A0A077ZCF1_TRITR Loading...

Ubiq cyt C chap and DUF3944 domain containing pro tein

AlphaFold DB , UniProt , Accession A0A077ZCF1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.7Low85.2Confident178 Ų17865.2 Ų65.288%0.87735%0.351SS*.  01130-159.7179.8-7500105.1V42M1-V42 HydrophobicContact CB-CG1 4.19Å; M1-V42 HydrophobicContact CG-CG1 4.18Å; M1-V42 HydrophobicContact CG-CG2 4.47Å; M1-V42 WeakPolarHBondContact O-CG1 3.41Å; M1-V42 HydrophobicContact SD-CG2 3.92Å
2N71.9Confident86.1Confident105 Ų10565.1 Ų65.156%0.56135%0.35SS*.  trans-89.7149.1-173.2-158.522.1000110.3N46N2-N46 PolarHBondContact OD1-ND2 2.95Å
3V76.9Confident86.9Confident5 Ų561.8 Ų61.83%0.0333%0.331CS..  trans-84.5112.9168178.70000106.6V42 N46 L65V3-V42 HydrophobicContact CG2-CB 3.89Å; V3-V42 HydrophobicContact CG2-CG1 3.63Å; V3-N46 HydrophobicContact CG2-CB 4.48Å; V3-L65 HydrophobicContact CB-CD2 4.19Å; V3-L65 WeakPolarHBondContact CG1-O 3.29Å
4N83Confident87.6Confident76 Ų7657.4 Ų57.441%0.40631%0.307SS..  trans-99.5100.6177.9-71.4-10.5000108.8H72N4-H72 PolarHBondContact N-NE2 2.91Å
5Y88.9Confident88.1Confident37 Ų3759.5 Ų59.515%0.14532%0.315CS..PPolyproline II helixtrans-69.9128.2171.6177.9-120.5000110.2D8 L11 D12 W63 Q64 A67Y5-D8 HydrophobicContact CE2-CB 4.4Å; Y5-D8 PolarHBondContact OH-N 3.35Å; Y5-D8 PolarHBondContact OH-O 3.22Å; Y5-L11 HydrophobicContact CE2-CD1 4.41Å; Y5-D12 PolarHBondContact OH-OD1 3.45Å; Y5-W63 HydrophobicContact CE1-CH2 4.15Å; Y5-W63 HydrophobicContact CE1-CZ3 4.33Å; Y5-W63 AromaticContact CZ-CZ3 3.92Å; Y5-Q64 WeakPolarHBondContact CB-O 3.33Å; Y5-Q64 HydrophobicContact CD1-CB 3.86Å; Y5-Q64 HydrophobicContact CD1-CG 3.9Å; Y5-Q64 HydrophobicContact CE1-CB 4.41Å; Y5-Q64 HydrophobicContact CE1-CG 4.04Å; Y5-Q64 HydrophobicContact CG-CB 4.04Å; Y5-A67 HydrophobicContact CD2-CB 3.68Å; Y5-A67 HydrophobicContact CE2-CB 3.49Å; Y5-A67 VanDerWaalsContact CE2-CB 3.49Å
6L89.5Confident88.6Confident40 Ų4062.3 Ų62.321%0.20933%0.325CS..PPolyproline II helixtrans-87128.1164.2-68.9171.7000108.4D8 Q71 H85 G86 L88L6-D8 WeakPolarHBondContact O-CB 3.42Å; L6-D8 PolarHBondContact O-N 3.15Å; L6-Q71 PolarHBondContact O-NE2 3.16Å; L6-H85 HydrophobicContact CD1-CB 4.02Å; L6-H85 HydrophobicContact CD2-CB 3.7Å; L6-H85 HydrophobicContact CG-CB 3.96Å; L6-G86 WeakPolarHBondContact CD1-O 3.39Å; L6-L88 HydrophobicContact CB-CD2 4.37Å
7N92Very high88.9Confident138 Ų13858.8 Ų58.874%0.73831%0.307SS*.PPolyproline II helixtrans-53.4124.2172.2-70.2-11.2000110
8D94.2Very high89.1Confident8 Ų858.2 Ų58.24%0.04331%0.309CS..  trans-147.6103-169-170.4-17.1000109.1Y5 L6 D10 L11 D12 Q71 L88 Y89Y5-D8 HydrophobicContact CE2-CB 4.4Å; Y5-D8 PolarHBondContact OH-N 3.35Å; Y5-D8 PolarHBondContact OH-O 3.22Å; L6-D8 WeakPolarHBondContact O-CB 3.42Å; L6-D8 PolarHBondContact O-N 3.15Å; D8-D10 PolarHBondContact O-N 2.86Å; D8-D10 VanDerWaalsContact O-N 3.12Å; D8-D10 WeakPolarHBondContact OD1-CB 3.26Å; D8-D10 PolarHBondContact OD1-N 3.12Å; D8-D10 VanDerWaalsContact OD1-N 3.15Å; D8-L11 HydrophobicContact CB-CB 4.33Å; D8-L11 HydrophobicContact CB-CD1 4.42Å; D8-L11 HydrophobicContact CB-CG 4.4Å; D8-L11 PolarHBondContact O-N 3.01Å; D8-D12 PolarHBondContact O-N 2.91Å; D8-Q71 PolarHBondContact OD2-NE2 2.89Å; D8-L88 HydrophobicContact CB-CD2 4.09Å; D8-L88 WeakPolarHBondContact OD2-CA 3.32Å; D8-Y89 VanDerWaalsContact OD2-CB 3.3Å; D8-Y89 WeakPolarHBondContact OD2-CB 3.36Å; D8-Y89 PolarHBondContact OD2-N 2.83Å
9S94.9Very high89.4Confident96 Ų9657.6 Ų57.667%0.67130%0.304SS*.THydrogen-bonded Turntrans-59.7-25.2-178.256.80000112.6L11S9-L11 PolarHBondContact O-N 2.88Å
10D96Very high89.6Confident34 Ų3461.2 Ų61.218%0.18232%0.319CS..THydrogen-bonded Turntrans-72.1-16.9175.1-70.6-39.2000112D8 F13 Y89 T110 R229D8-D10 PolarHBondContact O-N 2.86Å; D8-D10 VanDerWaalsContact O-N 3.12Å; D8-D10 WeakPolarHBondContact OD1-CB 3.26Å; D8-D10 PolarHBondContact OD1-N 3.12Å; D8-D10 VanDerWaalsContact OD1-N 3.15Å; D10-F13 WeakPolarHBondContact O-CD1 3.35Å; D10-F13 WeakPolarHBondContact O-CE1 3.41Å; D10-Y89 HydrophobicContact CB-CD1 3.74Å; D10-Y89 HydrophobicContact CB-CG 4.48Å; D10-T110 HydrophobicContact CB-CG2 4.11Å; D10-T110 VanDerWaalsContact CG-OG1 3.27Å; D10-T110 WeakPolarHBondContact OD1-CB 3.5Å; D10-T110 PolarHBondContact OD1-OG1 2.81Å; D10-T110 PolarHBondContact OD2-OG1 3.43Å; D10-R229 PolarHBondContact O-NH1 2.97Å; D10-R229 PolarHBondContact O-NH2 3.27Å
11L96.7Very high89.7Confident0 Ų059.7 Ų59.70%031%0.311CS..THydrogen-bonded Turntrans-106.6-9.3178.4-65-178.1000113.9Y5 D8 S9 F13 L14 A67 L70 Q71 Y89 I225Y5-L11 HydrophobicContact CE2-CD1 4.41Å; D8-L11 HydrophobicContact CB-CB 4.33Å; D8-L11 HydrophobicContact CB-CD1 4.42Å; D8-L11 HydrophobicContact CB-CG 4.4Å; D8-L11 PolarHBondContact O-N 3.01Å; S9-L11 PolarHBondContact O-N 2.88Å; L11-F13 PolarHBondContact O-N 3.24Å; L11-F13 VanDerWaalsContact O-N 3.08Å; L11-L14 HydrophobicContact CB-CD1 4.26Å; L11-L14 HydrophobicContact CD2-CD1 4.3Å; L11-L14 VanDerWaalsContact O-CB 3.23Å; L11-L14 WeakPolarHBondContact O-CB 3.23Å; L11-L14 VanDerWaalsContact O-CG 3.27Å; L11-L14 WeakPolarHBondContact O-CG 3.46Å; L11-L14 PolarHBondContact O-N 3.22Å; L11-A67 HydrophobicContact CD1-CB 3.95Å; L11-L70 HydrophobicContact CD1-CD2 4.43Å; L11-L70 HydrophobicContact CD2-CD2 4.32Å; L11-Q71 HydrophobicContact CD1-CG 4.18Å; L11-Y89 HydrophobicContact CD2-CD1 4.31Å; L11-Y89 HydrophobicContact CD2-CD2 3.85Å; L11-Y89 HydrophobicContact CD2-CG 3.71Å; L11-Y89 HydrophobicContact CG-CG 4.16Å; L11-I225 HydrophobicContact CD2-CD1 4.12Å; L11-I225 HydrophobicContact CD2-CG2 4.33Å
12D96Very high91.7Very high64 Ų6451.2 Ų51.234%0.34227%0.269SS..G310 helixtrans-58.2-27.8-177.5-73.9-15.6000113.5Y5 D8 L14 Q15Y5-D12 PolarHBondContact OH-OD1 3.45Å; D8-D12 PolarHBondContact O-N 2.91Å; D12-L14 PolarHBondContact O-N 2.9Å; D12-L14 VanDerWaalsContact O-N 3.11Å; D12-Q15 WeakPolarHBondContact O-CG 2.75Å; D12-Q15 PolarHBondContact O-N 3.46Å; D12-Q15 PolarHBondContact O-NE2 2.75Å
13F95.9Very high92.7Very high22 Ų2247.5 Ų47.510%0.09625%0.252CS..G310 helixtrans-61.1-20.2176.884.3-81.7000113.2D10 L11 Q15 H16 I225 L228 R229 V232D10-F13 WeakPolarHBondContact O-CD1 3.35Å; D10-F13 WeakPolarHBondContact O-CE1 3.41Å; L11-F13 PolarHBondContact O-N 3.24Å; L11-F13 VanDerWaalsContact O-N 3.08Å; F13-Q15 PolarHBondContact O-N 3.33Å; F13-H16 WeakPolarHBondContact O-CB 3.24Å; F13-H16 PolarHBondContact O-N 2.63Å; F13-I225 HydrophobicContact CE1-CG2 3.97Å; F13-I225 HydrophobicContact CZ-CD1 4.3Å; F13-I225 HydrophobicContact CZ-CG2 3.91Å; F13-L228 HydrophobicContact CE2-CB 3.86Å; F13-L228 HydrophobicContact CZ-CB 4.27Å; F13-R229 HydrophobicContact CD1-CG 4.38Å; F13-R229 HydrophobicContact CD2-CB 4.16Å; F13-R229 HydrophobicContact CD2-CG 4.32Å; F13-R229 HydrophobicContact CE1-CB 4.2Å; F13-R229 HydrophobicContact CE1-CG 4.46Å; F13-R229 VanDerWaalsContact CE1-CZ 3.5Å; F13-R229 HydrophobicContact CE2-CB 3.81Å; F13-R229 HydrophobicContact CE2-CG 4.43Å; F13-R229 HydrophobicContact CG-CG 4.29Å; F13-R229 HydrophobicContact CZ-CB 3.81Å; F13-R229 HydrophobicContact CZ-CG 4.48Å; F13-V232 HydrophobicContact CD2-CB 4.21Å; F13-V232 HydrophobicContact CD2-CG2 4.11Å
14L96.8Very high93.4Very high0 Ų050.9 Ų50.90%027%0.27CS..G310 helixtrans-58.8-27.2177.2-72.1178.8000112.5L11 D12 H16 C17 L22 W63 A67 I225 L228L11-L14 HydrophobicContact CB-CD1 4.26Å; L11-L14 HydrophobicContact CD2-CD1 4.3Å; L11-L14 VanDerWaalsContact O-CB 3.23Å; L11-L14 WeakPolarHBondContact O-CB 3.23Å; L11-L14 VanDerWaalsContact O-CG 3.27Å; L11-L14 WeakPolarHBondContact O-CG 3.46Å; L11-L14 PolarHBondContact O-N 3.22Å; D12-L14 PolarHBondContact O-N 2.9Å; D12-L14 VanDerWaalsContact O-N 3.11Å; L14-H16 PolarHBondContact O-N 3.26Å; L14-H16 VanDerWaalsContact O-N 3.16Å; L14-C17 WeakPolarHBondContact O-CB 3.41Å; L14-C17 PolarHBondContact O-N 2.93Å; L14-C17 VanDerWaalsContact O-N 3.08Å; L14-L22 HydrophobicContact CB-CD2 4.25Å; L14-L22 HydrophobicContact CD2-CD2 4.06Å; L14-W63 HydrophobicContact CB-CB 4.46Å; L14-W63 HydrophobicContact CB-CD2 4.37Å; L14-W63 HydrophobicContact CB-CE3 3.74Å; L14-W63 HydrophobicContact CB-CZ3 4.4Å; L14-W63 HydrophobicContact CD1-CE3 4.43Å; L14-A67 HydrophobicContact CD1-CB 4Å; L14-I225 HydrophobicContact CD1-CD1 4.15Å; L14-I225 HydrophobicContact CD2-CD1 3.78Å; L14-I225 HydrophobicContact CG-CD1 4.36Å; L14-L228 HydrophobicContact CD2-CD1 4.36Å
15Q95.8Very high93.9Very high89 Ų8947.2 Ų47.242%0.41625%0.251SS..G310 helixtrans-62.5-20.1175.281.7-170.6-80.500113.2D12 F13 W63D12-Q15 WeakPolarHBondContact O-CG 2.75Å; D12-Q15 PolarHBondContact O-N 3.46Å; D12-Q15 PolarHBondContact O-NE2 2.75Å; F13-Q15 PolarHBondContact O-N 3.33Å; Q15-W63 HydrophobicContact CB-CD2 4.17Å; Q15-W63 HydrophobicContact CB-CG 4.29Å; Q15-W63 HydrophobicContact CB-CZ2 4.17Å
16H95.2Very high94.1Very high104 Ų10445.6 Ų45.648%0.48125%0.245SC..G310 helixtrans-98.6-1178.7-53.9-57.9000113.2F13 L14 V232 Q236F13-H16 WeakPolarHBondContact O-CB 3.24Å; F13-H16 PolarHBondContact O-N 2.63Å; L14-H16 PolarHBondContact O-N 3.26Å; L14-H16 VanDerWaalsContact O-N 3.16Å; H16-V232 HydrophobicContact CB-CG1 3.75Å; H16-Q236 PolarHBondContact CD2-NE2 2.83Å
17C94.2Very high94.2Very high3 Ų350.2 Ų50.22%0.0226%0.26CS..SBendtrans-72.5151.1173.1-68.60000110.7L14 Q21 L22L14-C17 WeakPolarHBondContact O-CB 3.41Å; L14-C17 PolarHBondContact O-N 2.93Å; L14-C17 VanDerWaalsContact O-N 3.08Å; C17-Q21 HydrophobicContact CB-CB 4.13Å; C17-L22 HydrophobicContact CB-CD1 4.17Å; C17-L22 HydrophobicContact CB-CD2 3.88Å; C17-L22 HydrophobicContact CB-CG 3.69Å
18S93Very high93.9Very high49 Ų4945.1 Ų45.134%0.34323%0.232SC..  trans-68.1159.7172.6750000111.3E20 Q21 L22S18-E20 VanDerWaalsContact C-N 3.25Å; S18-E20 PolarHBondContact O-N 2.83Å; S18-Q21 PolarHBondContact O-N 3.46Å; S18-Q21 VanDerWaalsContact OG-CG 3.31Å; S18-Q21 WeakPolarHBondContact OG-CG 3.38Å; S18-Q21 PolarHBondContact OG-N 2.87Å; S18-Q21 PolarHBondContact OG-OE1 3.43Å; S18-L22 PolarHBondContact O-N 2.82Å
19E94.6Very high93.6Very high47 Ų4744.7 Ų44.722%0.2223%0.23CC..Hα-helixtrans-53.9-44.7173.7-179.566.3-167.400111.4Q21 L22 A23 P56 E57 Q58 H59 R60E19-Q21 PolarHBondContact O-N 3.35Å; E19-L22 PolarHBondContact O-N 3.02Å; E19-A23 VanDerWaalsContact O-CB 3.24Å; E19-A23 WeakPolarHBondContact O-CB 2.91Å; E19-A23 PolarHBondContact O-N 3.24Å; E19-P56 WeakPolarHBondContact CG-O 3.26Å; E19-E57 VanDerWaalsContact OE2-C 3.25Å; E19-E57 WeakPolarHBondContact OE2-CA 3.43Å; E19-Q58 PolarHBondContact OE1-N 3.43Å; E19-H59 WeakPolarHBondContact OE1-CB 3.4Å; E19-H59 IonicContact OE1-CE1 4Å; E19-H59 IonicContact OE1-CG 3.38Å; E19-H59 PolarHBondContact OE1-N 2.96Å; E19-H59 IonicContact OE1-ND1 2.59Å; E19-H59 PolarHBondContact OE1-ND1 3.33Å; E19-H59 PolarHBondContact OE2-N 2.81Å; E19-H59 VanDerWaalsContact OE2-N 3.14Å; E19-R60 WeakPolarHBondContact OE2-CB 3.11Å; E19-R60 PolarHBondContact OE2-N 3Å
20E92.5Very high93.4Very high129 Ų12940.3 Ų40.360%0.60320%0.199SC*.Hα-helixtrans-61.9-43.9179.2-172.4-168.2164.100112.2S18 L22 A23 N24S18-E20 VanDerWaalsContact C-N 3.25Å; S18-E20 PolarHBondContact O-N 2.83Å; E20-L22 PolarHBondContact O-N 2.84Å; E20-A23 PolarHBondContact O-N 2.68Å; E20-N24 WeakPolarHBondContact O-CB 3.5Å; E20-N24 VanDerWaalsContact O-CG 3.29Å; E20-N24 PolarHBondContact O-N 3.1Å; E20-N24 PolarHBondContact O-ND2 3Å
21Q92.3Very high92.9Very high30 Ų3040.3 Ų40.314%0.1420%0.198CC..Hα-helixtrans-61.3-45.9177.8-77.6172.3-34.400111.5C17 S18 E19 F25 L228C17-Q21 HydrophobicContact CB-CB 4.13Å; S18-Q21 PolarHBondContact O-N 3.46Å; S18-Q21 VanDerWaalsContact OG-CG 3.31Å; S18-Q21 WeakPolarHBondContact OG-CG 3.38Å; S18-Q21 PolarHBondContact OG-N 2.87Å; S18-Q21 PolarHBondContact OG-OE1 3.43Å; E19-Q21 PolarHBondContact O-N 3.35Å; Q21-F25 WeakPolarHBondContact O-CB 3.47Å; Q21-F25 PolarHBondContact O-N 3.3Å; Q21-L228 HydrophobicContact CB-CD2 3.67Å; Q21-L228 HydrophobicContact CG-CD2 3.67Å
