.4112.7168.1-179-39000107.1I148 N152 W153 Q154I148-N150 PolarHBondContact O-N 2.95Å; N150-N152 VanDerWaalsContact C-N 3.32Å; N150-N152 PolarHBondContact O-N 3.21Å; N150-N152 PolarHBondContact OD1-N 2.83Å; N150-N152 VanDerWaalsContact OD1-N 3.15Å; N150-W153 HydrophobicContact CB-CB 4.04Å; N150-W153 HydrophobicContact CB-CD2 4.09Å; N150-W153 HydrophobicContact CB-CG 3.9Å; N150-W153 VanDerWaalsContact CG-CD1 3.48Å; N150-W153 PolarHBondContact ND2-NE1 3.09Å; N150-W153 PolarHBondContact O-N 3.33Å; N150-W153 PolarHBondContact OD1-N 3.04Å; N150-Q154 WeakPolarHBondContact O-CB 3.29Å; N150-Q154 PolarHBondContact O-N 2.61Å
151V96.8Very high97.7Very high109 Ų10957.4 Ų57.466%0.66128%0.281SS*.Hα-helixtrans-61.8-39.3-172.3176.80000111.7W153 Q154 Q155V151-W153 PolarHBondContact O-N 2.73Å; V151-Q154 PolarHBondContact O-N 3.21Å; V151-Q155 WeakPolarHBondContact O-CB 3.42Å; V151-Q155 PolarHBondContact O-N 3.29Å
152N97.2Very high97.6Very high114 Ų11461.8 Ų61.861%0.6131%0.313SS*.Hα-helixtrans-65.1-42.1178.6-65.5-29.9000111N150 E156N150-N152 VanDerWaalsContact C-N 3.32Å; N150-N152 PolarHBondContact O-N 3.21Å; N150-N152 PolarHBondContact OD1-N 2.83Å; N150-N152 VanDerWaalsContact OD1-N 3.15Å; N152-E156 WeakPolarHBondContact O-CB 3.5Å; N152-E156 PolarHBondContact O-N 2.99Å
153W97.8Very high97.4Very high16 Ų1661.9 Ų61.96%0.06132%0.319CS..Hα-helixtrans-70.8-39.5178.8-63.413.8000111.4V116 I148 N150 V151 E156 L157 L178 E179 E182V116-W153 HydrophobicContact CG2-CZ3 3.7Å; I148-W153 HydrophobicContact CD1-CE3 4.39Å; I148-W153 HydrophobicContact CG1-CB 4.45Å; I148-W153 HydrophobicContact CG1-CE3 4.08Å; N150-W153 HydrophobicContact CB-CB 4.04Å; N150-W153 HydrophobicContact CB-CD2 4.09Å; N150-W153 HydrophobicContact CB-CG 3.9Å; N150-W153 VanDerWaalsContact CG-CD1 3.48Å; N150-W153 PolarHBondContact ND2-NE1 3.09Å; N150-W153 PolarHBondContact O-N 3.33Å; N150-W153 PolarHBondContact OD1-N 3.04Å; V151-W153 PolarHBondContact O-N 2.73Å; W153-E156 PolarHBondContact O-N 3.13Å; W153-L157 WeakPolarHBondContact O-CB 3.48Å; W153-L157 VanDerWaalsContact O-CG 3.26Å; W153-L157 WeakPolarHBondContact O-CG 3.34Å; W153-L157 PolarHBondContact O-N 2.89Å; W153-L178 HydrophobicContact CB-CB 4.45Å; W153-L178 HydrophobicContact CB-CD1 3.87Å; W153-L178 HydrophobicContact CD2-CB 3.75Å; W153-L178 HydrophobicContact CE3-CB 3.95Å; W153-L178 HydrophobicContact CG-CB 3.92Å; W153-L178 HydrophobicContact CG-CD1 4.23Å; W153-E179 HydrophobicContact CH2-CB 3.45Å; W153-E179 VanDerWaalsContact CH2-CB 3.45Å; W153-E179 HydrophobicContact CH2-CG 3.99Å; W153-E179 HydrophobicContact CZ2-CB 4.33Å; W153-E179 HydrophobicContact CZ3-CB 3.67Å; W153-E179 HydrophobicContact CZ3-CG 4.49Å; W153-E182 HydrophobicContact CZ2-CB 3.76Å; W153-E182 HydrophobicContact CZ2-CG 4.27Å; W153-E182 WeakPolarHBondContact CZ2-OE2 3.34Å
154Q97.8Very high97.1Very high61 Ų6167.4 Ų67.429%0.28535%0.349SS..Hα-helixtrans-61.3-45.3175.4-175172.165.800111.2V145 I146 I148 N150 V151 E156 L157 L158V145-Q154 HydrophobicContact CG1-CG 4.46Å; V145-Q154 PolarHBondContact O-NE2 3.38Å; I146-Q154 PolarHBondContact O-NE2 3.28Å; I148-Q154 HydrophobicContact CG2-CB 3.8Å; I148-Q154 HydrophobicContact CG2-CG 4.49Å; N150-Q154 WeakPolarHBondContact O-CB 3.29Å; N150-Q154 PolarHBondContact O-N 2.61Å; V151-Q154 PolarHBondContact O-N 3.21Å; Q154-E156 VanDerWaalsContact C-N 3.3Å; Q154-E156 PolarHBondContact O-N 3.1Å; Q154-L157 PolarHBondContact O-N 3.39Å; Q154-L158 HydrophobicContact CG-CD1 4.16Å; Q154-L158 WeakPolarHBondContact O-CB 3.36Å; Q154-L158 VanDerWaalsContact O-CG 3.27Å; Q154-L158 WeakPolarHBondContact O-CG 3.23Å; Q154-L158 PolarHBondContact O-N 3.33Å
155Q98Very high97.1Very high136 Ų13671.1 Ų71.164%0.63638%0.38SS*.Hα-helixtrans-58.3-43.7174.1-179.5-178.5-16.700111.4V151 L158 R159V151-Q155 WeakPolarHBondContact O-CB 3.42Å; V151-Q155 PolarHBondContact O-N 3.29Å; Q155-L158 PolarHBondContact O-N 2.94Å; Q155-R159 WeakPolarHBondContact O-CB 3.39Å; Q155-R159 PolarHBondContact O-N 3.46Å
