A0A077ZK31_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M81Confident89.9Confident91 Ų9183 Ų8345%0.44844%0.435SS..  0132.10-154174.2-174.300107.8Q5 V6 A9 F39 L41 T47M1-Q5 VanDerWaalsContact CE-C 3.44Å; M1-Q5 HydrophobicContact CE-CB 3.93Å; M1-Q5 VanDerWaalsContact CE-O 3.24Å; M1-Q5 WeakPolarHBondContact CE-O 3.47Å; M1-Q5 HydrophobicContact CG-CB 3.55Å; M1-V6 HydrophobicContact CB-CG2 4.05Å; M1-V6 HydrophobicContact CE-CG2 4.42Å; M1-V6 HydrophobicContact CG-CG2 3.77Å; M1-V6 HydrophobicContact SD-CB 4.47Å; M1-V6 HydrophobicContact SD-CG2 3.61Å; M1-A9 HydrophobicContact CE-CB 3.62Å; M1-F39 WeakPolarHBondContact CE-O 3.38Å; M1-L41 HydrophobicContact CE-CD2 3.86Å; M1-L41 HydrophobicContact SD-CD2 3.72Å; M1-T47 HydrophobicContact CB-CG2 4.06Å; M1-T47 HydrophobicContact SD-CG2 3.66Å
2N88.9Confident90.2Very high68 Ų6890.7 Ų90.736%0.36445%0.454SS..  trans-83.4165.9174.773.49.9000110.4E4 Q5 V6N2-E4 VanDerWaalsContact C-N 3.29Å; N2-E4 PolarHBondContact O-N 3.46Å; N2-E4 PolarHBondContact OD1-N 3.11Å; N2-Q5 PolarHBondContact O-N 3.35Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.27Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.46Å; N2-Q5 PolarHBondContact OD1-N 3.34Å; N2-Q5 PolarHBondContact OD1-OE1 3.3Å; N2-V6 WeakPolarHBondContact O-CG2 3.49Å; N2-V6 PolarHBondContact O-N 3.49Å; N2-V6 VanDerWaalsContact O-N 3.11Å
3P87.3Confident90.5Very high110 Ų11084.2 Ų84.271%0.71442%0.421SS*.Hα-helixtrans-58.7-35.2-177.8-27.336.3000114.6V6 A7P3-V6 PolarHBondContact O-N 3.36Å; P3-A7 PolarHBondContact O-N 3.32Å
4E91Very high90.7Very high157 Ų15784.4 Ų84.473%0.73443%0.434SS*.Hα-helixtrans-67.5-43.6179.1-66.3176.9173.500112.3N2 V6 A7 L8N2-E4 VanDerWaalsContact C-N 3.29Å; N2-E4 PolarHBondContact O-N 3.46Å; N2-E4 PolarHBondContact OD1-N 3.11Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.17Å; E4-A7 PolarHBondContact O-N 3.4Å; E4-L8 WeakPolarHBondContact O-CB 3.32Å; E4-L8 PolarHBondContact O-N 2.98Å
5Q91.9Very high91Very high102 Ų10280.3 Ų80.348%0.47741%0.412SS..Hα-helixtrans-60.8-43.8174.3-74168.5-22.600110.4M1 N2 L8 A9M1-Q5 VanDerWaalsContact CE-C 3.44Å; M1-Q5 HydrophobicContact CE-CB 3.93Å; M1-Q5 VanDerWaalsContact CE-O 3.24Å; M1-Q5 WeakPolarHBondContact CE-O 3.47Å; M1-Q5 HydrophobicContact CG-CB 3.55Å; N2-Q5 PolarHBondContact O-N 3.35Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.27Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.46Å; N2-Q5 PolarHBondContact OD1-N 3.34Å; N2-Q5 PolarHBondContact OD1-OE1 3.3Å; Q5-L8 PolarHBondContact O-N 3.43Å; Q5-A9 WeakPolarHBondContact O-CB 3.44Å; Q5-A9 PolarHBondContact O-N 3.29Å
6V90.7Very high91.3Very high12 Ų1282.1 Ų82.17%0.07342%0.423CS..Hα-helixtrans-59.5-48.1177.1174.20000110.3M1 N2 P3 E4 L8 A9 Q10 L41 T47 A50M1-V6 HydrophobicContact CB-CG2 4.05Å; M1-V6 HydrophobicContact CE-CG2 4.42Å; M1-V6 HydrophobicContact CG-CG2 3.77Å; M1-V6 HydrophobicContact SD-CB 4.47Å; M1-V6 HydrophobicContact SD-CG2 3.61Å; N2-V6 WeakPolarHBondContact O-CG2 3.49Å; N2-V6 PolarHBondContact O-N 3.49Å; N2-V6 VanDerWaalsContact O-N 3.11Å; P3-V6 PolarHBondContact O-N 3.36Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.17Å; V6-L8 PolarHBondContact O-N 2.97Å; V6-A9 PolarHBondContact O-N 2.96Å; V6-Q10 HydrophobicContact CG1-CG 4.47Å; V6-Q10 WeakPolarHBondContact O-CG 3.36Å; V6-Q10 PolarHBondContact O-N 3.34Å; V6-L41 HydrophobicContact CG1-CD2 4.17Å; V6-L41 HydrophobicContact CG2-CD2 4.46Å; V6-T47 HydrophobicContact CG2-CG2 3.97Å; V6-A50 HydrophobicContact CG1-CB 3.5Å
7A90.9Very high91.5Very high41 Ų4181.2 Ų81.234%0.33943%0.426SS..Hα-helixtrans-61.5-43179.300000112.4P3 E4 A9 Q10 Q11P3-A7 PolarHBondContact O-N 3.32Å; E4-A7 PolarHBondContact O-N 3.4Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.44Å; A7-Q10 PolarHBondContact O-N 2.99Å; A7-Q11 WeakPolarHBondContact O-CG 3.47Å; A7-Q11 PolarHBondContact O-N 3.22Å
8L92.3Very high91.6Very high95 Ų9577.9 Ų77.950%0.49741%0.407SS..Hα-helixtrans-63.6-40.3177-177.264.2000111.9E4 Q5 V6 Q11 R12E4-L8 WeakPolarHBondContact O-CB 3.32Å; E4-L8 PolarHBondContact O-N 2.98Å; Q5-L8 PolarHBondContact O-N 3.43Å; V6-L8 PolarHBondContact O-N 2.97Å; L8-Q11 PolarHBondContact O-N 3.36Å; L8-R12 PolarHBondContact O-N 3.02Å
9A92.2Very high91.7Very high8 Ų878.7 Ų78.77%0.06641%0.408CS..Hα-helixtrans-63.8-44.3175.200000111.4M1 Q5 V6 A7 Q11 R12 F13 F39 L41M1-A9 HydrophobicContact CE-CB 3.62Å; Q5-A9 WeakPolarHBondContact O-CB 3.44Å; Q5-A9 PolarHBondContact O-N 3.29Å; V6-A9 PolarHBondContact O-N 2.96Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.44Å; A9-Q11 VanDerWaalsContact C-N 3.34Å; A9-Q11 PolarHBondContact O-N 2.96Å; A9-R12 PolarHBondContact O-N 2.96Å; A9-F13 WeakPolarHBondContact O-CB 3.35Å; A9-F13 PolarHBondContact O-N 3.29Å; A9-F39 HydrophobicContact CB-CB 4.22Å; A9-F39 HydrophobicContact CB-CD1 4.2Å; A9-L41 HydrophobicContact CB-CD1 3.92Å; A9-L41 HydrophobicContact CB-CD2 4.03Å; A9-L41 HydrophobicContact CB-CG 4.02Å
10Q90.5Very high91.6Very high69 Ų6978.4 Ų78.432%0.32241%0.412SS..Hα-helixtrans-60.4-40.2176.9-72.2179.3-72.900112.8V6 A7 R12 F13 A50 L54V6-Q10 HydrophobicContact CG1-CG 4.47Å; V6-Q10 WeakPolarHBondContact O-CG 3.36Å; V6-Q10 PolarHBondContact O-N 3.34Å; A7-Q10 PolarHBondContact O-N 2.99Å; Q10-R12 PolarHBondContact O-N 3.01Å; Q10-F13 PolarHBondContact O-N 3.09Å; Q10-A50 HydrophobicContact CG-CB 3.86Å; Q10-L54 HydrophobicContact CG-CD1 4.28Å; Q10-L54 HydrophobicContact CG-CD2 4.47Å; Q10-L54 HydrophobicContact CG-CG 4.4Å
11Q92.1Very high91.6Very high160 Ų16079.7 Ų79.775%0.74843%0.427SS*.Hα-helixtrans-62.5-33.2177.7-74.8179.68.300112.9A7 L8 A9A7-Q11 WeakPolarHBondContact O-CG 3.47Å; A7-Q11 PolarHBondContact O-N 3.22Å; L8-Q11 PolarHBondContact O-N 3.36Å; A9-Q11 VanDerWaalsContact C-N 3.34Å; A9-Q11 PolarHBondContact O-N 2.96Å
12R93.2Very high92.1Very high175 Ų17579.7 Ų79.766%0.6644%0.436SS*.Hα-helixtrans-91.4-8.1-178.6-65.5175.764-175.80.3113L8 A9 Q10 S14 F39L8-R12 PolarHBondContact O-N 3.02Å; A9-R12 PolarHBondContact O-N 2.96Å; Q10-R12 PolarHBondContact O-N 3.01Å; R12-S14 PolarHBondContact O-N 3.47Å; R12-F39 HydrophobicContact CB-CD1 4.5Å; R12-F39 HydrophobicContact CB-CE1 3.6Å; R12-F39 HydrophobicContact CB-CZ 4.29Å; R12-F39 WeakPolarHBondContact O-CZ 3.48Å
13F94.5Very high92.3Very high7 Ų778.1 Ų78.13%0.03143%0.427CS..  trans-73.3110.8-175.2-162.9-86000111.1A9 Q10 F15 F32 E35 L36 F39 L41 L54 K58A9-F13 WeakPolarHBondContact O-CB 3.35Å; A9-F13 PolarHBondContact O-N 3.29Å; Q10-F13 PolarHBondContact O-N 3.09Å; F13-F15 HydrophobicContact CD1-CB 4.37Å; F13-F15 HydrophobicContact CE1-CB 3.74Å; F13-F15 HydrophobicContact CE1-CG 4.38Å; F13-F15 HydrophobicContact CZ-CB 4.5Å; F13-F32 HydrophobicContact CE1-CD2 4.23Å; F13-F32 AromaticContact CE1-CE2 3.65Å; F13-F32 HydrophobicContact CE1-CE2 3.65Å; F13-F32 HydrophobicContact CE1-CZ 4.46Å; F13-F32 HydrophobicContact CZ-CD2 4.13Å; F13-F32 AromaticContact CZ-CE2 3.76Å; F13-F32 HydrophobicContact CZ-CE2 3.76Å; F13-F32 HydrophobicContact CZ-CZ 4.37Å; F13-E35 HydrophobicContact CD2-CG 4.38Å; F13-E35 HydrophobicContact CE1-CG 4.38Å; F13-E35 HydrophobicContact CE2-CB 4.01Å; F13-E35 HydrophobicContact CE2-CG 3.6Å; F13-E35 HydrophobicContact CZ-CB 3.84Å; F13-E35 HydrophobicContact CZ-CG 3.62Å; F13-L36 HydrophobicContact CE2-CD2 3.74Å; F13-L36 HydrophobicContact CE2-CG 4.29Å; F13-L36 HydrophobicContact CZ-CD2 3.95Å; F13-L36 HydrophobicContact CZ-CG 4.31Å; F13-F39 HydrophobicContact CD2-CB 4.34Å; F13-F39 AromaticContact CD2-CD2 3.58Å; F13-F39 HydrophobicContact CD2-CD2 3.58Å; F13-F39 HydrophobicContact CD2-CE2 4.05Å; F13-F39 AromaticContact CD2-CG 3.98Å; F13-F39 HydrophobicContact CD2-CG 3.98Å; F13-F39 AromaticContact CE2-CD2 3.97Å; F13-F39 HydrophobicContact CE2-CD2 3.97Å; F13-L41 HydrophobicContact CD2-CD1 4.25Å; F13-L54 HydrophobicContact CB-CD1 4.24Å; F13-L54 HydrophobicContact CB-CD2 3.79Å; F13-L54 HydrophobicContact CD1-CB 4.44Å; F13-L54 HydrophobicContact CD1-CD1 4.04Å; F13-L54 HydrophobicContact CD1-CD2 3.65Å; F13-L54 HydrophobicContact CD1-CG 4.26Å; F13-L54 HydrophobicContact CD2-CD1 3.88Å; F13-L54 HydrophobicContact CE1-CB 4.43Å; F13-L54 HydrophobicContact CE1-CD1 4.36Å; F13-L54 HydrophobicContact CE1-CD2 4.44Å; F13-L54 HydrophobicContact CE2-CD1 4.22Å; F13-L54 HydrophobicContact CG-CD1 3.77Å; F13-L54 HydrophobicContact CG-CD2 3.81Å; F13-L54 HydrophobicContact CG-CG 4.36Å; F13-L54 HydrophobicContact CZ-CD1 4.45Å; F13-K58 HydrophobicContact CD1-CG 4.37Å; F13-K58 HydrophobicContact CE1-CG 4.23Å; F13-K58 VanDerWaalsContact O-CE 3.32Å; F13-K58 WeakPolarHBondContact O-CE 3.38Å; F13-K58 PolarHBondContact O-NZ 3.22Å
14S93.5Very high92.4Very high87 Ų8778.9 Ų78.961%0.60842%0.421SS*.  trans-117.5135.9174.6-166.20000109.2R12R12-S14 PolarHBondContact O-N 3.47Å
15F95.7Very high92.3Very high22 Ų2277 Ų7710%0.09641%0.407CS..  trans-158.9144-178.3-160.6-107.2000109.4F13 Y28 R31 F32 E35 K58F13-F15 HydrophobicContact CD1-CB 4.37Å; F13-F15 HydrophobicContact CE1-CB 3.74Å; F13-F15 HydrophobicContact CE1-CG 4.38Å; F13-F15 HydrophobicContact CZ-CB 4.5Å; F15-Y28 HydrophobicContact CD1-CE2 4.05Å; F15-Y28 HydrophobicContact CE1-CD2 4.04Å; F15-Y28 AromaticContact CE1-CE2 3.5Å; F15-Y28 HydrophobicContact CE1-CE2 3.5Å; F15-Y28 VanDerWaalsContact CE1-CE2 3.5Å; F15-Y28 AromaticContact CE1-CZ 3.8Å; F15-R31 HydrophobicContact CE2-CB 4.47Å; F15-R31 HydrophobicContact CE2-CG 3.92Å; F15-R31 HydrophobicContact CZ-CB 3.96Å; F15-R31 HydrophobicContact CZ-CG 3.81Å; F15-F32 AromaticContact CD1-CD2 3.75Å; F15-F32 HydrophobicContact CD1-CD2 3.75Å; F15-F32 HydrophobicContact CE1-CB 3.82Å; F15-F32 AromaticContact CE1-CD2 3.87Å; F15-F32 HydrophobicContact CE1-CD2 3.87Å; F15-F32 HydrophobicContact CE1-CG 4.36Å; F15-F32 HydrophobicContact CG-CD2 4.18Å; F15-F32 VanDerWaalsContact CZ-CA 3.45Å; F15-F32 HydrophobicContact CZ-CB 3.84Å; F15-F32 HydrophobicContact CZ-CD2 4.41Å; F15-F32 VanDerWaalsContact CZ-N 3.31Å; F15-E35 HydrophobicContact CD2-CB 3.82Å; F15-E35 HydrophobicContact CD2-CG 3.83Å; F15-E35 HydrophobicContact CE2-CB 3.89Å; F15-E35 HydrophobicContact CE2-CG 4.36Å; F15-K58 HydrophobicContact CB-CB 4.34Å; F15-K58 HydrophobicContact CB-CD 4.22Å; F15-K58 HydrophobicContact CB-CG 4.05Å; F15-K58 HydrophobicContact CD1-CB 4.46Å
16D94.8Very high92.2Very high110 Ų11075 Ų7559%0.58841%0.408SS*.PPolyproline II helixtrans-72.6153.1-179.7-62.1-39.5000111.3Y28 R31D16-Y28 WeakPolarHBondContact O-CE2 3.19Å; D16-R31 IonicContact OD2-NH1 2.82Å
17S95Very high92.2Very high67 Ų6781.6 Ų81.647%0.46943%0.432SS..PPolyproline II helixtrans-72.2151.2173.7-65.70000111.8E19 K58 G60S17-E19 PolarHBondContact O-N 3.5Å; S17-K58 VanDerWaalsContact CA-O 3.25Å; S17-K58 WeakPolarHBondContact CA-O 3.45Å; S17-K58 PolarHBondContact OG-O 3.48Å; S17-G60 WeakPolarHBondContact OG-CA 3.33Å
18F94.3Very high92.4Very high22 Ų2279.7 Ų79.710%0.09642%0.416CS..PPolyproline II helixtrans-67.7127.4175.1175.1-128.9000110.1P20 E23 W25 Y28 V59 H63F18-P20 HydrophobicContact CD1-CG 4.27Å; F18-P20 HydrophobicContact CE1-CB 4.43Å; F18-P20 HydrophobicContact CE1-CG 3.68Å; F18-P20 HydrophobicContact CZ-CB 4.2Å; F18-P20 HydrophobicContact CZ-CG 3.91Å; F18-E23 HydrophobicContact CD2-CG 3.9Å; F18-E23 HydrophobicContact CE2-CG 3.93Å; F18-E23 WeakPolarHBondContact CE2-O 3.39Å; F18-W25 HydrophobicContact CB-CZ3 4.26Å; F18-W25 AromaticContact CD1-CE3 3.62Å; F18-W25 HydrophobicContact CD1-CE3 3.62Å; F18-W25 AromaticContact CD1-CZ3 3.82Å; F18-W25 HydrophobicContact CD1-CZ3 3.82Å; F18-W25 HydrophobicContact CD2-CE3 4.12Å; F18-W25 AromaticContact CE1-CE3 3.73Å; F18-W25 HydrophobicContact CE1-CE3 3.73Å; F18-W25 HydrophobicContact CE1-CZ3 4.36Å; F18-W25 HydrophobicContact CE2-CB 4.42Å; F18-W25 HydrophobicContact CE2-CE3 4.21Å; F18-W25 AromaticContact CG-CE3 3.85Å; F18-W25 HydrophobicContact CG-CE3 3.85Å; F18-W25 AromaticContact CG-CZ3 3.98Å; F18-W25 HydrophobicContact CG-CZ3 3.98Å; F18-W25 HydrophobicContact CZ-CB 4.08Å; F18-W25 HydrophobicContact CZ-CE3 4.04Å; F18-Y28 HydrophobicContact CB-CD1 4.14Å; F18-Y28 HydrophobicContact CB-CD2 3.68Å; F18-Y28 HydrophobicContact CB-CE1 4.11Å; F18-Y28 HydrophobicContact CB-CE2 3.62Å; F18-Y28 HydrophobicContact CB-CG 3.94Å; F18-Y28 HydrophobicContact CD2-CD1 4.43Å; F18-Y28 AromaticContact CD2-CD2 3.92Å; F18-Y28 HydrophobicContact CD2-CD2 3.92Å; F18-Y28 AromaticContact CD2-CG 3.76Å; F18-Y28 HydrophobicContact CD2-CG 3.76Å; F18-Y28 HydrophobicContact CG-CD1 4.43Å; F18-Y28 HydrophobicContact CG-CD2 4.22Å; F18-Y28 HydrophobicContact CG-CG 4.12Å; F18-V59 HydrophobicContact CB-CG2 4.4Å; F18-V59 PolarHBondContact N-O 3.42Å; F18-H63 AromaticContact CD1-CD2 3.77Å; F18-H63 AromaticContact CD1-CE1 3.31Å; F18-H63 WeakPolarHBondContact CD1-CE1 3.47Å; F18-H63 AromaticContact CD1-CG 3.95Å; F18-H63 AromaticContact CD1-ND1 3.67Å; F18-H63 AromaticContact CD1-NE2 3.37Å; F18-H63 WeakPolarHBondContact CD1-NE2 3.14Å; F18-H63 AromaticContact CE1-CE1 3.92Å; F18-H63 AromaticContact CE1-NE2 3.57Å; F18-H63 PolarHBondContact O-CE1 3.43Å; F18-H63 VanDerWaalsContact O-CE1 3.3Å