22L95.6Very high92.2Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-70.7-34.7178.7-68.2172.2000112L14 C17 S18 E19 E20 F25 A26 H59 R60 W63 I66L14-L22 HydrophobicContact CB-CD2 4.25Å; L14-L22 HydrophobicContact CD2-CD2 4.06Å; C17-L22 HydrophobicContact CB-CD1 4.17Å; C17-L22 HydrophobicContact CB-CD2 3.88Å; C17-L22 HydrophobicContact CB-CG 3.69Å; S18-L22 PolarHBondContact O-N 2.82Å; E19-L22 PolarHBondContact O-N 3.02Å; E20-L22 PolarHBondContact O-N 2.84Å; L22-F25 PolarHBondContact O-N 2.94Å; L22-A26 VanDerWaalsContact O-CB 3.25Å; L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 2.95Å; L22-H59 HydrophobicContact CB-CB 3.61Å; L22-R60 HydrophobicContact CD1-CB 4.21Å; L22-R60 HydrophobicContact CD1-CG 4.4Å; L22-W63 HydrophobicContact CD1-CB 4.08Å; L22-W63 HydrophobicContact CD2-CB 4.47Å; L22-I66 HydrophobicContact CB-CD1 4.07Å
23A93.8Very high91.1Very high26 Ų2645.6 Ų45.622%0.21522%0.222CC..Hα-helixtrans-63.8-4617400000111.7E19 E20 F25 A26 R27 H59E19-A23 VanDerWaalsContact O-CB 3.24Å; E19-A23 WeakPolarHBondContact O-CB 2.91Å; E19-A23 PolarHBondContact O-N 3.24Å; E20-A23 PolarHBondContact O-N 2.68Å; A23-F25 VanDerWaalsContact C-N 3.33Å; A23-F25 PolarHBondContact O-N 2.98Å; A23-A26 PolarHBondContact O-N 3.34Å; A23-R27 VanDerWaalsContact O-CB 3.31Å; A23-R27 WeakPolarHBondContact O-CB 3.48Å; A23-R27 PolarHBondContact O-N 3.27Å; A23-H59 VanDerWaalsContact CA-CD2 3.48Å; A23-H59 WeakPolarHBondContact CA-CD2 3.25Å
24N91Very high90.2Very high76 Ų7653.2 Ų53.241%0.40626%0.256SS..Hα-helixtrans-62.2-42.1175.5-74.1-27.8000111.5E20 R27 L28E20-N24 WeakPolarHBondContact O-CB 3.5Å; E20-N24 VanDerWaalsContact O-CG 3.29Å; E20-N24 PolarHBondContact O-N 3.1Å; E20-N24 PolarHBondContact O-ND2 3Å; N24-R27 PolarHBondContact O-N 3.21Å; N24-L28 PolarHBondContact O-N 2.86Å
25F92.9Very high89.3Confident0 Ų054.9 Ų54.90%027%0.272CS..Hα-helixtrans-67.3-45177-176.9-128.3000112.7Q21 L22 A23 R27 L28 L29 I66 L70 A221 Q224 I225 L228Q21-F25 WeakPolarHBondContact O-CB 3.47Å; Q21-F25 PolarHBondContact O-N 3.3Å; L22-F25 PolarHBondContact O-N 2.94Å; A23-F25 VanDerWaalsContact C-N 3.33Å; A23-F25 PolarHBondContact O-N 2.98Å; F25-R27 VanDerWaalsContact C-N 3.29Å; F25-R27 PolarHBondContact O-N 3.23Å; F25-L28 HydrophobicContact CD2-CD2 4.26Å; F25-L28 WeakPolarHBondContact O-CB 3.25Å; F25-L28 PolarHBondContact O-N 3.23Å; F25-L28 VanDerWaalsContact O-N 3.17Å; F25-L29 HydrophobicContact CD1-CD1 4.31Å; F25-L29 HydrophobicContact CE1-CD1 3.82Å; F25-L29 HydrophobicContact CE2-CD1 4.23Å; F25-L29 HydrophobicContact CE2-CD2 4.22Å; F25-L29 HydrophobicContact CE2-CG 4.15Å; F25-L29 HydrophobicContact CZ-CD1 3.77Å; F25-L29 HydrophobicContact CZ-CD2 4.23Å; F25-L29 HydrophobicContact CZ-CG 4.16Å; F25-L29 WeakPolarHBondContact O-CG 3.35Å; F25-L29 PolarHBondContact O-N 3.35Å; F25-L29 VanDerWaalsContact O-N 3.11Å; F25-I66 HydrophobicContact CD1-CG2 3.54Å; F25-I66 HydrophobicContact CE1-CG2 3.86Å; F25-L70 HydrophobicContact CZ-CB 4.33Å; F25-L70 HydrophobicContact CZ-CD2 4.1Å; F25-A221 HydrophobicContact CE2-CB 3.84Å; F25-A221 HydrophobicContact CZ-CB 4.39Å; F25-Q224 HydrophobicContact CB-CG 4.44Å; F25-Q224 HydrophobicContact CD2-CB 4.1Å; F25-Q224 HydrophobicContact CD2-CG 3.64Å; F25-Q224 HydrophobicContact CE2-CB 4.34Å; F25-Q224 HydrophobicContact CE2-CG 4.35Å; F25-Q224 HydrophobicContact CG-CG 4.38Å; F25-I225 HydrophobicContact CD1-CD1 4.34Å; F25-I225 HydrophobicContact CE1-CD1 3.64Å; F25-I225 HydrophobicContact CE1-CG1 4.35Å; F25-I225 HydrophobicContact CE2-CD1 4.17Å; F25-I225 HydrophobicContact CE2-CG1 4.09Å; F25-I225 HydrophobicContact CZ-CD1 3.55Å; F25-I225 HydrophobicContact CZ-CG1 3.74Å; F25-L228 HydrophobicContact CB-CD1 4.22Å; F25-L228 HydrophobicContact CG-CD1 4.38Å
26A93.1Very high88.8Confident2 Ų257.4 Ų57.42%0.01728%0.282CS..Hα-helixtrans-59.1-42.9174.300000110.9L22 A23 L28 L29 T30 L43 I66L22-A26 VanDerWaalsContact O-CB 3.25Å; L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 2.95Å; A23-A26 PolarHBondContact O-N 3.34Å; A26-L28 VanDerWaalsContact C-N 3.34Å; A26-L28 PolarHBondContact O-N 2.79Å; A26-L29 PolarHBondContact O-N 3.41Å; A26-T30 WeakPolarHBondContact O-CB 3.43Å; A26-T30 VanDerWaalsContact O-CG2 3.27Å; A26-T30 WeakPolarHBondContact O-CG2 3.41Å; A26-T30 PolarHBondContact O-N 3.39Å; A26-T30 PolarHBondContact O-OG1 2.83Å; A26-L43 HydrophobicContact CB-CD2 4.21Å; A26-I66 HydrophobicContact CB-CD1 4.03Å; A26-I66 HydrophobicContact CB-CG1 4.06Å; A26-I66 HydrophobicContact CB-CG2 4.18Å
27R90.9Very high88.3Confident138 Ų13855.9 Ų55.952%0.52128%0.28SS..Hα-helixtrans-60.7-42.2175.9-173.4178.3179.987.1-2.5111.9A23 N24 F25 L29 T30 H31A23-R27 VanDerWaalsContact O-CB 3.31Å; A23-R27 WeakPolarHBondContact O-CB 3.48Å; A23-R27 PolarHBondContact O-N 3.27Å; N24-R27 PolarHBondContact O-N 3.21Å; F25-R27 VanDerWaalsContact C-N 3.29Å; F25-R27 PolarHBondContact O-N 3.23Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.98Å; R27-T30 PolarHBondContact O-N 2.85Å; R27-H31 HydrophobicContact CG-CB 4.14Å; R27-H31 WeakPolarHBondContact O-CA 3.44Å; R27-H31 WeakPolarHBondContact O-CB 3.35Å; R27-H31 PolarHBondContact O-N 3.18Å
28L86.9Confident87.8Confident30 Ų3058.2 Ų58.216%0.15729%0.289CS..Hα-helixtrans-57.3-44.4175.8-179.169.5000111.8N24 F25 A26 P220 A221 Q224N24-L28 PolarHBondContact O-N 2.86Å; F25-L28 HydrophobicContact CD2-CD2 4.26Å; F25-L28 WeakPolarHBondContact O-CB 3.25Å; F25-L28 PolarHBondContact O-N 3.23Å; F25-L28 VanDerWaalsContact O-N 3.17Å; A26-L28 VanDerWaalsContact C-N 3.34Å; A26-L28 PolarHBondContact O-N 2.79Å; L28-P220 HydrophobicContact CD1-CB 3.9Å; L28-P220 HydrophobicContact CD2-CB 4.06Å; L28-P220 HydrophobicContact CG-CB 4.34Å; L28-A221 HydrophobicContact CD2-CB 4.42Å; L28-Q224 HydrophobicContact CD2-CB 3.88Å; L28-Q224 HydrophobicContact CD2-CG 4.21Å
29L88.3Confident86.9Confident0 Ų063.2 Ų63.20%031%0.31CS..Hα-helixtrans-70.1-39.3178.9-64.1175.4000112.5F25 A26 R27 R38 I66 E69 L70 F73 V217 A221F25-L29 HydrophobicContact CD1-CD1 4.31Å; F25-L29 HydrophobicContact CE1-CD1 3.82Å; F25-L29 HydrophobicContact CE2-CD1 4.23Å; F25-L29 HydrophobicContact CE2-CD2 4.22Å; F25-L29 HydrophobicContact CE2-CG 4.15Å; F25-L29 HydrophobicContact CZ-CD1 3.77Å; F25-L29 HydrophobicContact CZ-CD2 4.23Å; F25-L29 HydrophobicContact CZ-CG 4.16Å; F25-L29 WeakPolarHBondContact O-CG 3.35Å; F25-L29 PolarHBondContact O-N 3.35Å; F25-L29 VanDerWaalsContact O-N 3.11Å; A26-L29 PolarHBondContact O-N 3.41Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.98Å; L29-R38 VanDerWaalsContact O-CD 3.28Å; L29-R38 WeakPolarHBondContact O-CD 3.27Å; L29-I66 HydrophobicContact CD1-CG2 4.03Å; L29-I66 WeakPolarHBondContact CD1-O 3.3Å; L29-E69 HydrophobicContact CB-CG 3.99Å; L29-E69 HydrophobicContact CD1-CB 4.21Å; L29-E69 HydrophobicContact CD1-CG 4.19Å; L29-L70 HydrophobicContact CD1-CB 4.12Å; L29-L70 HydrophobicContact CD2-CB 4.25Å; L29-L70 HydrophobicContact CD2-CD1 4.21Å; L29-F73 HydrophobicContact CB-CE2 4.43Å; L29-F73 HydrophobicContact CD2-CD2 4.38Å; L29-F73 WeakPolarHBondContact O-CE2 3.3Å; L29-F73 WeakPolarHBondContact O-CZ 3.46Å; L29-V217 HydrophobicContact CD2-CG1 3.87Å; L29-A221 HydrophobicContact CD2-CB 3.68Å
30T88.9Confident86.1Confident3 Ų363.9 Ų63.92%0.01832%0.32CS..Hα-helixtrans-99.6-20.2-166.757.60000114.4A26 R27 T37 R38 S41 L43 M44 E69A26-T30 WeakPolarHBondContact O-CB 3.43Å; A26-T30 VanDerWaalsContact O-CG2 3.27Å; A26-T30 WeakPolarHBondContact O-CG2 3.41Å; A26-T30 PolarHBondContact O-N 3.39Å; A26-T30 PolarHBondContact O-OG1 2.83Å; R27-T30 PolarHBondContact O-N 2.85Å; T30-T37 CarbonylContact O-C 3.58Å; T30-T37 WeakPolarHBondContact O-CA 3.49Å; T30-R38 WeakPolarHBondContact O-CB 3.27Å; T30-R38 WeakPolarHBondContact O-CG 3.37Å; T30-R38 PolarHBondContact O-N 3.38Å; T30-S41 VanDerWaalsContact CG2-OG 3.32Å; T30-S41 WeakPolarHBondContact CG2-OG 3.47Å; T30-L43 HydrophobicContact CG2-CB 4.04Å; T30-L43 HydrophobicContact CG2-CD2 3.82Å; T30-L43 HydrophobicContact CG2-CG 4.37Å; T30-M44 HydrophobicContact CG2-CG 3.85Å; T30-M44 HydrophobicContact CG2-SD 4.09Å; T30-E69 HydrophobicContact CG2-CG 4.47Å
31H86.9Confident85.6Confident35 Ų3557.8 Ų57.816%0.16229%0.292CS..BIsolated β-bridgetrans-118146.2-176-6473.2000111.9R27 G35 K36 R38R27-H31 HydrophobicContact CG-CB 4.14Å; R27-H31 WeakPolarHBondContact O-CA 3.44Å; R27-H31 WeakPolarHBondContact O-CB 3.35Å; R27-H31 PolarHBondContact O-N 3.18Å; H31-G35 PolarHBondContact CD2-O 3.17Å; H31-K36 WeakPolarHBondContact CA-O 3.36Å; H31-R38 PolarHBondContact O-NE 3.09Å; H31-R38 PolarHBondContact O-NH2 2.59Å
32N81Confident85.4Confident57 Ų5757 Ų5731%0.30529%0.289SS..  trans-86178.4172.870.721.1000111.8K34 G35 K36 R38N32-K34 PolarHBondContact O-N 2.63Å; N32-K34 VanDerWaalsContact O-N 3.14Å; N32-K34 WeakPolarHBondContact OD1-CA 3.46Å; N32-K34 WeakPolarHBondContact OD1-CB 3.2Å; N32-K34 PolarHBondContact OD1-N 3.43Å; N32-G35 PolarHBondContact O-N 3.17Å; N32-G35 PolarHBondContact OD1-N 3.1Å; N32-K36 PolarHBondContact N-O 3.44Å; N32-K36 PolarHBondContact OD1-N 3.29Å; N32-K36 PolarHBondContact OD1-O 3.12Å; N32-R38 HydrophobicContact CB-CG 4.42Å
33E72.9Confident85.1Confident117 Ų11757 Ų5755%0.54729%0.289SS..THydrogen-bonded Turntrans-61.1-24.4-178.3-64.4165.3-153.500114G35 R178E33-G35 VanDerWaalsContact C-N 3.27Å; E33-R178 VanDerWaalsContact CA-NH2 3.32Å; E33-R178 PolarHBondContact O-NH2 3.42Å; E33-R178 VanDerWaalsContact O-NH2 3.12Å
34K76.8Confident84.8Confident183 Ų18358.8 Ų58.880%0.79629%0.294SS*.THydrogen-bonded Turntrans-86.86.5176.1-58.3-174.9177.4-174.50112.8N32 K36N32-K34 PolarHBondContact O-N 2.63Å; N32-K34 VanDerWaalsContact O-N 3.14Å; N32-K34 WeakPolarHBondContact OD1-CA 3.46Å; N32-K34 WeakPolarHBondContact OD1-CB 3.2Å; N32-K34 PolarHBondContact OD1-N 3.43Å; K34-K36 PolarHBondContact O-N 2.93Å
35G79.1Confident84.7Confident34 Ų3460.8 Ų60.835%0.35130%0.296SS..SBendtrans71.112.3-177.700000114.4H31 N32 E33H31-G35 PolarHBondContact CD2-O 3.17Å; N32-G35 PolarHBondContact O-N 3.17Å; N32-G35 PolarHBondContact OD1-N 3.1Å; E33-G35 VanDerWaalsContact C-N 3.27Å
36K84.7Confident84.6Confident143 Ų14361 Ų6162%0.62230%0.297SS*.PPolyproline II helixtrans-88.4142.6174.5-61.4-170.9177-170.30110.4H31 N32 K34 R38H31-K36 WeakPolarHBondContact CA-O 3.36Å; N32-K36 PolarHBondContact N-O 3.44Å; N32-K36 PolarHBondContact OD1-N 3.29Å; N32-K36 PolarHBondContact OD1-O 3.12Å; K34-K36 PolarHBondContact O-N 2.93Å; K36-R38 PolarHBondContact O-N 3.07Å
37T85.6Confident84.5Confident72 Ų7267.6 Ų67.644%0.44233%0.327SS..BIsolated β-bridgetrans-56.7135171.9-49.70000110.8T30 M44T30-T37 CarbonylContact O-C 3.58Å; T30-T37 WeakPolarHBondContact O-CA 3.49Å; T37-M44 HydrophobicContact CG2-CB 3.86Å; T37-M44 HydrophobicContact CG2-CG 3.7Å
38R82.1Confident84.5Confident52 Ų5265.7 Ų65.720%0.19633%0.327CS..PPolyproline II helixtrans-72.5134176.1-65.1179.4-169.8-90.40.8109.1L29 T30 H31 N32 K36 S40 S41 V217L29-R38 VanDerWaalsContact O-CD 3.28Å; L29-R38 WeakPolarHBondContact O-CD 3.27Å; T30-R38 WeakPolarHBondContact O-CB 3.27Å; T30-R38 WeakPolarHBondContact O-CG 3.37Å; T30-R38 PolarHBondContact O-N 3.38Å; H31-R38 PolarHBondContact O-NE 3.09Å; H31-R38 PolarHBondContact O-NH2 2.59Å; N32-R38 HydrophobicContact CB-CG 4.42Å; K36-R38 PolarHBondContact O-N 3.07Å; R38-S40 PolarHBondContact O-N 2.85Å; R38-S40 VanDerWaalsContact O-N 3.14Å; R38-S41 VanDerWaalsContact O-CB 3.31Å; R38-S41 WeakPolarHBondContact O-CB 3.38Å; R38-S41 PolarHBondContact O-N 2.88Å; R38-V217 VanDerWaalsContact CZ-CG2 3.41Å
39L75.3Confident84.8Confident153 Ų15364.7 Ų64.780%0.80132%0.322SS*.THydrogen-bonded Turntrans-58.5-29.1177.5-66176.1000112.9S41 R45L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.04Å; L39-R45 PolarHBondContact O-NH1 2.95Å; L39-R45 PolarHBondContact O-NH2 2.94Å