156E97.9Very high97Very high40 Ų4070.5 Ų70.519%0.18738%0.377CS..Hα-helixtrans-66.3-41.5179.3-174.452.3-143.200112.6N152 W153 Q154 R159 Q160 L178N152-E156 WeakPolarHBondContact O-CB 3.5Å; N152-E156 PolarHBondContact O-N 2.99Å; W153-E156 PolarHBondContact O-N 3.13Å; Q154-E156 VanDerWaalsContact C-N 3.3Å; Q154-E156 PolarHBondContact O-N 3.1Å; E156-R159 VanDerWaalsContact CD-CZ 3.46Å; E156-R159 WeakPolarHBondContact O-CB 3.4Å; E156-R159 PolarHBondContact O-N 3.36Å; E156-R159 IonicContact OE1-CZ 3.3Å; E156-R159 VanDerWaalsContact OE1-CZ 3.3Å; E156-R159 IonicContact OE1-NE 3.31Å; E156-R159 PolarHBondContact OE1-NE 2.95Å; E156-R159 IonicContact OE1-NH2 2.7Å; E156-R159 PolarHBondContact OE1-NH2 3.3Å; E156-R159 IonicContact OE2-CZ 2.85Å; E156-R159 IonicContact OE2-NE 3.16Å; E156-R159 PolarHBondContact OE2-NE 3.31Å; E156-R159 VanDerWaalsContact OE2-NE 3.16Å; E156-R159 IonicContact OE2-NH1 3.44Å; E156-R159 PolarHBondContact OE2-NH1 2.87Å; E156-R159 IonicContact OE2-NH2 2.76Å; E156-R159 PolarHBondContact OE2-NH2 3.27Å; E156-Q160 WeakPolarHBondContact O-CG 3.17Å; E156-Q160 PolarHBondContact O-N 3.42Å; E156-Q160 PolarHBondContact OE1-NE2 3.12Å; E156-L178 HydrophobicContact CB-CD1 4.1Å; E156-L178 HydrophobicContact CB-CD2 4.09Å; E156-L178 HydrophobicContact CG-CD1 4.1Å; E156-L178 HydrophobicContact CG-CD2 3.49Å; E156-L178 VanDerWaalsContact CG-CD2 3.49Å; E156-L178 HydrophobicContact CG-CG 4.41Å
157L98.3Very high97Very high1 Ų169.7 Ų69.71%0.00538%0.376CS..Hα-helixtrans-62.4-44.8174.5-71.4170.1000111.5V145 I148 W153 Q154 R159 Q160 F161 A174 A175 L178V145-L157 HydrophobicContact CG1-CB 4.43Å; I148-L157 HydrophobicContact CG1-CD1 4.34Å; W153-L157 WeakPolarHBondContact O-CB 3.48Å; W153-L157 VanDerWaalsContact O-CG 3.26Å; W153-L157 WeakPolarHBondContact O-CG 3.34Å; W153-L157 PolarHBondContact O-N 2.89Å; Q154-L157 PolarHBondContact O-N 3.39Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 2.98Å; L157-Q160 PolarHBondContact O-N 2.76Å; L157-F161 HydrophobicContact CD2-CD2 4.47Å; L157-F161 HydrophobicContact CD2-CE2 4.12Å; L157-F161 WeakPolarHBondContact O-CD2 3.33Å; L157-F161 PolarHBondContact O-N 2.9Å; L157-A174 HydrophobicContact CD2-CB 3.62Å; L157-A175 HydrophobicContact CD1-CB 4.4Å; L157-A175 HydrophobicContact CD2-CB 4.46Å; L157-L178 HydrophobicContact CD2-CD1 4.09Å; L157-L178 HydrophobicContact CG-CD1 3.89Å
158L97.6Very high97Very high99 Ų9970.5 Ų70.552%0.51838%0.38SS..Hα-helixtrans-64.6-32.7176.6-69.5171.6000112.2V145 Q154 Q155 F161V145-L158 HydrophobicContact CG1-CD2 3.95Å; V145-L158 HydrophobicContact CG1-CG 4.23Å; Q154-L158 HydrophobicContact CG-CD1 4.16Å; Q154-L158 WeakPolarHBondContact O-CB 3.36Å; Q154-L158 VanDerWaalsContact O-CG 3.27Å; Q154-L158 WeakPolarHBondContact O-CG 3.23Å; Q154-L158 PolarHBondContact O-N 3.33Å; Q155-L158 PolarHBondContact O-N 2.94Å; L158-F161 CarbonylContact O-C 3.51Å
159R98Very high97Very high180 Ų18076.4 Ų76.468%0.67941%0.408SS*.Hα-helixtrans-67.8-42.5173.3-173.6-179.775.1177.18.3112Q155 E156 L157Q155-R159 WeakPolarHBondContact O-CB 3.39Å; Q155-R159 PolarHBondContact O-N 3.46Å; E156-R159 VanDerWaalsContact CD-CZ 3.46Å; E156-R159 WeakPolarHBondContact O-CB 3.4Å; E156-R159 PolarHBondContact O-N 3.36Å; E156-R159 IonicContact OE1-CZ 3.3Å; E156-R159 VanDerWaalsContact OE1-CZ 3.3Å; E156-R159 IonicContact OE1-NE 3.31Å; E156-R159 PolarHBondContact OE1-NE 2.95Å; E156-R159 IonicContact OE1-NH2 2.7Å; E156-R159 PolarHBondContact OE1-NH2 3.3Å; E156-R159 IonicContact OE2-CZ 2.85Å; E156-R159 IonicContact OE2-NE 3.16Å; E156-R159 PolarHBondContact OE2-NE 3.31Å; E156-R159 VanDerWaalsContact OE2-NE 3.16Å; E156-R159 IonicContact OE2-NH1 3.44Å; E156-R159 PolarHBondContact OE2-NH1 2.87Å; E156-R159 IonicContact OE2-NH2 2.76Å; E156-R159 PolarHBondContact OE2-NH2 3.27Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 2.98Å