19E91.9Very high92.5Very high92 Ų9276.7 Ų76.743%0.4340%0.401SS..  trans-125.2100.9179.4179.552.2-111.400110.3S17 S21 S22 E23S17-E19 PolarHBondContact O-N 3.5Å; E19-S21 VanDerWaalsContact CD-OG 3.22Å; E19-S21 VanDerWaalsContact CG-OG 3.3Å; E19-S21 WeakPolarHBondContact CG-OG 3.38Å; E19-S21 PolarHBondContact O-N 2.95Å; E19-S21 VanDerWaalsContact O-N 3.07Å; E19-S21 WeakPolarHBondContact OE1-CB 3.04Å; E19-S21 PolarHBondContact OE1-N 3.14Å; E19-S21 PolarHBondContact OE1-OG 3.27Å; E19-S22 WeakPolarHBondContact CB-OG 3.4Å; E19-S22 PolarHBondContact O-N 2.76Å; E19-S22 PolarHBondContact O-OG 3.22Å; E19-E23 PolarHBondContact O-N 3.49Å; E19-E23 VanDerWaalsContact O-N 3.08Å
20P90.4Very high92.6Very high73 Ų7382.4 Ų82.447%0.47443%0.426SS..THydrogen-bonded Turntrans-61-20.4-176.3-22.730.8000114.4F18 S22F18-P20 HydrophobicContact CD1-CG 4.27Å; F18-P20 HydrophobicContact CE1-CB 4.43Å; F18-P20 HydrophobicContact CE1-CG 3.68Å; F18-P20 HydrophobicContact CZ-CB 4.2Å; F18-P20 HydrophobicContact CZ-CG 3.91Å; P20-S22 VanDerWaalsContact C-N 3.32Å
21S91.7Very high92.8Very high105 Ų10583.4 Ų83.473%0.73443%0.427SS*.THydrogen-bonded Turntrans-77.3-16.2176.261.70000113.9E19E19-S21 VanDerWaalsContact CD-OG 3.22Å; E19-S21 VanDerWaalsContact CG-OG 3.3Å; E19-S21 WeakPolarHBondContact CG-OG 3.38Å; E19-S21 PolarHBondContact O-N 2.95Å; E19-S21 VanDerWaalsContact O-N 3.07Å; E19-S21 WeakPolarHBondContact OE1-CB 3.04Å; E19-S21 PolarHBondContact OE1-N 3.14Å; E19-S21 PolarHBondContact OE1-OG 3.27Å
22S91.5Very high93Very high92 Ų9275.9 Ų75.964%0.64339%0.391SS*.THydrogen-bonded Turntrans-117.7-28.7-17669.50000114.3E19 P20E19-S22 WeakPolarHBondContact CB-OG 3.4Å; E19-S22 PolarHBondContact O-N 2.76Å; E19-S22 PolarHBondContact O-OG 3.22Å; P20-S22 VanDerWaalsContact C-N 3.32Å
23E92.6Very high93.1Very high34 Ų3469.5 Ų69.516%0.15937%0.369CS..  trans-142.9153.9-178.169.8-175.4146.400113F18 E19 Y28 R31F18-E23 HydrophobicContact CD2-CG 3.9Å; F18-E23 HydrophobicContact CE2-CG 3.93Å; F18-E23 WeakPolarHBondContact CE2-O 3.39Å; E19-E23 PolarHBondContact O-N 3.49Å; E19-E23 VanDerWaalsContact O-N 3.08Å; E23-Y28 WeakPolarHBondContact OE1-CD2 3.38Å; E23-R31 IonicContact OE1-NH2 3.81Å; E23-R31 PolarHBondContact OE1-NH2 2.88Å; E23-R31 IonicContact OE2-CZ 2.72Å; E23-R31 IonicContact OE2-NE 2.86Å; E23-R31 PolarHBondContact OE2-NE 3.39Å; E23-R31 IonicContact OE2-NH2 3.5Å; E23-R31 PolarHBondContact OE2-NH2 3.29Å
24E89.6Confident93.2Very high127 Ų12773 Ų7359%0.59339%0.394SS*.  trans-82.2149.5170.6-58.5-178-146.800111.2A26 Y27 Y28E24-A26 PolarHBondContact O-N 2.92Å; E24-Y27 HydrophobicContact CB-CD2 3.75Å; E24-Y27 HydrophobicContact CB-CE2 4.22Å; E24-Y27 HydrophobicContact CG-CD2 4.18Å; E24-Y27 HydrophobicContact CG-CE2 4.26Å; E24-Y27 PolarHBondContact O-N 2.9Å; E24-Y28 PolarHBondContact O-N 3.46Å
25W89.8Confident93.4Very high118 Ų11871.7 Ų71.745%0.44738%0.378SS..Hα-helixtrans-54.4-38179.2178.9-108.3000113.6F18 Y27 Y28 I29 V59F18-W25 HydrophobicContact CB-CZ3 4.26Å; F18-W25 AromaticContact CD1-CE3 3.62Å; F18-W25 HydrophobicContact CD1-CE3 3.62Å; F18-W25 AromaticContact CD1-CZ3 3.82Å; F18-W25 HydrophobicContact CD1-CZ3 3.82Å; F18-W25 HydrophobicContact CD2-CE3 4.12Å; F18-W25 AromaticContact CE1-CE3 3.73Å; F18-W25 HydrophobicContact CE1-CE3 3.73Å; F18-W25 HydrophobicContact CE1-CZ3 4.36Å; F18-W25 HydrophobicContact CE2-CB 4.42Å; F18-W25 HydrophobicContact CE2-CE3 4.21Å; F18-W25 AromaticContact CG-CE3 3.85Å; F18-W25 HydrophobicContact CG-CE3 3.85Å; F18-W25 AromaticContact CG-CZ3 3.98Å; F18-W25 HydrophobicContact CG-CZ3 3.98Å; F18-W25 HydrophobicContact CZ-CB 4.08Å; F18-W25 HydrophobicContact CZ-CE3 4.04Å; W25-Y27 VanDerWaalsContact C-N 3.34Å; W25-Y27 PolarHBondContact O-N 2.86Å; W25-Y28 AromaticContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CG 4.4Å; W25-Y28 HydrophobicContact CH2-CD1 4.04Å; W25-Y28 HydrophobicContact CH2-CE1 4.14Å; W25-Y28 AromaticContact CZ3-CD1 3.46Å; W25-Y28 HydrophobicContact CZ3-CD1 3.46Å; W25-Y28 VanDerWaalsContact CZ3-CD1 3.46Å; W25-Y28 AromaticContact CZ3-CE1 3.78Å; W25-Y28 HydrophobicContact CZ3-CE1 3.78Å; W25-Y28 HydrophobicContact CZ3-CG 4.37Å; W25-Y28 WeakPolarHBondContact O-CB 3.35Å; W25-Y28 PolarHBondContact O-N 3.49Å; W25-I29 HydrophobicContact CD2-CG1 4.08Å; W25-I29 HydrophobicContact CH2-CD1 3.91Å; W25-I29 HydrophobicContact CH2-CG1 4.36Å; W25-I29 HydrophobicContact CZ2-CD1 3.49Å; W25-I29 VanDerWaalsContact CZ2-CD1 3.49Å; W25-I29 HydrophobicContact CZ2-CG1 3.75Å; W25-I29 WeakPolarHBondContact O-CG1 3.05Å; W25-I29 PolarHBondContact O-N 3.24Å; W25-V59 HydrophobicContact CH2-CG2 3.76Å; W25-V59 HydrophobicContact CZ3-CG2 3.69Å
26A89.1Confident93.4Very high59 Ų5970.6 Ų70.649%0.48837%0.373SS..Hα-helixtrans-59.9-44.5177.500000111.4E24 I29 E30E24-A26 PolarHBondContact O-N 2.92Å; A26-I29 PolarHBondContact O-N 2.94Å; A26-E30 WeakPolarHBondContact O-CG 3.34Å; A26-E30 PolarHBondContact O-N 3.4Å
27Y91.8Very high93.4Very high151 Ų15167.5 Ų67.559%0.59236%0.363SS*.Hα-helixtrans-70.4-36.6178-61.4-56.3000112.5E24 W25 I29 E30 R31E24-Y27 HydrophobicContact CB-CD2 3.75Å; E24-Y27 HydrophobicContact CB-CE2 4.22Å; E24-Y27 HydrophobicContact CG-CD2 4.18Å; E24-Y27 HydrophobicContact CG-CE2 4.26Å; E24-Y27 PolarHBondContact O-N 2.9Å; W25-Y27 VanDerWaalsContact C-N 3.34Å; W25-Y27 PolarHBondContact O-N 2.86Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.27Å; Y27-E30 PolarHBondContact O-N 3.45Å; Y27-R31 VanDerWaalsContact O-CB 3.26Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 PolarHBondContact O-N 2.64Å
28Y94.8Very high93.4Very high0 Ų069.7 Ų69.70%037%0.373CS..Hα-helixtrans-56.7-47172.6177.4-98000111.5F15 D16 F18 E23 E24 W25 R31 F32 L55 K58 V59F15-Y28 HydrophobicContact CD1-CE2 4.05Å; F15-Y28 HydrophobicContact CE1-CD2 4.04Å; F15-Y28 AromaticContact CE1-CE2 3.5Å; F15-Y28 HydrophobicContact CE1-CE2 3.5Å; F15-Y28 VanDerWaalsContact CE1-CE2 3.5Å; F15-Y28 AromaticContact CE1-CZ 3.8Å; D16-Y28 WeakPolarHBondContact O-CE2 3.19Å; F18-Y28 HydrophobicContact CB-CD1 4.14Å; F18-Y28 HydrophobicContact CB-CD2 3.68Å; F18-Y28 HydrophobicContact CB-CE1 4.11Å; F18-Y28 HydrophobicContact CB-CE2 3.62Å; F18-Y28 HydrophobicContact CB-CG 3.94Å; F18-Y28 HydrophobicContact CD2-CD1 4.43Å; F18-Y28 AromaticContact CD2-CD2 3.92Å; F18-Y28 HydrophobicContact CD2-CD2 3.92Å; F18-Y28 AromaticContact CD2-CG 3.76Å; F18-Y28 HydrophobicContact CD2-CG 3.76Å; F18-Y28 HydrophobicContact CG-CD1 4.43Å; F18-Y28 HydrophobicContact CG-CD2 4.22Å; F18-Y28 HydrophobicContact CG-CG 4.12Å; E23-Y28 WeakPolarHBondContact OE1-CD2 3.38Å; E24-Y28 PolarHBondContact O-N 3.46Å; W25-Y28 AromaticContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CD1 3.82Å; W25-Y28 HydrophobicContact CE3-CG 4.4Å; W25-Y28 HydrophobicContact CH2-CD1 4.04Å; W25-Y28 HydrophobicContact CH2-CE1 4.14Å; W25-Y28 AromaticContact CZ3-CD1 3.46Å; W25-Y28 HydrophobicContact CZ3-CD1 3.46Å; W25-Y28 VanDerWaalsContact CZ3-CD1 3.46Å; W25-Y28 AromaticContact CZ3-CE1 3.78Å; W25-Y28 HydrophobicContact CZ3-CE1 3.78Å; W25-Y28 HydrophobicContact CZ3-CG 4.37Å; W25-Y28 WeakPolarHBondContact O-CB 3.35Å; W25-Y28 PolarHBondContact O-N 3.49Å; Y28-R31 PolarHBondContact O-N 3.38Å; Y28-F32 WeakPolarHBondContact O-CB 3.41Å; Y28-F32 PolarHBondContact O-N 3.04Å; Y28-L55 HydrophobicContact CE1-CD1 4.07Å; Y28-K58 VanDerWaalsContact OH-C 3.3Å; Y28-K58 PolarHBondContact OH-O 2.92Å; Y28-V59 HydrophobicContact CE1-CG2 4.46Å; Y28-V59 WeakPolarHBondContact OH-CA 3.4Å; Y28-V59 PolarHBondContact OH-N 2.77Å
29I93.9Very high93.4Very high33 Ų3370.7 Ų70.717%0.16938%0.378CS..Hα-helixtrans-68-45.6-179.4-68.8-70.1000111.7W25 A26 Y27 R31 F32 E33 L55W25-I29 HydrophobicContact CD2-CG1 4.08Å; W25-I29 HydrophobicContact CH2-CD1 3.91Å; W25-I29 HydrophobicContact CH2-CG1 4.36Å; W25-I29 HydrophobicContact CZ2-CD1 3.49Å; W25-I29 VanDerWaalsContact CZ2-CD1 3.49Å; W25-I29 HydrophobicContact CZ2-CG1 3.75Å; W25-I29 WeakPolarHBondContact O-CG1 3.05Å; W25-I29 PolarHBondContact O-N 3.24Å; A26-I29 PolarHBondContact O-N 2.94Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.27Å; I29-R31 VanDerWaalsContact C-N 3.27Å; I29-R31 PolarHBondContact O-N 2.93Å; I29-F32 WeakPolarHBondContact O-CB 3.38Å; I29-F32 PolarHBondContact O-N 3.07Å; I29-F32 VanDerWaalsContact O-N 3.14Å; I29-E33 HydrophobicContact CG2-CG 4.29Å; I29-E33 WeakPolarHBondContact O-CG 3.03Å; I29-E33 PolarHBondContact O-N 3.2Å; I29-L55 HydrophobicContact CD1-CD1 3.97Å; I29-L55 HydrophobicContact CD1-CD2 4.5Å
30E93.1Very high93.5Very high127 Ų12768.4 Ų68.459%0.59338%0.379SS*.Hα-helixtrans-58.8-41.3176-71.5-66.1155.400111.5A26 Y27 E33 C34A26-E30 WeakPolarHBondContact O-CG 3.34Å; A26-E30 PolarHBondContact O-N 3.4Å; Y27-E30 PolarHBondContact O-N 3.45Å; E30-E33 PolarHBondContact O-N 3.23Å; E30-C34 PolarHBondContact O-N 3.46Å; E30-C34 PolarHBondContact O-SG 2.68Å; E30-C34 VanDerWaalsContact O-SG 3.4Å
31R96.1Very high93.7Very high91 Ų9165 Ų6534%0.34336%0.356SS..Hα-helixtrans-66.9-38.7176.5-167.8165.156.7100.5-2.5111.9F15 D16 E23 Y27 Y28 I29 C34 E35F15-R31 HydrophobicContact CE2-CB 4.47Å; F15-R31 HydrophobicContact CE2-CG 3.92Å; F15-R31 HydrophobicContact CZ-CB 3.96Å; F15-R31 HydrophobicContact CZ-CG 3.81Å; D16-R31 IonicContact OD2-NH1 2.82Å; E23-R31 IonicContact OE1-NH2 3.81Å; E23-R31 PolarHBondContact OE1-NH2 2.88Å; E23-R31 IonicContact OE2-CZ 2.72Å; E23-R31 IonicContact OE2-NE 2.86Å; E23-R31 PolarHBondContact OE2-NE 3.39Å; E23-R31 IonicContact OE2-NH2 3.5Å; E23-R31 PolarHBondContact OE2-NH2 3.29Å; Y27-R31 VanDerWaalsContact O-CB 3.26Å; Y27-R31 WeakPolarHBondContact O-CB 3.48Å; Y27-R31 PolarHBondContact O-N 2.64Å; Y28-R31 PolarHBondContact O-N 3.38Å; I29-R31 VanDerWaalsContact C-N 3.27Å; I29-R31 PolarHBondContact O-N 2.93Å; R31-C34 WeakPolarHBondContact O-CB 3.11Å; R31-C34 PolarHBondContact O-N 2.97Å; R31-E35 PolarHBondContact O-N 3.27Å
32F96.6Very high93.7Very high1 Ų165.8 Ų65.80%0.00434%0.343CS..Hα-helixtrans-64.8-42.8175.1-177.8-101.9000111.7F13 F15 Y28 I29 E35 L36 L54 L55 K58F13-F32 HydrophobicContact CE1-CD2 4.23Å; F13-F32 AromaticContact CE1-CE2 3.65Å; F13-F32 HydrophobicContact CE1-CE2 3.65Å; F13-F32 HydrophobicContact CE1-CZ 4.46Å; F13-F32 HydrophobicContact CZ-CD2 4.13Å; F13-F32 AromaticContact CZ-CE2 3.76Å; F13-F32 HydrophobicContact CZ-CE2 3.76Å; F13-F32 HydrophobicContact CZ-CZ 4.37Å; F15-F32 AromaticContact CD1-CD2 3.75Å; F15-F32 HydrophobicContact CD1-CD2 3.75Å; F15-F32 HydrophobicContact CE1-CB 3.82Å; F15-F32 AromaticContact CE1-CD2 3.87Å; F15-F32 HydrophobicContact CE1-CD2 3.87Å; F15-F32 HydrophobicContact CE1-CG 4.36Å; F15-F32 HydrophobicContact CG-CD2 4.18Å; F15-F32 VanDerWaalsContact CZ-CA 3.45Å; F15-F32 HydrophobicContact CZ-CB 3.84Å; F15-F32 HydrophobicContact CZ-CD2 4.41Å; F15-F32 VanDerWaalsContact CZ-N 3.31Å; Y28-F32 WeakPolarHBondContact O-CB 3.41Å; Y28-F32 PolarHBondContact O-N 3.04Å; I29-F32 WeakPolarHBondContact O-CB 3.38Å; I29-F32 PolarHBondContact O-N 3.07Å; I29-F32 VanDerWaalsContact O-N 3.14Å; F32-E35 PolarHBondContact O-N 3.33Å; F32-L36 HydrophobicContact CD1-CD1 3.76Å; F32-L36 HydrophobicContact CD1-CG 4.2Å; F32-L36 HydrophobicContact CE1-CD1 3.43Å; F32-L36 VanDerWaalsContact CE1-CD1 3.43Å; F32-L36 HydrophobicContact CE1-CD2 4.27Å; F32-L36 HydrophobicContact CE1-CG 3.91Å; F32-L36 HydrophobicContact CZ-CD1 4.15Å; F32-L36 HydrophobicContact CZ-CD2 4.16Å; F32-L36 HydrophobicContact CZ-CG 4.21Å; F32-L36 WeakPolarHBondContact O-CG 3.46Å; F32-L36 PolarHBondContact O-N 3.4Å; F32-L54 HydrophobicContact CE2-CB 4.28Å; F32-L54 HydrophobicContact CZ-CB 3.85Å; F32-L55 HydrophobicContact CD1-CD1 4.05Å; F32-L55 HydrophobicContact CE1-CB 3.8Å; F32-L55 HydrophobicContact CE1-CD1 4Å; F32-L55 HydrophobicContact CE1-CG 4.42Å; F32-L55 HydrophobicContact CG-CD1 4.35Å; F32-L55 HydrophobicContact CZ-CB 3.76Å; F32-L55 HydrophobicContact CZ-CD1 4.28Å; F32-L55 VanDerWaalsContact CZ-N 3.33Å; F32-K58 HydrophobicContact CE2-CB 4.43Å
33E95.2Very high93.6Very high41 Ų4166.4 Ų66.419%0.19234%0.339CS..Hα-helixtrans-65.4-37175.7-68.7-67.4166.700112.1I29 E30 L36 A37I29-E33 HydrophobicContact CG2-CG 4.29Å; I29-E33 WeakPolarHBondContact O-CG 3.03Å; I29-E33 PolarHBondContact O-N 3.2Å; E30-E33 PolarHBondContact O-N 3.23Å; E33-L36 PolarHBondContact O-N 3.12Å; E33-A37 PolarHBondContact O-N 2.87Å
34C95.8Very high93.4Very high81 Ų8167 Ų6755%0.54736%0.355SS..Hα-helixtrans-59.8-46.3169.8-78.60000111.7E30 R31 A37 V38E30-C34 PolarHBondContact O-N 3.46Å; E30-C34 PolarHBondContact O-SG 2.68Å; E30-C34 VanDerWaalsContact O-SG 3.4Å; R31-C34 WeakPolarHBondContact O-CB 3.11Å; R31-C34 PolarHBondContact O-N 2.97Å; C34-A37 WeakPolarHBondContact O-CB 3.47Å; C34-A37 PolarHBondContact O-N 2.98Å; C34-A37 VanDerWaalsContact O-N 3.12Å; C34-V38 PolarHBondContact O-N 3.25Å; C34-V38 VanDerWaalsContact O-N 3.14Å
35E96.8Very high93.3Very high59 Ų5965.3 Ų65.328%0.27636%0.362SS..Hα-helixtrans-63.9-42.6177.5-162.569.3-16300111.1F13 F15 R31 F32 A37 V38 F39F13-E35 HydrophobicContact CD2-CG 4.38Å; F13-E35 HydrophobicContact CE1-CG 4.38Å; F13-E35 HydrophobicContact CE2-CB 4.01Å; F13-E35 HydrophobicContact CE2-CG 3.6Å; F13-E35 HydrophobicContact CZ-CB 3.84Å; F13-E35 HydrophobicContact CZ-CG 3.62Å; F15-E35 HydrophobicContact CD2-CB 3.82Å; F15-E35 HydrophobicContact CD2-CG 3.83Å; F15-E35 HydrophobicContact CE2-CB 3.89Å; F15-E35 HydrophobicContact CE2-CG 4.36Å; R31-E35 PolarHBondContact O-N 3.27Å; F32-E35 PolarHBondContact O-N 3.33Å; E35-A37 PolarHBondContact O-N 3.27Å; E35-V38 WeakPolarHBondContact O-CB 3.21Å; E35-V38 PolarHBondContact O-N 2.93Å; E35-V38 VanDerWaalsContact O-N 3.13Å; E35-F39 HydrophobicContact CG-CD2 4.36Å; E35-F39 HydrophobicContact CG-CE2 4.29Å; E35-F39 WeakPolarHBondContact O-CD2 3.48Å; E35-F39 PolarHBondContact O-N 3.32Å; E35-F39 WeakPolarHBondContact OE1-CE2 3.08Å