40S76.7Confident85Confident61 Ų6168.9 Ų68.943%0.42734%0.34SS..THydrogen-bonded Turntrans-76.8-8.1177.159.30000113.9R38 V42 F73R38-S40 PolarHBondContact O-N 2.85Å; R38-S40 VanDerWaalsContact O-N 3.14Å; S40-V42 PolarHBondContact O-N 3.33Å; S40-F73 WeakPolarHBondContact OG-CE1 3.18Å; S40-F73 WeakPolarHBondContact OG-CZ 3.33Å
41S83.6Confident85.3Confident1 Ų173.1 Ų73.11%0.00737%0.369CS..  trans-70.6124.1-176-175.70000111.4T30 R38 L39 M44 R45 E69T30-S41 VanDerWaalsContact CG2-OG 3.32Å; T30-S41 WeakPolarHBondContact CG2-OG 3.47Å; R38-S41 VanDerWaalsContact O-CB 3.31Å; R38-S41 WeakPolarHBondContact O-CB 3.38Å; R38-S41 PolarHBondContact O-N 2.88Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.04Å; S41-M44 WeakPolarHBondContact OG-CG 3.44Å; S41-M44 PolarHBondContact OG-N 2.97Å; S41-R45 PolarHBondContact O-NH1 3.46Å; S41-E69 WeakPolarHBondContact CA-OE1 3.5Å; S41-E69 VanDerWaalsContact CB-OE1 3.25Å; S41-E69 WeakPolarHBondContact CB-OE1 3.29Å; S41-E69 PolarHBondContact OG-OE1 3.14Å
42V86.3Confident85.6Confident14 Ų1472.8 Ų72.89%0.08537%0.368CS..SBendtrans-95.7-35.2175.2-175.40000109.2M1 V3 S40 M44 R45 N46 E69M1-V42 HydrophobicContact CB-CG1 4.19Å; M1-V42 HydrophobicContact CG-CG1 4.18Å; M1-V42 HydrophobicContact CG-CG2 4.47Å; M1-V42 WeakPolarHBondContact O-CG1 3.41Å; M1-V42 HydrophobicContact SD-CG2 3.92Å; V3-V42 HydrophobicContact CG2-CB 3.89Å; V3-V42 HydrophobicContact CG2-CG1 3.63Å; S40-V42 PolarHBondContact O-N 3.33Å; V42-M44 VanDerWaalsContact C-N 3.32Å; V42-M44 PolarHBondContact O-N 3.19Å; V42-R45 CarbonylContact O-C 3.45Å; V42-R45 WeakPolarHBondContact O-CA 3.41Å; V42-R45 PolarHBondContact O-N 3.28Å; V42-N46 PolarHBondContact O-N 3.47Å; V42-N46 VanDerWaalsContact O-N 3.11Å; V42-E69 PolarHBondContact N-OE1 3.05Å; V42-E69 PolarHBondContact N-OE2 2.94Å
43L89.5Confident86.1Confident0 Ų077.7 Ų77.70%039%0.389CS..G310 helixtrans-51.7-47.7174.9-174.563.8000112.5A26 T30 R45 N46 F49 L65 I66 E69A26-L43 HydrophobicContact CB-CD2 4.21Å; T30-L43 HydrophobicContact CG2-CB 4.04Å; T30-L43 HydrophobicContact CG2-CD2 3.82Å; T30-L43 HydrophobicContact CG2-CG 4.37Å; L43-R45 PolarHBondContact O-N 2.99Å; L43-R45 VanDerWaalsContact O-N 3.08Å; L43-N46 VanDerWaalsContact O-CB 3.29Å; L43-N46 WeakPolarHBondContact O-CB 3.32Å; L43-N46 PolarHBondContact O-N 3.08Å; L43-F49 HydrophobicContact CD1-CB 4.05Å; L43-F49 HydrophobicContact CD1-CD1 4.2Å; L43-F49 HydrophobicContact CD1-CD2 3.68Å; L43-F49 HydrophobicContact CD1-CE2 4.17Å; L43-F49 HydrophobicContact CD1-CG 3.69Å; L43-F49 HydrophobicContact CD2-CE2 4.38Å; L43-F49 HydrophobicContact CD2-CZ 4.3Å; L43-F49 HydrophobicContact CG-CD1 4.07Å; L43-F49 HydrophobicContact CG-CD2 4.25Å; L43-F49 HydrophobicContact CG-CE1 4.22Å; L43-F49 HydrophobicContact CG-CE2 4.4Å; L43-F49 HydrophobicContact CG-CG 4.08Å; L43-F49 HydrophobicContact CG-CZ 4.39Å; L43-L65 HydrophobicContact CD1-CB 3.54Å; L43-I66 HydrophobicContact CD2-CG1 3.98Å; L43-E69 HydrophobicContact CB-CB 4.16Å; L43-E69 HydrophobicContact CB-CG 4.08Å; L43-E69 PolarHBondContact N-OE2 2.86Å
44M89.3Confident87Confident63 Ų6375.6 Ų75.631%0.3140%0.399SS..G310 helixtrans-69.3-7.6179.5-61.4-53.7-60.300114T30 T37 S41 V42 F49 K50T30-M44 HydrophobicContact CG2-CG 3.85Å; T30-M44 HydrophobicContact CG2-SD 4.09Å; T37-M44 HydrophobicContact CG2-CB 3.86Å; T37-M44 HydrophobicContact CG2-CG 3.7Å; S41-M44 WeakPolarHBondContact OG-CG 3.44Å; S41-M44 PolarHBondContact OG-N 2.97Å; V42-M44 VanDerWaalsContact C-N 3.32Å; V42-M44 PolarHBondContact O-N 3.19Å; M44-F49 HydrophobicContact SD-CE1 4.22Å; M44-K50 WeakPolarHBondContact O-CE 3.48Å
45R87.9Confident87.8Confident118 Ų11870.1 Ų70.145%0.44538%0.377SS..G310 helixtrans-110.73.3174.4-58-175.4-176.7113-9.2112.3L39 S41 V42 L43L39-R45 PolarHBondContact O-NH1 2.95Å; L39-R45 PolarHBondContact O-NH2 2.94Å; S41-R45 PolarHBondContact O-NH1 3.46Å; V42-R45 CarbonylContact O-C 3.45Å; V42-R45 WeakPolarHBondContact O-CA 3.41Å; V42-R45 PolarHBondContact O-N 3.28Å; L43-R45 PolarHBondContact O-N 2.99Å; L43-R45 VanDerWaalsContact O-N 3.08Å
46N90.4Very high88.5Confident6 Ų673.5 Ų73.53%0.03239%0.392CS..  trans-81.2125.7-178.8-176.4-79.4000110.3N2 V3 V42 L43 L48 F49 K50 L65N2-N46 PolarHBondContact OD1-ND2 2.95Å; V3-N46 HydrophobicContact CG2-CB 4.48Å; V42-N46 PolarHBondContact O-N 3.47Å; V42-N46 VanDerWaalsContact O-N 3.11Å; L43-N46 VanDerWaalsContact O-CB 3.29Å; L43-N46 WeakPolarHBondContact O-CB 3.32Å; L43-N46 PolarHBondContact O-N 3.08Å; N46-L48 PolarHBondContact O-N 2.83Å; N46-L48 WeakPolarHBondContact OD1-CA 3.21Å; N46-L48 WeakPolarHBondContact OD1-CB 3Å; N46-L48 PolarHBondContact OD1-N 3.28Å; N46-F49 HydrophobicContact CB-CB 4.02Å; N46-F49 PolarHBondContact O-N 3.49Å; N46-F49 PolarHBondContact OD1-N 2.79Å; N46-K50 WeakPolarHBondContact O-CB 3.42Å; N46-K50 WeakPolarHBondContact O-CG 3.39Å; N46-K50 PolarHBondContact O-N 2.85Å; N46-L65 WeakPolarHBondContact OD1-CD1 3.22Å
47E91.4Very high89Confident139 Ų13969 Ų6965%0.6537%0.374SS*.Hα-helixtrans-66.4-34.5-175.6-61.2-54.513900113.1K50 S51E47-K50 PolarHBondContact O-N 3.37Å; E47-S51 WeakPolarHBondContact O-CB 3.36Å; E47-S51 PolarHBondContact O-N 2.8Å; E47-S51 PolarHBondContact O-OG 3.38Å
48L91.7Very high89.5Confident99 Ų9966.8 Ų66.852%0.51836%0.358SS..Hα-helixtrans-69.5-41.3176178.863.5000111.5N46 K50 S51 L65N46-L48 PolarHBondContact O-N 2.83Å; N46-L48 WeakPolarHBondContact OD1-CA 3.21Å; N46-L48 WeakPolarHBondContact OD1-CB 3Å; N46-L48 PolarHBondContact OD1-N 3.28Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 2.89Å; L48-S51 PolarHBondContact O-OG 3.16Å; L48-L65 HydrophobicContact CB-CD1 4.35Å; L48-L65 HydrophobicContact CD2-CD1 4.22Å; L48-L65 HydrophobicContact CG-CD1 4.35Å
49F92.8Very high90.2Very high9 Ų965.8 Ų65.84%0.03936%0.355CS..Hα-helixtrans-65.6-38.4176.1-170.5-101.7000111.9L43 M44 N46 Q58 H59 N62 L65L43-F49 HydrophobicContact CD1-CB 4.05Å; L43-F49 HydrophobicContact CD1-CD1 4.2Å; L43-F49 HydrophobicContact CD1-CD2 3.68Å; L43-F49 HydrophobicContact CD1-CE2 4.17Å; L43-F49 HydrophobicContact CD1-CG 3.69Å; L43-F49 HydrophobicContact CD2-CE2 4.38Å; L43-F49 HydrophobicContact CD2-CZ 4.3Å; L43-F49 HydrophobicContact CG-CD1 4.07Å; L43-F49 HydrophobicContact CG-CD2 4.25Å; L43-F49 HydrophobicContact CG-CE1 4.22Å; L43-F49 HydrophobicContact CG-CE2 4.4Å; L43-F49 HydrophobicContact CG-CG 4.08Å; L43-F49 HydrophobicContact CG-CZ 4.39Å; M44-F49 HydrophobicContact SD-CE1 4.22Å; N46-F49 HydrophobicContact CB-CB 4.02Å; N46-F49 PolarHBondContact O-N 3.49Å; N46-F49 PolarHBondContact OD1-N 2.79Å; F49-Q58 HydrophobicContact CE2-CG 4.06Å; F49-Q58 HydrophobicContact CZ-CG 4.23Å; F49-Q58 PolarHBondContact O-NE2 2.75Å; F49-H59 AromaticContact CZ-CD2 3.85Å; F49-H59 AromaticContact CZ-NE2 3.73Å; F49-N62 HydrophobicContact CD2-CB 3.8Å; F49-N62 HydrophobicContact CE2-CB 4.27Å; F49-L65 HydrophobicContact CB-CD1 4Å
50K92.4Very high91.1Very high88 Ų8863.8 Ų63.838%0.38334%0.337SS..Hα-helixtrans-70.9-37.9176.9-76.2178.5175.5178.80113.7M44 N46 E47 L48 M52 E53M44-K50 WeakPolarHBondContact O-CE 3.48Å; N46-K50 WeakPolarHBondContact O-CB 3.42Å; N46-K50 WeakPolarHBondContact O-CG 3.39Å; N46-K50 PolarHBondContact O-N 2.85Å; E47-K50 PolarHBondContact O-N 3.37Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 2.89Å; K50-M52 PolarHBondContact O-N 3.44Å; K50-M52 VanDerWaalsContact O-N 3.1Å; K50-E53 WeakPolarHBondContact O-CB 3.47Å; K50-E53 PolarHBondContact O-N 3.27Å
51S94Very high92Very high91 Ų9167.9 Ų67.964%0.63634%0.343SS*.Hα-helixtrans-63.7-17.4179.269.70000112.9E47 L48E47-S51 WeakPolarHBondContact O-CB 3.36Å; E47-S51 PolarHBondContact O-N 2.8Å; E47-S51 PolarHBondContact O-OG 3.38Å; L48-S51 PolarHBondContact O-OG 3.16Å
52M93.6Very high92.6Very high28 Ų2868.1 Ų68.114%0.13835%0.345CS..THydrogen-bonded Turntrans-96.28.4174.5-74.4-157.966.900114.2K50 G54 H55 Q58 R61 N62K50-M52 PolarHBondContact O-N 3.44Å; K50-M52 VanDerWaalsContact O-N 3.1Å; M52-G54 PolarHBondContact O-N 3.25Å; M52-H55 HydrophobicContact CB-CB 4.4Å; M52-H55 HydrophobicContact CE-CB 3.84Å; M52-H55 VanDerWaalsContact CE-ND1 3.32Å; M52-H55 WeakPolarHBondContact CE-ND1 3.31Å; M52-H55 WeakPolarHBondContact O-CB 3.26Å; M52-H55 PolarHBondContact O-N 3.01Å; M52-Q58 HydrophobicContact CB-CB 4.31Å; M52-Q58 HydrophobicContact CB-CG 3.87Å; M52-Q58 WeakPolarHBondContact O-CG 3.3Å; M52-R61 HydrophobicContact CE-CB 3.97Å; M52-R61 HydrophobicContact CE-CG 4.19Å; M52-R61 HydrophobicContact SD-CB 3.99Å; M52-N62 PolarHBondContact SD-ND2 2.91Å
53E92Very high93.1Very high160 Ų16068.9 Ų68.975%0.74835%0.346SS*.THydrogen-bonded Turntrans-56.8126.2178-174.1168-162.500111.2K50 H55K50-E53 WeakPolarHBondContact O-CB 3.47Å; K50-E53 PolarHBondContact O-N 3.27Å; E53-H55 VanDerWaalsContact C-N 3.3Å; E53-H55 PolarHBondContact O-N 3.42Å
54G91.6Very high93.4Very high74 Ų7473.2 Ų73.276%0.76337%0.366SS*.THydrogen-bonded Turntrans83.5-5.8-176.200000115.3M52M52-G54 PolarHBondContact O-N 3.25Å
55H94.3Very high93.6Very high68 Ų6871.2 Ų71.232%0.31536%0.357SS..  trans-72.2135.2174.7-171.1-82.9000110.7M52 E53 E57 Q58M52-H55 HydrophobicContact CB-CB 4.4Å; M52-H55 HydrophobicContact CE-CB 3.84Å; M52-H55 VanDerWaalsContact CE-ND1 3.32Å; M52-H55 WeakPolarHBondContact CE-ND1 3.31Å; M52-H55 WeakPolarHBondContact O-CB 3.26Å; M52-H55 PolarHBondContact O-N 3.01Å; E53-H55 VanDerWaalsContact C-N 3.3Å; E53-H55 PolarHBondContact O-N 3.42Å; H55-E57 PolarHBondContact ND1-N 3.19Å; H55-E57 PolarHBondContact O-N 3.25Å; H55-Q58 HydrophobicContact CB-CB 4.49Å; H55-Q58 WeakPolarHBondContact O-CB 3.31Å; H55-Q58 PolarHBondContact O-N 2.85Å; H55-Q58 VanDerWaalsContact O-N 3.08Å
56P94.3Very high93.9Very high104 Ų10465.6 Ų65.668%0.67534%0.336SS*.THydrogen-bonded Turntrans-65.9-8.1-175.925.8-36.1000115.4E19E19-P56 WeakPolarHBondContact CG-O 3.26Å
57E94.4Very high94.1Very high50 Ų5065.3 Ų65.323%0.23433%0.334CS..THydrogen-bonded Turntrans-126.123.4178.1-50.7-175.5153.200112.2E19 H55 H59 R60 R61E19-E57 VanDerWaalsContact OE2-C 3.25Å; E19-E57 WeakPolarHBondContact OE2-CA 3.43Å; H55-E57 PolarHBondContact ND1-N 3.19Å; H55-E57 PolarHBondContact O-N 3.25Å; E57-H59 VanDerWaalsContact C-N 3.26Å; E57-H59 PolarHBondContact O-N 3.06Å; E57-R60 PolarHBondContact O-N 3.29Å; E57-R60 IonicContact OE1-CZ 3.42Å; E57-R60 IonicContact OE1-NH1 3.81Å; E57-R60 IonicContact OE1-NH2 2.66Å; E57-R60 PolarHBondContact OE1-NH2 2.77Å; E57-R60 IonicContact OE2-CZ 3.9Å; E57-R60 IonicContact OE2-NH2 2.94Å; E57-R60 PolarHBondContact OE2-NH2 2.92Å; E57-R61 HydrophobicContact CB-CG 4.1Å; E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 WeakPolarHBondContact O-CG 3.39Å; E57-R61 PolarHBondContact O-N 3.03Å; E57-R61 IonicContact OE2-CZ 3.27Å; E57-R61 VanDerWaalsContact OE2-CZ 3.27Å; E57-R61 IonicContact OE2-NE 2.79Å; E57-R61 PolarHBondContact OE2-NE 3.36Å; E57-R61 IonicContact OE2-NH2 3.9Å; E57-R61 PolarHBondContact OE2-NH2 2.81Å
58Q95.7Very high94.2Very high25 Ų2558.7 Ų58.712%0.11730%0.303CS..Hα-helixtrans-50.8-46.5-176.2178178.111.300111.9E19 F49 M52 H55 N62E19-Q58 PolarHBondContact OE1-N 3.43Å; F49-Q58 HydrophobicContact CE2-CG 4.06Å; F49-Q58 HydrophobicContact CZ-CG 4.23Å; F49-Q58 PolarHBondContact O-NE2 2.75Å; M52-Q58 HydrophobicContact CB-CB 4.31Å; M52-Q58 HydrophobicContact CB-CG 3.87Å; M52-Q58 WeakPolarHBondContact O-CG 3.3Å; H55-Q58 HydrophobicContact CB-CB 4.49Å; H55-Q58 WeakPolarHBondContact O-CB 3.31Å; H55-Q58 PolarHBondContact O-N 2.85Å; H55-Q58 VanDerWaalsContact O-N 3.08Å; Q58-N62 VanDerWaalsContact O-CB 3.31Å; Q58-N62 WeakPolarHBondContact O-CB 3.41Å; Q58-N62 PolarHBondContact O-N 2.91Å; Q58-N62 PolarHBondContact O-ND2 3.5Å