160Q97.5Very high97.1Very high75 Ų7576.6 Ų76.635%0.3541%0.406SS..Hα-helixtrans-71.9-33.7179-71.6179.537.700112.5E156 L157 P162E156-Q160 WeakPolarHBondContact O-CG 3.17Å; E156-Q160 PolarHBondContact O-N 3.42Å; E156-Q160 PolarHBondContact OE1-NE2 3.12Å; L157-Q160 PolarHBondContact O-N 2.76Å; Q160-P162 VanDerWaalsContact C-CD 3.5Å; Q160-P162 WeakPolarHBondContact O-CD 3.45Å
161F97.5Very high97.1Very high44 Ų4475.2 Ų75.219%0.19340%0.399CS..  trans-125.273.3-175.7-50.1-63.3000111.1L157 L158 S163 A166 Q170 V171 A174L157-F161 HydrophobicContact CD2-CD2 4.47Å; L157-F161 HydrophobicContact CD2-CE2 4.12Å; L157-F161 WeakPolarHBondContact O-CD2 3.33Å; L157-F161 PolarHBondContact O-N 2.9Å; L158-F161 CarbonylContact O-C 3.51Å; F161-S163 PolarHBondContact O-N 3.5Å; F161-S163 VanDerWaalsContact O-N 3.17Å; F161-A166 HydrophobicContact CB-CB 4.22Å; F161-A166 HydrophobicContact CD1-CB 3.44Å; F161-A166 VanDerWaalsContact CD1-CB 3.44Å; F161-A166 HydrophobicContact CE1-CB 3.91Å; F161-A166 HydrophobicContact CG-CB 3.88Å; F161-Q170 HydrophobicContact CE1-CB 4.25Å; F161-Q170 HydrophobicContact CZ-CB 4.28Å; F161-V171 HydrophobicContact CD2-CG2 3.92Å; F161-V171 HydrophobicContact CE2-CB 4.48Å; F161-V171 HydrophobicContact CE2-CG2 3.95Å; F161-V171 HydrophobicContact CG-CG2 4.39Å; F161-V171 HydrophobicContact CZ-CG2 4.43Å; F161-A174 HydrophobicContact CE2-CB 3.59Å; F161-A174 HydrophobicContact CZ-CB 3.82Å
162P94.7Very high97.2Very high116 Ų11671.7 Ų71.775%0.75338%0.375SS*.SBendtrans-71.8-6.4-178.630.2-36.9000113.8Q160Q160-P162 VanDerWaalsContact C-CD 3.5Å; Q160-P162 WeakPolarHBondContact O-CD 3.45Å
163S94.5Very high97.2Very high71 Ų7170.2 Ų70.250%0.49737%0.365SS..SBendtrans-133.1167.6176.170.80000110.5F161 A165F161-S163 PolarHBondContact O-N 3.5Å; F161-S163 VanDerWaalsContact O-N 3.17Å; S163-A165 PolarHBondContact O-N 3.3Å; S163-A165 WeakPolarHBondContact OG-CB 3.31Å; S163-A165 PolarHBondContact OG-N 3.49Å
164N92.6Very high97.3Very high126 Ų12669.4 Ų69.467%0.67436%0.362SS*.THydrogen-bonded Turntrans-8017.8176.267.5-15.3000113.8R141 A166R141-N164 PolarHBondContact NH1-O 3.05Å; N164-A166 VanDerWaalsContact C-N 3.31Å
165A96.4Very high97.3Very high80 Ų8066.5 Ų66.566%0.66135%0.348SS*.THydrogen-bonded Turntrans-75.5-19.6179.300000113.5S163S163-A165 PolarHBondContact O-N 3.3Å; S163-A165 WeakPolarHBondContact OG-CB 3.31Å; S163-A165 PolarHBondContact OG-N 3.49Å
166A97Very high97.3Very high10 Ų1062.4 Ų62.48%0.08333%0.334CS..SBendtrans-67143.8179.900000111.6R141 F161 N164 Q170 V171R141-A166 WeakPolarHBondContact CD-O 3.25Å; R141-A166 PolarHBondContact NH1-O 3.42Å; F161-A166 HydrophobicContact CB-CB 4.22Å; F161-A166 HydrophobicContact CD1-CB 3.44Å; F161-A166 VanDerWaalsContact CD1-CB 3.44Å; F161-A166 HydrophobicContact CE1-CB 3.91Å; F161-A166 HydrophobicContact CG-CB 3.88Å; N164-A166 VanDerWaalsContact C-N 3.31Å; A166-Q170 VanDerWaalsContact CA-OE1 3.32Å; A166-V171 HydrophobicContact CB-CG2 4.01Å
167T97.9Very high97.3Very high71 Ų7166.6 Ų66.644%0.43635%0.348SS..  trans-78.5160171.272.30000110.6Q169 Q170 V171T167-Q169 VanDerWaalsContact C-N 3.25Å; T167-Q169 PolarHBondContact O-N 2.95Å; T167-Q170 PolarHBondContact O-N 2.96Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.46Å; T167-Q170 PolarHBondContact OG1-N 3.13Å; T167-V171 PolarHBondContact O-N 3.46Å
168L97.7Very high97.3Very high16 Ų1668 Ų688%0.08436%0.355CS..Hα-helixtrans-52.9-45.7171.8173.359.2000111.6L140 R141 V144 Q170 V171 E172L140-L168 HydrophobicContact CB-CD1 3.82Å; L140-L168 HydrophobicContact CB-CD2 3.75Å; L140-L168 HydrophobicContact CB-CG 4.43Å; L140-L168 HydrophobicContact CD1-CD2 3.86Å; L140-L168 HydrophobicContact CG-CD2 4.45Å; R141-L168 HydrophobicContact CB-CB 4.28Å; R141-L168 HydrophobicContact CB-CD1 4.14Å; V144-L168 HydrophobicContact CG2-CD1 4.35Å; L168-Q170 PolarHBondContact O-N 2.65Å; L168-V171 PolarHBondContact O-N 2.77Å; L168-E172 HydrophobicContact CD1-CG 3.89Å; L168-E172 VanDerWaalsContact CD1-OE1 3.3Å; L168-E172 WeakPolarHBondContact CD1-OE1 3.23Å; L168-E172 HydrophobicContact CG-CG 4.28Å; L168-E172 WeakPolarHBondContact CG-OE1 3.44Å; L168-E172 WeakPolarHBondContact O-CG 3.34Å; L168-E172 PolarHBondContact O-N 3.04Å