36L96.5Very high93.1Very high0 Ų062.8 Ų62.80%037%0.367CS..Hα-helixtrans-57.6-37173.3-71.5176000112F13 F32 E33 F39 G40 L41 R42 R51 L54F13-L36 HydrophobicContact CE2-CD2 3.74Å; F13-L36 HydrophobicContact CE2-CG 4.29Å; F13-L36 HydrophobicContact CZ-CD2 3.95Å; F13-L36 HydrophobicContact CZ-CG 4.31Å; F32-L36 HydrophobicContact CD1-CD1 3.76Å; F32-L36 HydrophobicContact CD1-CG 4.2Å; F32-L36 HydrophobicContact CE1-CD1 3.43Å; F32-L36 VanDerWaalsContact CE1-CD1 3.43Å; F32-L36 HydrophobicContact CE1-CD2 4.27Å; F32-L36 HydrophobicContact CE1-CG 3.91Å; F32-L36 HydrophobicContact CZ-CD1 4.15Å; F32-L36 HydrophobicContact CZ-CD2 4.16Å; F32-L36 HydrophobicContact CZ-CG 4.21Å; F32-L36 WeakPolarHBondContact O-CG 3.46Å; F32-L36 PolarHBondContact O-N 3.4Å; E33-L36 PolarHBondContact O-N 3.12Å; L36-F39 PolarHBondContact O-N 3.41Å; L36-G40 PolarHBondContact O-N 2.95Å; L36-L41 HydrophobicContact CB-CB 4.33Å; L36-L41 HydrophobicContact CD2-CB 3.78Å; L36-L41 HydrophobicContact CD2-CD1 4.23Å; L36-L41 WeakPolarHBondContact O-CA 3.47Å; L36-L41 PolarHBondContact O-N 3.29Å; L36-R42 HydrophobicContact CB-CB 4.21Å; L36-R42 PolarHBondContact O-N 2.72Å; L36-R51 HydrophobicContact CD1-CB 4.27Å; L36-R51 HydrophobicContact CD1-CG 3.71Å; L36-R51 HydrophobicContact CD2-CG 4.07Å; L36-R51 HydrophobicContact CG-CG 4.5Å; L36-L54 HydrophobicContact CD2-CD1 3.9Å
37A95.1Very high93.2Very high45 Ų4560.1 Ų60.137%0.37235%0.345SS..Hα-helixtrans-65.4-41.1176.900000112.1E33 C34 E35 F39 G40 R42E33-A37 PolarHBondContact O-N 2.87Å; C34-A37 WeakPolarHBondContact O-CB 3.47Å; C34-A37 PolarHBondContact O-N 2.98Å; C34-A37 VanDerWaalsContact O-N 3.12Å; E35-A37 PolarHBondContact O-N 3.27Å; A37-F39 PolarHBondContact O-N 2.64Å; A37-G40 PolarHBondContact O-N 3.24Å; A37-R42 HydrophobicContact CB-CB 4.17Å
38V95.2Very high93Very high112 Ų11254.3 Ų54.368%0.67932%0.323SS*.Hα-helixtrans-57.1-38.4176.11730000111.3C34 E35C34-V38 PolarHBondContact O-N 3.25Å; C34-V38 VanDerWaalsContact O-N 3.14Å; E35-V38 WeakPolarHBondContact O-CB 3.21Å; E35-V38 PolarHBondContact O-N 2.93Å; E35-V38 VanDerWaalsContact O-N 3.13Å
39F94.8Very high92.7Very high44 Ų4458.2 Ų58.219%0.19335%0.348CS..THydrogen-bonded Turntrans-89.33.3179.7-75.7-84.7000114.5M1 A9 R12 F13 E35 L36 A37 L41M1-F39 WeakPolarHBondContact CE-O 3.38Å; A9-F39 HydrophobicContact CB-CB 4.22Å; A9-F39 HydrophobicContact CB-CD1 4.2Å; R12-F39 HydrophobicContact CB-CD1 4.5Å; R12-F39 HydrophobicContact CB-CE1 3.6Å; R12-F39 HydrophobicContact CB-CZ 4.29Å; R12-F39 WeakPolarHBondContact O-CZ 3.48Å; F13-F39 HydrophobicContact CD2-CB 4.34Å; F13-F39 AromaticContact CD2-CD2 3.58Å; F13-F39 HydrophobicContact CD2-CD2 3.58Å; F13-F39 HydrophobicContact CD2-CE2 4.05Å; F13-F39 AromaticContact CD2-CG 3.98Å; F13-F39 HydrophobicContact CD2-CG 3.98Å; F13-F39 AromaticContact CE2-CD2 3.97Å; F13-F39 HydrophobicContact CE2-CD2 3.97Å; E35-F39 HydrophobicContact CG-CD2 4.36Å; E35-F39 HydrophobicContact CG-CE2 4.29Å; E35-F39 WeakPolarHBondContact O-CD2 3.48Å; E35-F39 PolarHBondContact O-N 3.32Å; E35-F39 WeakPolarHBondContact OE1-CE2 3.08Å; L36-F39 PolarHBondContact O-N 3.41Å; A37-F39 PolarHBondContact O-N 2.64Å; F39-L41 HydrophobicContact CB-CD1 3.97Å; F39-L41 HydrophobicContact CB-CG 4Å; F39-L41 PolarHBondContact O-N 2.92Å
40G93.7Very high92.6Very high44 Ų4456.8 Ų56.845%0.45434%0.342SS..THydrogen-bonded Turntrans67.419.7-176.600000114L36 A37L36-G40 PolarHBondContact O-N 2.95Å; A37-G40 PolarHBondContact O-N 3.24Å
41L94.5Very high92.6Very high0 Ų052.1 Ų52.10%032%0.318CS..  trans-97.6-12.2-177-65.4177.1000113.5M1 V6 A9 F13 L36 F39 D43 T47 A50 R51 L54M1-L41 HydrophobicContact CE-CD2 3.86Å; M1-L41 HydrophobicContact SD-CD2 3.72Å; V6-L41 HydrophobicContact CG1-CD2 4.17Å; V6-L41 HydrophobicContact CG2-CD2 4.46Å; A9-L41 HydrophobicContact CB-CD1 3.92Å; A9-L41 HydrophobicContact CB-CD2 4.03Å; A9-L41 HydrophobicContact CB-CG 4.02Å; F13-L41 HydrophobicContact CD2-CD1 4.25Å; L36-L41 HydrophobicContact CB-CB 4.33Å; L36-L41 HydrophobicContact CD2-CB 3.78Å; L36-L41 HydrophobicContact CD2-CD1 4.23Å; L36-L41 WeakPolarHBondContact O-CA 3.47Å; L36-L41 PolarHBondContact O-N 3.29Å; F39-L41 HydrophobicContact CB-CD1 3.97Å; F39-L41 HydrophobicContact CB-CG 4Å; F39-L41 PolarHBondContact O-N 2.92Å; L41-D43 PolarHBondContact O-N 3.38Å; L41-T47 HydrophobicContact CD2-CG2 3.95Å; L41-T47 WeakPolarHBondContact O-CB 3.49Å; L41-A50 HydrophobicContact CD2-CB 4.45Å; L41-R51 VanDerWaalsContact O-CD 3.23Å; L41-R51 WeakPolarHBondContact O-CD 3.29Å; L41-R51 VanDerWaalsContact O-CG 3.23Å; L41-R51 WeakPolarHBondContact O-CG 3.47Å; L41-R51 PolarHBondContact O-NH1 3.16Å; L41-L54 HydrophobicContact CD1-CD1 3.54Å
42R92.4Very high92.2Very high122 Ų12249 Ų4946%0.4631%0.306SS..SBendtrans-57.5-46.3-174.6-168.4-17670.3-1752.9113.1L36 A37 R51L36-R42 HydrophobicContact CB-CB 4.21Å; L36-R42 PolarHBondContact O-N 2.72Å; A37-R42 HydrophobicContact CB-CB 4.17Å; R42-R51 VanDerWaalsContact O-CD 3.29Å; R42-R51 WeakPolarHBondContact O-CD 3.48Å; R42-R51 PolarHBondContact O-NE 2.92Å; R42-R51 PolarHBondContact O-NH1 3.01Å
43D89.1Confident91.9Very high105 Ų10550.8 Ų50.856%0.56132%0.322SS*.SBendtrans-116.7154.5-170.4-63-58.1000112.1L41 T47L41-D43 PolarHBondContact O-N 3.38Å; D43-T47 PolarHBondContact O-OG1 2.89Å
44G87.9Confident91.8Very high47 Ų4749.3 Ų49.349%0.48532%0.315SS..SBendtrans106.5151.7174.700000114.6T47 R51G44-T47 PolarHBondContact O-OG1 3.39Å; G44-R51 PolarHBondContact O-NH1 3.26Å; G44-R51 PolarHBondContact O-NH2 3.36Å
45A86.5Confident91.6Very high91 Ų9146.9 Ų46.975%0.75230%0.297SS*.SBendtrans-71.2-35.8178.500000112.2T47 E48A45-T47 VanDerWaalsContact C-N 3.26Å; A45-T47 PolarHBondContact O-N 3.3Å; A45-E48 WeakPolarHBondContact O-CB 3.44Å; A45-E48 PolarHBondContact O-N 3.01Å
46A86.8Confident91.3Very high66 Ų6644.9 Ų44.955%0.54529%0.287SS..THydrogen-bonded Turntrans-67.4-26-179.600000113.6
47T90.6Very high91Very high3 Ų348.4 Ų48.42%0.01831%0.312CS..THydrogen-bonded Turntrans-91.3-10-179.444.30000112.2M1 V6 L41 D43 G44 A45 A50 R51M1-T47 HydrophobicContact CB-CG2 4.06Å; M1-T47 HydrophobicContact SD-CG2 3.66Å; V6-T47 HydrophobicContact CG2-CG2 3.97Å; L41-T47 HydrophobicContact CD2-CG2 3.95Å; L41-T47 WeakPolarHBondContact O-CB 3.49Å; D43-T47 PolarHBondContact O-OG1 2.89Å; G44-T47 PolarHBondContact O-OG1 3.39Å; A45-T47 VanDerWaalsContact C-N 3.26Å; A45-T47 PolarHBondContact O-N 3.3Å; T47-A50 WeakPolarHBondContact O-CB 3.46Å; T47-A50 PolarHBondContact O-N 3.06Å; T47-A50 VanDerWaalsContact O-N 3.14Å; T47-R51 PolarHBondContact O-N 3.46Å; T47-R51 PolarHBondContact OG1-NH1 2.77Å
48E88.7Confident91Very high28 Ų2848.5 Ų48.513%0.13130%0.304CS..Hα-helixtrans-60.9-48.2-174.4-161.2-61.6134.700112.9A45 A50 R51 R52A45-E48 WeakPolarHBondContact O-CB 3.44Å; A45-E48 PolarHBondContact O-N 3.01Å; E48-A50 PolarHBondContact O-N 2.58Å; E48-R51 PolarHBondContact O-N 3.01Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-R52 PolarHBondContact O-N 2.99Å; E48-R52 VanDerWaalsContact O-N 3.16Å; E48-R52 WeakPolarHBondContact OE1-CD 3.5Å; E48-R52 VanDerWaalsContact OE1-CG 3.3Å; E48-R52 WeakPolarHBondContact OE1-CG 3.39Å; E48-R52 IonicContact OE1-CZ 2.66Å; E48-R52 IonicContact OE1-NE 2.96Å; E48-R52 PolarHBondContact OE1-NE 3.22Å; E48-R52 IonicContact OE1-NH1 3.54Å; E48-R52 PolarHBondContact OE1-NH1 3.38Å; E48-R52 IonicContact OE1-NH2 2.77Å; E48-R52 PolarHBondContact OE1-NH2 3.36Å; E48-R52 IonicContact OE2-CZ 3.36Å; E48-R52 IonicContact OE2-NE 3.1Å; E48-R52 IonicContact OE2-NH1 3.48Å; E48-R52 PolarHBondContact OE2-NH1 3.26Å; E48-R52 IonicContact OE2-NH2 3.49Å; E48-R52 PolarHBondContact OE2-NH2 2.91Å
49P88.3Confident90.8Very high82 Ų8243.3 Ų43.353%0.53227%0.273SS..Hα-helixtrans-60.4-34.7176.1-23.435.3000112.4A53P49-A53 WeakPolarHBondContact O-CB 3.34Å; P49-A53 PolarHBondContact O-N 3.3Å
50A90.8Very high90.7Very high4 Ų441.8 Ų41.83%0.03327%0.269CS..Hα-helixtrans-68.3-43.5177.300000111.9V6 Q10 L41 T47 E48 R52 A53 L54V6-A50 HydrophobicContact CG1-CB 3.5Å; Q10-A50 HydrophobicContact CG-CB 3.86Å; L41-A50 HydrophobicContact CD2-CB 4.45Å; T47-A50 WeakPolarHBondContact O-CB 3.46Å; T47-A50 PolarHBondContact O-N 3.06Å; T47-A50 VanDerWaalsContact O-N 3.14Å; E48-A50 PolarHBondContact O-N 2.58Å; A50-R52 PolarHBondContact O-N 2.66Å; A50-A53 PolarHBondContact O-N 2.86Å; A50-L54 VanDerWaalsContact O-CB 3.29Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 WeakPolarHBondContact O-CG 3.37Å; A50-L54 PolarHBondContact O-N 2.95Å
51R93.1Very high90.4Very high29 Ų2948.9 Ų48.911%0.10929%0.288CS..Hα-helixtrans-57.2-48.2175.6-71.4-165.2-69.5-78.60.4111.8L36 L41 R42 G44 T47 E48 L54 L55L36-R51 HydrophobicContact CD1-CB 4.27Å; L36-R51 HydrophobicContact CD1-CG 3.71Å; L36-R51 HydrophobicContact CD2-CG 4.07Å; L36-R51 HydrophobicContact CG-CG 4.5Å; L41-R51 VanDerWaalsContact O-CD 3.23Å; L41-R51 WeakPolarHBondContact O-CD 3.29Å; L41-R51 VanDerWaalsContact O-CG 3.23Å; L41-R51 WeakPolarHBondContact O-CG 3.47Å; L41-R51 PolarHBondContact O-NH1 3.16Å; R42-R51 VanDerWaalsContact O-CD 3.29Å; R42-R51 WeakPolarHBondContact O-CD 3.48Å; R42-R51 PolarHBondContact O-NE 2.92Å; R42-R51 PolarHBondContact O-NH1 3.01Å; G44-R51 PolarHBondContact O-NH1 3.26Å; G44-R51 PolarHBondContact O-NH2 3.36Å; T47-R51 PolarHBondContact O-N 3.46Å; T47-R51 PolarHBondContact OG1-NH1 2.77Å; E48-R51 PolarHBondContact O-N 3.01Å; E48-R51 VanDerWaalsContact O-N 3.16Å; R51-L54 PolarHBondContact O-N 3.14Å; R51-L55 WeakPolarHBondContact O-CB 3.41Å; R51-L55 PolarHBondContact O-N 3.09Å
52R88.2Confident89.8Confident24 Ų2456.1 Ų56.19%0.09132%0.322CS..Hα-helixtrans-60.5-49.8177.3-71.5-174.7177.5122.324.7112.1E48 A50 L54 L55 L56 I76 Q77 V79E48-R52 PolarHBondContact O-N 2.99Å; E48-R52 VanDerWaalsContact O-N 3.16Å; E48-R52 WeakPolarHBondContact OE1-CD 3.5Å; E48-R52 VanDerWaalsContact OE1-CG 3.3Å; E48-R52 WeakPolarHBondContact OE1-CG 3.39Å; E48-R52 IonicContact OE1-CZ 2.66Å; E48-R52 IonicContact OE1-NE 2.96Å; E48-R52 PolarHBondContact OE1-NE 3.22Å; E48-R52 IonicContact OE1-NH1 3.54Å; E48-R52 PolarHBondContact OE1-NH1 3.38Å; E48-R52 IonicContact OE1-NH2 2.77Å; E48-R52 PolarHBondContact OE1-NH2 3.36Å; E48-R52 IonicContact OE2-CZ 3.36Å; E48-R52 IonicContact OE2-NE 3.1Å; E48-R52 IonicContact OE2-NH1 3.48Å; E48-R52 PolarHBondContact OE2-NH1 3.26Å; E48-R52 IonicContact OE2-NH2 3.49Å; E48-R52 PolarHBondContact OE2-NH2 2.91Å; A50-R52 PolarHBondContact O-N 2.66Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.49Å; R52-L55 PolarHBondContact O-N 2.77Å; R52-L56 WeakPolarHBondContact O-CB 3.5Å; R52-L56 WeakPolarHBondContact O-CG 3.29Å; R52-L56 PolarHBondContact O-N 3.19Å; R52-I76 VanDerWaalsContact CD-O 3.3Å; R52-I76 WeakPolarHBondContact CD-O 3.33Å; R52-I76 PolarHBondContact NE-O 3.29Å; R52-Q77 PolarHBondContact NH1-O 3.34Å; R52-V79 PolarHBondContact NE-O 3.42Å; R52-V79 VanDerWaalsContact NE-O 3.12Å; R52-V79 PolarHBondContact NH2-O 2.98Å
53A89.3Confident89.5Confident39 Ų3951.9 Ų51.932%0.32231%0.307SS..Hα-helixtrans-60.7-42.5-179.800000111.3P49 A50 S57P49-A53 WeakPolarHBondContact O-CB 3.34Å; P49-A53 PolarHBondContact O-N 3.3Å; A50-A53 PolarHBondContact O-N 2.86Å; A53-S57 VanDerWaalsContact O-CB 3.28Å; A53-S57 WeakPolarHBondContact O-CB 3.33Å; A53-S57 PolarHBondContact O-N 3.31Å; A53-S57 PolarHBondContact O-OG 3.49Å
54L93.4Very high89.2Confident10 Ų1051 Ų515%0.05230%0.298CS..Hα-helixtrans-63.3-49.7176.8-72.8173000111.1Q10 F13 F32 L36 L41 A50 R51 R52 L56 S57 K58Q10-L54 HydrophobicContact CG-CD1 4.28Å; Q10-L54 HydrophobicContact CG-CD2 4.47Å; Q10-L54 HydrophobicContact CG-CG 4.4Å; F13-L54 HydrophobicContact CB-CD1 4.24Å; F13-L54 HydrophobicContact CB-CD2 3.79Å; F13-L54 HydrophobicContact CD1-CB 4.44Å; F13-L54 HydrophobicContact CD1-CD1 4.04Å; F13-L54 HydrophobicContact CD1-CD2 3.65Å; F13-L54 HydrophobicContact CD1-CG 4.26Å; F13-L54 HydrophobicContact CD2-CD1 3.88Å; F13-L54 HydrophobicContact CE1-CB 4.43Å; F13-L54 HydrophobicContact CE1-CD1 4.36Å; F13-L54 HydrophobicContact CE1-CD2 4.44Å; F13-L54 HydrophobicContact CE2-CD1 4.22Å; F13-L54 HydrophobicContact CG-CD1 3.77Å; F13-L54 HydrophobicContact CG-CD2 3.81Å; F13-L54 HydrophobicContact CG-CG 4.36Å; F13-L54 HydrophobicContact CZ-CD1 4.45Å; F32-L54 HydrophobicContact CE2-CB 4.28Å; F32-L54 HydrophobicContact CZ-CB 3.85Å; L36-L54 HydrophobicContact CD2-CD1 3.9Å; L41-L54 HydrophobicContact CD1-CD1 3.54Å; A50-L54 VanDerWaalsContact O-CB 3.29Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 WeakPolarHBondContact O-CG 3.37Å; A50-L54 PolarHBondContact O-N 2.95Å; R51-L54 PolarHBondContact O-N 3.14Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.49Å; L54-L56 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 2.76Å; L54-S57 WeakPolarHBondContact CA-OG 3.39Å; L54-S57 PolarHBondContact O-N 3Å; L54-S57 VanDerWaalsContact O-N 3.09Å; L54-S57 PolarHBondContact O-OG 3.31Å; L54-K58 WeakPolarHBondContact O-CB 3.3Å; L54-K58 VanDerWaalsContact O-CG 3.24Å; L54-K58 WeakPolarHBondContact O-CG 3.24Å; L54-K58 PolarHBondContact O-N 2.95Å