59H96.3Very high94.1Very high30 Ų3054 Ų5414%0.13928%0.279CS..Hα-helixtrans-80.5-40.9-175.2-59.582.7000111.5E19 L22 A23 F49 E57 R61 N62 W63 I66E19-H59 WeakPolarHBondContact OE1-CB 3.4Å; E19-H59 IonicContact OE1-CE1 4Å; E19-H59 IonicContact OE1-CG 3.38Å; E19-H59 PolarHBondContact OE1-N 2.96Å; E19-H59 IonicContact OE1-ND1 2.59Å; E19-H59 PolarHBondContact OE1-ND1 3.33Å; E19-H59 PolarHBondContact OE2-N 2.81Å; E19-H59 VanDerWaalsContact OE2-N 3.14Å; L22-H59 HydrophobicContact CB-CB 3.61Å; A23-H59 VanDerWaalsContact CA-CD2 3.48Å; A23-H59 WeakPolarHBondContact CA-CD2 3.25Å; F49-H59 AromaticContact CZ-CD2 3.85Å; F49-H59 AromaticContact CZ-NE2 3.73Å; E57-H59 VanDerWaalsContact C-N 3.26Å; E57-H59 PolarHBondContact O-N 3.06Å; H59-R61 PolarHBondContact O-N 3.33Å; H59-N62 CarbonylContact O-C 3.27Å; H59-N62 VanDerWaalsContact O-C 3.27Å; H59-N62 PolarHBondContact O-N 3.02Å; H59-N62 VanDerWaalsContact O-N 3.16Å; H59-W63 PolarHBondContact O-N 3.16Å; H59-I66 HydrophobicContact CB-CD1 3.77Å
60R95.9Very high94Very high112 Ų11253.6 Ų53.642%0.42328%0.277SS..Hα-helixtrans-62.1-43.1178.6-163.8-172.270.3-179-0.7112.3E19 L22 E57 N62E19-R60 WeakPolarHBondContact OE2-CB 3.11Å; E19-R60 PolarHBondContact OE2-N 3Å; L22-R60 HydrophobicContact CD1-CB 4.21Å; L22-R60 HydrophobicContact CD1-CG 4.4Å; E57-R60 PolarHBondContact O-N 3.29Å; E57-R60 IonicContact OE1-CZ 3.42Å; E57-R60 IonicContact OE1-NH1 3.81Å; E57-R60 IonicContact OE1-NH2 2.66Å; E57-R60 PolarHBondContact OE1-NH2 2.77Å; E57-R60 IonicContact OE2-CZ 3.9Å; E57-R60 IonicContact OE2-NH2 2.94Å; E57-R60 PolarHBondContact OE2-NH2 2.92Å; R60-N62 VanDerWaalsContact C-N 3.26Å; R60-N62 PolarHBondContact O-N 3.32Å
61R94.9Very high93.8Very high146 Ų14649.4 Ų49.455%0.55126%0.259SS*.Hα-helixtrans-71.4-22.6177.3-65.5-168.5-172.5-171.3-0.7113M52 E57 H59M52-R61 HydrophobicContact CE-CB 3.97Å; M52-R61 HydrophobicContact CE-CG 4.19Å; M52-R61 HydrophobicContact SD-CB 3.99Å; E57-R61 HydrophobicContact CB-CG 4.1Å; E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 WeakPolarHBondContact O-CG 3.39Å; E57-R61 PolarHBondContact O-N 3.03Å; E57-R61 IonicContact OE2-CZ 3.27Å; E57-R61 VanDerWaalsContact OE2-CZ 3.27Å; E57-R61 IonicContact OE2-NE 2.79Å; E57-R61 PolarHBondContact OE2-NE 3.36Å; E57-R61 IonicContact OE2-NH2 3.9Å; E57-R61 PolarHBondContact OE2-NH2 2.81Å; H59-R61 PolarHBondContact O-N 3.33Å
62N95.5Very high93.3Very high7 Ų747 Ų474%0.03724%0.237CC..THydrogen-bonded Turntrans-109.925.4-179.5-67.4-63000113.2F49 M52 Q58 H59 R60 Q64 L65 I66F49-N62 HydrophobicContact CD2-CB 3.8Å; F49-N62 HydrophobicContact CE2-CB 4.27Å; M52-N62 PolarHBondContact SD-ND2 2.91Å; Q58-N62 VanDerWaalsContact O-CB 3.31Å; Q58-N62 WeakPolarHBondContact O-CB 3.41Å; Q58-N62 PolarHBondContact O-N 2.91Å; Q58-N62 PolarHBondContact O-ND2 3.5Å; H59-N62 CarbonylContact O-C 3.27Å; H59-N62 VanDerWaalsContact O-C 3.27Å; H59-N62 PolarHBondContact O-N 3.02Å; H59-N62 VanDerWaalsContact O-N 3.16Å; R60-N62 VanDerWaalsContact C-N 3.26Å; R60-N62 PolarHBondContact O-N 3.32Å; N62-Q64 PolarHBondContact O-N 3.48Å; N62-Q64 VanDerWaalsContact O-N 3.14Å; N62-L65 HydrophobicContact CB-CB 4.32Å; N62-L65 HydrophobicContact CB-CD1 4Å; N62-L65 HydrophobicContact CB-CG 4.27Å; N62-L65 WeakPolarHBondContact O-CB 3.45Å; N62-L65 PolarHBondContact O-N 3.12Å; N62-L65 WeakPolarHBondContact OD1-CD1 3.41Å; N62-I66 PolarHBondContact O-N 2.91Å; N62-I66 VanDerWaalsContact O-N 3.11Å
63W96.7Very high92.4Very high30 Ų3046.4 Ų46.411%0.11423%0.234CC..Hα-helixtrans-57-34.1-177.474.5-95.4000112.2Y5 L14 Q15 L22 H59 L65 I66 A67Y5-W63 HydrophobicContact CE1-CH2 4.15Å; Y5-W63 HydrophobicContact CE1-CZ3 4.33Å; Y5-W63 AromaticContact CZ-CZ3 3.92Å; L14-W63 HydrophobicContact CB-CB 4.46Å; L14-W63 HydrophobicContact CB-CD2 4.37Å; L14-W63 HydrophobicContact CB-CE3 3.74Å; L14-W63 HydrophobicContact CB-CZ3 4.4Å; L14-W63 HydrophobicContact CD1-CE3 4.43Å; Q15-W63 HydrophobicContact CB-CD2 4.17Å; Q15-W63 HydrophobicContact CB-CG 4.29Å; Q15-W63 HydrophobicContact CB-CZ2 4.17Å; L22-W63 HydrophobicContact CD1-CB 4.08Å; L22-W63 HydrophobicContact CD2-CB 4.47Å; H59-W63 PolarHBondContact O-N 3.16Å; W63-L65 PolarHBondContact O-N 2.63Å; W63-I66 WeakPolarHBondContact O-CB 3.4Å; W63-I66 PolarHBondContact O-N 2.91Å; W63-A67 HydrophobicContact CE3-CB 4.41Å; W63-A67 WeakPolarHBondContact O-CB 3.5Å; W63-A67 PolarHBondContact O-N 2.95Å
64Q95.6Very high90.7Very high91 Ų9139.2 Ų39.243%0.42520%0.203SC..Hα-helixtrans-64.9-37.3175.5-65.2-179.2-56.600112.2Y5 N62 I66 A67 G68Y5-Q64 WeakPolarHBondContact CB-O 3.33Å; Y5-Q64 HydrophobicContact CD1-CB 3.86Å; Y5-Q64 HydrophobicContact CD1-CG 3.9Å; Y5-Q64 HydrophobicContact CE1-CB 4.41Å; Y5-Q64 HydrophobicContact CE1-CG 4.04Å; Y5-Q64 HydrophobicContact CG-CB 4.04Å; N62-Q64 PolarHBondContact O-N 3.48Å; N62-Q64 VanDerWaalsContact O-N 3.14Å; Q64-I66 VanDerWaalsContact C-N 3.34Å; Q64-A67 PolarHBondContact O-N 2.86Å; Q64-G68 PolarHBondContact O-N 3.48Å
65L94.5Very high88.9Confident21 Ų2136 Ų3611%0.1117%0.169CC..Hα-helixtrans-67.9-37.6174.5-57.8-177.5000110.7V3 L43 N46 L48 F49 N62 W63 G68 E69V3-L65 HydrophobicContact CB-CD2 4.19Å; V3-L65 WeakPolarHBondContact CG1-O 3.29Å; L43-L65 HydrophobicContact CD1-CB 3.54Å; N46-L65 WeakPolarHBondContact OD1-CD1 3.22Å; L48-L65 HydrophobicContact CB-CD1 4.35Å; L48-L65 HydrophobicContact CD2-CD1 4.22Å; L48-L65 HydrophobicContact CG-CD1 4.35Å; F49-L65 HydrophobicContact CB-CD1 4Å; N62-L65 HydrophobicContact CB-CB 4.32Å; N62-L65 HydrophobicContact CB-CD1 4Å; N62-L65 HydrophobicContact CB-CG 4.27Å; N62-L65 WeakPolarHBondContact O-CB 3.45Å; N62-L65 PolarHBondContact O-N 3.12Å; N62-L65 WeakPolarHBondContact OD1-CD1 3.41Å; W63-L65 PolarHBondContact O-N 2.63Å; L65-G68 PolarHBondContact O-N 3.09Å; L65-E69 PolarHBondContact O-N 2.79Å
66I94.8Very high87.1Confident0 Ų038.7 Ų38.70%019%0.186CC..Hα-helixtrans-65.7-43.3175.1-60.1168.1000110.5L22 F25 A26 L29 L43 H59 N62 W63 Q64 E69 L70L22-I66 HydrophobicContact CB-CD1 4.07Å; F25-I66 HydrophobicContact CD1-CG2 3.54Å; F25-I66 HydrophobicContact CE1-CG2 3.86Å; A26-I66 HydrophobicContact CB-CD1 4.03Å; A26-I66 HydrophobicContact CB-CG1 4.06Å; A26-I66 HydrophobicContact CB-CG2 4.18Å; L29-I66 HydrophobicContact CD1-CG2 4.03Å; L29-I66 WeakPolarHBondContact CD1-O 3.3Å; L43-I66 HydrophobicContact CD2-CG1 3.98Å; H59-I66 HydrophobicContact CB-CD1 3.77Å; N62-I66 PolarHBondContact O-N 2.91Å; N62-I66 VanDerWaalsContact O-N 3.11Å; W63-I66 WeakPolarHBondContact O-CB 3.4Å; W63-I66 PolarHBondContact O-N 2.91Å; Q64-I66 VanDerWaalsContact C-N 3.34Å; I66-E69 WeakPolarHBondContact O-CB 3.36Å; I66-E69 PolarHBondContact O-N 3.27Å; I66-L70 PolarHBondContact O-N 3.31Å
67A94.5Very high85.1Confident0 Ų037.5 Ų37.50%018%0.18CC..Hα-helixtrans-62.2-44.2174.800000111.8Y5 L11 L14 W63 Q64 E69 L70 Q71Y5-A67 HydrophobicContact CD2-CB 3.68Å; Y5-A67 HydrophobicContact CE2-CB 3.49Å; Y5-A67 VanDerWaalsContact CE2-CB 3.49Å; L11-A67 HydrophobicContact CD1-CB 3.95Å; L14-A67 HydrophobicContact CD1-CB 4Å; W63-A67 HydrophobicContact CE3-CB 4.41Å; W63-A67 WeakPolarHBondContact O-CB 3.5Å; W63-A67 PolarHBondContact O-N 2.95Å; Q64-A67 PolarHBondContact O-N 2.86Å; A67-E69 VanDerWaalsContact C-N 3.3Å; A67-E69 PolarHBondContact O-N 3.36Å; A67-L70 WeakPolarHBondContact O-CB 3.21Å; A67-L70 PolarHBondContact O-N 3.16Å; A67-L70 VanDerWaalsContact O-N 3.13Å; A67-Q71 WeakPolarHBondContact O-CG 3.12Å; A67-Q71 PolarHBondContact O-N 2.9Å
68G91.8Very high82.9Confident0 Ų041.5 Ų41.50%020%0.202CC..Hα-helixtrans-62.1-35.5176.300000113Q64 L65 Q71 H72Q64-G68 PolarHBondContact O-N 3.48Å; L65-G68 PolarHBondContact O-N 3.09Å; G68-Q71 PolarHBondContact O-N 3.38Å; G68-H72 PolarHBondContact O-CD2 3.25Å; G68-H72 PolarHBondContact O-N 2.77Å
69E90.7Very high80.7Confident1 Ų141.7 Ų41.71%0.00521%0.207CC..Hα-helixtrans-60-46.4172.2-176.581.6164.200110.9L29 T30 S41 V42 L43 L65 I66 A67 Q71 H72 F73L29-E69 HydrophobicContact CB-CG 3.99Å; L29-E69 HydrophobicContact CD1-CB 4.21Å; L29-E69 HydrophobicContact CD1-CG 4.19Å; T30-E69 HydrophobicContact CG2-CG 4.47Å; S41-E69 WeakPolarHBondContact CA-OE1 3.5Å; S41-E69 VanDerWaalsContact CB-OE1 3.25Å; S41-E69 WeakPolarHBondContact CB-OE1 3.29Å; S41-E69 PolarHBondContact OG-OE1 3.14Å; V42-E69 PolarHBondContact N-OE1 3.05Å; V42-E69 PolarHBondContact N-OE2 2.94Å; L43-E69 HydrophobicContact CB-CB 4.16Å; L43-E69 HydrophobicContact CB-CG 4.08Å; L43-E69 PolarHBondContact N-OE2 2.86Å; L65-E69 PolarHBondContact O-N 2.79Å; I66-E69 WeakPolarHBondContact O-CB 3.36Å; I66-E69 PolarHBondContact O-N 3.27Å; A67-E69 VanDerWaalsContact C-N 3.3Å; A67-E69 PolarHBondContact O-N 3.36Å; E69-Q71 PolarHBondContact O-N 3.41Å; E69-H72 PolarHBondContact O-N 3.3Å; E69-F73 HydrophobicContact CG-CD2 4.27Å; E69-F73 HydrophobicContact CG-CE2 3.96Å; E69-F73 VanDerWaalsContact O-CD2 3.25Å; E69-F73 WeakPolarHBondContact O-CD2 3.23Å; E69-F73 PolarHBondContact O-N 3.12Å
70L90.4Very high78.7Confident0 Ų040.6 Ų40.60%020%0.202CC..Hα-helixtrans-58.5-48.2173.1169.965.2000111.5L11 F25 L29 I66 A67 H72 F73 G74 Y89 I92 A221 I225L11-L70 HydrophobicContact CD1-CD2 4.43Å; L11-L70 HydrophobicContact CD2-CD2 4.32Å; F25-L70 HydrophobicContact CZ-CB 4.33Å; F25-L70 HydrophobicContact CZ-CD2 4.1Å; L29-L70 HydrophobicContact CD1-CB 4.12Å; L29-L70 HydrophobicContact CD2-CB 4.25Å; L29-L70 HydrophobicContact CD2-CD1 4.21Å; I66-L70 PolarHBondContact O-N 3.31Å; A67-L70 WeakPolarHBondContact O-CB 3.21Å; A67-L70 PolarHBondContact O-N 3.16Å; A67-L70 VanDerWaalsContact O-N 3.13Å; L70-H72 PolarHBondContact O-N 3.48Å; L70-F73 PolarHBondContact O-N 3.33Å; L70-G74 PolarHBondContact O-N 3.18Å; L70-G74 VanDerWaalsContact O-N 3.14Å; L70-Y89 HydrophobicContact CD2-CD2 3.9Å; L70-Y89 HydrophobicContact CD2-CE2 4.34Å; L70-I92 HydrophobicContact CG-CD1 4.3Å; L70-A221 HydrophobicContact CD1-CB 3.72Å; L70-I225 HydrophobicContact CD2-CD1 4.44Å; L70-I225 HydrophobicContact CD2-CG1 4.05Å
71Q89.2Confident76.7Confident0 Ų043.8 Ų43.80%022%0.219CC..Hα-helixtrans-60.1-31.3-178-68.4179.4-27.800111.9L6 D8 L11 A67 G68 E69 G86 K87L6-Q71 PolarHBondContact O-NE2 3.16Å; D8-Q71 PolarHBondContact OD2-NE2 2.89Å; L11-Q71 HydrophobicContact CD1-CG 4.18Å; A67-Q71 WeakPolarHBondContact O-CG 3.12Å; A67-Q71 PolarHBondContact O-N 2.9Å; G68-Q71 PolarHBondContact O-N 3.38Å; E69-Q71 PolarHBondContact O-N 3.41Å; Q71-G86 CarbonylContact O-C 3.6Å; Q71-G86 WeakPolarHBondContact O-CA 3.11Å; Q71-K87 WeakPolarHBondContact CB-O 3.33Å; Q71-K87 VanDerWaalsContact CG-O 3.24Å; Q71-K87 WeakPolarHBondContact CG-O 3.28Å; Q71-K87 PolarHBondContact O-N 2.88Å
72H82.8Confident74.6Confident41 Ų4144 Ų4419%0.1923%0.231CC..Hα-helixtrans-75.1-28173.3-77.4-51.8000114.4N4 G68 E69 L70 N80N4-H72 PolarHBondContact N-NE2 2.91Å; G68-H72 PolarHBondContact O-CD2 3.25Å; G68-H72 PolarHBondContact O-N 2.77Å; E69-H72 PolarHBondContact O-N 3.3Å; L70-H72 PolarHBondContact O-N 3.48Å; H72-N80 PolarHBondContact O-ND2 2.97Å
73F74.2Confident73.1Confident15 Ų1549.5 Ų49.57%0.06625%0.251CS..Hα-helixtrans-75.3-28.6173.1-84-72.9000113.2L29 S40 E69 L70 G75 V217L29-F73 HydrophobicContact CB-CE2 4.43Å; L29-F73 HydrophobicContact CD2-CD2 4.38Å; L29-F73 WeakPolarHBondContact O-CE2 3.3Å; L29-F73 WeakPolarHBondContact O-CZ 3.46Å; S40-F73 WeakPolarHBondContact OG-CE1 3.18Å; S40-F73 WeakPolarHBondContact OG-CZ 3.33Å; E69-F73 HydrophobicContact CG-CD2 4.27Å; E69-F73 HydrophobicContact CG-CE2 3.96Å; E69-F73 VanDerWaalsContact O-CD2 3.25Å; E69-F73 WeakPolarHBondContact O-CD2 3.23Å; E69-F73 PolarHBondContact O-N 3.12Å; L70-F73 PolarHBondContact O-N 3.33Å; F73-G75 PolarHBondContact O-N 3.21Å; F73-V217 HydrophobicContact CD1-CB 4.09Å; F73-V217 HydrophobicContact CD1-CG1 4.11Å; F73-V217 HydrophobicContact CD1-CG2 4.34Å; F73-V217 HydrophobicContact CD2-CG1 3.99Å; F73-V217 HydrophobicContact CE1-CB 4.22Å; F73-V217 HydrophobicContact CE1-CG1 4.18Å; F73-V217 HydrophobicContact CE1-CG2 4Å; F73-V217 HydrophobicContact CE2-CG1 4.08Å; F73-V217 HydrophobicContact CG-CB 4.4Å; F73-V217 HydrophobicContact CG-CG1 4.02Å; F73-V217 HydrophobicContact CZ-CG1 4.16Å; F73-V217 HydrophobicContact CZ-CG2 4.41Å