169Q97.8Very high97.3Very high125 Ų12565.4 Ų65.458%0.58434%0.341SS*.Hα-helixtrans-58.7-45.2179.7-178.4-177.8-4.200112T167 V171 E172 E173T167-Q169 VanDerWaalsContact C-N 3.25Å; T167-Q169 PolarHBondContact O-N 2.95Å; Q169-V171 VanDerWaalsContact C-N 3.29Å; Q169-V171 PolarHBondContact O-N 3.41Å; Q169-E172 PolarHBondContact O-N 3.06Å; Q169-E173 HydrophobicContact CG-CG 4.38Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.28Å; Q169-E173 PolarHBondContact NE2-OE1 2.95Å; Q169-E173 WeakPolarHBondContact O-CB 3.49Å; Q169-E173 VanDerWaalsContact O-CG 3.32Å; Q169-E173 WeakPolarHBondContact O-CG 3.34Å; Q169-E173 PolarHBondContact O-N 3.34Å
170Q98.4Very high97.3Very high88 Ų8861.5 Ų61.541%0.41133%0.333SS..Hα-helixtrans-60.5-39.8179.2-73.9171.5-37.500112.1F161 A166 T167 L168 A174F161-Q170 HydrophobicContact CE1-CB 4.25Å; F161-Q170 HydrophobicContact CZ-CB 4.28Å; A166-Q170 VanDerWaalsContact CA-OE1 3.32Å; T167-Q170 PolarHBondContact O-N 2.96Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.46Å; T167-Q170 PolarHBondContact OG1-N 3.13Å; L168-Q170 PolarHBondContact O-N 2.65Å; Q170-A174 WeakPolarHBondContact O-CB 3.4Å; Q170-A174 PolarHBondContact O-N 3.34Å
171V98.4Very high97.2Very high2 Ų260.2 Ų60.21%0.01234%0.335CS..Hα-helixtrans-71.3-42.1178.3175.30000111.7R141 V144 V145 F161 A166 T167 L168 Q169 A174 A175R141-V171 HydrophobicContact CG-CB 4.08Å; R141-V171 HydrophobicContact CG-CG1 4.48Å; R141-V171 HydrophobicContact CG-CG2 3.58Å; V144-V171 HydrophobicContact CB-CG1 4.21Å; V144-V171 HydrophobicContact CG1-CG1 3.81Å; V145-V171 HydrophobicContact CG2-CG1 3.64Å; F161-V171 HydrophobicContact CD2-CG2 3.92Å; F161-V171 HydrophobicContact CE2-CB 4.48Å; F161-V171 HydrophobicContact CE2-CG2 3.95Å; F161-V171 HydrophobicContact CG-CG2 4.39Å; F161-V171 HydrophobicContact CZ-CG2 4.43Å; A166-V171 HydrophobicContact CB-CG2 4.01Å; T167-V171 PolarHBondContact O-N 3.46Å; L168-V171 PolarHBondContact O-N 2.77Å; Q169-V171 VanDerWaalsContact C-N 3.29Å; Q169-V171 PolarHBondContact O-N 3.41Å; V171-A174 PolarHBondContact O-N 3.25Å; V171-A175 WeakPolarHBondContact O-CB 3.35Å; V171-A175 PolarHBondContact O-N 3.49Å
172E98Very high97.1Very high34 Ų3461.7 Ų61.716%0.15934%0.342CS..Hα-helixtrans-62-43.3176.1-72.8177.1172.900112V120 R124 L168 Q169 A175 S176V120-E172 HydrophobicContact CG1-CG 4.21Å; V120-E172 WeakPolarHBondContact CG1-OE1 3.39Å; V120-E172 HydrophobicContact CG2-CG 4.08Å; R124-E172 IonicContact CZ-OE1 3.04Å; R124-E172 IonicContact NE-OE1 2.73Å; R124-E172 PolarHBondContact NE-OE1 2.93Å; R124-E172 VanDerWaalsContact NH2-CD 3.27Å; R124-E172 IonicContact NH2-OE1 3.95Å; R124-E172 PolarHBondContact NH2-OE1 3.26Å; R124-E172 IonicContact NH2-OE2 2.95Å; R124-E172 PolarHBondContact NH2-OE2 3.04Å; L168-E172 HydrophobicContact CD1-CG 3.89Å; L168-E172 VanDerWaalsContact CD1-OE1 3.3Å; L168-E172 WeakPolarHBondContact CD1-OE1 3.23Å; L168-E172 HydrophobicContact CG-CG 4.28Å; L168-E172 WeakPolarHBondContact CG-OE1 3.44Å; L168-E172 WeakPolarHBondContact O-CG 3.34Å; L168-E172 PolarHBondContact O-N 3.04Å; Q169-E172 PolarHBondContact O-N 3.06Å; E172-A175 PolarHBondContact O-N 3.22Å; E172-S176 WeakPolarHBondContact O-CB 3.32Å; E172-S176 PolarHBondContact O-N 3Å; E172-S176 PolarHBondContact O-OG 3.43Å
173E98.3Very high97Very high83 Ų8359 Ų5939%0.38833%0.326SS..Hα-helixtrans-64.4-42.8176.1-73.9174.6-171.300111.4Q169 S176 R177Q169-E173 HydrophobicContact CG-CG 4.38Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.28Å; Q169-E173 PolarHBondContact NE2-OE1 2.95Å; Q169-E173 WeakPolarHBondContact O-CB 3.49Å; Q169-E173 VanDerWaalsContact O-CG 3.32Å; Q169-E173 WeakPolarHBondContact O-CG 3.34Å; Q169-E173 PolarHBondContact O-N 3.34Å; E173-S176 PolarHBondContact O-N 3.39Å; E173-R177 WeakPolarHBondContact O-CG 3.43Å; E173-R177 PolarHBondContact O-N 3.17Å