55L92.4Very high88.8Confident31 Ų3156.7 Ų56.716%0.16231%0.305CS..Hα-helixtrans-57.3-49.1179.4-178.161.9000111.1Y28 I29 F32 R51 R52 S57 K58 V59Y28-L55 HydrophobicContact CE1-CD1 4.07Å; I29-L55 HydrophobicContact CD1-CD1 3.97Å; I29-L55 HydrophobicContact CD1-CD2 4.5Å; F32-L55 HydrophobicContact CD1-CD1 4.05Å; F32-L55 HydrophobicContact CE1-CB 3.8Å; F32-L55 HydrophobicContact CE1-CD1 4Å; F32-L55 HydrophobicContact CE1-CG 4.42Å; F32-L55 HydrophobicContact CG-CD1 4.35Å; F32-L55 HydrophobicContact CZ-CB 3.76Å; F32-L55 HydrophobicContact CZ-CD1 4.28Å; F32-L55 VanDerWaalsContact CZ-N 3.33Å; R51-L55 WeakPolarHBondContact O-CB 3.41Å; R51-L55 PolarHBondContact O-N 3.09Å; R52-L55 PolarHBondContact O-N 2.77Å; L55-S57 VanDerWaalsContact C-N 3.3Å; L55-S57 PolarHBondContact O-N 3.21Å; L55-K58 PolarHBondContact O-N 3.04Å; L55-V59 WeakPolarHBondContact O-CB 3.34Å; L55-V59 PolarHBondContact O-N 3.33Å
56L89.8Confident88.3Confident16 Ų1655.5 Ų55.58%0.08429%0.286CS..Hα-helixtrans-60.7-39.1177.1-71.7173.1000112.4R52 L54 F64 L67 P73R52-L56 WeakPolarHBondContact O-CB 3.5Å; R52-L56 WeakPolarHBondContact O-CG 3.29Å; R52-L56 PolarHBondContact O-N 3.19Å; L54-L56 VanDerWaalsContact C-N 3.35Å; L54-L56 PolarHBondContact O-N 2.76Å; L56-F64 HydrophobicContact CB-CD2 4.32Å; L56-F64 HydrophobicContact CB-CE2 4.18Å; L56-F64 HydrophobicContact CD2-CD2 4.49Å; L56-F64 WeakPolarHBondContact O-CD2 3.33Å; L56-L67 HydrophobicContact CD2-CD1 3.79Å; L56-P73 HydrophobicContact CD1-CB 3.93Å; L56-P73 HydrophobicContact CD2-CB 4.27Å; L56-P73 HydrophobicContact CD2-CG 4.35Å
57S90.2Very high87.9Confident75 Ų7554.5 Ų54.552%0.52427%0.271SS..Hα-helixtrans-72.3-28.8178.876.50000113.4A53 L54 L55A53-S57 VanDerWaalsContact O-CB 3.28Å; A53-S57 WeakPolarHBondContact O-CB 3.33Å; A53-S57 PolarHBondContact O-N 3.31Å; A53-S57 PolarHBondContact O-OG 3.49Å; L54-S57 WeakPolarHBondContact CA-OG 3.39Å; L54-S57 PolarHBondContact O-N 3Å; L54-S57 VanDerWaalsContact O-N 3.09Å; L54-S57 PolarHBondContact O-OG 3.31Å; L55-S57 VanDerWaalsContact C-N 3.3Å; L55-S57 PolarHBondContact O-N 3.21Å
58K94.3Very high87Confident47 Ų4757 Ų5720%0.20429%0.286CS..Hα-helixtrans-101.1-20.6-171.8-61.7-56.1-175.8177.90113.8F13 F15 S17 Y28 F32 L54 L55 G60F13-K58 HydrophobicContact CD1-CG 4.37Å; F13-K58 HydrophobicContact CE1-CG 4.23Å; F13-K58 VanDerWaalsContact O-CE 3.32Å; F13-K58 WeakPolarHBondContact O-CE 3.38Å; F13-K58 PolarHBondContact O-NZ 3.22Å; F15-K58 HydrophobicContact CB-CB 4.34Å; F15-K58 HydrophobicContact CB-CD 4.22Å; F15-K58 HydrophobicContact CB-CG 4.05Å; F15-K58 HydrophobicContact CD1-CB 4.46Å; S17-K58 VanDerWaalsContact CA-O 3.25Å; S17-K58 WeakPolarHBondContact CA-O 3.45Å; S17-K58 PolarHBondContact OG-O 3.48Å; Y28-K58 VanDerWaalsContact OH-C 3.3Å; Y28-K58 PolarHBondContact OH-O 2.92Å; F32-K58 HydrophobicContact CE2-CB 4.43Å; L54-K58 WeakPolarHBondContact O-CB 3.3Å; L54-K58 VanDerWaalsContact O-CG 3.24Å; L54-K58 WeakPolarHBondContact O-CG 3.24Å; L54-K58 PolarHBondContact O-N 2.95Å; L55-K58 PolarHBondContact O-N 3.04Å; K58-G60 PolarHBondContact O-N 2.89Å
59V92.5Very high86.1Confident2 Ų258.6 Ų58.61%0.01230%0.296CS..SBendtrans-59.8-17.5-177.675.60000114.4F18 W25 Y28 L55 H63 F64 L67F18-V59 HydrophobicContact CB-CG2 4.4Å; F18-V59 PolarHBondContact N-O 3.42Å; W25-V59 HydrophobicContact CH2-CG2 3.76Å; W25-V59 HydrophobicContact CZ3-CG2 3.69Å; Y28-V59 HydrophobicContact CE1-CG2 4.46Å; Y28-V59 WeakPolarHBondContact OH-CA 3.4Å; Y28-V59 PolarHBondContact OH-N 2.77Å; L55-V59 WeakPolarHBondContact O-CB 3.34Å; L55-V59 PolarHBondContact O-N 3.33Å; V59-H63 HydrophobicContact CB-CB 4.33Å; V59-H63 HydrophobicContact CG1-CB 3.99Å; V59-H63 HydrophobicContact CG2-CB 3.62Å; V59-H63 PolarHBondContact O-ND1 3.11Å; V59-F64 HydrophobicContact CG1-CB 4.13Å; V59-L67 HydrophobicContact CG1-CD1 4.21Å
60G91.3Very high84.9Confident12 Ų1256 Ų5612%0.12428%0.276CS..  trans97.2159177.700000113.2S17 K58 Q62 H63 F64S17-G60 WeakPolarHBondContact OG-CA 3.33Å; K58-G60 PolarHBondContact O-N 2.89Å; G60-Q62 PolarHBondContact O-N 3.35Å; G60-H63 PolarHBondContact O-N 2.91Å; G60-F64 VanDerWaalsContact O-CB 3.22Å; G60-F64 WeakPolarHBondContact O-CB 3.47Å; G60-F64 PolarHBondContact O-N 3.36Å
61K87.8Confident83.9Confident194 Ų19457.1 Ų57.184%0.84328%0.281SS*.Hα-helixtrans-61-42-167.9-60.8179.4-173.4176.40113.5R65K61-R65 VanDerWaalsContact O-CB 3.3Å; K61-R65 WeakPolarHBondContact O-CB 3.05Å; K61-R65 PolarHBondContact O-N 2.94Å
62Q82.4Confident82.6Confident151 Ų15161.4 Ų61.471%0.70630%0.3SS*.Hα-helixtrans-66.2-49-178.6-179.7177.9-6.600111.4G60 R65 L66G60-Q62 PolarHBondContact O-N 3.35Å; Q62-R65 WeakPolarHBondContact O-CB 3.41Å; Q62-R65 PolarHBondContact O-N 3.35Å; Q62-L66 PolarHBondContact O-N 3.43Å
63H85.2Confident81.1Confident34 Ų3460.9 Ų60.916%0.15730%0.3CS..Hα-helixtrans-69.1-39.1179-56.3103.9000111.8F18 V59 G60 R65 L66 L67F18-H63 AromaticContact CD1-CD2 3.77Å; F18-H63 AromaticContact CD1-CE1 3.31Å; F18-H63 WeakPolarHBondContact CD1-CE1 3.47Å; F18-H63 AromaticContact CD1-CG 3.95Å; F18-H63 AromaticContact CD1-ND1 3.67Å; F18-H63 AromaticContact CD1-NE2 3.37Å; F18-H63 WeakPolarHBondContact CD1-NE2 3.14Å; F18-H63 AromaticContact CE1-CE1 3.92Å; F18-H63 AromaticContact CE1-NE2 3.57Å; F18-H63 PolarHBondContact O-CE1 3.43Å; F18-H63 VanDerWaalsContact O-CE1 3.3Å; V59-H63 HydrophobicContact CB-CB 4.33Å; V59-H63 HydrophobicContact CG1-CB 3.99Å; V59-H63 HydrophobicContact CG2-CB 3.62Å; V59-H63 PolarHBondContact O-ND1 3.11Å; G60-H63 PolarHBondContact O-N 2.91Å; H63-R65 VanDerWaalsContact C-N 3.32Å; H63-R65 PolarHBondContact O-N 3.31Å; H63-L66 PolarHBondContact O-N 3.04Å; H63-L67 VanDerWaalsContact O-CG 3.31Å; H63-L67 WeakPolarHBondContact O-CG 3.44Å; H63-L67 PolarHBondContact O-N 3.27Å
64F84.2Confident79.3Confident85 Ų8569.4 Ų69.437%0.37332%0.324SS..Hα-helixtrans-60.3-43.4173.3-177.7-96.4000111.4L56 V59 G60 L67 V68L56-F64 HydrophobicContact CB-CD2 4.32Å; L56-F64 HydrophobicContact CB-CE2 4.18Å; L56-F64 HydrophobicContact CD2-CD2 4.49Å; L56-F64 WeakPolarHBondContact O-CD2 3.33Å; V59-F64 HydrophobicContact CG1-CB 4.13Å; G60-F64 VanDerWaalsContact O-CB 3.22Å; G60-F64 WeakPolarHBondContact O-CB 3.47Å; G60-F64 PolarHBondContact O-N 3.36Å; F64-L67 WeakPolarHBondContact O-CB 3.3Å; F64-L67 PolarHBondContact O-N 2.88Å; F64-V68 HydrophobicContact CD1-CG2 3.93Å; F64-V68 HydrophobicContact CE1-CG2 3.49Å; F64-V68 VanDerWaalsContact CE1-CG2 3.49Å; F64-V68 HydrophobicContact CE2-CG2 4.29Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 WeakPolarHBondContact O-CG2 3.28Å; F64-V68 PolarHBondContact O-N 3.33Å
65R78.1Confident77.2Confident168 Ų16871.1 Ų71.163%0.63434%0.339SS*.Hα-helixtrans-59.2-47.8174.5177.5177.6179.2172.11.8111.4K61 Q62 H63 L67 V68 D69K61-R65 VanDerWaalsContact O-CB 3.3Å; K61-R65 WeakPolarHBondContact O-CB 3.05Å; K61-R65 PolarHBondContact O-N 2.94Å; Q62-R65 WeakPolarHBondContact O-CB 3.41Å; Q62-R65 PolarHBondContact O-N 3.35Å; H63-R65 VanDerWaalsContact C-N 3.32Å; H63-R65 PolarHBondContact O-N 3.31Å; R65-L67 VanDerWaalsContact C-N 3.26Å; R65-L67 PolarHBondContact O-N 2.84Å; R65-V68 PolarHBondContact O-N 3.38Å; R65-V68 VanDerWaalsContact O-N 3.12Å; R65-D69 WeakPolarHBondContact CG-OD2 3.48Å; R65-D69 IonicContact NE-OD2 3.52Å; R65-D69 PolarHBondContact NE-OD2 2.97Å; R65-D69 VanDerWaalsContact NE-OD2 3.1Å; R65-D69 WeakPolarHBondContact O-CB 3.38Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.38Å
66L76.3Confident75Confident66 Ų6671.9 Ų71.935%0.34634%0.343SS..Hα-helixtrans-58-41.6176.1-173.7151.4000111.3Q62 H63 H70 F71 L137Q62-L66 PolarHBondContact O-N 3.43Å; H63-L66 PolarHBondContact O-N 3.04Å; L66-H70 WeakPolarHBondContact O-CB 3.36Å; L66-H70 PolarHBondContact O-CD2 3.07Å; L66-H70 VanDerWaalsContact O-CD2 3.27Å; L66-H70 PolarHBondContact O-N 3.31Å; L66-H70 VanDerWaalsContact O-N 3.13Å; L66-F71 HydrophobicContact CD2-CE2 3.88Å; L66-L137 HydrophobicContact CD1-CD1 4.1Å
67L78.1Confident73Confident44 Ų4476.5 Ų76.523%0.2336%0.364CS..Hα-helixtrans-62.6-42.8175.5-70.6170.2000112.3L56 V59 H63 F64 R65 F71 K72 P73 I76L56-L67 HydrophobicContact CD2-CD1 3.79Å; V59-L67 HydrophobicContact CG1-CD1 4.21Å; H63-L67 VanDerWaalsContact O-CG 3.31Å; H63-L67 WeakPolarHBondContact O-CG 3.44Å; H63-L67 PolarHBondContact O-N 3.27Å; F64-L67 WeakPolarHBondContact O-CB 3.3Å; F64-L67 PolarHBondContact O-N 2.88Å; R65-L67 VanDerWaalsContact C-N 3.26Å; R65-L67 PolarHBondContact O-N 2.84Å; L67-F71 HydrophobicContact CD2-CD2 4.03Å; L67-F71 CarbonylContact O-C 3.57Å; L67-F71 WeakPolarHBondContact O-CA 3.31Å; L67-F71 VanDerWaalsContact O-CB 3.31Å; L67-F71 WeakPolarHBondContact O-CB 3.28Å; L67-F71 PolarHBondContact O-N 2.91Å; L67-K72 PolarHBondContact O-N 3.29Å; L67-P73 HydrophobicContact CB-CG 4.36Å; L67-I76 HydrophobicContact CD2-CD1 4.35Å
68V72.7Confident71.1Confident56 Ų5679.6 Ų79.634%0.33937%0.374SS..Hα-helixtrans-67.7-50.5177.9173.70000112.4F64 R65 H70 K72 P73F64-V68 HydrophobicContact CD1-CG2 3.93Å; F64-V68 HydrophobicContact CE1-CG2 3.49Å; F64-V68 VanDerWaalsContact CE1-CG2 3.49Å; F64-V68 HydrophobicContact CE2-CG2 4.29Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 WeakPolarHBondContact O-CG2 3.28Å; F64-V68 PolarHBondContact O-N 3.33Å; R65-V68 PolarHBondContact O-N 3.38Å; R65-V68 VanDerWaalsContact O-N 3.12Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.26Å; V68-K72 PolarHBondContact O-N 2.99Å; V68-P73 HydrophobicContact CG2-CG 3.77Å
69D70.5Confident68.9Low61 Ų6179.8 Ų79.833%0.32638%0.38SS..Hα-helixtrans-65.5-35.8-173.3-70.1-8000111.1R65 S142 N143R65-D69 WeakPolarHBondContact CG-OD2 3.48Å; R65-D69 IonicContact NE-OD2 3.52Å; R65-D69 PolarHBondContact NE-OD2 2.97Å; R65-D69 VanDerWaalsContact NE-OD2 3.1Å; R65-D69 WeakPolarHBondContact O-CB 3.38Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.38Å; D69-S142 WeakPolarHBondContact O-CA 3.25Å; D69-N143 PolarHBondContact O-N 3.14Å
70H62.4Low66.6Low28 Ų2882.6 Ų82.613%0.1340%0.403CS..Hα-helixtrans-105-34.3-175.4-61.5-83.3000114.9L66 V68 L137 F140 N143L66-H70 WeakPolarHBondContact O-CB 3.36Å; L66-H70 PolarHBondContact O-CD2 3.07Å; L66-H70 VanDerWaalsContact O-CD2 3.27Å; L66-H70 PolarHBondContact O-N 3.31Å; L66-H70 VanDerWaalsContact O-N 3.13Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.26Å; H70-L137 VanDerWaalsContact CE1-CD2 3.44Å; H70-L137 WeakPolarHBondContact CE1-CD2 3.27Å; H70-F140 PolarHBondContact CE1-O 3.36Å; H70-F140 PolarHBondContact ND1-O 3.2Å; H70-N143 WeakPolarHBondContact O-CB 3.42Å
71F68.7Low64.1Low28 Ų2888.2 Ų88.212%0.12342%0.422CS..Hα-helixtrans-116.1-8.1-168.6-55.3-83.8000114.9L66 L67 I76 D121 I125L66-F71 HydrophobicContact CD2-CE2 3.88Å; L67-F71 HydrophobicContact CD2-CD2 4.03Å; L67-F71 CarbonylContact O-C 3.57Å; L67-F71 WeakPolarHBondContact O-CA 3.31Å; L67-F71 VanDerWaalsContact O-CB 3.31Å; L67-F71 WeakPolarHBondContact O-CB 3.28Å; L67-F71 PolarHBondContact O-N 2.91Å; F71-I76 HydrophobicContact CB-CD1 4.07Å; F71-D121 HydrophobicContact CD1-CB 3.84Å; F71-D121 HydrophobicContact CE1-CB 3.71Å; F71-I125 HydrophobicContact CD1-CD1 4.08Å; F71-I125 HydrophobicContact CE1-CD1 3.18Å; F71-I125 HydrophobicContact CE1-CG1 3.6Å; F71-I125 HydrophobicContact CZ-CD1 3.45Å; F71-I125 VanDerWaalsContact CZ-CD1 3.45Å; F71-I125 HydrophobicContact CZ-CG1 3.4Å; F71-I125 VanDerWaalsContact CZ-CG1 3.4Å
72K66.4Low61.8Low119 Ų11982.7 Ų82.752%0.51742%0.419SS..  trans46.285.7-177-70.1-174178.4173.60113.5L67 V68 R74 A75 N143L67-K72 PolarHBondContact O-N 3.29Å; V68-K72 PolarHBondContact O-N 2.99Å; K72-R74 PolarHBondContact O-N 3.28Å; K72-A75 WeakPolarHBondContact O-CB 3.21Å; K72-A75 PolarHBondContact O-N 3.44Å; K72-N143 VanDerWaalsContact CD-ND2 3.33Å; K72-N143 WeakPolarHBondContact CD-ND2 3.38Å; K72-N143 WeakPolarHBondContact CE-ND2 3.37Å; K72-N143 WeakPolarHBondContact CE-OD1 3.29Å
73P56.9Low60Low13 Ų1377.4 Ų77.48%0.08441%0.406CS..Hα-helixtrans-56.2-13.8-174-28.733000117.9L56 L67 V68 A75 I76 Q77L56-P73 HydrophobicContact CD1-CB 3.93Å; L56-P73 HydrophobicContact CD2-CB 4.27Å; L56-P73 HydrophobicContact CD2-CG 4.35Å; L67-P73 HydrophobicContact CB-CG 4.36Å; V68-P73 HydrophobicContact CG2-CG 3.77Å; P73-A75 PolarHBondContact O-N 3.44Å; P73-I76 HydrophobicContact CB-CB 4.36Å; P73-I76 HydrophobicContact CB-CD1 4.2Å; P73-I76 HydrophobicContact CG-CD1 4.19Å; P73-I76 CarbonylContact O-C 3.53Å; P73-I76 WeakPolarHBondContact O-CA 3.37Å; P73-I76 WeakPolarHBondContact O-CB 3.3Å; P73-I76 PolarHBondContact O-N 2.95Å; P73-Q77 PolarHBondContact O-N 3.46Å
74R52.1Low58.4Low218 Ų21878.7 Ų78.782%0.82342%0.419SS*.Hα-helixtrans-56.9-41.9166.3-75.5-173.2-173.6-148.31.9110.8K72 I76 Q77 D78K72-R74 PolarHBondContact O-N 3.28Å; R74-I76 VanDerWaalsContact C-N 3.34Å; R74-I76 PolarHBondContact O-N 3Å; R74-Q77 PolarHBondContact O-N 2.97Å; R74-D78 PolarHBondContact O-N 3.12Å
75A48.9Very low57.1Low46 Ų4686 Ų8638%0.3844%0.444SS..Hα-helixtrans-65.1-37170.600000111.7K72 P73 Q77 D78 V79K72-A75 WeakPolarHBondContact O-CB 3.21Å; K72-A75 PolarHBondContact O-N 3.44Å; P73-A75 PolarHBondContact O-N 3.44Å; A75-Q77 VanDerWaalsContact C-N 3.35Å; A75-Q77 PolarHBondContact O-N 2.93Å; A75-D78 CarbonylContact O-C 3.31Å; A75-D78 WeakPolarHBondContact O-CA 3.39Å; A75-D78 PolarHBondContact O-N 3.46Å; A75-V79 WeakPolarHBondContact O-CB 3.48Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.14Å