74G56.8Low71.6Confident9 Ų950.2 Ų50.29%0.09327%0.267CS..THydrogen-bonded Turntrans-66.2-3.2-175.200000116.7L70 K87L70-G74 PolarHBondContact O-N 3.18Å; L70-G74 VanDerWaalsContact O-N 3.14Å; G74-K87 VanDerWaalsContact O-CD 3.26Å; G74-K87 WeakPolarHBondContact O-CD 3.1Å; G74-K87 VanDerWaalsContact O-CE 3.31Å; G74-K87 WeakPolarHBondContact O-CE 3.26Å; G74-K87 PolarHBondContact O-NZ 2.92Å
75G53.5Low70.3Confident5 Ų549.3 Ų49.35%0.05226%0.263CS..SBendtrans-130.3168.3176.800000112F73 S77 N80F73-G75 PolarHBondContact O-N 3.21Å; G75-S77 PolarHBondContact O-N 3.4Å; G75-N80 VanDerWaalsContact CA-ND2 3.26Å; G75-N80 WeakPolarHBondContact CA-ND2 3.2Å; G75-N80 PolarHBondContact N-ND2 3.14Å; G75-N80 VanDerWaalsContact N-ND2 3.2Å
76D55.8Low69.6Low125 Ų12548.4 Ų48.467%0.66826%0.258SS*.  trans-53.1121.2165.3-66.6-40.9000107.1I78 A79 N80D76-I78 CarbonylContact O-C 3.53Å; D76-I78 PolarHBondContact O-N 2.91Å; D76-A79 HydrophobicContact CB-CB 3.89Å; D76-A79 WeakPolarHBondContact O-CA 3.46Å; D76-A79 PolarHBondContact O-N 3.45Å; D76-N80 PolarHBondContact O-N 3.44Å
77S52.5Low69.2Low80 Ų8050.9 Ų50.956%0.55927%0.269SS*.Hα-helixtrans-52.6-26179.8-50.40000111.6G75 K81G75-S77 PolarHBondContact O-N 3.4Å; S77-K81 VanDerWaalsContact O-CB 3.31Å; S77-K81 WeakPolarHBondContact O-CB 3.41Å; S77-K81 PolarHBondContact O-N 3.09Å; S77-K81 VanDerWaalsContact O-N 3.16Å
78I48.1Very low69.1Low134 Ų13455 Ų5569%0.68729%0.291SS*.Hα-helixtrans-70.5-50171.8-59.1173.2000112D76 N80 K81 L82D76-I78 CarbonylContact O-C 3.53Å; D76-I78 PolarHBondContact O-N 2.91Å; I78-N80 VanDerWaalsContact C-N 3.35Å; I78-N80 PolarHBondContact O-N 3.18Å; I78-K81 PolarHBondContact O-N 3.36Å; I78-L82 HydrophobicContact CG2-CD1 4.44Å; I78-L82 PolarHBondContact O-N 2.88Å; I78-L82 VanDerWaalsContact O-N 3.12Å
79A50Low69.2Low28 Ų2855 Ų5523%0.23129%0.291CS..Hα-helixtrans-66.6-35.4178.400000112.4D76 L82 R83D76-A79 HydrophobicContact CB-CB 3.89Å; D76-A79 WeakPolarHBondContact O-CA 3.46Å; D76-A79 PolarHBondContact O-N 3.45Å; A79-L82 PolarHBondContact O-N 2.88Å; A79-R83 WeakPolarHBondContact O-CB 3.31Å; A79-R83 PolarHBondContact O-N 2.71Å
80N54.1Low69.3Low7 Ų758.2 Ų58.24%0.03730%0.303CS..Hα-helixtrans-68.9-36.2176.1-69.7-7.2000111.5H72 G75 D76 I78 L82 R83 G84H72-N80 PolarHBondContact O-ND2 2.97Å; G75-N80 VanDerWaalsContact CA-ND2 3.26Å; G75-N80 WeakPolarHBondContact CA-ND2 3.2Å; G75-N80 PolarHBondContact N-ND2 3.14Å; G75-N80 VanDerWaalsContact N-ND2 3.2Å; D76-N80 PolarHBondContact O-N 3.44Å; I78-N80 VanDerWaalsContact C-N 3.35Å; I78-N80 PolarHBondContact O-N 3.18Å; N80-L82 VanDerWaalsContact C-N 3.34Å; N80-R83 PolarHBondContact O-N 2.91Å; N80-R83 PolarHBondContact OD1-NH1 3.5Å; N80-G84 PolarHBondContact O-N 2.87Å
81K53.9Low69.3Low180 Ų18060 Ų6078%0.78332%0.318SS*.Hα-helixtrans-65.3-35.9173.2-168.7176.3-177.9-175.90112.4S77 I78S77-K81 VanDerWaalsContact O-CB 3.31Å; S77-K81 WeakPolarHBondContact O-CB 3.41Å; S77-K81 PolarHBondContact O-N 3.09Å; S77-K81 VanDerWaalsContact O-N 3.16Å; I78-K81 PolarHBondContact O-N 3.36Å
82L52Low69.3Low151 Ų15160.1 Ų60.179%0.79132%0.318SS*.Hα-helixtrans-72.5-38.4174.5-86.5155.7000113I78 A79 N80 G84I78-L82 HydrophobicContact CG2-CD1 4.44Å; I78-L82 PolarHBondContact O-N 2.88Å; I78-L82 VanDerWaalsContact O-N 3.12Å; A79-L82 PolarHBondContact O-N 2.88Å; N80-L82 VanDerWaalsContact C-N 3.34Å; L82-G84 VanDerWaalsContact C-N 3.35Å
83R62.6Low69.7Low122 Ų12258.1 Ų58.146%0.4631%0.309SS..Hα-helixtrans-77.8-18.7-179.1-160.6177.2-64.597.21.2113.4A79 N80 H85A79-R83 WeakPolarHBondContact O-CB 3.31Å; A79-R83 PolarHBondContact O-N 2.71Å; N80-R83 PolarHBondContact O-N 2.91Å; N80-R83 PolarHBondContact OD1-NH1 3.5Å; R83-H85 WeakPolarHBondContact CD-CE1 3.48Å; R83-H85 WeakPolarHBondContact CD-ND1 3.44Å; R83-H85 VanDerWaalsContact CG-CE1 3.43Å; R83-H85 WeakPolarHBondContact CG-CE1 3.28Å; R83-H85 PolarHBondContact O-N 3.45Å; R83-H85 VanDerWaalsContact O-N 3.14Å
84G65.1Low70.5Confident44 Ų4459.9 Ų59.945%0.45432%0.319SS..SBendtrans75.6-8.8-179.100000114.8N80 L82N80-G84 PolarHBondContact O-N 2.87Å; L82-G84 VanDerWaalsContact C-N 3.35Å
85H69.5Low71.9Confident73 Ų7362 Ų6234%0.33833%0.329SS..SBendtrans-140.6162.8177.763.757.7000111.8L6 R83L6-H85 HydrophobicContact CD1-CB 4.02Å; L6-H85 HydrophobicContact CD2-CB 3.7Å; L6-H85 HydrophobicContact CG-CB 3.96Å; R83-H85 WeakPolarHBondContact CD-CE1 3.48Å; R83-H85 WeakPolarHBondContact CD-ND1 3.44Å; R83-H85 VanDerWaalsContact CG-CE1 3.43Å; R83-H85 WeakPolarHBondContact CG-CE1 3.28Å; R83-H85 PolarHBondContact O-N 3.45Å; R83-H85 VanDerWaalsContact O-N 3.14Å
86G79.7Confident73.4Confident1 Ų161.8 Ų61.81%0.0133%0.326CS..  trans-71.1-165.4176.100000114L6 Q71L6-G86 WeakPolarHBondContact CD1-O 3.39Å; Q71-G86 CarbonylContact O-C 3.6Å; Q71-G86 WeakPolarHBondContact O-CA 3.11Å
87K86.6Confident74.8Confident52 Ų5255.9 Ų55.923%0.22630%0.295CS..  trans-103.9148.1169.2-67.7-170.2-1721610110.4Q71 G74 A91 I92 D95Q71-K87 WeakPolarHBondContact CB-O 3.33Å; Q71-K87 VanDerWaalsContact CG-O 3.24Å; Q71-K87 WeakPolarHBondContact CG-O 3.28Å; Q71-K87 PolarHBondContact O-N 2.88Å; G74-K87 VanDerWaalsContact O-CD 3.26Å; G74-K87 WeakPolarHBondContact O-CD 3.1Å; G74-K87 VanDerWaalsContact O-CE 3.31Å; G74-K87 WeakPolarHBondContact O-CE 3.26Å; G74-K87 PolarHBondContact O-NZ 2.92Å; K87-A91 HydrophobicContact CB-CB 4.44Å; K87-A91 HydrophobicContact CD-CB 4.45Å; K87-I92 HydrophobicContact CB-CD1 4.3Å; K87-I92 HydrophobicContact CB-CG1 3.86Å; K87-D95 IonicContact NZ-OD2 3.3Å; K87-D95 PolarHBondContact NZ-OD2 3.4Å
88L91.8Very high76.3Confident88 Ų8860 Ų6046%0.46130%0.302SS..  trans-58.4144.2165.6-63.9176.2000110.2L6 D8 R90 A91 I92L6-L88 HydrophobicContact CB-CD2 4.37Å; D8-L88 HydrophobicContact CB-CD2 4.09Å; D8-L88 WeakPolarHBondContact OD2-CA 3.32Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.14Å; L88-A91 WeakPolarHBondContact O-CB 3.26Å; L88-A91 PolarHBondContact O-N 2.74Å; L88-I92 WeakPolarHBondContact O-CG1 3.25Å; L88-I92 PolarHBondContact O-N 3.37Å
89Y94.3Very high77.8Confident0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-55.9-42.5-176.7173.5-105.6000112.2D8 D10 L11 L70 A91 I92 L93 T110 E114 V222 I225D8-Y89 VanDerWaalsContact OD2-CB 3.3Å; D8-Y89 WeakPolarHBondContact OD2-CB 3.36Å; D8-Y89 PolarHBondContact OD2-N 2.83Å; D10-Y89 HydrophobicContact CB-CD1 3.74Å; D10-Y89 HydrophobicContact CB-CG 4.48Å; L11-Y89 HydrophobicContact CD2-CD1 4.31Å; L11-Y89 HydrophobicContact CD2-CD2 3.85Å; L11-Y89 HydrophobicContact CD2-CG 3.71Å; L11-Y89 HydrophobicContact CG-CG 4.16Å; L70-Y89 HydrophobicContact CD2-CD2 3.9Å; L70-Y89 HydrophobicContact CD2-CE2 4.34Å; Y89-A91 PolarHBondContact O-N 2.97Å; Y89-I92 CarbonylContact O-C 3.56Å; Y89-I92 WeakPolarHBondContact O-CA 3.39Å; Y89-I92 WeakPolarHBondContact O-CB 3.36Å; Y89-I92 PolarHBondContact O-N 3.32Å; Y89-L93 HydrophobicContact CE1-CB 4.4Å; Y89-L93 HydrophobicContact CE1-CD2 4.17Å; Y89-L93 WeakPolarHBondContact O-CB 3.28Å; Y89-L93 PolarHBondContact O-N 2.87Å; Y89-T110 HydrophobicContact CD1-CG2 3.84Å; Y89-T110 HydrophobicContact CE1-CG2 3.56Å; Y89-E114 HydrophobicContact CE1-CG 4.49Å; Y89-E114 WeakPolarHBondContact CE1-OE1 3.33Å; Y89-E114 VanDerWaalsContact CZ-OE1 3.23Å; Y89-E114 PolarHBondContact OH-OE1 2.99Å; Y89-V222 HydrophobicContact CE2-CG1 4.44Å; Y89-V222 HydrophobicContact CE2-CG2 4.11Å; Y89-I225 HydrophobicContact CD2-CG2 4.45Å; Y89-I225 HydrophobicContact CE1-CG2 3.97Å; Y89-I225 HydrophobicContact CE2-CB 3.94Å; Y89-I225 HydrophobicContact CE2-CG1 4.12Å; Y89-I225 HydrophobicContact CE2-CG2 3.64Å; Y89-I225 WeakPolarHBondContact OH-CG2 3.4Å
90R93.2Very high79.1Confident67 Ų6758 Ų5825%0.25328%0.28SS..Hα-helixtrans-54.1-41.3174.8-173.3174176.479.3-0.1112.7L88 L93 L94 K106 M108 T110L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.14Å; R90-L93 PolarHBondContact O-N 3.39Å; R90-L94 HydrophobicContact CG-CD1 4.26Å; R90-L94 WeakPolarHBondContact O-CB 3.31Å; R90-L94 VanDerWaalsContact O-CG 3.27Å; R90-L94 WeakPolarHBondContact O-CG 3.43Å; R90-L94 PolarHBondContact O-N 2.9Å; R90-K106 PolarHBondContact NH2-O 2.86Å; R90-M108 VanDerWaalsContact CZ-O 3.29Å; R90-M108 PolarHBondContact NH1-O 3.47Å; R90-M108 PolarHBondContact NH2-O 3.36Å; R90-T110 PolarHBondContact NH1-OG1 3.32Å
91A89.8Confident80.4Confident39 Ų3965.2 Ų65.232%0.32231%0.312SS..Hα-helixtrans-67.7-38.2176.900000111.7K87 L88 Y89 L94 D95K87-A91 HydrophobicContact CB-CB 4.44Å; K87-A91 HydrophobicContact CD-CB 4.45Å; L88-A91 WeakPolarHBondContact O-CB 3.26Å; L88-A91 PolarHBondContact O-N 2.74Å; Y89-A91 PolarHBondContact O-N 2.97Å; A91-L94 PolarHBondContact O-N 2.87Å; A91-D95 WeakPolarHBondContact O-CB 3.07Å; A91-D95 VanDerWaalsContact O-CG 3.31Å; A91-D95 PolarHBondContact O-N 3.07Å
92I89.8Confident81.7Confident1 Ų157.9 Ų57.91%0.00528%0.281CS..Hα-helixtrans-63.1-46.3174.8-56.8180000110.7L70 K87 L88 Y89 D95 V96 T218 V222L70-I92 HydrophobicContact CG-CD1 4.3Å; K87-I92 HydrophobicContact CB-CD1 4.3Å; K87-I92 HydrophobicContact CB-CG1 3.86Å; L88-I92 WeakPolarHBondContact O-CG1 3.25Å; L88-I92 PolarHBondContact O-N 3.37Å; Y89-I92 CarbonylContact O-C 3.56Å; Y89-I92 WeakPolarHBondContact O-CA 3.39Å; Y89-I92 WeakPolarHBondContact O-CB 3.36Å; Y89-I92 PolarHBondContact O-N 3.32Å; I92-D95 PolarHBondContact O-N 2.95Å; I92-V96 WeakPolarHBondContact O-CG2 3.27Å; I92-V96 PolarHBondContact O-N 2.91Å; I92-T218 HydrophobicContact CG2-CG2 3.24Å; I92-V222 HydrophobicContact CG2-CG2 3.9Å
93L91.5Very high83Confident0 Ų060 Ų600%028%0.283CS..Hα-helixtrans-60.3-46.7177.4175.461.8000110.9Y89 R90 D95 V96 S97 T110 I113 E114 L117 V222Y89-L93 HydrophobicContact CE1-CB 4.4Å; Y89-L93 HydrophobicContact CE1-CD2 4.17Å; Y89-L93 WeakPolarHBondContact O-CB 3.28Å; Y89-L93 PolarHBondContact O-N 2.87Å; R90-L93 PolarHBondContact O-N 3.39Å; L93-D95 PolarHBondContact O-N 3.29Å; L93-V96 PolarHBondContact O-N 3.17Å; L93-S97 WeakPolarHBondContact O-CB 3.39Å; L93-S97 PolarHBondContact O-N 3.49Å; L93-S97 PolarHBondContact O-OG 3.42Å; L93-S97 VanDerWaalsContact O-OG 3.09Å; L93-T110 HydrophobicContact CD2-CG2 3.83Å; L93-I113 HydrophobicContact CD1-CG2 3.98Å; L93-I113 HydrophobicContact CD2-CB 3.79Å; L93-I113 HydrophobicContact CD2-CG2 3.72Å; L93-I113 HydrophobicContact CG-CB 4.28Å; L93-I113 HydrophobicContact CG-CG2 3.63Å; L93-E114 HydrophobicContact CD1-CG 4.27Å; L93-E114 HydrophobicContact CD2-CG 3.84Å; L93-L117 HydrophobicContact CD1-CD2 3.81Å; L93-V222 HydrophobicContact CD1-CG1 3.38Å
94L89.5Confident83.9Confident52 Ų5255.5 Ų55.527%0.27227%0.272SS..Hα-helixtrans-63.1-40.5176.3-72.2171000112.5R90 A91 V96 S97 K98 A104 I113R90-L94 HydrophobicContact CG-CD1 4.26Å; R90-L94 WeakPolarHBondContact O-CB 3.31Å; R90-L94 VanDerWaalsContact O-CG 3.27Å; R90-L94 WeakPolarHBondContact O-CG 3.43Å; R90-L94 PolarHBondContact O-N 2.9Å; A91-L94 PolarHBondContact O-N 2.87Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-S97 PolarHBondContact O-N 2.89Å; L94-K98 VanDerWaalsContact O-CB 3.3Å; L94-K98 WeakPolarHBondContact O-CB 3.43Å; L94-K98 PolarHBondContact O-N 3.04Å; L94-A104 HydrophobicContact CD2-CB 4.06Å; L94-I113 HydrophobicContact CD2-CD1 3.89Å
95D86.1Confident84.7Confident54 Ų5457.9 Ų57.929%0.28928%0.275SS..Hα-helixtrans-64.1-39.5175.8-78.2-22.8000111.7K87 A91 I92 L93 R99K87-D95 IonicContact NZ-OD2 3.3Å; K87-D95 PolarHBondContact NZ-OD2 3.4Å; A91-D95 WeakPolarHBondContact O-CB 3.07Å; A91-D95 VanDerWaalsContact O-CG 3.31Å; A91-D95 PolarHBondContact O-N 3.07Å; I92-D95 PolarHBondContact O-N 2.95Å; L93-D95 PolarHBondContact O-N 3.29Å; D95-R99 WeakPolarHBondContact O-CB 3.39Å; D95-R99 PolarHBondContact O-N 3.21Å