174A98.4Very high97.1Very high0 Ų060.3 Ų60.30%032%0.324CS..Hα-helixtrans-63-45176.200000111.9L157 F161 Q170 V171 S176 R177 L178L157-A174 HydrophobicContact CD2-CB 3.62Å; F161-A174 HydrophobicContact CE2-CB 3.59Å; F161-A174 HydrophobicContact CZ-CB 3.82Å; Q170-A174 WeakPolarHBondContact O-CB 3.4Å; Q170-A174 PolarHBondContact O-N 3.34Å; V171-A174 PolarHBondContact O-N 3.25Å; A174-S176 VanDerWaalsContact C-N 3.33Å; A174-S176 PolarHBondContact O-N 3.38Å; A174-R177 PolarHBondContact O-N 3.03Å; A174-L178 WeakPolarHBondContact O-CG 3.41Å; A174-L178 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-N 3.1Å
175A98.4Very high97.2Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-61.2-42.1176.400000111.8V116 V144 I148 L157 V171 E172 R177 L178 E179V116-A175 HydrophobicContact CG1-CB 3.75Å; V116-A175 HydrophobicContact CG2-CB 4.38Å; V144-A175 HydrophobicContact CG1-CB 4.45Å; I148-A175 HydrophobicContact CD1-CB 3.98Å; L157-A175 HydrophobicContact CD1-CB 4.4Å; L157-A175 HydrophobicContact CD2-CB 4.46Å; V171-A175 WeakPolarHBondContact O-CB 3.35Å; V171-A175 PolarHBondContact O-N 3.49Å; E172-A175 PolarHBondContact O-N 3.22Å; A175-R177 PolarHBondContact O-N 3.14Å; A175-L178 PolarHBondContact O-N 3.41Å; A175-E179 PolarHBondContact O-N 3.26Å; A175-E179 VanDerWaalsContact O-N 3.09Å
176S98.1Very high97Very high49 Ų4960.3 Ų60.334%0.34331%0.309SS..Hα-helixtrans-65.8-35.6176.3-56.30000112.4E172 E173 A174 L178 E179 L180E172-S176 WeakPolarHBondContact O-CB 3.32Å; E172-S176 PolarHBondContact O-N 3Å; E172-S176 PolarHBondContact O-OG 3.43Å; E173-S176 PolarHBondContact O-N 3.39Å; A174-S176 VanDerWaalsContact C-N 3.33Å; A174-S176 PolarHBondContact O-N 3.38Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 2.79Å; S176-E179 PolarHBondContact O-N 3.42Å; S176-L180 PolarHBondContact O-N 3.26Å
177R98.3Very high96.7Very high129 Ų12968.8 Ų68.849%0.48734%0.339SS..Hα-helixtrans-64-36.8173-74.7-172.6-63.4-99.83.5112.1E173 A174 A175 L180 A181E173-R177 WeakPolarHBondContact O-CG 3.43Å; E173-R177 PolarHBondContact O-N 3.17Å; A174-R177 PolarHBondContact O-N 3.03Å; A175-R177 PolarHBondContact O-N 3.14Å; R177-L180 PolarHBondContact O-N 3.2Å; R177-A181 WeakPolarHBondContact O-CB 2.81Å; R177-A181 PolarHBondContact O-N 2.87Å
178L98.1Very high96.5Very high29 Ų2971.1 Ų71.115%0.15235%0.348CS..Hα-helixtrans-68.7-39.8177.1-64.2168.2000111.9W153 E156 L157 A174 A175 S176 A181 E182W153-L178 HydrophobicContact CB-CB 4.45Å; W153-L178 HydrophobicContact CB-CD1 3.87Å; W153-L178 HydrophobicContact CD2-CB 3.75Å; W153-L178 HydrophobicContact CE3-CB 3.95Å; W153-L178 HydrophobicContact CG-CB 3.92Å; W153-L178 HydrophobicContact CG-CD1 4.23Å; E156-L178 HydrophobicContact CB-CD1 4.1Å; E156-L178 HydrophobicContact CB-CD2 4.09Å; E156-L178 HydrophobicContact CG-CD1 4.1Å; E156-L178 HydrophobicContact CG-CD2 3.49Å; E156-L178 VanDerWaalsContact CG-CD2 3.49Å; E156-L178 HydrophobicContact CG-CG 4.41Å; L157-L178 HydrophobicContact CD2-CD1 4.09Å; L157-L178 HydrophobicContact CG-CD1 3.89Å; A174-L178 WeakPolarHBondContact O-CG 3.41Å; A174-L178 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-N 3.1Å; A175-L178 PolarHBondContact O-N 3.41Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 2.79Å; L178-A181 PolarHBondContact O-N 3.12Å; L178-E182 PolarHBondContact O-N 3.4Å
179E97.5Very high96.1Very high46 Ų4675 Ų7522%0.21537%0.366CS..Hα-helixtrans-58.5-49.7170.7179.6174.2-103.200112.1S115 V116 W153 A175 S176 A181 E182 C183S115-E179 WeakPolarHBondContact CA-OE1 3.4Å; S115-E179 WeakPolarHBondContact CB-OE1 3.45Å; V116-E179 HydrophobicContact CG2-CB 3.94Å; V116-E179 HydrophobicContact CG2-CG 4.49Å; V116-E179 PolarHBondContact N-OE1 3.24Å; W153-E179 HydrophobicContact CH2-CB 3.45Å; W153-E179 VanDerWaalsContact CH2-CB 3.45Å; W153-E179 HydrophobicContact CH2-CG 3.99Å; W153-E179 HydrophobicContact CZ2-CB 4.33Å; W153-E179 HydrophobicContact CZ3-CB 3.67Å; W153-E179 HydrophobicContact CZ3-CG 4.49Å; A175-E179 PolarHBondContact O-N 3.26Å; A175-E179 VanDerWaalsContact O-N 3.09Å; S176-E179 PolarHBondContact O-N 3.42Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 2.9Å; E179-E182 PolarHBondContact O-N 2.95Å; E179-C183 PolarHBondContact O-N 2.87Å; E179-C183 PolarHBondContact O-SG 3Å