76I46.8Very low56.7Low46 Ų4683.3 Ų83.324%0.23644%0.44CS..Hα-helixtrans-64.7-37177.8-59.5175.2000111.8R52 L67 F71 P73 R74 D78 V79R52-I76 VanDerWaalsContact CD-O 3.3Å; R52-I76 WeakPolarHBondContact CD-O 3.33Å; R52-I76 PolarHBondContact NE-O 3.29Å; L67-I76 HydrophobicContact CD2-CD1 4.35Å; F71-I76 HydrophobicContact CB-CD1 4.07Å; P73-I76 HydrophobicContact CB-CB 4.36Å; P73-I76 HydrophobicContact CB-CD1 4.2Å; P73-I76 HydrophobicContact CG-CD1 4.19Å; P73-I76 CarbonylContact O-C 3.53Å; P73-I76 WeakPolarHBondContact O-CA 3.37Å; P73-I76 WeakPolarHBondContact O-CB 3.3Å; P73-I76 PolarHBondContact O-N 2.95Å; R74-I76 VanDerWaalsContact C-N 3.34Å; R74-I76 PolarHBondContact O-N 3Å; I76-D78 PolarHBondContact O-N 2.89Å; I76-V79 PolarHBondContact O-N 2.96Å
77Q47.1Very low57.1Low114 Ų11482.4 Ų82.453%0.53343%0.431SS..Hα-helixtrans-61.5-32.6172.3-69.6179.91100111.7R52 P73 R74 A75R52-Q77 PolarHBondContact NH1-O 3.34Å; P73-Q77 PolarHBondContact O-N 3.46Å; R74-Q77 PolarHBondContact O-N 2.97Å; A75-Q77 VanDerWaalsContact C-N 3.35Å; A75-Q77 PolarHBondContact O-N 2.93Å
78D51.2Low57.6Low139 Ų13985.1 Ų85.174%0.74344%0.442SS*.Hα-helixtrans-88.2-16.3177.9-59.9-33.6000113.8R74 A75 I76 A80R74-D78 PolarHBondContact O-N 3.12Å; A75-D78 CarbonylContact O-C 3.31Å; A75-D78 WeakPolarHBondContact O-CA 3.39Å; A75-D78 PolarHBondContact O-N 3.46Å; I76-D78 PolarHBondContact O-N 2.89Å; D78-A80 PolarHBondContact O-N 3.46Å
79V46.8Very low58.6Low52 Ų5283 Ų8332%0.31543%0.428SS..SBendtrans-83.5102.4-178.5175.10000108.8R52 A75 I76 Y81R52-V79 PolarHBondContact NE-O 3.42Å; R52-V79 VanDerWaalsContact NE-O 3.12Å; R52-V79 PolarHBondContact NH2-O 2.98Å; A75-V79 WeakPolarHBondContact O-CB 3.48Å; A75-V79 WeakPolarHBondContact O-CG2 3.49Å; A75-V79 PolarHBondContact O-N 3.14Å; I76-V79 PolarHBondContact O-N 2.96Å; V79-Y81 PolarHBondContact O-N 2.82Å; V79-Y81 VanDerWaalsContact O-N 3.16Å
80A44.1Very low59.7Low61 Ų6188.6 Ų88.650%0.50444%0.444SS..  trans-41.8121.3166.100000111.2D78 G82 G83D78-A80 PolarHBondContact O-N 3.46Å; A80-G82 PolarHBondContact O-N 2.81Å; A80-G83 PolarHBondContact O-N 3.41Å
81Y40.4Very low60.9Low130 Ų13096.2 Ų96.251%0.5148%0.477SS..THydrogen-bonded Turntrans-50.6-23.2180-147.2-97.8000112.5V79V79-Y81 PolarHBondContact O-N 2.82Å; V79-Y81 VanDerWaalsContact O-N 3.16Å
82G39.3Very low62Low77 Ų77101.7 Ų101.779%0.79451%0.508SS*.THydrogen-bonded Turntrans-100.98-177.200000117.3A80A80-G82 PolarHBondContact O-N 2.81Å
83G44.6Very low63.4Low41 Ų4197.2 Ų97.242%0.42349%0.488SS..SBendtrans-84.6-38-167.600000117.1A80A80-G83 PolarHBondContact O-N 3.41Å
84S50.6Low65.2Low61 Ų6198 Ų9843%0.42749%0.494SS..  trans-127.3107.4-176.9-64.20000108.5M86S84-M86 PolarHBondContact O-N 3.14Å
85R57.9Low67.3Low239 Ų23987.6 Ų87.690%0.90246%0.455SS*.  trans-55.2112.8165.6-75.2-177.7178.3-171.8-1.2107.2R87R85-R87 PolarHBondContact O-N 2.96Å; R85-R87 VanDerWaalsContact O-N 3.14Å
86M69.6Low69.6Low111 Ų11191.2 Ų91.255%0.54747%0.465SS..  trans-53.8124.3171.3-75.8168.488.900107.5S84 F88 I125S84-M86 PolarHBondContact O-N 3.14Å; M86-F88 HydrophobicContact CB-CE2 4.08Å; M86-F88 HydrophobicContact CB-CZ 4.42Å; M86-F88 HydrophobicContact CE-CZ 4.07Å; M86-I125 HydrophobicContact CE-CG2 3.42Å; M86-I125 VanDerWaalsContact CE-CG2 3.42Å
87R83.5Confident72Confident46 Ų4694.1 Ų94.117%0.17448%0.478CS..  trans-112.7127176.1177.2170.7170.2-104.3-4.4108.6R85 E93 F98 A101 L102 L105 Q122R85-R87 PolarHBondContact O-N 2.96Å; R85-R87 VanDerWaalsContact O-N 3.14Å; R87-E93 IonicContact CZ-OE1 3.8Å; R87-E93 VanDerWaalsContact NH2-CD 3.31Å; R87-E93 IonicContact NH2-OE1 2.6Å; R87-E93 PolarHBondContact NH2-OE1 3.19Å; R87-E93 IonicContact NH2-OE2 3.04Å; R87-E93 PolarHBondContact NH2-OE2 3.27Å; R87-F98 HydrophobicContact CG-CE2 4.14Å; R87-F98 PolarHBondContact NH1-O 3.25Å; R87-F98 WeakPolarHBondContact O-CE2 3.46Å; R87-A101 VanDerWaalsContact NH1-C 3.3Å; R87-L102 HydrophobicContact CB-CD2 3.75Å; R87-L102 HydrophobicContact CG-CD2 4.18Å; R87-L102 VanDerWaalsContact NH1-N 3.12Å; R87-L105 HydrophobicContact CB-CD1 4.22Å; R87-L105 HydrophobicContact CG-CD1 4.48Å; R87-Q122 PolarHBondContact O-NE2 2.6Å
88F89.5Confident74.3Confident102 Ų10288.7 Ų88.745%0.44745%0.452SS..PPolyproline II helixtrans-100.6136.5176.1-63.3-86.5000109.6M86 G126 N128M86-F88 HydrophobicContact CB-CE2 4.08Å; M86-F88 HydrophobicContact CB-CZ 4.42Å; M86-F88 HydrophobicContact CE-CZ 4.07Å; F88-G126 CarbonylContact C-O 3.51Å; F88-G126 WeakPolarHBondContact CA-O 3.35Å; F88-N128 HydrophobicContact CB-CB 4.21Å
89R94.6Very high76.4Confident12 Ų1282.2 Ų82.25%0.04542%0.418CS..PPolyproline II helixtrans-56.9136.5170.6-176.4-177.979.186.3-7.7109K91 E93 F98 G126 I127 N128R89-K91 PolarHBondContact NH1-O 2.78Å; R89-E93 WeakPolarHBondContact CD-O 3.45Å; R89-E93 HydrophobicContact CG-CB 4.31Å; R89-E93 HydrophobicContact CG-CG 4.34Å; R89-E93 PolarHBondContact NH1-O 3Å; R89-F98 HydrophobicContact CB-CB 4.08Å; R89-F98 HydrophobicContact CB-CD1 3.87Å; R89-F98 HydrophobicContact CB-CD2 3.8Å; R89-F98 HydrophobicContact CB-CE1 4.2Å; R89-F98 HydrophobicContact CB-CE2 4.19Å; R89-F98 HydrophobicContact CB-CG 3.65Å; R89-F98 HydrophobicContact CB-CZ 4.38Å; R89-F98 HydrophobicContact CG-CB 3.82Å; R89-F98 HydrophobicContact CG-CD1 4.32Å; R89-F98 HydrophobicContact CG-CD2 4.45Å; R89-F98 HydrophobicContact CG-CG 3.97Å; R89-G126 PolarHBondContact N-O 2.72Å; R89-I127 PolarHBondContact NE-O 3.07Å; R89-N128 HydrophobicContact CB-CB 4.3Å; R89-N128 WeakPolarHBondContact O-CB 3.4Å; R89-N128 PolarHBondContact O-ND2 2.97Å
90R91.8Very high78.6Confident177 Ų17783.6 Ų83.667%0.66842%0.423SS*.PPolyproline II helixtrans-80.4149.9171.9-59178.5-179.7174.5-3110.2N92 E93R90-N92 WeakPolarHBondContact CB-OD1 3.35Å; R90-N92 PolarHBondContact O-N 3.42Å; R90-N92 VanDerWaalsContact O-N 3.16Å; R90-E93 HydrophobicContact CB-CB 3.82Å; R90-E93 PolarHBondContact N-OE2 3.07Å; R90-E93 WeakPolarHBondContact O-CB 3.44Å; R90-E93 PolarHBondContact O-N 3.02Å
91K89Confident80.9Confident189 Ų18982.5 Ų82.582%0.82242%0.415SS*.THydrogen-bonded Turntrans-53.6-39.6179.9-72.7-170.5176.2-174.70113R89 E93R89-K91 PolarHBondContact NH1-O 2.78Å; K91-E93 VanDerWaalsContact C-N 3.34Å
92N91.4Very high83.3Confident143 Ų14376.8 Ų76.877%0.76539%0.393SS*.THydrogen-bonded Turntrans-90.310.7178.967.6-38.1000114.3R90R90-N92 WeakPolarHBondContact CB-OD1 3.35Å; R90-N92 PolarHBondContact O-N 3.42Å; R90-N92 VanDerWaalsContact O-N 3.16Å
93E94.8Very high85.7Confident25 Ų2577.7 Ų77.712%0.11737%0.373CS..SBendtrans-105.8129.6179.1171.6177-138.800109.8R87 R89 R90 K91 Q97 F98R87-E93 IonicContact CZ-OE1 3.8Å; R87-E93 VanDerWaalsContact NH2-CD 3.31Å; R87-E93 IonicContact NH2-OE1 2.6Å; R87-E93 PolarHBondContact NH2-OE1 3.19Å; R87-E93 IonicContact NH2-OE2 3.04Å; R87-E93 PolarHBondContact NH2-OE2 3.27Å; R89-E93 WeakPolarHBondContact CD-O 3.45Å; R89-E93 HydrophobicContact CG-CB 4.31Å; R89-E93 HydrophobicContact CG-CG 4.34Å; R89-E93 PolarHBondContact NH1-O 3Å; R90-E93 HydrophobicContact CB-CB 3.82Å; R90-E93 PolarHBondContact N-OE2 3.07Å; R90-E93 WeakPolarHBondContact O-CB 3.44Å; R90-E93 PolarHBondContact O-N 3.02Å; K91-E93 VanDerWaalsContact C-N 3.34Å; E93-Q97 HydrophobicContact CG-CB 3.71Å; E93-F98 HydrophobicContact CG-CB 4.17Å; E93-F98 WeakPolarHBondContact OE1-CA 3.31Å; E93-F98 PolarHBondContact OE1-N 2.88Å
94S96.2Very high87.8Confident28 Ų2878.2 Ų78.220%0.19638%0.377CS..  trans-67.3155.8176.561.20000112.7M96 Q97 F98 E158S94-M96 PolarHBondContact O-N 3.4Å; S94-Q97 PolarHBondContact O-N 3.13Å; S94-Q97 VanDerWaalsContact O-N 3.14Å; S94-Q97 WeakPolarHBondContact OG-CB 3.18Å; S94-Q97 VanDerWaalsContact OG-CD 3.23Å; S94-Q97 WeakPolarHBondContact OG-CG 3.34Å; S94-Q97 PolarHBondContact OG-N 2.8Å; S94-Q97 PolarHBondContact OG-OE1 3.1Å; S94-F98 WeakPolarHBondContact O-CB 3.33Å; S94-F98 PolarHBondContact O-N 3.35Å; S94-E158 WeakPolarHBondContact CA-OE1 3.42Å; S94-E158 WeakPolarHBondContact CB-OE1 3.2Å
95V96.6Very high89.4Confident1 Ų180 Ų801%0.00638%0.382CS..Hα-helixtrans-53.1-44.2173.2173.30000110.5Q97 F98 V99 I127 W132 A154 E158V95-Q97 PolarHBondContact O-N 3.12Å; V95-F98 WeakPolarHBondContact O-CB 2.94Å; V95-F98 PolarHBondContact O-N 3.03Å; V95-V99 HydrophobicContact CG1-CG2 4.22Å; V95-V99 WeakPolarHBondContact O-CG2 3.31Å; V95-V99 PolarHBondContact O-N 3.45Å; V95-I127 HydrophobicContact CG2-CD1 4.11Å; V95-W132 HydrophobicContact CG2-CZ3 3.83Å; V95-A154 HydrophobicContact CG1-CB 3.65Å; V95-A154 HydrophobicContact CG2-CB 4.19Å; V95-E158 HydrophobicContact CG2-CB 3.9Å; V95-E158 HydrophobicContact CG2-CG 4.46Å; V95-E158 PolarHBondContact N-OE1 3.29Å
96M96.3Very high90.7Very high122 Ų12269 Ų6960%0.60134%0.342SS*.Hα-helixtrans-61.6-45.5178.3179.7178.555.700112.6S94 F98 V99 N100S94-M96 PolarHBondContact O-N 3.4Å; M96-F98 VanDerWaalsContact C-N 3.32Å; M96-F98 PolarHBondContact O-N 3.22Å; M96-V99 PolarHBondContact O-N 2.89Å; M96-N100 WeakPolarHBondContact O-CB 3.37Å; M96-N100 VanDerWaalsContact O-CG 3.27Å; M96-N100 PolarHBondContact O-N 3.41Å; M96-N100 PolarHBondContact O-ND2 2.88Å
97Q96.9Very high91Very high106 Ų10667 Ų6750%0.49535%0.35SS..Hα-helixtrans-62.7-42.3176.7-76.1165-30.400111.3E93 S94 V95 N100 A101E93-Q97 HydrophobicContact CG-CB 3.71Å; S94-Q97 PolarHBondContact O-N 3.13Å; S94-Q97 VanDerWaalsContact O-N 3.14Å; S94-Q97 WeakPolarHBondContact OG-CB 3.18Å; S94-Q97 VanDerWaalsContact OG-CD 3.23Å; S94-Q97 WeakPolarHBondContact OG-CG 3.34Å; S94-Q97 PolarHBondContact OG-N 2.8Å; S94-Q97 PolarHBondContact OG-OE1 3.1Å; V95-Q97 PolarHBondContact O-N 3.12Å; Q97-N100 PolarHBondContact O-N 3.42Å; Q97-A101 PolarHBondContact O-N 3.23Å
98F96Very high90.6Very high0 Ų074.2 Ų74.20%038%0.382CS..Hα-helixtrans-60.1-53.6176171.6-124.4000111.4R87 R89 E93 S94 V95 M96 N100 A101 L102 V123 G126R87-F98 HydrophobicContact CG-CE2 4.14Å; R87-F98 PolarHBondContact NH1-O 3.25Å; R87-F98 WeakPolarHBondContact O-CE2 3.46Å; R89-F98 HydrophobicContact CB-CB 4.08Å; R89-F98 HydrophobicContact CB-CD1 3.87Å; R89-F98 HydrophobicContact CB-CD2 3.8Å; R89-F98 HydrophobicContact CB-CE1 4.2Å; R89-F98 HydrophobicContact CB-CE2 4.19Å; R89-F98 HydrophobicContact CB-CG 3.65Å; R89-F98 HydrophobicContact CB-CZ 4.38Å; R89-F98 HydrophobicContact CG-CB 3.82Å; R89-F98 HydrophobicContact CG-CD1 4.32Å; R89-F98 HydrophobicContact CG-CD2 4.45Å; R89-F98 HydrophobicContact CG-CG 3.97Å; E93-F98 HydrophobicContact CG-CB 4.17Å; E93-F98 WeakPolarHBondContact OE1-CA 3.31Å; E93-F98 PolarHBondContact OE1-N 2.88Å; S94-F98 WeakPolarHBondContact O-CB 3.33Å; S94-F98 PolarHBondContact O-N 3.35Å; V95-F98 WeakPolarHBondContact O-CB 2.94Å; V95-F98 PolarHBondContact O-N 3.03Å; M96-F98 VanDerWaalsContact C-N 3.32Å; M96-F98 PolarHBondContact O-N 3.22Å; F98-N100 VanDerWaalsContact C-N 3.31Å; F98-N100 PolarHBondContact O-N 2.85Å; F98-A101 PolarHBondContact O-N 3.5Å; F98-L102 HydrophobicContact CD1-CD1 4.5Å; F98-L102 HydrophobicContact CD2-CG 4.29Å; F98-L102 HydrophobicContact CE1-CD1 3.97Å; F98-L102 HydrophobicContact CE2-CD1 3.94Å; F98-L102 HydrophobicContact CE2-CD2 3.95Å; F98-L102 HydrophobicContact CE2-CG 3.9Å; F98-L102 HydrophobicContact CZ-CD1 3.64Å; F98-L102 HydrophobicContact CZ-CD2 4.32Å; F98-L102 HydrophobicContact CZ-CG 4.14Å; F98-L102 WeakPolarHBondContact O-CG 3.46Å; F98-L102 PolarHBondContact O-N 3.01Å; F98-V123 HydrophobicContact CE1-CG2 4.4Å; F98-G126 WeakPolarHBondContact CZ-O 3.37Å
99V94.4Very high89.8Confident4 Ų471.9 Ų71.92%0.02438%0.378CS..Hα-helixtrans-58.2-44.1178.3174.10000111.3V95 M96 A101 L102 R103 V123 E151V95-V99 HydrophobicContact CG1-CG2 4.22Å; V95-V99 WeakPolarHBondContact O-CG2 3.31Å; V95-V99 PolarHBondContact O-N 3.45Å; M96-V99 PolarHBondContact O-N 2.89Å; V99-A101 PolarHBondContact O-N 2.79Å; V99-L102 WeakPolarHBondContact O-CB 3.41Å; V99-L102 PolarHBondContact O-N 3.05Å; V99-L102 VanDerWaalsContact O-N 3.12Å; V99-R103 WeakPolarHBondContact O-CG 3.38Å; V99-R103 PolarHBondContact O-N 2.84Å; V99-V123 HydrophobicContact CG2-CG2 3.85Å; V99-E151 HydrophobicContact CG1-CG 4.03Å; V99-E151 WeakPolarHBondContact CG1-OE1 3.23Å; V99-E151 HydrophobicContact CG2-CG 3.87Å
100N93.6Very high88.8Confident80 Ų8079.7 Ų79.743%0.42842%0.421SS..Hα-helixtrans-63.4-39.7-179.7-76.3-19.3000112.9M96 Q97 F98 L102 R103 G104M96-N100 WeakPolarHBondContact O-CB 3.37Å; M96-N100 VanDerWaalsContact O-CG 3.27Å; M96-N100 PolarHBondContact O-N 3.41Å; M96-N100 PolarHBondContact O-ND2 2.88Å; Q97-N100 PolarHBondContact O-N 3.42Å; F98-N100 VanDerWaalsContact C-N 3.31Å; F98-N100 PolarHBondContact O-N 2.85Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-R103 WeakPolarHBondContact O-CB 3.48Å; N100-R103 PolarHBondContact O-N 3.12Å; N100-R103 PolarHBondContact OD1-NH1 2.89Å; N100-G104 PolarHBondContact O-N 3.32Å
101A92.2Very high88Confident39 Ų3972.8 Ų72.832%0.32240%0.396SS..Hα-helixtrans-74.2-24.4175.500000112.7R87 Q97 F98 V99 G104 L105R87-A101 VanDerWaalsContact NH1-C 3.3Å; Q97-A101 PolarHBondContact O-N 3.23Å; F98-A101 PolarHBondContact O-N 3.5Å; V99-A101 PolarHBondContact O-N 2.79Å; A101-G104 PolarHBondContact O-N 3.46Å; A101-L105 WeakPolarHBondContact O-CG 3.42Å; A101-L105 PolarHBondContact O-N 2.9Å