96V85.2Confident85.1Confident0 Ų062.3 Ų62.30%029%0.293CS..Hα-helixtrans-64.6-52.3172.4166.40000110.1I92 L93 L94 K98 R99 L100 L117 T218 I219 V222I92-V96 WeakPolarHBondContact O-CG2 3.27Å; I92-V96 PolarHBondContact O-N 2.91Å; L93-V96 PolarHBondContact O-N 3.17Å; L94-V96 VanDerWaalsContact C-N 3.33Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.45Å; V96-R99 WeakPolarHBondContact O-CA 3.47Å; V96-R99 WeakPolarHBondContact O-CB 3.45Å; V96-R99 PolarHBondContact O-N 2.91Å; V96-L100 HydrophobicContact CG1-CD1 3.67Å; V96-L100 HydrophobicContact CG1-CG 4.25Å; V96-L100 VanDerWaalsContact O-CG 3.25Å; V96-L100 WeakPolarHBondContact O-CG 3.25Å; V96-L100 PolarHBondContact O-N 2.77Å; V96-L117 HydrophobicContact CG1-CD1 4.31Å; V96-L117 HydrophobicContact CG1-CD2 4.25Å; V96-T218 HydrophobicContact CG2-CG2 3.66Å; V96-I219 HydrophobicContact CG1-CG1 4.12Å; V96-I219 HydrophobicContact CG2-CG1 4.32Å; V96-V222 HydrophobicContact CG1-CG1 4.48Å; V96-V222 HydrophobicContact CG2-CG2 3.97Å
97S85.3Confident85.6Confident1 Ų170.3 Ų70.31%0.00733%0.33CS..Hα-helixtrans-55.9-46.6179-66.40000112.2L93 L94 R99 L100 K101 L102L93-S97 WeakPolarHBondContact O-CB 3.39Å; L93-S97 PolarHBondContact O-N 3.49Å; L93-S97 PolarHBondContact O-OG 3.42Å; L93-S97 VanDerWaalsContact O-OG 3.09Å; L94-S97 PolarHBondContact O-N 2.89Å; S97-R99 VanDerWaalsContact C-N 3.32Å; S97-R99 PolarHBondContact O-N 2.97Å; S97-L100 CarbonylContact O-C 3.52Å; S97-L100 PolarHBondContact O-N 3.14Å; S97-L100 VanDerWaalsContact O-N 3.12Å; S97-K101 PolarHBondContact O-N 3.36Å; S97-K101 VanDerWaalsContact O-N 3.1Å; S97-L102 WeakPolarHBondContact O-CB 3.26Å; S97-L102 PolarHBondContact O-N 3.22Å
98K84.7Confident85.8Confident165 Ų16569.2 Ų69.272%0.71733%0.326SS*.Hα-helixtrans-59.3-42.4175.3-176.7178.8-179.5179.60111.8L94 V96 L100 K101L94-K98 VanDerWaalsContact O-CB 3.3Å; L94-K98 WeakPolarHBondContact O-CB 3.43Å; L94-K98 PolarHBondContact O-N 3.04Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.45Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.21Å; K98-K101 PolarHBondContact O-N 3.42Å; K98-K101 VanDerWaalsContact O-N 3.17Å
99R79.3Confident85.9Confident116 Ų11667.4 Ų67.444%0.43832%0.321SS..Hα-helixtrans-64.1-35.5177.5-178.660.2177.7-142-1.9112D95 V96 S97 K101 V210 Y215D95-R99 WeakPolarHBondContact O-CB 3.39Å; D95-R99 PolarHBondContact O-N 3.21Å; V96-R99 WeakPolarHBondContact O-CA 3.47Å; V96-R99 WeakPolarHBondContact O-CB 3.45Å; V96-R99 PolarHBondContact O-N 2.91Å; S97-R99 VanDerWaalsContact C-N 3.32Å; S97-R99 PolarHBondContact O-N 2.97Å; R99-K101 PolarHBondContact O-N 2.93Å; R99-V210 PolarHBondContact NH1-O 2.96Å; R99-V210 PolarHBondContact NH2-O 2.8Å; R99-Y215 HydrophobicContact CB-CE1 3.98Å; R99-Y215 HydrophobicContact CG-CD1 4.24Å; R99-Y215 HydrophobicContact CG-CE1 4.01Å
100L77Confident85.9Confident5 Ų567.9 Ų67.93%0.02632%0.324CS..THydrogen-bonded Turntrans-85.47.7178.5-57.7-178.3000113.2V96 S97 K98 L102 L117 Q120 L186 I219V96-L100 HydrophobicContact CG1-CD1 3.67Å; V96-L100 HydrophobicContact CG1-CG 4.25Å; V96-L100 VanDerWaalsContact O-CG 3.25Å; V96-L100 WeakPolarHBondContact O-CG 3.25Å; V96-L100 PolarHBondContact O-N 2.77Å; S97-L100 CarbonylContact O-C 3.52Å; S97-L100 PolarHBondContact O-N 3.14Å; S97-L100 VanDerWaalsContact O-N 3.12Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.21Å; L100-L102 HydrophobicContact CB-CD1 4.4Å; L100-L102 HydrophobicContact CB-CG 4.41Å; L100-L102 PolarHBondContact O-N 3.45Å; L100-L102 VanDerWaalsContact O-N 3.17Å; L100-L117 HydrophobicContact CD1-CD1 3.33Å; L100-Q120 PolarHBondContact O-NE2 2.91Å; L100-L186 HydrophobicContact CB-CD1 4.31Å; L100-L186 HydrophobicContact CD1-CD1 3.53Å; L100-L186 HydrophobicContact CD2-CB 3.62Å; L100-L186 HydrophobicContact CD2-CD1 3.23Å; L100-L186 HydrophobicContact CD2-CG 4Å; L100-L186 HydrophobicContact CG-CD1 3.8Å; L100-I219 HydrophobicContact CD1-CG2 4.46Å; L100-I219 HydrophobicContact CD2-CD1 3.95Å
101K81.5Confident85.9Confident159 Ų15968.9 Ų68.969%0.69133%0.33SS*.THydrogen-bonded Turntrans55.927-177.8-56.4177.3-179.5172.10112.8S97 K98 R99S97-K101 PolarHBondContact O-N 3.36Å; S97-K101 VanDerWaalsContact O-N 3.1Å; K98-K101 PolarHBondContact O-N 3.42Å; K98-K101 VanDerWaalsContact O-N 3.17Å; R99-K101 PolarHBondContact O-N 2.93Å
102L81.2Confident86Confident26 Ų2671.2 Ų71.214%0.13634%0.335CS..  trans-75.5127169-74.8170.4000109.3S97 L100 A104 L117 Q120S97-L102 WeakPolarHBondContact O-CB 3.26Å; S97-L102 PolarHBondContact O-N 3.22Å; L100-L102 HydrophobicContact CB-CD1 4.4Å; L100-L102 HydrophobicContact CB-CG 4.41Å; L100-L102 PolarHBondContact O-N 3.45Å; L100-L102 VanDerWaalsContact O-N 3.17Å; L102-A104 VanDerWaalsContact C-N 3.27Å; L102-A104 PolarHBondContact O-N 3.06Å; L102-L117 HydrophobicContact CD1-CB 4Å; L102-L117 HydrophobicContact CD1-CD1 3.51Å; L102-L117 HydrophobicContact CD1-CG 4.37Å; L102-Q120 VanDerWaalsContact CD1-OE1 3.24Å; L102-Q120 HydrophobicContact CD2-CB 3.71Å; L102-Q120 HydrophobicContact CD2-CG 3.74Å
103K79.9Confident86.2Confident194 Ų19471.2 Ų71.284%0.84334%0.335SS*.  trans-79.980.5170.4-66.2-175.7-179.3-178.80108.4
104A80.6Confident86.2Confident28 Ų2871.4 Ų71.423%0.23134%0.335CS..  trans-78.8121.8168.100000108.8L94 L102 I113L94-A104 HydrophobicContact CD2-CB 4.06Å; L102-A104 VanDerWaalsContact C-N 3.27Å; L102-A104 PolarHBondContact O-N 3.06Å; A104-I113 HydrophobicContact CB-CD1 4.42Å; A104-I113 HydrophobicContact CB-CG1 4.21Å; A104-I113 HydrophobicContact CB-CG2 3.95Å
105D82Confident86.2Confident95 Ų9571.6 Ų71.651%0.50834%0.335SS..  trans-69.5143.9168.6-163.5-27.5000109.1E107 M108D105-E107 PolarHBondContact O-N 3.05Å; D105-E107 PolarHBondContact OD1-N 3.01Å; D105-E107 VanDerWaalsContact OD1-N 3.16Å; D105-M108 HydrophobicContact CB-CG 3.9Å; D105-M108 HydrophobicContact CB-SD 3.9Å; D105-M108 PolarHBondContact O-N 3.42Å
106K79Confident86.4Confident166 Ų16672.4 Ų72.472%0.72234%0.337SS*.THydrogen-bonded Turntrans-67.9-25.4177.6-67-178.2-178.8177.20112.3R90 M108R90-K106 PolarHBondContact NH2-O 2.86Å; K106-M108 VanDerWaalsContact C-N 3.34Å
107E88.7Confident86.5Confident169 Ų16972.4 Ų72.479%0.7934%0.337SS*.THydrogen-bonded Turntrans-81-14.9179.4-58.1-51.5122.900113D105D105-E107 PolarHBondContact O-N 3.05Å; D105-E107 PolarHBondContact OD1-N 3.01Å; D105-E107 VanDerWaalsContact OD1-N 3.16Å
108M90.8Very high86.6Confident28 Ų2872.4 Ų72.414%0.13834%0.337CS..SBendtrans-66.1139.6177.4-75.2168.670.400111.5R90 D105 K106 E112 I113 Q116R90-M108 VanDerWaalsContact CZ-O 3.29Å; R90-M108 PolarHBondContact NH1-O 3.47Å; R90-M108 PolarHBondContact NH2-O 3.36Å; D105-M108 HydrophobicContact CB-CG 3.9Å; D105-M108 HydrophobicContact CB-SD 3.9Å; D105-M108 PolarHBondContact O-N 3.42Å; K106-M108 VanDerWaalsContact C-N 3.34Å; M108-E112 HydrophobicContact CB-CB 4.22Å; M108-E112 VanDerWaalsContact CE-C 3.47Å; M108-E112 HydrophobicContact CE-CB 3.59Å; M108-E112 WeakPolarHBondContact CE-O 3.45Å; M108-E112 HydrophobicContact CG-CB 4.46Å; M108-I113 HydrophobicContact CB-CD1 4.23Å; M108-I113 HydrophobicContact CB-CG1 3.72Å; M108-I113 HydrophobicContact CE-CG1 4.09Å; M108-I113 HydrophobicContact SD-CG1 4.48Å; M108-Q116 HydrophobicContact CE-CG 3.92Å
109S94Very high86.7Confident51 Ų5166.8 Ų66.836%0.35731%0.313SS..  trans-60.8156.8169.967.70000111.5F111 E112 I113S109-F111 PolarHBondContact O-N 2.79Å; S109-E112 VanDerWaalsContact CB-OE2 3.31Å; S109-E112 WeakPolarHBondContact CB-OE2 3.38Å; S109-E112 PolarHBondContact N-OE2 3.4Å; S109-E112 PolarHBondContact O-N 2.97Å; S109-E112 VanDerWaalsContact O-N 3.16Å; S109-E112 VanDerWaalsContact OG-CD 3.28Å; S109-E112 WeakPolarHBondContact OG-CG 3.38Å; S109-E112 PolarHBondContact OG-N 3.19Å; S109-E112 PolarHBondContact OG-OE2 3.2Å; S109-I113 WeakPolarHBondContact O-CG1 3.48Å; S109-I113 PolarHBondContact O-N 3.46Å; S109-I113 VanDerWaalsContact O-N 3.12Å
110T94.9Very high86.9Confident10 Ų1063.4 Ų63.46%0.06130%0.303CS..Hα-helixtrans-56.5-38.8176.3-66.40000111.2D10 Y89 R90 L93 I113 E114D10-T110 HydrophobicContact CB-CG2 4.11Å; D10-T110 VanDerWaalsContact CG-OG1 3.27Å; D10-T110 WeakPolarHBondContact OD1-CB 3.5Å; D10-T110 PolarHBondContact OD1-OG1 2.81Å; D10-T110 PolarHBondContact OD2-OG1 3.43Å; Y89-T110 HydrophobicContact CD1-CG2 3.84Å; Y89-T110 HydrophobicContact CE1-CG2 3.56Å; R90-T110 PolarHBondContact NH1-OG1 3.32Å; L93-T110 HydrophobicContact CD2-CG2 3.83Å; T110-I113 PolarHBondContact O-N 2.93Å; T110-E114 WeakPolarHBondContact O-CB 3.48Å; T110-E114 VanDerWaalsContact O-CG 3.31Å; T110-E114 WeakPolarHBondContact O-CG 3.5Å; T110-E114 PolarHBondContact O-N 2.97Å
111F92.6Very high87.2Confident87 Ų8763.7 Ų63.738%0.38230%0.303SS..Hα-helixtrans-62-44.1176.1-175.2-92000112.9S109 I113 E114 Q115 R230S109-F111 PolarHBondContact O-N 2.79Å; F111-I113 PolarHBondContact O-N 3.23Å; F111-E114 WeakPolarHBondContact O-CB 3.14Å; F111-E114 PolarHBondContact O-N 3.35Å; F111-Q115 WeakPolarHBondContact O-CB 3.27Å; F111-Q115 PolarHBondContact O-N 2.94Å; F111-R230 HydrophobicContact CE2-CG 4.21Å
112E92Very high87.1Confident89 Ų8956.3 Ų56.342%0.41627%0.272SS..Hα-helixtrans-67.1-36.3178.9-71.4163.4129.800112.3M108 S109 Q115 Q116M108-E112 HydrophobicContact CB-CB 4.22Å; M108-E112 VanDerWaalsContact CE-C 3.47Å; M108-E112 HydrophobicContact CE-CB 3.59Å; M108-E112 WeakPolarHBondContact CE-O 3.45Å; M108-E112 HydrophobicContact CG-CB 4.46Å; S109-E112 VanDerWaalsContact CB-OE2 3.31Å; S109-E112 WeakPolarHBondContact CB-OE2 3.38Å; S109-E112 PolarHBondContact N-OE2 3.4Å; S109-E112 PolarHBondContact O-N 2.97Å; S109-E112 VanDerWaalsContact O-N 3.16Å; S109-E112 VanDerWaalsContact OG-CD 3.28Å; S109-E112 WeakPolarHBondContact OG-CG 3.38Å; S109-E112 PolarHBondContact OG-N 3.19Å; S109-E112 PolarHBondContact OG-OE2 3.2Å; E112-Q115 WeakPolarHBondContact O-CB 3.46Å; E112-Q115 PolarHBondContact O-N 3.36Å; E112-Q116 PolarHBondContact O-N 2.74Å
113I93.6Very high87.2Confident1 Ų158.8 Ų58.81%0.00528%0.279CS..Hα-helixtrans-68-42.5176-59.1167.9000110.1L93 L94 A104 M108 S109 T110 F111 Q115 Q116 L117L93-I113 HydrophobicContact CD1-CG2 3.98Å; L93-I113 HydrophobicContact CD2-CB 3.79Å; L93-I113 HydrophobicContact CD2-CG2 3.72Å; L93-I113 HydrophobicContact CG-CB 4.28Å; L93-I113 HydrophobicContact CG-CG2 3.63Å; L94-I113 HydrophobicContact CD2-CD1 3.89Å; A104-I113 HydrophobicContact CB-CD1 4.42Å; A104-I113 HydrophobicContact CB-CG1 4.21Å; A104-I113 HydrophobicContact CB-CG2 3.95Å; M108-I113 HydrophobicContact CB-CD1 4.23Å; M108-I113 HydrophobicContact CB-CG1 3.72Å; M108-I113 HydrophobicContact CE-CG1 4.09Å; M108-I113 HydrophobicContact SD-CG1 4.48Å; S109-I113 WeakPolarHBondContact O-CG1 3.48Å; S109-I113 PolarHBondContact O-N 3.46Å; S109-I113 VanDerWaalsContact O-N 3.12Å; T110-I113 PolarHBondContact O-N 2.93Å; F111-I113 PolarHBondContact O-N 3.23Å; I113-Q115 VanDerWaalsContact C-N 3.29Å; I113-Q115 PolarHBondContact O-N 2.78Å; I113-Q116 PolarHBondContact O-N 3.29Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 PolarHBondContact O-N 3.27Å
114E93.1Very high87.1Confident3 Ų351.7 Ų51.71%0.01425%0.251CS..Hα-helixtrans-58.3-41.7172.8-77176.2171.600111.8Y89 L93 T110 F111 L117 L118 A226 R229Y89-E114 HydrophobicContact CE1-CG 4.49Å; Y89-E114 WeakPolarHBondContact CE1-OE1 3.33Å; Y89-E114 VanDerWaalsContact CZ-OE1 3.23Å; Y89-E114 PolarHBondContact OH-OE1 2.99Å; L93-E114 HydrophobicContact CD1-CG 4.27Å; L93-E114 HydrophobicContact CD2-CG 3.84Å; T110-E114 WeakPolarHBondContact O-CB 3.48Å; T110-E114 VanDerWaalsContact O-CG 3.31Å; T110-E114 WeakPolarHBondContact O-CG 3.5Å; T110-E114 PolarHBondContact O-N 2.97Å; F111-E114 WeakPolarHBondContact O-CB 3.14Å; F111-E114 PolarHBondContact O-N 3.35Å; E114-L117 WeakPolarHBondContact O-CB 3.37Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-L118 WeakPolarHBondContact O-CG 3.41Å; E114-L118 PolarHBondContact O-N 3.32Å; E114-A226 HydrophobicContact CB-CB 3.75Å; E114-A226 HydrophobicContact CG-CB 3.86Å; E114-R229 VanDerWaalsContact CD-NE 3.33Å; E114-R229 IonicContact OE1-CZ 2.77Å; E114-R229 IonicContact OE1-NE 2.73Å; E114-R229 PolarHBondContact OE1-NE 3.49Å; E114-R229 VanDerWaalsContact OE1-NE 3.11Å; E114-R229 IonicContact OE1-NH2 3.88Å; E114-R229 PolarHBondContact OE1-NH2 3.39Å; E114-R229 VanDerWaalsContact OE2-CD 3.22Å; E114-R229 WeakPolarHBondContact OE2-CD 3.42Å; E114-R229 IonicContact OE2-CZ 3.42Å; E114-R229 IonicContact OE2-NE 2.88Å; E114-R229 PolarHBondContact OE2-NE 3.12Å