180L97.2Very high95.7Very high97 Ų9772.9 Ų72.951%0.50836%0.362SS..Hα-helixtrans-59.5-42.2177.618060.8000111.8S176 R177 C183 Q184S176-L180 PolarHBondContact O-N 3.26Å; R177-L180 PolarHBondContact O-N 3.2Å; L180-C183 PolarHBondContact O-N 3.31Å; L180-Q184 HydrophobicContact CD1-CG 4.25Å; L180-Q184 HydrophobicContact CG-CG 4.42Å; L180-Q184 WeakPolarHBondContact O-CB 3.49Å; L180-Q184 WeakPolarHBondContact O-CG 3.34Å; L180-Q184 PolarHBondContact O-N 2.93Å
181A97.1Very high95Very high48 Ų4872.7 Ų72.740%0.39737%0.369SS..Hα-helixtrans-64.1-39.9178.600000112.5R177 L178 E179 Q184 L185R177-A181 WeakPolarHBondContact O-CB 2.81Å; R177-A181 PolarHBondContact O-N 2.87Å; L178-A181 PolarHBondContact O-N 3.12Å; E179-A181 VanDerWaalsContact C-N 3.3Å; E179-A181 PolarHBondContact O-N 2.9Å; A181-Q184 PolarHBondContact O-N 3.39Å; A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 PolarHBondContact O-N 3Å
182E94.9Very high94.2Very high75 Ų7574.9 Ų74.935%0.3539%0.387SS..Hα-helixtrans-64-48.1175-172.3166.8-10300111W153 L178 E179 Q184 L185 E186W153-E182 HydrophobicContact CZ2-CB 3.76Å; W153-E182 HydrophobicContact CZ2-CG 4.27Å; W153-E182 WeakPolarHBondContact CZ2-OE2 3.34Å; L178-E182 PolarHBondContact O-N 3.4Å; E179-E182 PolarHBondContact O-N 2.95Å; E182-Q184 VanDerWaalsContact C-N 3.3Å; E182-Q184 PolarHBondContact O-N 2.93Å; E182-L185 WeakPolarHBondContact O-CB 3.29Å; E182-L185 PolarHBondContact O-N 3.27Å; E182-L185 VanDerWaalsContact O-N 3.13Å; E182-E186 PolarHBondContact O-N 2.97Å
183C93.1Very high93.1Very high60 Ų6081.8 Ų81.841%0.40541%0.412SS..Hα-helixtrans-60.1-38.3175.1-67.40000112.7E179 L180 R187E179-C183 PolarHBondContact O-N 2.87Å; E179-C183 PolarHBondContact O-SG 3Å; L180-C183 PolarHBondContact O-N 3.31Å; C183-R187 WeakPolarHBondContact O-CG 3.5Å; C183-R187 PolarHBondContact O-N 3.18Å
184Q95.4Very high91.4Very high99 Ų9983.3 Ų83.346%0.46342%0.423SS..Hα-helixtrans-66.5-39.4176-75.7171.8-12.900111.8L180 A181 E182 R187 L188L180-Q184 HydrophobicContact CD1-CG 4.25Å; L180-Q184 HydrophobicContact CG-CG 4.42Å; L180-Q184 WeakPolarHBondContact O-CB 3.49Å; L180-Q184 WeakPolarHBondContact O-CG 3.34Å; L180-Q184 PolarHBondContact O-N 2.93Å; A181-Q184 PolarHBondContact O-N 3.39Å; E182-Q184 VanDerWaalsContact C-N 3.3Å; E182-Q184 PolarHBondContact O-N 2.93Å; Q184-R187 WeakPolarHBondContact O-CB 3.49Å; Q184-R187 PolarHBondContact O-N 3.28Å; Q184-L188 WeakPolarHBondContact O-CG 3.39Å; Q184-L188 PolarHBondContact O-N 3.23Å
185L94.3Very high89.5Confident95 Ų9587.6 Ų87.650%0.49745%0.449SS..Hα-helixtrans-62.5-43.9176-179.861.7000111.7A181 E182 R187 L188 Q189A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 PolarHBondContact O-N 3Å; E182-L185 WeakPolarHBondContact O-CB 3.29Å; E182-L185 PolarHBondContact O-N 3.27Å; E182-L185 VanDerWaalsContact O-N 3.13Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.13Å; L185-L188 PolarHBondContact O-N 3.29Å; L185-Q189 WeakPolarHBondContact O-CG 3.38Å; L185-Q189 PolarHBondContact O-N 3.05Å
186E91.9Very high87.5Confident111 Ų11194.2 Ų94.252%0.51948%0.484SS..Hα-helixtrans-59.4-40.3175-68.7176.9166.700111.9E182 Q189 T190E182-E186 PolarHBondContact O-N 2.97Å; E186-Q189 PolarHBondContact O-N 3.25Å; E186-T190 PolarHBondContact O-N 2.97Å; E186-T190 PolarHBondContact O-OG1 3.47Å
187R92.4Very high85.4Confident187 Ų18799 Ų9971%0.70651%0.506SS*.Hα-helixtrans-65.7-43.9175.2-70.5176.270.3172.13.1112.1C183 Q184 L185 Q189 T190 C191C183-R187 WeakPolarHBondContact O-CG 3.5Å; C183-R187 PolarHBondContact O-N 3.18Å; Q184-R187 WeakPolarHBondContact O-CB 3.49Å; Q184-R187 PolarHBondContact O-N 3.28Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.13Å; R187-Q189 VanDerWaalsContact C-N 3.33Å; R187-Q189 PolarHBondContact O-N 3.37Å; R187-T190 PolarHBondContact O-N 2.99Å; R187-C191 PolarHBondContact O-N 3.03Å; R187-C191 PolarHBondContact O-SG 3.02Å; R187-C191 VanDerWaalsContact O-SG 3.4Å