102L90.6Very high87.6Confident10 Ų1066.8 Ų66.85%0.05239%0.387CS..Hα-helixtrans-65-46.6166.6-68.3-179.9000111.1R87 F98 V99 N100 G104 L105 A106 L119 Q122 V123R87-L102 HydrophobicContact CB-CD2 3.75Å; R87-L102 HydrophobicContact CG-CD2 4.18Å; R87-L102 VanDerWaalsContact NH1-N 3.12Å; F98-L102 HydrophobicContact CD1-CD1 4.5Å; F98-L102 HydrophobicContact CD2-CG 4.29Å; F98-L102 HydrophobicContact CE1-CD1 3.97Å; F98-L102 HydrophobicContact CE2-CD1 3.94Å; F98-L102 HydrophobicContact CE2-CD2 3.95Å; F98-L102 HydrophobicContact CE2-CG 3.9Å; F98-L102 HydrophobicContact CZ-CD1 3.64Å; F98-L102 HydrophobicContact CZ-CD2 4.32Å; F98-L102 HydrophobicContact CZ-CG 4.14Å; F98-L102 WeakPolarHBondContact O-CG 3.46Å; F98-L102 PolarHBondContact O-N 3.01Å; V99-L102 WeakPolarHBondContact O-CB 3.41Å; V99-L102 PolarHBondContact O-N 3.05Å; V99-L102 VanDerWaalsContact O-N 3.12Å; N100-L102 VanDerWaalsContact C-N 3.34Å; L102-G104 VanDerWaalsContact C-N 3.28Å; L102-G104 PolarHBondContact O-N 3.04Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.04Å; L102-L119 HydrophobicContact CB-CD2 3.63Å; L102-Q122 HydrophobicContact CD1-CB 4.06Å; L102-Q122 HydrophobicContact CD1-CG 3.73Å; L102-Q122 HydrophobicContact CD2-CG 3.49Å; L102-Q122 VanDerWaalsContact CD2-CG 3.49Å; L102-Q122 HydrophobicContact CG-CG 4.25Å; L102-V123 HydrophobicContact CD1-CG2 3.91Å
103R90.1Very high87.1Confident96 Ų9668 Ų6836%0.36239%0.394SS..Hα-helixtrans-57.6-42174.1-67.9173.9-178137.9-3.7111.5V99 N100 A106 G107 L119 E151V99-R103 WeakPolarHBondContact O-CG 3.38Å; V99-R103 PolarHBondContact O-N 2.84Å; N100-R103 WeakPolarHBondContact O-CB 3.48Å; N100-R103 PolarHBondContact O-N 3.12Å; N100-R103 PolarHBondContact OD1-NH1 2.89Å; R103-A106 PolarHBondContact O-N 3.16Å; R103-G107 PolarHBondContact O-N 3.28Å; R103-L119 HydrophobicContact CG-CD1 3.8Å; R103-E151 IonicContact CZ-OE1 3.49Å; R103-E151 IonicContact CZ-OE2 3.71Å; R103-E151 IonicContact NE-OE1 3.98Å; R103-E151 IonicContact NH2-OE1 2.64Å; R103-E151 PolarHBondContact NH2-OE1 3.18Å; R103-E151 IonicContact NH2-OE2 2.68Å; R103-E151 PolarHBondContact NH2-OE2 3.01Å
104G88Confident86.5Confident51 Ų5168.4 Ų68.453%0.52640%0.401SS..Hα-helixtrans-63.4-40.1176.400000113.8N100 A101 L102N100-G104 PolarHBondContact O-N 3.32Å; A101-G104 PolarHBondContact O-N 3.46Å; L102-G104 VanDerWaalsContact C-N 3.28Å; L102-G104 PolarHBondContact O-N 3.04Å
105L84.4Confident86Confident99 Ų9970 Ų7052%0.51841%0.407SS..Hα-helixtrans-66.7-39.8173.4-72.1173.5000111.7R87 A101 L102 G107R87-L105 HydrophobicContact CB-CD1 4.22Å; R87-L105 HydrophobicContact CG-CD1 4.48Å; A101-L105 WeakPolarHBondContact O-CG 3.42Å; A101-L105 PolarHBondContact O-N 2.9Å; L102-L105 PolarHBondContact O-N 3.02Å; L105-G107 VanDerWaalsContact C-N 3.32Å; L105-G107 PolarHBondContact O-N 3.45Å
106A84.3Confident85.7Confident9 Ų973.2 Ų73.27%0.07443%0.43CS..Hα-helixtrans-72.4-23.1-179.600000113.7L102 R103 K108 C109 F111 L115 L119L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.04Å; R103-A106 PolarHBondContact O-N 3.16Å; A106-K108 PolarHBondContact O-N 3.34Å; A106-C109 WeakPolarHBondContact O-CB 3.47Å; A106-C109 PolarHBondContact O-N 2.94Å; A106-F111 HydrophobicContact CB-CD2 3.98Å; A106-F111 HydrophobicContact CB-CE2 3.68Å; A106-L115 HydrophobicContact CB-CD1 3.49Å; A106-L115 VanDerWaalsContact CB-CD1 3.49Å; A106-L119 HydrophobicContact CB-CD2 4.21Å
107G77.5Confident85.3Confident68 Ų6872.4 Ų72.470%0.70142%0.424SS*.THydrogen-bonded Turntrans-62.2-1318000000115R103 L105R103-G107 PolarHBondContact O-N 3.28Å; L105-G107 VanDerWaalsContact C-N 3.32Å; L105-G107 PolarHBondContact O-N 3.45Å
108K73.6Confident84.7Confident198 Ų19871.2 Ų71.286%0.86142%0.415SS*.THydrogen-bonded Turntrans-98.15.3174.9-62.3-176.3179.6-178.10113.4A106A106-K108 PolarHBondContact O-N 3.34Å
109C72.6Confident84.4Confident52 Ų5272 Ų7235%0.35142%0.419SS..SBendtrans-121.3137.9-171.4-600000111.8A106 F111A106-C109 WeakPolarHBondContact O-CB 3.47Å; A106-C109 PolarHBondContact O-N 2.94Å; C109-F111 VanDerWaalsContact C-N 3.3Å; C109-F111 HydrophobicContact CB-CD1 4.06Å; C109-F111 HydrophobicContact CB-CD2 3.69Å; C109-F111 HydrophobicContact CB-CE1 3.64Å; C109-F111 HydrophobicContact CB-CE2 3.3Å; C109-F111 HydrophobicContact CB-CG 4.09Å; C109-F111 HydrophobicContact CB-CZ 3.27Å; C109-F111 PolarHBondContact O-N 3.2Å
110D74.8Confident84.3Confident176 Ų17672.4 Ų72.494%0.94142%0.42SS*.  trans-80.274.4174.3-71.7-31.6000111.2
111F75.7Confident84Confident33 Ų3370 Ų7015%0.14541%0.408CS..  trans-87.9-14.9176.4-62.4-42000113.9A106 C109 N113 A114 L115A106-F111 HydrophobicContact CB-CD2 3.98Å; A106-F111 HydrophobicContact CB-CE2 3.68Å; C109-F111 VanDerWaalsContact C-N 3.3Å; C109-F111 HydrophobicContact CB-CD1 4.06Å; C109-F111 HydrophobicContact CB-CD2 3.69Å; C109-F111 HydrophobicContact CB-CE1 3.64Å; C109-F111 HydrophobicContact CB-CE2 3.3Å; C109-F111 HydrophobicContact CB-CG 4.09Å; C109-F111 HydrophobicContact CB-CZ 3.27Å; C109-F111 PolarHBondContact O-N 3.2Å; F111-N113 PolarHBondContact O-N 3.38Å; F111-A114 PolarHBondContact O-N 2.86Å; F111-A114 VanDerWaalsContact O-N 3.07Å; F111-L115 HydrophobicContact CB-CB 3.92Å; F111-L115 HydrophobicContact CB-CD1 4.38Å; F111-L115 HydrophobicContact CD2-CD1 3.65Å; F111-L115 HydrophobicContact CE2-CD1 4.46Å; F111-L115 HydrophobicContact CG-CD1 4.48Å
112G79.8Confident83.9Confident62 Ų6269.4 Ų69.464%0.63940%0.398SS*.G310 helixtrans49.3-130.6-17700000112.1A114 L115G112-A114 PolarHBondContact O-N 3.35Å; G112-L115 PolarHBondContact O-N 3.39Å
113N80.3Confident84Confident170 Ų17069 Ų6991%0.90940%0.396SS*.G310 helixtrans-71.1-14-177.1-61.5-18.8000114.1F111F111-N113 PolarHBondContact O-N 3.38Å
114A83Confident84.1Confident33 Ų3365.1 Ų65.127%0.27338%0.383SS..G310 helixtrans-87.5-3.3-179.900000113.3F111 G112 S116 E117 R118F111-A114 PolarHBondContact O-N 2.86Å; F111-A114 VanDerWaalsContact O-N 3.07Å; G112-A114 PolarHBondContact O-N 3.35Å; A114-S116 PolarHBondContact O-N 3.4Å; A114-E117 PolarHBondContact O-N 2.84Å; A114-R118 WeakPolarHBondContact O-CG 3.49Å; A114-R118 PolarHBondContact O-N 3.19Å
115L85.9Confident84.1Confident62 Ų6265 Ų6533%0.32537%0.37SS..Hα-helixtrans-53.6-51-178.7172.863000111.9A106 F111 G112 E117 R118 L119A106-L115 HydrophobicContact CB-CD1 3.49Å; A106-L115 VanDerWaalsContact CB-CD1 3.49Å; F111-L115 HydrophobicContact CB-CB 3.92Å; F111-L115 HydrophobicContact CB-CD1 4.38Å; F111-L115 HydrophobicContact CD2-CD1 3.65Å; F111-L115 HydrophobicContact CE2-CD1 4.46Å; F111-L115 HydrophobicContact CG-CD1 4.48Å; G112-L115 PolarHBondContact O-N 3.39Å; L115-E117 PolarHBondContact O-N 2.65Å; L115-R118 PolarHBondContact O-N 2.8Å; L115-L119 HydrophobicContact CD1-CD1 3.83Å; L115-L119 HydrophobicContact CD1-CG 3.97Å; L115-L119 HydrophobicContact CG-CD1 4.01Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 WeakPolarHBondContact O-CB 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 3.22Å
116S89.2Confident84.4Confident68 Ų6860.3 Ų60.348%0.47635%0.345SS..Hα-helixtrans-64.1-40.3-176.7-59.10000112.1A114 R120A114-S116 PolarHBondContact O-N 3.4Å; S116-R120 VanDerWaalsContact O-CB 3.31Å; S116-R120 WeakPolarHBondContact O-CB 3.22Å; S116-R120 PolarHBondContact O-N 3.3Å
117E87.8Confident84.9Confident104 Ų10459.9 Ų59.949%0.48634%0.341SS..Hα-helixtrans-64.8-43.7176.6-61.6-176.2147.500111.1A114 L115 R120 D121A114-E117 PolarHBondContact O-N 2.84Å; L115-E117 PolarHBondContact O-N 2.65Å; E117-R120 WeakPolarHBondContact O-CB 3.31Å; E117-R120 PolarHBondContact O-N 3.25Å; E117-D121 WeakPolarHBondContact O-CB 3.45Å; E117-D121 PolarHBondContact O-N 3.37Å
118R85Confident85.5Confident82 Ų8260.5 Ų60.531%0.30933%0.329SS..Hα-helixtrans-64.9-43.3177.6-72.4-176.2179.1-153.1-0.4112.7A114 L115 R120 D121 Q122A114-R118 WeakPolarHBondContact O-CG 3.49Å; A114-R118 PolarHBondContact O-N 3.19Å; L115-R118 PolarHBondContact O-N 2.8Å; R118-R120 VanDerWaalsContact C-N 3.3Å; R118-D121 PolarHBondContact O-N 3.08Å; R118-Q122 VanDerWaalsContact O-CB 3.27Å; R118-Q122 WeakPolarHBondContact O-CB 3.46Å; R118-Q122 PolarHBondContact O-N 3.15Å
119L89.9Confident86.4Confident15 Ų1552.4 Ų52.48%0.07930%0.295CS..Hα-helixtrans-62.4-41.6175.7-72.6176.8000110.7L102 R103 A106 L115 D121 Q122 V123 L147L102-L119 HydrophobicContact CB-CD2 3.63Å; R103-L119 HydrophobicContact CG-CD1 3.8Å; A106-L119 HydrophobicContact CB-CD2 4.21Å; L115-L119 HydrophobicContact CD1-CD1 3.83Å; L115-L119 HydrophobicContact CD1-CG 3.97Å; L115-L119 HydrophobicContact CG-CD1 4.01Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 WeakPolarHBondContact O-CB 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 3.22Å; L119-D121 PolarHBondContact O-N 3.41Å; L119-Q122 PolarHBondContact O-N 3.41Å; L119-V123 VanDerWaalsContact O-CG2 3.29Å; L119-V123 WeakPolarHBondContact O-CG2 3.38Å; L119-V123 PolarHBondContact O-N 2.99Å; L119-L147 HydrophobicContact CB-CD1 3.81Å; L119-L147 HydrophobicContact CB-CD2 3.81Å; L119-L147 HydrophobicContact CB-CG 4.45Å; L119-L147 HydrophobicContact CD1-CD2 3.85Å
120R91.6Very high87.2Confident14 Ų1454.8 Ų54.85%0.05331%0.308CS..Hα-helixtrans-59.6-50.2178.5177.2-155.465.2-152.1-7.6110.4S116 E117 R118 Q122 V123 V124 N143 A145 L147 V150S116-R120 VanDerWaalsContact O-CB 3.31Å; S116-R120 WeakPolarHBondContact O-CB 3.22Å; S116-R120 PolarHBondContact O-N 3.3Å; E117-R120 WeakPolarHBondContact O-CB 3.31Å; E117-R120 PolarHBondContact O-N 3.25Å; R118-R120 VanDerWaalsContact C-N 3.3Å; R120-Q122 VanDerWaalsContact C-N 3.3Å; R120-Q122 PolarHBondContact O-N 3.04Å; R120-V123 WeakPolarHBondContact O-CB 3.3Å; R120-V123 PolarHBondContact O-N 2.67Å; R120-V123 VanDerWaalsContact O-N 3.12Å; R120-V124 PolarHBondContact O-N 3.07Å; R120-V124 VanDerWaalsContact O-N 3.14Å; R120-N143 PolarHBondContact NH1-O 3.16Å; R120-A145 WeakPolarHBondContact CD-O 3.18Å; R120-A145 PolarHBondContact NH1-O 3.46Å; R120-A145 VanDerWaalsContact NH1-O 3.11Å; R120-L147 HydrophobicContact CB-CB 4.29Å; R120-L147 HydrophobicContact CB-CD1 4.13Å; R120-V150 HydrophobicContact CG-CB 4.04Å; R120-V150 HydrophobicContact CG-CG1 4.41Å; R120-V150 HydrophobicContact CG-CG2 3.56Å
121D88.6Confident88.1Confident29 Ų2952.3 Ų52.316%0.15530%0.295CS..Hα-helixtrans-62.7-41-179.6-70.1-3.6000111.1F71 E117 R118 L119 V123 V124 I125F71-D121 HydrophobicContact CD1-CB 3.84Å; F71-D121 HydrophobicContact CE1-CB 3.71Å; E117-D121 WeakPolarHBondContact O-CB 3.45Å; E117-D121 PolarHBondContact O-N 3.37Å; R118-D121 PolarHBondContact O-N 3.08Å; L119-D121 PolarHBondContact O-N 3.41Å; D121-V123 VanDerWaalsContact C-N 3.31Å; D121-V123 PolarHBondContact O-N 3.47Å; D121-V124 PolarHBondContact O-N 3.4Å; D121-I125 WeakPolarHBondContact O-CG1 3.46Å; D121-I125 PolarHBondContact O-N 2.89Å
122Q89.2Confident89.1Confident27 Ų2751.4 Ų51.413%0.12629%0.29CS..Hα-helixtrans-67.5-29.9175.8-170.1594200112.8R87 L102 R118 L119 R120 G126R87-Q122 PolarHBondContact O-NE2 2.6Å; L102-Q122 HydrophobicContact CD1-CB 4.06Å; L102-Q122 HydrophobicContact CD1-CG 3.73Å; L102-Q122 HydrophobicContact CD2-CG 3.49Å; L102-Q122 VanDerWaalsContact CD2-CG 3.49Å; L102-Q122 HydrophobicContact CG-CG 4.25Å; R118-Q122 VanDerWaalsContact O-CB 3.27Å; R118-Q122 WeakPolarHBondContact O-CB 3.46Å; R118-Q122 PolarHBondContact O-N 3.15Å; L119-Q122 PolarHBondContact O-N 3.41Å; R120-Q122 VanDerWaalsContact C-N 3.3Å; R120-Q122 PolarHBondContact O-N 3.04Å; Q122-G126 WeakPolarHBondContact O-CA 3.46Å; Q122-G126 PolarHBondContact O-N 3.42Å
123V93Very high89.7Confident1 Ų151 Ų511%0.00627%0.272CS..Hα-helixtrans-65.6-49.2172.3170.50000110F98 V99 L102 L119 R120 D121 I127 L147 V150 A154F98-V123 HydrophobicContact CE1-CG2 4.4Å; V99-V123 HydrophobicContact CG2-CG2 3.85Å; L102-V123 HydrophobicContact CD1-CG2 3.91Å; L119-V123 VanDerWaalsContact O-CG2 3.29Å; L119-V123 WeakPolarHBondContact O-CG2 3.38Å; L119-V123 PolarHBondContact O-N 2.99Å; R120-V123 WeakPolarHBondContact O-CB 3.3Å; R120-V123 PolarHBondContact O-N 2.67Å; R120-V123 VanDerWaalsContact O-N 3.12Å; D121-V123 VanDerWaalsContact C-N 3.31Å; D121-V123 PolarHBondContact O-N 3.47Å; V123-I127 VanDerWaalsContact O-CB 3.3Å; V123-I127 WeakPolarHBondContact O-CB 3.42Å; V123-I127 PolarHBondContact O-N 2.95Å; V123-L147 HydrophobicContact CG2-CD1 4.44Å; V123-V150 HydrophobicContact CB-CG1 4.23Å; V123-V150 HydrophobicContact CG1-CG1 3.81Å; V123-A154 HydrophobicContact CG1-CB 4.45Å
124V92.4Very high90.2Very high15 Ų1548.2 Ų48.29%0.09125%0.253CS..Hα-helixtrans-64-46.6-179.3-179.60000111.8R120 D121 Q133 L137 V150R120-V124 PolarHBondContact O-N 3.07Å; R120-V124 VanDerWaalsContact O-N 3.14Å; D121-V124 PolarHBondContact O-N 3.4Å; V124-Q133 PolarHBondContact O-NE2 3.45Å; V124-L137 HydrophobicContact CG1-CD2 3.71Å; V124-L137 HydrophobicContact CG1-CG 4.09Å; V124-V150 HydrophobicContact CG2-CG1 3.75Å
125I87.7Confident90.7Very high48 Ų4849 Ų4925%0.24625%0.251CS..Hα-helixtrans-70.7-42.8179.8-61.2164000110.9F71 M86 D121 Q133F71-I125 HydrophobicContact CD1-CD1 4.08Å; F71-I125 HydrophobicContact CE1-CD1 3.18Å; F71-I125 HydrophobicContact CE1-CG1 3.6Å; F71-I125 HydrophobicContact CZ-CD1 3.45Å; F71-I125 VanDerWaalsContact CZ-CD1 3.45Å; F71-I125 HydrophobicContact CZ-CG1 3.4Å; F71-I125 VanDerWaalsContact CZ-CG1 3.4Å; M86-I125 HydrophobicContact CE-CG2 3.42Å; M86-I125 VanDerWaalsContact CE-CG2 3.42Å; D121-I125 WeakPolarHBondContact O-CG1 3.46Å; D121-I125 PolarHBondContact O-N 2.89Å; I125-Q133 PolarHBondContact O-NE2 2.98Å