115Q89.6Confident86.9Confident56 Ų5650.9 Ų50.926%0.26224%0.242SC..Hα-helixtrans-60.7-52.7177.4-175.4-177.8-20.800111.4F111 E112 I113 L117 L118 E119 M156F111-Q115 WeakPolarHBondContact O-CB 3.27Å; F111-Q115 PolarHBondContact O-N 2.94Å; E112-Q115 WeakPolarHBondContact O-CB 3.46Å; E112-Q115 PolarHBondContact O-N 3.36Å; I113-Q115 VanDerWaalsContact C-N 3.29Å; I113-Q115 PolarHBondContact O-N 2.78Å; Q115-L117 PolarHBondContact O-N 3.39Å; Q115-L118 PolarHBondContact O-N 3.22Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.41Å; Q115-E119 PolarHBondContact NE2-OE1 3.28Å; Q115-E119 WeakPolarHBondContact O-CG 3.42Å; Q115-E119 PolarHBondContact O-N 3.36Å; Q115-M156 HydrophobicContact CG-CB 4.45Å; Q115-M156 HydrophobicContact CG-CG 4.08Å; Q115-M156 HydrophobicContact CG-SD 3.66Å
116Q89.2Confident86.7Confident71 Ų7147.7 Ų47.733%0.33222%0.224SC..Hα-helixtrans-59.8-37.5177.9-72.4-170.27.800112.3M108 E112 I113 E119 Q120M108-Q116 HydrophobicContact CE-CG 3.92Å; E112-Q116 PolarHBondContact O-N 2.74Å; I113-Q116 PolarHBondContact O-N 3.29Å; Q116-E119 PolarHBondContact O-N 3.27Å; Q116-Q120 WeakPolarHBondContact O-CB 3.07Å; Q116-Q120 PolarHBondContact O-N 2.86Å
117L87.9Confident86.7Confident1 Ų147.2 Ų47.21%0.00522%0.221CC..Hα-helixtrans-62.9-47.1176.3176.265.6000111.7L93 V96 L100 L102 I113 E114 Q115 Q120 F121 V222 L223L93-L117 HydrophobicContact CD1-CD2 3.81Å; V96-L117 HydrophobicContact CG1-CD1 4.31Å; V96-L117 HydrophobicContact CG1-CD2 4.25Å; L100-L117 HydrophobicContact CD1-CD1 3.33Å; L102-L117 HydrophobicContact CD1-CB 4Å; L102-L117 HydrophobicContact CD1-CD1 3.51Å; L102-L117 HydrophobicContact CD1-CG 4.37Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 PolarHBondContact O-N 3.27Å; E114-L117 WeakPolarHBondContact O-CB 3.37Å; E114-L117 PolarHBondContact O-N 2.91Å; Q115-L117 PolarHBondContact O-N 3.39Å; L117-Q120 PolarHBondContact O-N 3.47Å; L117-F121 VanDerWaalsContact O-CB 3.22Å; L117-F121 WeakPolarHBondContact O-CB 3.47Å; L117-F121 PolarHBondContact O-N 2.92Å; L117-V222 HydrophobicContact CD2-CB 4.42Å; L117-V222 HydrophobicContact CD2-CG1 3.4Å; L117-L223 HydrophobicContact CD1-CD2 4.45Å; L117-L223 HydrophobicContact CD2-CD2 4.21Å; L117-L223 HydrophobicContact CG-CD2 3.91Å
118L86.5Confident86Confident1 Ų142.9 Ų42.91%0.00520%0.203CC..Hα-helixtrans-63.1-44.2176.8-73.7175.4000111.7E114 Q115 F121 L122 M156 L223 A226E114-L118 WeakPolarHBondContact O-CG 3.41Å; E114-L118 PolarHBondContact O-N 3.32Å; Q115-L118 PolarHBondContact O-N 3.22Å; L118-F121 PolarHBondContact O-N 2.92Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 WeakPolarHBondContact O-CG 3.3Å; L118-L122 PolarHBondContact O-N 3.37Å; L118-M156 HydrophobicContact CB-CE 4.38Å; L118-L223 HydrophobicContact CD2-CD2 3.98Å; L118-A226 HydrophobicContact CD1-CB 3.72Å; L118-A226 HydrophobicContact CD2-CB 4.05Å; L118-A226 HydrophobicContact CG-CB 3.8Å
119E86.2Confident85.2Confident46 Ų4642.4 Ų42.422%0.21520%0.201CC..Hα-helixtrans-60.1-48.1177.7-71.5179.6-159.600111.5Q115 Q116 L122 R123 L152 M156Q115-E119 WeakPolarHBondContact CG-OE1 3.41Å; Q115-E119 PolarHBondContact NE2-OE1 3.28Å; Q115-E119 WeakPolarHBondContact O-CG 3.42Å; Q115-E119 PolarHBondContact O-N 3.36Å; Q116-E119 PolarHBondContact O-N 3.27Å; E119-L122 PolarHBondContact O-N 2.89Å; E119-R123 WeakPolarHBondContact O-CB 3.35Å; E119-R123 WeakPolarHBondContact O-CD 3.48Å; E119-R123 WeakPolarHBondContact O-CG 3.31Å; E119-R123 PolarHBondContact O-N 2.75Å; E119-L152 HydrophobicContact CB-CD2 4.4Å; E119-L152 HydrophobicContact CG-CD2 4.24Å; E119-M156 HydrophobicContact CG-CE 3.94Å; E119-M156 HydrophobicContact CG-CG 3.92Å; E119-M156 HydrophobicContact CG-SD 4.11Å; E119-M156 WeakPolarHBondContact OE1-CG 3.22Å
120Q84.6Confident84.5Confident46 Ų4643.3 Ų43.322%0.21520%0.202CC..Hα-helixtrans-66.8-39.2179.1-163.9-147.819.400111.6L100 L102 Q116 L117 R123 N124L100-Q120 PolarHBondContact O-NE2 2.91Å; L102-Q120 VanDerWaalsContact CD1-OE1 3.24Å; L102-Q120 HydrophobicContact CD2-CB 3.71Å; L102-Q120 HydrophobicContact CD2-CG 3.74Å; Q116-Q120 WeakPolarHBondContact O-CB 3.07Å; Q116-Q120 PolarHBondContact O-N 2.86Å; L117-Q120 PolarHBondContact O-N 3.47Å; Q120-R123 PolarHBondContact O-N 3.44Å; Q120-N124 WeakPolarHBondContact O-CB 3.42Å; Q120-N124 VanDerWaalsContact O-CG 3.29Å; Q120-N124 PolarHBondContact O-N 2.91Å; Q120-N124 PolarHBondContact O-ND2 3.11Å; Q120-N124 VanDerWaalsContact O-ND2 3.09Å
121F82.6Confident83.8Confident10 Ų1047.8 Ų47.84%0.04422%0.222CC..Hα-helixtrans-60.9-46.3174.8176.6-104.1000111.4L117 L118 N124 T125 L169 L173 I176 L177 L223L117-F121 VanDerWaalsContact O-CB 3.22Å; L117-F121 WeakPolarHBondContact O-CB 3.47Å; L117-F121 PolarHBondContact O-N 2.92Å; L118-F121 PolarHBondContact O-N 2.92Å; F121-N124 PolarHBondContact O-N 3.38Å; F121-T125 VanDerWaalsContact O-CB 3.27Å; F121-T125 WeakPolarHBondContact O-CB 3.42Å; F121-T125 PolarHBondContact O-N 3.47Å; F121-T125 PolarHBondContact O-OG1 2.66Å; F121-L169 HydrophobicContact CE1-CD2 4.48Å; F121-L173 HydrophobicContact CE1-CD1 3.94Å; F121-L173 HydrophobicContact CZ-CD1 3.86Å; F121-I176 HydrophobicContact CE1-CG2 4Å; F121-I176 HydrophobicContact CZ-CG2 3.54Å; F121-L177 HydrophobicContact CE2-CD2 3.72Å; F121-L177 HydrophobicContact CZ-CD2 4.05Å; F121-L177 HydrophobicContact CZ-CG 4.37Å; F121-L223 HydrophobicContact CB-CD2 3.77Å; F121-L223 HydrophobicContact CD1-CD1 4.17Å; F121-L223 HydrophobicContact CD1-CD2 4.07Å; F121-L223 HydrophobicContact CD2-CD1 3.54Å; F121-L223 HydrophobicContact CD2-CD2 4.23Å; F121-L223 HydrophobicContact CE1-CD1 4.18Å; F121-L223 HydrophobicContact CE2-CD1 3.56Å; F121-L223 HydrophobicContact CG-CD1 3.84Å; F121-L223 HydrophobicContact CG-CD2 3.75Å; F121-L223 HydrophobicContact CG-CG 4.48Å; F121-L223 HydrophobicContact CZ-CD1 3.87Å
122L80Confident83.3Confident5 Ų550.4 Ų50.43%0.02624%0.236CC..Hα-helixtrans-61-48.6175.7-81.2171000111.6L118 E119 N124 T125 W126 F137 L152 L155 M156 L169L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 WeakPolarHBondContact O-CG 3.3Å; L118-L122 PolarHBondContact O-N 3.37Å; E119-L122 PolarHBondContact O-N 2.89Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-N124 PolarHBondContact O-N 3.28Å; L122-T125 PolarHBondContact O-N 3.35Å; L122-W126 WeakPolarHBondContact O-CB 3.32Å; L122-W126 PolarHBondContact O-N 3.31Å; L122-F137 HydrophobicContact CD2-CE2 4.22Å; L122-F137 HydrophobicContact CD2-CZ 3.91Å; L122-L152 HydrophobicContact CB-CD2 4.08Å; L122-L152 HydrophobicContact CD1-CD2 3.8Å; L122-L155 HydrophobicContact CD1-CD1 3.88Å; L122-M156 HydrophobicContact CD1-CE 4.11Å; L122-L169 HydrophobicContact CD1-CD1 4.23Å; L122-L169 HydrophobicContact CD2-CD1 3.9Å; L122-L169 HydrophobicContact CD2-CD2 3.77Å; L122-L169 HydrophobicContact CD2-CG 4.32Å; L122-L169 HydrophobicContact CG-CD1 4.15Å
123R83.2Confident82.6Confident78 Ų7848.9 Ų48.929%0.29423%0.228SC..Hα-helixtrans-55.9-45.3176.8-71.6165.2-173.7-85-6112.3E119 Q120 K127 L148 E149 L152E119-R123 WeakPolarHBondContact O-CB 3.35Å; E119-R123 WeakPolarHBondContact O-CD 3.48Å; E119-R123 WeakPolarHBondContact O-CG 3.31Å; E119-R123 PolarHBondContact O-N 2.75Å; Q120-R123 PolarHBondContact O-N 3.44Å; R123-K127 VanDerWaalsContact O-CG 3.25Å; R123-K127 WeakPolarHBondContact O-CG 3.25Å; R123-K127 PolarHBondContact O-N 2.89Å; R123-L148 HydrophobicContact CB-CD2 4.32Å; R123-L148 HydrophobicContact CG-CD2 3.99Å; R123-E149 IonicContact CZ-OE1 2.9Å; R123-E149 IonicContact CZ-OE2 3.16Å; R123-E149 IonicContact NH1-OE1 3.48Å; R123-E149 PolarHBondContact NH1-OE1 2.92Å; R123-E149 IonicContact NH1-OE2 3.33Å; R123-E149 PolarHBondContact NH1-OE2 3.32Å; R123-E149 IonicContact NH2-OE1 3.57Å; R123-E149 IonicContact NH2-OE2 3.87Å; R123-E149 PolarHBondContact NH2-OE2 3.19Å; R123-L152 HydrophobicContact CG-CD1 3.73Å; R123-L152 VanDerWaalsContact CZ-CD1 3.4Å; R123-L152 VanDerWaalsContact NH2-CD1 3.32Å
124N77.9Confident81.9Confident45 Ų4550.8 Ų50.824%0.24124%0.237CC..Hα-helixtrans-73.2-35.9-178.9-70.9-33.1000112.1Q120 F121 L122 N128 L186Q120-N124 WeakPolarHBondContact O-CB 3.42Å; Q120-N124 VanDerWaalsContact O-CG 3.29Å; Q120-N124 PolarHBondContact O-N 2.91Å; Q120-N124 PolarHBondContact O-ND2 3.11Å; Q120-N124 VanDerWaalsContact O-ND2 3.09Å; F121-N124 PolarHBondContact O-N 3.38Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-N124 PolarHBondContact O-N 3.28Å; N124-N128 PolarHBondContact O-ND2 3.23Å; N124-L186 HydrophobicContact CB-CD2 3.7Å; N124-L186 WeakPolarHBondContact ND2-CD2 3.34Å
125T75.6Confident81.3Confident10 Ų1054.9 Ų54.96%0.06126%0.256CS..Hα-helixtrans-68.5-49.1176.2-58.80000110.7F121 L122 K127 N128 M129 I176F121-T125 VanDerWaalsContact O-CB 3.27Å; F121-T125 WeakPolarHBondContact O-CB 3.42Å; F121-T125 PolarHBondContact O-N 3.47Å; F121-T125 PolarHBondContact O-OG1 2.66Å; L122-T125 PolarHBondContact O-N 3.35Å; T125-K127 VanDerWaalsContact C-N 3.33Å; T125-K127 PolarHBondContact O-N 2.68Å; T125-N128 CarbonylContact O-C 3.53Å; T125-N128 WeakPolarHBondContact O-CA 3.27Å; T125-N128 PolarHBondContact O-N 2.83Å; T125-M129 HydrophobicContact CG2-CE 3.36Å; T125-M129 HydrophobicContact CG2-CG 4.16Å; T125-M129 HydrophobicContact CG2-SD 3.84Å; T125-M129 WeakPolarHBondContact O-CG 3.42Å; T125-M129 PolarHBondContact O-N 3.11Å; T125-I176 HydrophobicContact CG2-CG2 3.38Å
126W78.9Confident80.7Confident29 Ų2956 Ų5611%0.1126%0.261CS..Hα-helixtrans-58.9-40.3-178.6-172.4-94.7000113.4L122 N128 M129 K134 F137 L138 L148L122-W126 WeakPolarHBondContact O-CB 3.32Å; L122-W126 PolarHBondContact O-N 3.31Å; W126-N128 PolarHBondContact O-N 3.41Å; W126-M129 HydrophobicContact CE3-SD 4.3Å; W126-M129 PolarHBondContact O-N 3.44Å; W126-K134 HydrophobicContact CD2-CD 4.44Å; W126-K134 HydrophobicContact CD2-CG 4.14Å; W126-K134 HydrophobicContact CE3-CG 4.14Å; W126-K134 HydrophobicContact CH2-CB 3.85Å; W126-K134 HydrophobicContact CH2-CD 4.43Å; W126-K134 HydrophobicContact CH2-CG 3.92Å; W126-K134 HydrophobicContact CZ2-CB 4.17Å; W126-K134 HydrophobicContact CZ2-CD 3.96Å; W126-K134 HydrophobicContact CZ2-CG 3.93Å; W126-K134 HydrophobicContact CZ3-CB 4.16Å; W126-K134 HydrophobicContact CZ3-CG 4.01Å; W126-K134 WeakPolarHBondContact O-CE 3.26Å; W126-F137 HydrophobicContact CE3-CD1 4.3Å; W126-F137 HydrophobicContact CH2-CD1 4.49Å; W126-F137 HydrophobicContact CZ3-CB 4.28Å; W126-F137 AromaticContact CZ3-CD1 3.57Å; W126-F137 HydrophobicContact CZ3-CD1 3.57Å; W126-F137 HydrophobicContact CZ3-CE1 4.21Å; W126-F137 HydrophobicContact CZ3-CG 4.16Å; W126-L138 HydrophobicContact CH2-CD1 4.05Å; W126-L138 HydrophobicContact CH2-CD2 3.7Å; W126-L138 HydrophobicContact CH2-CG 3.74Å; W126-L138 HydrophobicContact CZ3-CD2 4.39Å; W126-L138 HydrophobicContact CZ3-CG 4.48Å; W126-L148 HydrophobicContact CB-CD1 4.27Å; W126-L148 HydrophobicContact CB-CD2 3.49Å; W126-L148 VanDerWaalsContact CB-CD2 3.49Å; W126-L148 HydrophobicContact CB-CG 4.31Å; W126-L148 HydrophobicContact CD2-CB 3.94Å; W126-L148 HydrophobicContact CD2-CD1 3.98Å; W126-L148 HydrophobicContact CD2-CD2 4.38Å; W126-L148 HydrophobicContact CD2-CG 4.31Å; W126-L148 HydrophobicContact CE3-CD1 4.07Å; W126-L148 HydrophobicContact CG-CB 3.82Å; W126-L148 HydrophobicContact CG-CD1 4.1Å; W126-L148 HydrophobicContact CG-CD2 3.64Å; W126-L148 HydrophobicContact CG-CG 4.05Å
127K79.7Confident80.1Confident156 Ų15653.2 Ų53.268%0.67825%0.248SC*.Hα-helixtrans-62.5-25.8174.9-75.8175.7-177.9-176.60113.3R123 T125R123-K127 VanDerWaalsContact O-CG 3.25Å; R123-K127 WeakPolarHBondContact O-CG 3.25Å; R123-K127 PolarHBondContact O-N 2.89Å; T125-K127 VanDerWaalsContact C-N 3.33Å; T125-K127 PolarHBondContact O-N 2.68Å