188L92.4Very high83.3Confident121 Ų12196.8 Ų96.863%0.63451%0.507SS*.Hα-helixtrans-59.8-43176.5-73.2172000111.6Q184 L185 T190 C191 A192Q184-L188 WeakPolarHBondContact O-CG 3.39Å; Q184-L188 PolarHBondContact O-N 3.23Å; L185-L188 PolarHBondContact O-N 3.29Å; L188-T190 VanDerWaalsContact C-N 3.34Å; L188-T190 PolarHBondContact O-N 3.14Å; L188-C191 PolarHBondContact O-N 3.36Å; L188-A192 PolarHBondContact O-N 3.42Å
189Q90.6Very high81Confident97 Ų9799 Ų9945%0.45352%0.523SS..Hα-helixtrans-64.6-38.1176.7-70.6175.9-3.500112.4L185 E186 R187 A192 R193L185-Q189 WeakPolarHBondContact O-CG 3.38Å; L185-Q189 PolarHBondContact O-N 3.05Å; E186-Q189 PolarHBondContact O-N 3.25Å; R187-Q189 VanDerWaalsContact C-N 3.33Å; R187-Q189 PolarHBondContact O-N 3.37Å; Q189-A192 PolarHBondContact O-N 3.32Å; Q189-R193 WeakPolarHBondContact O-CG 3.5Å; Q189-R193 PolarHBondContact O-N 2.81Å; Q189-R193 VanDerWaalsContact O-N 3.17Å
190T87.9Confident79.1Confident81 Ų81103 Ų10350%0.49755%0.551SS.*Hα-helixtrans-66.4-42.3176.3-55.60000111.4E186 R187 L188 R193 N194E186-T190 PolarHBondContact O-N 2.97Å; E186-T190 PolarHBondContact O-OG1 3.47Å; R187-T190 PolarHBondContact O-N 2.99Å; L188-T190 VanDerWaalsContact C-N 3.34Å; L188-T190 PolarHBondContact O-N 3.14Å; T190-R193 PolarHBondContact O-N 3.49Å; T190-N194 PolarHBondContact O-N 3.07Å
191C84.7Confident77Confident83 Ų83104.4 Ų104.456%0.56156%0.558SS**Hα-helixtrans-62.8-41.9175.6-70.30000112.5R187 L188 N194R187-C191 PolarHBondContact O-N 3.03Å; R187-C191 PolarHBondContact O-SG 3.02Å; R187-C191 VanDerWaalsContact O-SG 3.4Å; L188-C191 PolarHBondContact O-N 3.36Å; C191-N194 PolarHBondContact O-N 3.32Å
192A81.4Confident74.9Confident49 Ų49107.8 Ų107.841%0.40557%0.569SS.*Hα-helixtrans-65.9-38.1179.400000112.9L188 Q189 N194 T195 D196L188-A192 PolarHBondContact O-N 3.42Å; Q189-A192 PolarHBondContact O-N 3.32Å; A192-N194 VanDerWaalsContact C-N 3.29Å; A192-N194 PolarHBondContact O-N 3.33Å; A192-T195 PolarHBondContact O-N 3.11Å; A192-T195 VanDerWaalsContact O-N 3.11Å; A192-T195 PolarHBondContact O-OG1 2.96Å; A192-D196 PolarHBondContact O-N 3.19Å
193R73.7Confident72.7Confident179 Ų179111.5 Ų111.568%0.67559%0.59SS**Hα-helixtrans-64.4-33.8176.8-72.5177.1-175.7174.43.8113Q189 T190 T195 D196Q189-R193 WeakPolarHBondContact O-CG 3.5Å; Q189-R193 PolarHBondContact O-N 2.81Å; Q189-R193 VanDerWaalsContact O-N 3.17Å; T190-R193 PolarHBondContact O-N 3.49Å; R193-T195 PolarHBondContact O-N 3.44Å; R193-D196 PolarHBondContact O-N 3.09Å
194N63.2Low70.4Confident115 Ų115118.6 Ų118.662%0.61561%0.609SS**Hα-helixtrans-70.1-19.2176.5-68.1-18.8000112.8T190 C191 A192T190-N194 PolarHBondContact O-N 3.07Å; C191-N194 PolarHBondContact O-N 3.32Å; A192-N194 VanDerWaalsContact C-N 3.29Å; A192-N194 PolarHBondContact O-N 3.33Å
195T59Low68.2Low90 Ų90120.7 Ų120.755%0.55262%0.623SS**Hα-helixtrans-86.2-24175.952.10000113.3A192 R193 D197 V198A192-T195 PolarHBondContact O-N 3.11Å; A192-T195 VanDerWaalsContact O-N 3.11Å; A192-T195 PolarHBondContact O-OG1 2.96Å; R193-T195 PolarHBondContact O-N 3.44Å; T195-D197 VanDerWaalsContact C-N 3.25Å; T195-D197 PolarHBondContact O-N 2.88Å; T195-V198 PolarHBondContact O-N 2.75Å
196D56.6Low66Low138 Ų138124.9 Ų124.974%0.73864%0.637SS**Hα-helixtrans-74.7-15.1177.9-67.6-26.3000113.1A192 R193 V198A192-D196 PolarHBondContact O-N 3.19Å; R193-D196 PolarHBondContact O-N 3.09Å; D196-V198 VanDerWaalsContact C-N 3.32Å
197D54.6Low63.6Low149 Ų149126.7 Ų126.780%0.79765%0.65SS**THydrogen-bonded Turntrans-87.52174.1-125.60.8000113.2T195 P199T195-D197 VanDerWaalsContact C-N 3.25Å; T195-D197 PolarHBondContact O-N 2.88Å; D197-P199 WeakPolarHBondContact O-CD 3.23Å
198V53.4Low61.5Low84 Ų84123.3 Ų123.351%0.50965%0.652SS.*SBendtrans-91.5109167.6-174.90000107.7T195 D196 V200T195-V198 PolarHBondContact O-N 2.75Å; D196-V198 VanDerWaalsContact C-N 3.32Å; V198-V200 PolarHBondContact O-N 2.98Å
199P50.6Low59.4Low74 Ų74123.4 Ų123.448%0.48166%0.663SS.*  trans-59.3118.9176.721.4-29000108.5D197 N201 L202D197-P199 WeakPolarHBondContact O-CD 3.23Å; P199-N201 PolarHBondContact O-N 3.28Å; P199-L202 HydrophobicContact CG-CD1 4.05Å; P199-L202 HydrophobicContact CG-CG 4.34Å; P199-L202 PolarHBondContact O-N 3.3Å