126G90.7Very high91.1Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-88.1-0.6-171.200000114.9F88 R89 F98 Q122 N128F88-G126 CarbonylContact C-O 3.51Å; F88-G126 WeakPolarHBondContact CA-O 3.35Å; R89-G126 PolarHBondContact N-O 2.72Å; F98-G126 WeakPolarHBondContact CZ-O 3.37Å; Q122-G126 WeakPolarHBondContact O-CA 3.46Å; Q122-G126 PolarHBondContact O-N 3.42Å; G126-N128 PolarHBondContact O-N 3.5Å
127I94.4Very high91.2Very high0 Ų044 Ų440%022%0.219CC..THydrogen-bonded Turntrans-59-20.7-176.5-160.564.9000113.7R89 V95 V123 N129 W132 Q133 L136 A154R89-I127 PolarHBondContact NE-O 3.07Å; V95-I127 HydrophobicContact CG2-CD1 4.11Å; V123-I127 VanDerWaalsContact O-CB 3.3Å; V123-I127 WeakPolarHBondContact O-CB 3.42Å; V123-I127 PolarHBondContact O-N 2.95Å; I127-N129 PolarHBondContact O-N 2.86Å; I127-W132 HydrophobicContact CD1-CE3 4.1Å; I127-W132 HydrophobicContact CD1-CZ3 4.46Å; I127-W132 HydrophobicContact CG1-CB 4.33Å; I127-W132 HydrophobicContact CG1-CE3 3.73Å; I127-W132 HydrophobicContact CG1-CZ3 4.48Å; I127-Q133 HydrophobicContact CG2-CB 3.82Å; I127-L136 HydrophobicContact CG1-CD1 4.4Å; I127-A154 HydrophobicContact CD1-CB 4Å
128N90.5Very high91.4Very high82 Ų8246.9 Ų46.944%0.43923%0.226SC..  trans53.638.8173.8-162.322.9000113.7F88 R89 G126F88-N128 HydrophobicContact CB-CB 4.21Å; R89-N128 HydrophobicContact CB-CB 4.3Å; R89-N128 WeakPolarHBondContact O-CB 3.4Å; R89-N128 PolarHBondContact O-ND2 2.97Å; G126-N128 PolarHBondContact O-N 3.5Å
129N91.9Very high91.8Very high28 Ų2846.2 Ų46.215%0.1523%0.226CC..  trans-146.8113.6170.5180-39000106.7I127 N131 W132 Q133 E161I127-N129 PolarHBondContact O-N 2.86Å; N129-N131 VanDerWaalsContact C-N 3.33Å; N129-N131 PolarHBondContact O-N 3.34Å; N129-N131 PolarHBondContact OD1-N 3.31Å; N129-N131 VanDerWaalsContact OD1-N 3.09Å; N129-W132 HydrophobicContact CB-CB 4Å; N129-W132 HydrophobicContact CB-CD2 3.94Å; N129-W132 HydrophobicContact CB-CE3 4.21Å; N129-W132 HydrophobicContact CB-CG 3.87Å; N129-W132 VanDerWaalsContact CG-CG 3.47Å; N129-W132 PolarHBondContact ND2-NE1 2.95Å; N129-W132 PolarHBondContact O-N 2.95Å; N129-W132 PolarHBondContact OD1-N 3.4Å; N129-W132 VanDerWaalsContact OD1-N 3.14Å; N129-Q133 WeakPolarHBondContact O-CB 3.47Å; N129-Q133 PolarHBondContact O-N 3.46Å; N129-E161 PolarHBondContact ND2-OE1 3.4Å
130V90.4Very high91.9Very high101 Ų10147.2 Ų47.261%0.61223%0.23SC*.Hα-helixtrans-61.8-41.4-173.7176.80000111.1W132 Q133 Q134V130-W132 PolarHBondContact O-N 3.4Å; V130-Q133 PolarHBondContact O-N 3.14Å; V130-Q134 HydrophobicContact CG1-CG 4.45Å; V130-Q134 VanDerWaalsContact O-CG 3.3Å; V130-Q134 WeakPolarHBondContact O-CG 3.21Å; V130-Q134 PolarHBondContact O-N 3.03Å
131N93Very high91.5Very high125 Ų12550.6 Ų50.667%0.66825%0.254SS*.Hα-helixtrans-64.5-44.2179.9-64.7-32000111.1N129 Q134 E135N129-N131 VanDerWaalsContact C-N 3.33Å; N129-N131 PolarHBondContact O-N 3.34Å; N129-N131 PolarHBondContact OD1-N 3.31Å; N129-N131 VanDerWaalsContact OD1-N 3.09Å; N131-Q134 PolarHBondContact O-N 3.43Å; N131-E135 WeakPolarHBondContact O-CB 3.36Å; N131-E135 PolarHBondContact O-N 3.39Å
132W96Very high91.2Very high13 Ų1352 Ų525%0.04927%0.265CS..Hα-helixtrans-67.5-40.1178.1-63.77.7000111.6V95 I127 N129 V130 E135 L136 L157 E158 E161V95-W132 HydrophobicContact CG2-CZ3 3.83Å; I127-W132 HydrophobicContact CD1-CE3 4.1Å; I127-W132 HydrophobicContact CD1-CZ3 4.46Å; I127-W132 HydrophobicContact CG1-CB 4.33Å; I127-W132 HydrophobicContact CG1-CE3 3.73Å; I127-W132 HydrophobicContact CG1-CZ3 4.48Å; N129-W132 HydrophobicContact CB-CB 4Å; N129-W132 HydrophobicContact CB-CD2 3.94Å; N129-W132 HydrophobicContact CB-CE3 4.21Å; N129-W132 HydrophobicContact CB-CG 3.87Å; N129-W132 VanDerWaalsContact CG-CG 3.47Å; N129-W132 PolarHBondContact ND2-NE1 2.95Å; N129-W132 PolarHBondContact O-N 2.95Å; N129-W132 PolarHBondContact OD1-N 3.4Å; N129-W132 VanDerWaalsContact OD1-N 3.14Å; V130-W132 PolarHBondContact O-N 3.4Å; W132-E135 PolarHBondContact O-N 2.84Å; W132-L136 WeakPolarHBondContact O-CB 3.34Å; W132-L136 VanDerWaalsContact O-CG 3.24Å; W132-L136 WeakPolarHBondContact O-CG 3.33Å; W132-L136 PolarHBondContact O-N 2.92Å; W132-L157 HydrophobicContact CB-CD1 3.94Å; W132-L157 HydrophobicContact CD2-CB 3.95Å; W132-L157 HydrophobicContact CE3-CB 4.46Å; W132-L157 HydrophobicContact CG-CB 3.97Å; W132-L157 HydrophobicContact CG-CD1 4.22Å; W132-E158 HydrophobicContact CH2-CB 3.57Å; W132-E158 HydrophobicContact CH2-CG 4.13Å; W132-E158 HydrophobicContact CZ2-CB 4.23Å; W132-E158 HydrophobicContact CZ3-CB 4.02Å; W132-E161 HydrophobicContact CZ2-CB 3.82Å; W132-E161 VanDerWaalsContact CZ2-CD 3.45Å; W132-E161 HydrophobicContact CZ2-CG 4.25Å; W132-E161 WeakPolarHBondContact CZ2-OE2 3.3Å; W132-E161 PolarHBondContact NE1-OE1 3.46Å
133Q93.1Very high90.8Very high54 Ų5452.4 Ų52.425%0.25227%0.268SS..Hα-helixtrans-60.4-47176.8-177.417464.200111.3V124 I125 I127 N129 V130 E135 L136 L137V124-Q133 PolarHBondContact O-NE2 3.45Å; I125-Q133 PolarHBondContact O-NE2 2.98Å; I127-Q133 HydrophobicContact CG2-CB 3.82Å; N129-Q133 WeakPolarHBondContact O-CB 3.47Å; N129-Q133 PolarHBondContact O-N 3.46Å; V130-Q133 PolarHBondContact O-N 3.14Å; Q133-E135 VanDerWaalsContact C-N 3.3Å; Q133-E135 PolarHBondContact O-N 2.85Å; Q133-L136 PolarHBondContact O-N 3.35Å; Q133-L137 HydrophobicContact CG-CD1 4.14Å; Q133-L137 VanDerWaalsContact O-CG 3.28Å; Q133-L137 WeakPolarHBondContact O-CG 3.3Å; Q133-L137 PolarHBondContact O-N 3Å
134Q90.4Very high90.5Very high112 Ų11256.2 Ų56.252%0.52330%0.3SS..Hα-helixtrans-60.2-42.6176.3-69.4-60.9-30.300111.5V130 N131 L137 R138V130-Q134 HydrophobicContact CG1-CG 4.45Å; V130-Q134 VanDerWaalsContact O-CG 3.3Å; V130-Q134 WeakPolarHBondContact O-CG 3.21Å; V130-Q134 PolarHBondContact O-N 3.03Å; N131-Q134 PolarHBondContact O-N 3.43Å; Q134-L137 PolarHBondContact O-N 3.35Å; Q134-R138 WeakPolarHBondContact O-CB 3.26Å; Q134-R138 PolarHBondContact O-N 3.21Å
135E94.6Very high90.4Very high50 Ų5055.9 Ų55.923%0.23430%0.299CS..Hα-helixtrans-67.1-38.5179-177.351.1-155.100112.6N131 W132 Q133 R138 Q139 L157N131-E135 WeakPolarHBondContact O-CB 3.36Å; N131-E135 PolarHBondContact O-N 3.39Å; W132-E135 PolarHBondContact O-N 2.84Å; Q133-E135 VanDerWaalsContact C-N 3.3Å; Q133-E135 PolarHBondContact O-N 2.85Å; E135-R138 PolarHBondContact O-N 2.86Å; E135-R138 IonicContact OE1-CZ 3.66Å; E135-R138 IonicContact OE1-NE 2.95Å; E135-R138 IonicContact OE1-NH2 2.58Å; E135-R138 PolarHBondContact OE1-NH2 3.09Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NE 3.47Å; E135-R138 PolarHBondContact OE2-NE 3.32Å; E135-R138 IonicContact OE2-NH2 3.3Å; E135-R138 PolarHBondContact OE2-NH2 3.38Å; E135-Q139 WeakPolarHBondContact O-CB 3.48Å; E135-Q139 WeakPolarHBondContact O-CG 3.32Å; E135-Q139 PolarHBondContact O-N 2.9Å; E135-Q139 PolarHBondContact OE1-NE2 2.78Å; E135-L157 HydrophobicContact CB-CD1 4.21Å; E135-L157 HydrophobicContact CB-CD2 4.23Å; E135-L157 HydrophobicContact CG-CD1 4.11Å; E135-L157 HydrophobicContact CG-CD2 3.58Å; E135-L157 HydrophobicContact CG-CG 4.45Å
136L94.6Very high90.8Very high1 Ų157.1 Ų57.11%0.00531%0.309CS..Hα-helixtrans-63.7-45172.7-71.4172.2000111.6I127 W132 Q133 R138 Q139 F140 A153 A154 L157I127-L136 HydrophobicContact CG1-CD1 4.4Å; W132-L136 WeakPolarHBondContact O-CB 3.34Å; W132-L136 VanDerWaalsContact O-CG 3.24Å; W132-L136 WeakPolarHBondContact O-CG 3.33Å; W132-L136 PolarHBondContact O-N 2.92Å; Q133-L136 PolarHBondContact O-N 3.35Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.37Å; L136-Q139 PolarHBondContact O-N 2.91Å; L136-F140 HydrophobicContact CD2-CD2 4.41Å; L136-F140 HydrophobicContact CD2-CE2 4.06Å; L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 VanDerWaalsContact O-CD2 3.28Å; L136-F140 WeakPolarHBondContact O-CD2 3.28Å; L136-F140 PolarHBondContact O-N 3.41Å; L136-A153 HydrophobicContact CD2-CB 3.64Å; L136-A154 HydrophobicContact CD1-CB 4.37Å; L136-A154 HydrophobicContact CD2-CB 4.44Å; L136-L157 HydrophobicContact CD2-CD1 4.11Å; L136-L157 HydrophobicContact CG-CD1 3.99Å
137L90.1Very high90.9Very high22 Ų2258.1 Ų58.112%0.11531%0.314CS..Hα-helixtrans-64.3-35176.8-67.9171.4000111.7L66 H70 V124 Q133 Q134 F140 P141L66-L137 HydrophobicContact CD1-CD1 4.1Å; H70-L137 VanDerWaalsContact CE1-CD2 3.44Å; H70-L137 WeakPolarHBondContact CE1-CD2 3.27Å; V124-L137 HydrophobicContact CG1-CD2 3.71Å; V124-L137 HydrophobicContact CG1-CG 4.09Å; Q133-L137 HydrophobicContact CG-CD1 4.14Å; Q133-L137 VanDerWaalsContact O-CG 3.28Å; Q133-L137 WeakPolarHBondContact O-CG 3.3Å; Q133-L137 PolarHBondContact O-N 3Å; Q134-L137 PolarHBondContact O-N 3.35Å; L137-F140 CarbonylContact O-C 3.42Å; L137-F140 VanDerWaalsContact O-C 3.31Å; L137-P141 WeakPolarHBondContact O-CA 3.24Å
138R91.6Very high91Very high166 Ų16664 Ų6463%0.62634%0.342SS*.Hα-helixtrans-68.5-43.2175.1-168.4-167.37074.3-0.7112.4Q134 E135 L136Q134-R138 WeakPolarHBondContact O-CB 3.26Å; Q134-R138 PolarHBondContact O-N 3.21Å; E135-R138 PolarHBondContact O-N 2.86Å; E135-R138 IonicContact OE1-CZ 3.66Å; E135-R138 IonicContact OE1-NE 2.95Å; E135-R138 IonicContact OE1-NH2 2.58Å; E135-R138 PolarHBondContact OE1-NH2 3.09Å; E135-R138 IonicContact OE2-CZ 2.67Å; E135-R138 IonicContact OE2-NE 3.47Å; E135-R138 PolarHBondContact OE2-NE 3.32Å; E135-R138 IonicContact OE2-NH2 3.3Å; E135-R138 PolarHBondContact OE2-NH2 3.38Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.37Å
139Q94Very high91.4Very high67 Ų6764.2 Ų64.231%0.31334%0.34SS..Hα-helixtrans-70.2-33.7177.4-74.2-176.439.400112.2E135 L136 P141E135-Q139 WeakPolarHBondContact O-CB 3.48Å; E135-Q139 WeakPolarHBondContact O-CG 3.32Å; E135-Q139 PolarHBondContact O-N 2.9Å; E135-Q139 PolarHBondContact OE1-NE2 2.78Å; L136-Q139 PolarHBondContact O-N 2.91Å; Q139-P141 VanDerWaalsContact C-CD 3.45Å; Q139-P141 VanDerWaalsContact O-CD 3.3Å; Q139-P141 WeakPolarHBondContact O-CD 3.47Å
140F92.3Very high91.6Very high36 Ų3663 Ų6316%0.15833%0.333CS..  trans-121.971.1-176.7-52.2-63.9000110.8H70 L136 L137 S142 A145 Q149 V150 A153H70-F140 PolarHBondContact CE1-O 3.36Å; H70-F140 PolarHBondContact ND1-O 3.2Å; L136-F140 HydrophobicContact CD2-CD2 4.41Å; L136-F140 HydrophobicContact CD2-CE2 4.06Å; L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 VanDerWaalsContact O-CD2 3.28Å; L136-F140 WeakPolarHBondContact O-CD2 3.28Å; L136-F140 PolarHBondContact O-N 3.41Å; L137-F140 CarbonylContact O-C 3.42Å; L137-F140 VanDerWaalsContact O-C 3.31Å; F140-S142 PolarHBondContact O-N 3.23Å; F140-A145 HydrophobicContact CB-CB 4.08Å; F140-A145 HydrophobicContact CD1-CB 3.38Å; F140-A145 HydrophobicContact CE1-CB 3.9Å; F140-A145 HydrophobicContact CG-CB 3.77Å; F140-Q149 HydrophobicContact CE1-CB 4.2Å; F140-Q149 HydrophobicContact CZ-CB 4.27Å; F140-Q149 WeakPolarHBondContact CZ-O 3.36Å; F140-V150 HydrophobicContact CD2-CG2 3.91Å; F140-V150 HydrophobicContact CE2-CB 4.45Å; F140-V150 HydrophobicContact CE2-CG2 3.95Å; F140-V150 HydrophobicContact CG-CG2 4.36Å; F140-V150 HydrophobicContact CZ-CG2 4.42Å; F140-A153 HydrophobicContact CE2-CB 3.54Å; F140-A153 HydrophobicContact CZ-CB 3.76Å
141P82.4Confident91.9Very high86 Ų8659.6 Ų59.656%0.55831%0.311SS*.SBendtrans-68.9-4.3-176.330.6-37.8000113.6L137 Q139L137-P141 WeakPolarHBondContact O-CA 3.24Å; Q139-P141 VanDerWaalsContact C-CD 3.45Å; Q139-P141 VanDerWaalsContact O-CD 3.3Å; Q139-P141 WeakPolarHBondContact O-CD 3.47Å
142S84.1Confident92.1Very high57 Ų5757.9 Ų57.940%0.39930%0.299SS..SBendtrans-141.3166.6174.870.40000110.2D69 F140 A144D69-S142 WeakPolarHBondContact O-CA 3.25Å; F140-S142 PolarHBondContact O-N 3.23Å; S142-A144 PolarHBondContact O-N 3.16Å; S142-A144 VanDerWaalsContact O-N 3.07Å
143N79.5Confident92.2Very high36 Ų3657.2 Ų57.219%0.19330%0.297CS..THydrogen-bonded Turntrans-7716.7178.483.9-20.8000115D69 H70 K72 R120 A145D69-N143 PolarHBondContact O-N 3.14Å; H70-N143 WeakPolarHBondContact O-CB 3.42Å; K72-N143 VanDerWaalsContact CD-ND2 3.33Å; K72-N143 WeakPolarHBondContact CD-ND2 3.38Å; K72-N143 WeakPolarHBondContact CE-ND2 3.37Å; K72-N143 WeakPolarHBondContact CE-OD1 3.29Å; R120-N143 PolarHBondContact NH1-O 3.16Å; N143-A145 PolarHBondContact O-N 2.94Å
144A86.8Confident92.5Very high82 Ų8254.7 Ų54.768%0.67829%0.285SS*.THydrogen-bonded Turntrans-70.8-19176.400000113S142S142-A144 PolarHBondContact O-N 3.16Å; S142-A144 VanDerWaalsContact O-N 3.07Å
145A91.4Very high92.8Very high8 Ų851.5 Ų51.57%0.06628%0.275CS..SBendtrans-67.6138177.700000111.4R120 F140 N143 V150R120-A145 WeakPolarHBondContact CD-O 3.18Å; R120-A145 PolarHBondContact NH1-O 3.46Å; R120-A145 VanDerWaalsContact NH1-O 3.11Å; F140-A145 HydrophobicContact CB-CB 4.08Å; F140-A145 HydrophobicContact CD1-CB 3.38Å; F140-A145 HydrophobicContact CE1-CB 3.9Å; F140-A145 HydrophobicContact CG-CB 3.77Å; N143-A145 PolarHBondContact O-N 2.94Å; A145-V150 HydrophobicContact CB-CG2 3.89Å
146T94.5Very high93Very high74 Ų7455.3 Ų55.345%0.45429%0.287SS..  trans-76.9160.2169.963.70000110.6Q148 Q149 V150T146-Q148 VanDerWaalsContact C-N 3.27Å; T146-Q148 PolarHBondContact O-N 2.71Å; T146-Q149 PolarHBondContact O-N 2.86Å; T146-Q149 VanDerWaalsContact OG1-CG 3.29Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.29Å; T146-Q149 PolarHBondContact OG1-N 3.27Å; T146-Q149 PolarHBondContact OG1-OE1 3.2Å; T146-V150 PolarHBondContact O-N 3.39Å