200V56.3Low57Low132 Ų132126.9 Ų126.980%0.868%0.679SS**G310 helixtrans-50.2-13.3176.1178.30000112.4V198 L202V198-V200 PolarHBondContact O-N 2.98Å; V200-L202 VanDerWaalsContact C-N 3.32Å; V200-L202 PolarHBondContact O-N 3.46Å
201N53.7Low54.9Low125 Ų125131.8 Ų131.867%0.66870%0.698SS**G310 helixtrans-73.2-5.7173.8-68.6-21.9000116.1P199P199-N201 PolarHBondContact O-N 3.28Å
202L53.1Low52.9Low120 Ų120136.4 Ų136.463%0.62871%0.712SS**G310 helixtrans-84.8-11.8178.3-73.5170000115P199 V200P199-L202 HydrophobicContact CG-CD1 4.05Å; P199-L202 HydrophobicContact CG-CG 4.34Å; P199-L202 PolarHBondContact O-N 3.3Å; V200-L202 VanDerWaalsContact C-N 3.32Å; V200-L202 PolarHBondContact O-N 3.46Å
203L48Very low50.9Low152 Ų152141.6 Ų141.680%0.79673%0.732SS**SBendtrans-94.6-12.7176.7-73.3166000113.7
204R45.8Very low49.5Very low209 Ų209140.1 Ų140.179%0.78974%0.737SS**THydrogen-bonded Turntrans-83.2-17.9-180-167.6168.4168.5164.1-3.1113.9
205N48Very low48.6Very low143 Ų143140.1 Ų140.177%0.76574%0.742SS**THydrogen-bonded Turntrans-105.322.6-175.4-74.1-4.6000114.4
206K48.6Very low48Very low183 Ų183143.3 Ų143.380%0.79675%0.754SS**  trans-127.816.8176.1-75-146.2177.7-165.30115.4P208K206-P208 WeakPolarHBondContact O-CD 3.42Å
207L42.4Very low47.5Very low149 Ų149141.1 Ų141.178%0.7875%0.75SS**SBendtrans-80.5117.5162.1-87.194.9000108.9S209L207-S209 PolarHBondContact O-N 2.89Å
208P46.5Very low47.5Very low116 Ų116142 Ų14275%0.75375%0.753SS**  trans-61.8129.1171.5-1529.6000109.1K206 E210K206-P208 WeakPolarHBondContact O-CD 3.42Å; P208-E210 PolarHBondContact O-N 3.37Å
209S48.9Very low47.4Very low123 Ų123144.9 Ų144.986%0.8677%0.765SS**SBendtrans-7555.3175.457.70000111.4L207L207-S209 PolarHBondContact O-N 2.89Å
210E40.8Very low47.4Very low171 Ų171144.9 Ų144.980%0.79978%0.779SS**  trans-148.184.5175.2-71.4-169.1168.100110P208P208-E210 PolarHBondContact O-N 3.37Å
211M43Very low47.1Very low183 Ų183150.3 Ų150.390%0.90180%0.803SS**  trans-124.295.5149.2-86.8-177.864.300106L213M211-L213 PolarHBondContact O-N 2.92Å
212E42.7Very low46.8Very low181 Ų181151.6 Ų151.685%0.84681%0.81SS**  trans-50.5120.1171.7-70.1-177.6140.300109.9N214E212-N214 PolarHBondContact O-N 3.48Å; E212-N214 VanDerWaalsContact O-N 3.09Å
213L39.6Very low46.4Very low157 Ų157153.3 Ų153.382%0.82282%0.82SS**  trans-67.199.8162.7-90.8103.4000108.3M211 V215M211-L213 PolarHBondContact O-N 2.92Å; L213-V215 HydrophobicContact CB-CG2 4.34Å; L213-V215 HydrophobicContact CD2-CG2 4.16Å; L213-V215 PolarHBondContact O-N 2.85Å
214N44.8Very low46.3Very low148 Ų148153.3 Ų153.379%0.79182%0.821SS**  trans-79.292.7154.6-93.9-14.9000108.5E212 L216E212-N214 PolarHBondContact O-N 3.48Å; E212-N214 VanDerWaalsContact O-N 3.09Å; N214-L216 PolarHBondContact O-N 3.35Å
215V44.5Very low46.4Very low116 Ų116150.1 Ų150.170%0.70382%0.823SS**  trans-72.4100.8163.3-178.50000107.1L213L213-V215 HydrophobicContact CB-CG2 4.34Å; L213-V215 HydrophobicContact CD2-CG2 4.16Å; L213-V215 PolarHBondContact O-N 2.85Å
216L45.9Very low46.3Very low157 Ų157150.5 Ų150.582%0.82283%0.827SS**  trans-92.3104160.7-82.7163.2000107.6N214 I218N214-L216 PolarHBondContact O-N 3.35Å; L216-I218 PolarHBondContact O-N 2.75Å
217S45.9Very low46.1Very low92 Ų92148.3 Ų148.364%0.64383%0.829SS**  trans-49129.5159.4-82.70000109.8
218I54.9Low46.4Very low168 Ų168148.3 Ų148.386%0.86283%0.832SS**  trans-113105154.4-63178.7000104.8L216L216-I218 PolarHBondContact O-N 2.75Å
219D52.2Low46.4Very low143 Ų143150.8 Ų150.877%0.76584%0.838SS**  trans-68.4160.7170.9-76.7-54.7000111.3
220G50.7Low46.1Very low74 Ų74153.1 Ų153.176%0.76384%0.837SS**  trans-60.4153.9-166.600000118.4
221D49Very low46.6Very low247 Ų247151.5 Ų151.5100%1.32184%0.84SS**  -146.40118.4-115.3-13.7000108.7

Retrieved 221 of 221 residues in 279.3 ms (Link to these results)

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