147L94.1Very high93.1Very high21 Ų2156.7 Ų56.711%0.1129%0.294CS..Hα-helixtrans-52.2-47.8171.8173.660.6000111.5L119 R120 V123 Q149 V150 E151L119-L147 HydrophobicContact CB-CD1 3.81Å; L119-L147 HydrophobicContact CB-CD2 3.81Å; L119-L147 HydrophobicContact CB-CG 4.45Å; L119-L147 HydrophobicContact CD1-CD2 3.85Å; R120-L147 HydrophobicContact CB-CB 4.29Å; R120-L147 HydrophobicContact CB-CD1 4.13Å; V123-L147 HydrophobicContact CG2-CD1 4.44Å; L147-Q149 PolarHBondContact O-N 2.7Å; L147-V150 PolarHBondContact O-N 2.88Å; L147-E151 HydrophobicContact CD1-CG 3.94Å; L147-E151 WeakPolarHBondContact CD1-OE1 3.45Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.33Å; L147-E151 HydrophobicContact CG-CG 4.28Å; L147-E151 WeakPolarHBondContact CG-OE1 3.34Å; L147-E151 WeakPolarHBondContact O-CG 3.47Å; L147-E151 PolarHBondContact O-N 3.34Å
148Q96.3Very high93.4Very high123 Ų12357.5 Ų57.558%0.57530%0.298SS*.Hα-helixtrans-57.7-45.6-179.8-177.3-178.2-8.600112.3T146 V150 E151 E152T146-Q148 VanDerWaalsContact C-N 3.27Å; T146-Q148 PolarHBondContact O-N 2.71Å; Q148-V150 VanDerWaalsContact C-N 3.31Å; Q148-V150 PolarHBondContact O-N 3.28Å; Q148-E151 PolarHBondContact O-N 3.03Å; Q148-E152 HydrophobicContact CG-CG 4.42Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.36Å; Q148-E152 PolarHBondContact NE2-OE1 3.02Å; Q148-E152 WeakPolarHBondContact O-CB 3.48Å; Q148-E152 WeakPolarHBondContact O-CG 3.32Å; Q148-E152 PolarHBondContact O-N 2.78Å
149Q97.8Very high93.6Very high87 Ų8754.4 Ų54.441%0.40729%0.293SS..Hα-helixtrans-61.4-40.4179.1-74.3167.2-45.600112.3F140 T146 L147 A153F140-Q149 HydrophobicContact CE1-CB 4.2Å; F140-Q149 HydrophobicContact CZ-CB 4.27Å; F140-Q149 WeakPolarHBondContact CZ-O 3.36Å; T146-Q149 PolarHBondContact O-N 2.86Å; T146-Q149 VanDerWaalsContact OG1-CG 3.29Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.29Å; T146-Q149 PolarHBondContact OG1-N 3.27Å; T146-Q149 PolarHBondContact OG1-OE1 3.2Å; L147-Q149 PolarHBondContact O-N 2.7Å; Q149-A153 WeakPolarHBondContact O-CB 3.49Å; Q149-A153 PolarHBondContact O-N 3.4Å
150V96.8Very high93.7Very high1 Ų153.3 Ų53.31%0.00630%0.295CS..Hα-helixtrans-69.9-40.6177.9175.10000111.3R120 V123 V124 F140 A145 T146 L147 Q148 A153 A154R120-V150 HydrophobicContact CG-CB 4.04Å; R120-V150 HydrophobicContact CG-CG1 4.41Å; R120-V150 HydrophobicContact CG-CG2 3.56Å; V123-V150 HydrophobicContact CB-CG1 4.23Å; V123-V150 HydrophobicContact CG1-CG1 3.81Å; V124-V150 HydrophobicContact CG2-CG1 3.75Å; F140-V150 HydrophobicContact CD2-CG2 3.91Å; F140-V150 HydrophobicContact CE2-CB 4.45Å; F140-V150 HydrophobicContact CE2-CG2 3.95Å; F140-V150 HydrophobicContact CG-CG2 4.36Å; F140-V150 HydrophobicContact CZ-CG2 4.42Å; A145-V150 HydrophobicContact CB-CG2 3.89Å; T146-V150 PolarHBondContact O-N 3.39Å; L147-V150 PolarHBondContact O-N 2.88Å; Q148-V150 VanDerWaalsContact C-N 3.31Å; Q148-V150 PolarHBondContact O-N 3.28Å; V150-A153 PolarHBondContact O-N 3.12Å; V150-A154 WeakPolarHBondContact O-CB 3.23Å; V150-A154 PolarHBondContact O-N 3.14Å
151E96.9Very high93.8Very high31 Ų3154.8 Ų54.815%0.14530%0.303CS..Hα-helixtrans-61.2-48.3174.8-71.4178.3-165.100111.7V99 R103 L147 Q148 A153 A154 S155V99-E151 HydrophobicContact CG1-CG 4.03Å; V99-E151 WeakPolarHBondContact CG1-OE1 3.23Å; V99-E151 HydrophobicContact CG2-CG 3.87Å; R103-E151 IonicContact CZ-OE1 3.49Å; R103-E151 IonicContact CZ-OE2 3.71Å; R103-E151 IonicContact NE-OE1 3.98Å; R103-E151 IonicContact NH2-OE1 2.64Å; R103-E151 PolarHBondContact NH2-OE1 3.18Å; R103-E151 IonicContact NH2-OE2 2.68Å; R103-E151 PolarHBondContact NH2-OE2 3.01Å; L147-E151 HydrophobicContact CD1-CG 3.94Å; L147-E151 WeakPolarHBondContact CD1-OE1 3.45Å; L147-E151 WeakPolarHBondContact CD2-OE1 3.33Å; L147-E151 HydrophobicContact CG-CG 4.28Å; L147-E151 WeakPolarHBondContact CG-OE1 3.34Å; L147-E151 WeakPolarHBondContact O-CG 3.47Å; L147-E151 PolarHBondContact O-N 3.34Å; Q148-E151 PolarHBondContact O-N 3.03Å; E151-A153 VanDerWaalsContact C-N 3.31Å; E151-A153 PolarHBondContact O-N 2.98Å; E151-A154 PolarHBondContact O-N 2.93Å; E151-S155 WeakPolarHBondContact O-CB 3.48Å; E151-S155 PolarHBondContact O-N 3.33Å; E151-S155 PolarHBondContact O-OG 3.41Å
152E97.8Very high94.2Very high88 Ų8853 Ų5341%0.41129%0.292SS..Hα-helixtrans-61.1-40.5177.5-73173.9-171.300111.7Q148 S155 R156Q148-E152 HydrophobicContact CG-CG 4.42Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.36Å; Q148-E152 PolarHBondContact NE2-OE1 3.02Å; Q148-E152 WeakPolarHBondContact O-CB 3.48Å; Q148-E152 WeakPolarHBondContact O-CG 3.32Å; Q148-E152 PolarHBondContact O-N 2.78Å; E152-S155 PolarHBondContact O-N 2.79Å; E152-R156 WeakPolarHBondContact O-CG 3.38Å; E152-R156 PolarHBondContact O-N 3.22Å
153A98.1Very high94.6Very high0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-64.5-44.8175.600000112.3L136 F140 Q149 V150 E151 S155 R156 L157L136-A153 HydrophobicContact CD2-CB 3.64Å; F140-A153 HydrophobicContact CE2-CB 3.54Å; F140-A153 HydrophobicContact CZ-CB 3.76Å; Q149-A153 WeakPolarHBondContact O-CB 3.49Å; Q149-A153 PolarHBondContact O-N 3.4Å; V150-A153 PolarHBondContact O-N 3.12Å; E151-A153 VanDerWaalsContact C-N 3.31Å; E151-A153 PolarHBondContact O-N 2.98Å; A153-S155 PolarHBondContact O-N 3.19Å; A153-R156 PolarHBondContact O-N 3.26Å; A153-L157 WeakPolarHBondContact O-CG 3.39Å; A153-L157 PolarHBondContact O-N 3.05Å; A153-L157 VanDerWaalsContact O-N 3.07Å
154A97.8Very high95.2Very high0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-62.5-42.2176.300000111.5V95 V123 I127 L136 V150 E151 R156 L157 E158V95-A154 HydrophobicContact CG1-CB 3.65Å; V95-A154 HydrophobicContact CG2-CB 4.19Å; V123-A154 HydrophobicContact CG1-CB 4.45Å; I127-A154 HydrophobicContact CD1-CB 4Å; L136-A154 HydrophobicContact CD1-CB 4.37Å; L136-A154 HydrophobicContact CD2-CB 4.44Å; V150-A154 WeakPolarHBondContact O-CB 3.23Å; V150-A154 PolarHBondContact O-N 3.14Å; E151-A154 PolarHBondContact O-N 2.93Å; A154-R156 VanDerWaalsContact C-N 3.33Å; A154-R156 PolarHBondContact O-N 3.13Å; A154-L157 PolarHBondContact O-N 3.28Å; A154-E158 PolarHBondContact O-N 3.39Å
155S97.4Very high95.3Very high46 Ų4659.8 Ų59.832%0.32231%0.305SS..Hα-helixtrans-64.8-34174.9-69.90000113.1E151 E152 A153 L159E151-S155 WeakPolarHBondContact O-CB 3.48Å; E151-S155 PolarHBondContact O-N 3.33Å; E151-S155 PolarHBondContact O-OG 3.41Å; E152-S155 PolarHBondContact O-N 2.79Å; A153-S155 PolarHBondContact O-N 3.19Å; S155-L159 WeakPolarHBondContact O-CB 3.41Å; S155-L159 PolarHBondContact O-N 3.36Å
156R97.9Very high95.2Very high130 Ų13068.6 Ų68.649%0.49134%0.336SS..Hα-helixtrans-64.9-39.6172.1-76.2-171.5-59.7-91.94.3112.1E152 A153 A154 L159 A160E152-R156 WeakPolarHBondContact O-CG 3.38Å; E152-R156 PolarHBondContact O-N 3.22Å; A153-R156 PolarHBondContact O-N 3.26Å; A154-R156 VanDerWaalsContact C-N 3.33Å; A154-R156 PolarHBondContact O-N 3.13Å; R156-L159 PolarHBondContact O-N 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.49Å; R156-A160 PolarHBondContact O-N 3.45Å
157L97.8Very high94.8Very high29 Ų2971.9 Ų71.915%0.15235%0.35CS..Hα-helixtrans-66.7-42.1177.1-66167.2000111.6W132 E135 L136 A153 A154 A160 E161W132-L157 HydrophobicContact CB-CD1 3.94Å; W132-L157 HydrophobicContact CD2-CB 3.95Å; W132-L157 HydrophobicContact CE3-CB 4.46Å; W132-L157 HydrophobicContact CG-CB 3.97Å; W132-L157 HydrophobicContact CG-CD1 4.22Å; E135-L157 HydrophobicContact CB-CD1 4.21Å; E135-L157 HydrophobicContact CB-CD2 4.23Å; E135-L157 HydrophobicContact CG-CD1 4.11Å; E135-L157 HydrophobicContact CG-CD2 3.58Å; E135-L157 HydrophobicContact CG-CG 4.45Å; L136-L157 HydrophobicContact CD2-CD1 4.11Å; L136-L157 HydrophobicContact CG-CD1 3.99Å; A153-L157 WeakPolarHBondContact O-CG 3.39Å; A153-L157 PolarHBondContact O-N 3.05Å; A153-L157 VanDerWaalsContact O-N 3.07Å; A154-L157 PolarHBondContact O-N 3.28Å; L157-A160 PolarHBondContact O-N 2.95Å; L157-E161 PolarHBondContact O-N 3.25Å
158E96.8Very high94.3Very high40 Ų4078.8 Ų78.819%0.18738%0.382CS..Hα-helixtrans-57.9-49.4172174174.5-102.400112.2S94 V95 W132 A154 A160 E161 C162S94-E158 WeakPolarHBondContact CA-OE1 3.42Å; S94-E158 WeakPolarHBondContact CB-OE1 3.2Å; V95-E158 HydrophobicContact CG2-CB 3.9Å; V95-E158 HydrophobicContact CG2-CG 4.46Å; V95-E158 PolarHBondContact N-OE1 3.29Å; W132-E158 HydrophobicContact CH2-CB 3.57Å; W132-E158 HydrophobicContact CH2-CG 4.13Å; W132-E158 HydrophobicContact CZ2-CB 4.23Å; W132-E158 HydrophobicContact CZ3-CB 4.02Å; A154-E158 PolarHBondContact O-N 3.39Å; E158-A160 VanDerWaalsContact C-N 3.31Å; E158-A160 PolarHBondContact O-N 3.38Å; E158-E161 PolarHBondContact O-N 3.48Å; E158-C162 PolarHBondContact O-N 3.05Å; E158-C162 PolarHBondContact O-SG 3.27Å
159L96Very high92.9Very high101 Ų10181.4 Ų81.453%0.52941%0.406SS..Hα-helixtrans-60.4-42.5178.2179.861.9000111.8S155 R156 C162 Q163S155-L159 WeakPolarHBondContact O-CB 3.41Å; S155-L159 PolarHBondContact O-N 3.36Å; R156-L159 PolarHBondContact O-N 3.26Å; L159-C162 PolarHBondContact O-N 3.38Å; L159-Q163 HydrophobicContact CD1-CG 4.39Å; L159-Q163 WeakPolarHBondContact O-CB 3.5Å; L159-Q163 VanDerWaalsContact O-CG 3.27Å; L159-Q163 WeakPolarHBondContact O-CG 3.07Å; L159-Q163 PolarHBondContact O-N 2.98Å
160A95.2Very high92.6Very high44 Ų4481.1 Ų81.136%0.36441%0.406SS..Hα-helixtrans-63.1-43178.500000111.8R156 L157 E158 Q163 L164R156-A160 WeakPolarHBondContact O-CB 3.49Å; R156-A160 PolarHBondContact O-N 3.45Å; L157-A160 PolarHBondContact O-N 2.95Å; E158-A160 VanDerWaalsContact C-N 3.31Å; E158-A160 PolarHBondContact O-N 3.38Å; A160-Q163 PolarHBondContact O-N 3.32Å; A160-L164 WeakPolarHBondContact O-CG 3.18Å; A160-L164 PolarHBondContact O-N 2.93Å
161E93.7Very high92.4Very high67 Ų6785.3 Ų85.331%0.31343%0.427SS..Hα-helixtrans-62.6-48.3175.6-171.5169.7-92.700111.1N129 W132 L157 E158 Q163 L164 E165N129-E161 PolarHBondContact ND2-OE1 3.4Å; W132-E161 HydrophobicContact CZ2-CB 3.82Å; W132-E161 VanDerWaalsContact CZ2-CD 3.45Å; W132-E161 HydrophobicContact CZ2-CG 4.25Å; W132-E161 WeakPolarHBondContact CZ2-OE2 3.3Å; W132-E161 PolarHBondContact NE1-OE1 3.46Å; L157-E161 PolarHBondContact O-N 3.25Å; E158-E161 PolarHBondContact O-N 3.48Å; E161-Q163 PolarHBondContact O-N 3.35Å; E161-L164 PolarHBondContact O-N 3.03Å; E161-L164 VanDerWaalsContact O-N 3.09Å; E161-E165 WeakPolarHBondContact O-CG 3.44Å; E161-E165 PolarHBondContact O-N 3.18Å
162C90.8Very high92.2Very high48 Ų4888.3 Ų88.332%0.32444%0.443SS..Hα-helixtrans-59.3-32.5176-72.90000113.3E158 L159 R166E158-C162 PolarHBondContact O-N 3.05Å; E158-C162 PolarHBondContact O-SG 3.27Å; L159-C162 PolarHBondContact O-N 3.38Å; C162-R166 WeakPolarHBondContact O-CG 3.24Å; C162-R166 PolarHBondContact O-N 2.96Å
163Q93.4Very high91.8Very high102 Ų10288.4 Ų88.448%0.47745%0.445SS..Hα-helixtrans-72.8-40.3175.8-75.4173.6-7.800111.7L159 A160 E161 R166 L167L159-Q163 HydrophobicContact CD1-CG 4.39Å; L159-Q163 WeakPolarHBondContact O-CB 3.5Å; L159-Q163 VanDerWaalsContact O-CG 3.27Å; L159-Q163 WeakPolarHBondContact O-CG 3.07Å; L159-Q163 PolarHBondContact O-N 2.98Å; A160-Q163 PolarHBondContact O-N 3.32Å; E161-Q163 PolarHBondContact O-N 3.35Å; Q163-R166 PolarHBondContact O-N 3.36Å; Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.3Å
164L91.2Very high91.4Very high105 Ų10593.9 Ų93.955%0.5547%0.473SS..Hα-helixtrans-64.9-41.7177.5-72172.1000112.1A160 E161 R166 L167 Q168A160-L164 WeakPolarHBondContact O-CG 3.18Å; A160-L164 PolarHBondContact O-N 2.93Å; E161-L164 PolarHBondContact O-N 3.03Å; E161-L164 VanDerWaalsContact O-N 3.09Å; L164-R166 VanDerWaalsContact C-N 3.26Å; L164-R166 PolarHBondContact O-N 3.21Å; L164-L167 PolarHBondContact O-N 3.4Å; L164-L167 VanDerWaalsContact O-N 3.11Å; L164-Q168 WeakPolarHBondContact O-CG 3.44Å; L164-Q168 PolarHBondContact O-N 3.11Å
165E89.8Confident91Very high111 Ų111100.1 Ų100.152%0.51950%0.504SS..Hα-helixtrans-59.9-37.4176.6-70.8177.7163.500112.1E161 L167 Q168 T169E161-E165 WeakPolarHBondContact O-CG 3.44Å; E161-E165 PolarHBondContact O-N 3.18Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.82Å; E165-Q168 PolarHBondContact O-N 3.32Å; E165-T169 PolarHBondContact O-OG1 3.48Å
166R89.4Confident90.6Very high193 Ų193104 Ų10473%0.72852%0.517SS*.Hα-helixtrans-70-25.7176.6-70.3174.4-169.5-176.23.1113.9C162 Q163 L164 Q168C162-R166 WeakPolarHBondContact O-CG 3.24Å; C162-R166 PolarHBondContact O-N 2.96Å; Q163-R166 PolarHBondContact O-N 3.36Å; L164-R166 VanDerWaalsContact C-N 3.26Å; L164-R166 PolarHBondContact O-N 3.21Å; R166-Q168 VanDerWaalsContact C-N 3.35Å
167L86.6Confident90Very high143 Ų143102 Ų10275%0.74952%0.519SS*.Hα-helixtrans-82.3-16.7177.9-68.5172.1000112.6Q163 L164 E165Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.3Å; L164-L167 PolarHBondContact O-N 3.4Å; L164-L167 VanDerWaalsContact O-N 3.11Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.82Å
168Q82.1Confident89.3Confident166 Ų166108.1 Ų108.178%0.77655%0.55SS**  trans-93.8-2.9179.2-67.5178.5-0.800113.3L164 E165 R166L164-Q168 WeakPolarHBondContact O-CG 3.44Å; L164-Q168 PolarHBondContact O-N 3.11Å; E165-Q168 PolarHBondContact O-N 3.32Å; R166-Q168 VanDerWaalsContact C-N 3.35Å
169T67.1Low88.7Confident177 Ų177114.3 Ų114.3100%1.08658%0.583SS**  trans-100.60175.4-46.80000109.9E165E165-T169 PolarHBondContact O-OG1 3.48Å

Retrieved 169 of 169 residues in 313.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).