128N73.2Confident79.5Confident77 Ų7753.5 Ų53.541%0.41225%0.25SC..THydrogen-bonded Turntrans-104.81.1-177.6-65.9-48.7000112.9N124 T125 W126 H180N124-N128 PolarHBondContact O-ND2 3.23Å; T125-N128 CarbonylContact O-C 3.53Å; T125-N128 WeakPolarHBondContact O-CA 3.27Å; T125-N128 PolarHBondContact O-N 2.83Å; W126-N128 PolarHBondContact O-N 3.41Å; N128-H180 PolarHBondContact O-CE1 2.67Å; N128-H180 VanDerWaalsContact O-CE1 3.24Å; N128-H180 PolarHBondContact O-ND1 3.08Å
129M74.1Confident79.1Confident19 Ų1961.3 Ų61.39%0.09429%0.285CS..  trans-82.6138173.2-78.6165.8160.300110.2T125 W126 H133 K134 I176 H180T125-M129 HydrophobicContact CG2-CE 3.36Å; T125-M129 HydrophobicContact CG2-CG 4.16Å; T125-M129 HydrophobicContact CG2-SD 3.84Å; T125-M129 WeakPolarHBondContact O-CG 3.42Å; T125-M129 PolarHBondContact O-N 3.11Å; W126-M129 HydrophobicContact CE3-SD 4.3Å; W126-M129 PolarHBondContact O-N 3.44Å; M129-H133 HydrophobicContact CB-CB 4.4Å; M129-H133 HydrophobicContact CG-CB 4.34Å; M129-K134 HydrophobicContact CB-CG 3.82Å; M129-K134 VanDerWaalsContact O-CE 3.23Å; M129-K134 WeakPolarHBondContact O-CE 3.34Å; M129-K134 PolarHBondContact O-NZ 3.17Å; M129-I176 HydrophobicContact CE-CD1 4.49Å; M129-I176 HydrophobicContact CE-CG1 4.14Å; M129-H180 VanDerWaalsContact CG-CE1 3.41Å; M129-H180 WeakPolarHBondContact CG-CE1 3.22Å; M129-H180 VanDerWaalsContact CG-NE2 3.27Å; M129-H180 WeakPolarHBondContact CG-NE2 3.24Å
130D79Confident78.3Confident70 Ų7061.5 Ų61.537%0.37430%0.295SS..  trans-70.3173.4164.758.134.4000110.5E132 H133 K134D130-E132 PolarHBondContact OD1-N 2.84Å; D130-H133 VanDerWaalsContact OD1-CB 3.26Å; D130-H133 WeakPolarHBondContact OD1-CB 3.45Å; D130-H133 IonicContact OD1-CE1 2.83Å; D130-H133 IonicContact OD1-CG 2.81Å; D130-H133 VanDerWaalsContact OD1-CG 3.24Å; D130-H133 PolarHBondContact OD1-N 3.38Å; D130-H133 IonicContact OD1-ND1 3.07Å; D130-H133 PolarHBondContact OD1-ND1 3.42Å; D130-H133 IonicContact OD2-CE1 2.63Å; D130-H133 PolarHBondContact OD2-CE1 3.45Å; D130-H133 IonicContact OD2-ND1 3.77Å; D130-H133 PolarHBondContact OD2-ND1 2.87Å; D130-K134 WeakPolarHBondContact O-CG 3.33Å; D130-K134 PolarHBondContact O-N 3Å; D130-K134 VanDerWaalsContact O-N 3.1Å
131E80.9Confident77.5Confident104 Ų10459.7 Ų59.749%0.48629%0.287SS..Hα-helixtrans-69.1-37-175.2-164.455.8-145.600111.4H133 K134 Q135E131-H133 PolarHBondContact O-N 2.85Å; E131-K134 PolarHBondContact O-N 2.85Å; E131-K134 IonicContact OE2-NZ 2.63Å; E131-Q135 VanDerWaalsContact O-CG 3.3Å; E131-Q135 WeakPolarHBondContact O-CG 3.11Å; E131-Q135 PolarHBondContact O-N 2.63Å; E131-Q135 PolarHBondContact OE1-NE2 2.78Å
132E80.7Confident76.9Confident142 Ų14265.7 Ų65.766%0.66432%0.32SS*.Hα-helixtrans-60.9-46.3177.8-62.787.8177.300112.2D130 Q135 E136D130-E132 PolarHBondContact OD1-N 2.84Å; E132-Q135 PolarHBondContact O-N 3.22Å; E132-E136 PolarHBondContact O-N 3.42Å
133H77.5Confident76.2Confident56 Ų5666.5 Ų66.526%0.25933%0.327SS..Hα-helixtrans-69.8-32.6178.1-68.5110000112.5M129 D130 E131 E136 F137M129-H133 HydrophobicContact CB-CB 4.4Å; M129-H133 HydrophobicContact CG-CB 4.34Å; D130-H133 VanDerWaalsContact OD1-CB 3.26Å; D130-H133 WeakPolarHBondContact OD1-CB 3.45Å; D130-H133 IonicContact OD1-CE1 2.83Å; D130-H133 IonicContact OD1-CG 2.81Å; D130-H133 VanDerWaalsContact OD1-CG 3.24Å; D130-H133 PolarHBondContact OD1-N 3.38Å; D130-H133 IonicContact OD1-ND1 3.07Å; D130-H133 PolarHBondContact OD1-ND1 3.42Å; D130-H133 IonicContact OD2-CE1 2.63Å; D130-H133 PolarHBondContact OD2-CE1 3.45Å; D130-H133 IonicContact OD2-ND1 3.77Å; D130-H133 PolarHBondContact OD2-ND1 2.87Å; E131-H133 PolarHBondContact O-N 2.85Å; H133-E136 IonicContact CD2-OE2 2.9Å; H133-F137 WeakPolarHBondContact O-CB 3.01Å; H133-F137 PolarHBondContact O-N 3.36Å
134K80.1Confident75.4Confident42 Ų4274.3 Ų74.318%0.18336%0.357CS..Hα-helixtrans-63.1-45.3171.8-75.4174.4-171158.90111W126 M129 D130 E131 F137 L138W126-K134 HydrophobicContact CD2-CD 4.44Å; W126-K134 HydrophobicContact CD2-CG 4.14Å; W126-K134 HydrophobicContact CE3-CG 4.14Å; W126-K134 HydrophobicContact CH2-CB 3.85Å; W126-K134 HydrophobicContact CH2-CD 4.43Å; W126-K134 HydrophobicContact CH2-CG 3.92Å; W126-K134 HydrophobicContact CZ2-CB 4.17Å; W126-K134 HydrophobicContact CZ2-CD 3.96Å; W126-K134 HydrophobicContact CZ2-CG 3.93Å; W126-K134 HydrophobicContact CZ3-CB 4.16Å; W126-K134 HydrophobicContact CZ3-CG 4.01Å; W126-K134 WeakPolarHBondContact O-CE 3.26Å; M129-K134 HydrophobicContact CB-CG 3.82Å; M129-K134 VanDerWaalsContact O-CE 3.23Å; M129-K134 WeakPolarHBondContact O-CE 3.34Å; M129-K134 PolarHBondContact O-NZ 3.17Å; D130-K134 WeakPolarHBondContact O-CG 3.33Å; D130-K134 PolarHBondContact O-N 3Å; D130-K134 VanDerWaalsContact O-N 3.1Å; E131-K134 PolarHBondContact O-N 2.85Å; E131-K134 IonicContact OE2-NZ 2.63Å; K134-F137 WeakPolarHBondContact O-CB 3.43Å; K134-F137 PolarHBondContact O-N 2.87Å; K134-L138 WeakPolarHBondContact O-CG 3.1Å; K134-L138 PolarHBondContact O-N 3.48Å
135Q79.9Confident74.8Confident88 Ų8873.5 Ų73.541%0.41135%0.353SS..Hα-helixtrans-65-40.3177.8-66-56.6-37.800112E131 E132 F137 L138 H139E131-Q135 VanDerWaalsContact O-CG 3.3Å; E131-Q135 WeakPolarHBondContact O-CG 3.11Å; E131-Q135 PolarHBondContact O-N 2.63Å; E131-Q135 PolarHBondContact OE1-NE2 2.78Å; E132-Q135 PolarHBondContact O-N 3.22Å; Q135-F137 VanDerWaalsContact C-N 3.28Å; Q135-F137 PolarHBondContact O-N 2.88Å; Q135-L138 PolarHBondContact O-N 3.32Å; Q135-H139 VanDerWaalsContact O-CB 3.29Å; Q135-H139 WeakPolarHBondContact O-CB 3.47Å; Q135-H139 PolarHBondContact O-N 3.01Å
136E77.6Confident74.6Confident80 Ų8078.5 Ų78.537%0.37438%0.38SS..Hα-helixtrans-58.5-42.4172.3-169.4-170.3173.600111.1E132 H133 A140 R175E132-E136 PolarHBondContact O-N 3.42Å; H133-E136 IonicContact CD2-OE2 2.9Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.22Å; E136-A140 VanDerWaalsContact O-N 3.09Å; E136-R175 IonicContact OE1-CZ 3.11Å; E136-R175 VanDerWaalsContact OE1-CZ 3.3Å; E136-R175 IonicContact OE1-NH1 3.24Å; E136-R175 PolarHBondContact OE1-NH1 3.32Å; E136-R175 IonicContact OE1-NH2 3.82Å; E136-R175 PolarHBondContact OE1-NH2 3.3Å; E136-R175 IonicContact OE2-CZ 2.77Å; E136-R175 IonicContact OE2-NH1 2.68Å; E136-R175 PolarHBondContact OE2-NH1 3.41Å; E136-R175 IonicContact OE2-NH2 3.46Å; E136-R175 PolarHBondContact OE2-NH2 2.87Å; E136-R175 VanDerWaalsContact OE2-NH2 3.16Å
137F75.5Confident74.6Confident12 Ų1282.8 Ų82.85%0.05340%0.401CS..Hα-helixtrans-64.3-50.2176.2-176-88.3000111.8L122 W126 H133 K134 Q135 H139 A140 V141 L151 V165 L168 L169L122-F137 HydrophobicContact CD2-CE2 4.22Å; L122-F137 HydrophobicContact CD2-CZ 3.91Å; W126-F137 HydrophobicContact CE3-CD1 4.3Å; W126-F137 HydrophobicContact CH2-CD1 4.49Å; W126-F137 HydrophobicContact CZ3-CB 4.28Å; W126-F137 AromaticContact CZ3-CD1 3.57Å; W126-F137 HydrophobicContact CZ3-CD1 3.57Å; W126-F137 HydrophobicContact CZ3-CE1 4.21Å; W126-F137 HydrophobicContact CZ3-CG 4.16Å; H133-F137 WeakPolarHBondContact O-CB 3.01Å; H133-F137 PolarHBondContact O-N 3.36Å; K134-F137 WeakPolarHBondContact O-CB 3.43Å; K134-F137 PolarHBondContact O-N 2.87Å; Q135-F137 VanDerWaalsContact C-N 3.28Å; Q135-F137 PolarHBondContact O-N 2.88Å; F137-H139 PolarHBondContact O-N 3.05Å; F137-A140 PolarHBondContact O-N 3.39Å; F137-V141 HydrophobicContact CD1-CG1 4.4Å; F137-V141 HydrophobicContact CE1-CG1 4.15Å; F137-V141 HydrophobicContact CE1-CG2 4.48Å; F137-V141 HydrophobicContact CZ-CG1 4.26Å; F137-V141 WeakPolarHBondContact O-CG1 3.46Å; F137-V141 WeakPolarHBondContact O-CG2 3.48Å; F137-V141 PolarHBondContact O-N 2.87Å; F137-L151 HydrophobicContact CD1-CD2 4.48Å; F137-L151 HydrophobicContact CE1-CD2 3.85Å; F137-V165 HydrophobicContact CE2-CG1 4.31Å; F137-V165 HydrophobicContact CZ-CG1 3.77Å; F137-L168 HydrophobicContact CD2-CD2 3.43Å; F137-L168 VanDerWaalsContact CD2-CD2 3.43Å; F137-L168 HydrophobicContact CD2-CG 4.33Å; F137-L168 HydrophobicContact CE2-CD2 3.71Å; F137-L168 HydrophobicContact CE2-CG 4.49Å; F137-L168 HydrophobicContact CG-CD2 4.03Å; F137-L169 HydrophobicContact CE2-CD2 4Å; F137-L169 HydrophobicContact CE2-CG 4.43Å
138L77.2Confident74.5Confident8 Ų875.8 Ų75.84%0.04237%0.371CS..Hα-helixtrans-59.8-43.8180-69.1176.3000112.4W126 K134 Q135 A140 V141 D142 A143 V145 N146 L151W126-L138 HydrophobicContact CH2-CD1 4.05Å; W126-L138 HydrophobicContact CH2-CD2 3.7Å; W126-L138 HydrophobicContact CH2-CG 3.74Å; W126-L138 HydrophobicContact CZ3-CD2 4.39Å; W126-L138 HydrophobicContact CZ3-CG 4.48Å; K134-L138 WeakPolarHBondContact O-CG 3.1Å; K134-L138 PolarHBondContact O-N 3.48Å; Q135-L138 PolarHBondContact O-N 3.32Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 3.44Å; L138-V141 VanDerWaalsContact O-CG2 3.3Å; L138-V141 WeakPolarHBondContact O-CG2 3.32Å; L138-V141 PolarHBondContact O-N 3.37Å; L138-D142 PolarHBondContact O-N 2.87Å; L138-A143 HydrophobicContact CD2-CB 4.32Å; L138-A143 PolarHBondContact O-N 3.25Å; L138-V145 WeakPolarHBondContact CD2-O 3.45Å; L138-N146 HydrophobicContact CD1-CB 4.44Å; L138-L151 HydrophobicContact CD2-CD2 4.01Å
139H77.3Confident74.8Confident164 Ų16476.5 Ų76.576%0.75937%0.372SS*.Hα-helixtrans-62-41.8176.9-177.8-84.6000111.6Q135 F137 V141 D142Q135-H139 VanDerWaalsContact O-CB 3.29Å; Q135-H139 WeakPolarHBondContact O-CB 3.47Å; Q135-H139 PolarHBondContact O-N 3.01Å; F137-H139 PolarHBondContact O-N 3.05Å; H139-V141 VanDerWaalsContact C-N 3.26Å; H139-V141 PolarHBondContact O-N 3.49Å; H139-D142 PolarHBondContact O-N 3.23Å
140A70.1Confident75Confident50 Ų5080.9 Ų80.941%0.41339%0.392SS..Hα-helixtrans-70.2-21.6-179.500000113.9E136 F137 L138 L168E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.22Å; E136-A140 VanDerWaalsContact O-N 3.09Å; F137-A140 PolarHBondContact O-N 3.39Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 3.44Å; A140-L168 HydrophobicContact CB-CD1 3.6Å; A140-L168 HydrophobicContact CB-CD2 3.54Å; A140-L168 HydrophobicContact CB-CG 4.14Å
141V67.7Low74.9Confident8 Ų877.7 Ų77.75%0.04838%0.375CS..THydrogen-bonded Turntrans-98.81.9178-52.40000113.1F137 L138 H139 A143 L151 V165 L168F137-V141 HydrophobicContact CD1-CG1 4.4Å; F137-V141 HydrophobicContact CE1-CG1 4.15Å; F137-V141 HydrophobicContact CE1-CG2 4.48Å; F137-V141 HydrophobicContact CZ-CG1 4.26Å; F137-V141 WeakPolarHBondContact O-CG1 3.46Å; F137-V141 WeakPolarHBondContact O-CG2 3.48Å; F137-V141 PolarHBondContact O-N 2.87Å; L138-V141 VanDerWaalsContact O-CG2 3.3Å; L138-V141 WeakPolarHBondContact O-CG2 3.32Å; L138-V141 PolarHBondContact O-N 3.37Å; H139-V141 VanDerWaalsContact C-N 3.26Å; H139-V141 PolarHBondContact O-N 3.49Å; V141-A143 HydrophobicContact CG2-CB 3.51Å; V141-A143 PolarHBondContact O-N 2.87Å; V141-A143 VanDerWaalsContact O-N 3.11Å; V141-L151 HydrophobicContact CG2-CD2 4.39Å; V141-V165 HydrophobicContact CB-CG2 3.64Å; V141-V165 HydrophobicContact CG1-CB 4.2Å; V141-V165 HydrophobicContact CG1-CG2 3.22Å; V141-L168 HydrophobicContact CG1-CD2 3.57Å
142D69Low74.9Confident137 Ų13772.9 Ų72.973%0.73335%0.352SS*.THydrogen-bonded Turntrans47.134.3-173-165.532.9000112.7L138 H139 R144L138-D142 PolarHBondContact O-N 2.87Å; H139-D142 PolarHBondContact O-N 3.23Å; D142-R144 PolarHBondContact O-N 3.07Å
143A66.5Low74.8Confident22 Ų2269 Ų6918%0.18234%0.339CS..  trans-80.9124.3-179.500000109.4L138 V141 V145 L151L138-A143 HydrophobicContact CD2-CB 4.32Å; L138-A143 PolarHBondContact O-N 3.25Å; V141-A143 HydrophobicContact CG2-CB 3.51Å; V141-A143 PolarHBondContact O-N 2.87Å; V141-A143 VanDerWaalsContact O-N 3.11Å; A143-V145 PolarHBondContact O-N 3.37Å; A143-L151 HydrophobicContact CB-CD1 3.64Å; A143-L151 HydrophobicContact CB-CD2 4.49Å
144R65.3Low74.5Confident242 Ų24270.1 Ų70.191%0.91335%0.347SS*.SBendtrans-75.17.8168-60.4-174.1-177.8-1760.5113.3D142D142-R144 PolarHBondContact O-N 3.07Å
145V66.4Low74.1Confident28 Ų2868.1 Ų68.117%0.1734%0.338CS..  trans-117.5122.2-168.91750000108.4L138 A143 E147 E150 L151 L154L138-V145 WeakPolarHBondContact CD2-O 3.45Å; A143-V145 PolarHBondContact O-N 3.37Å; V145-E147 WeakPolarHBondContact CG1-O 3.3Å; V145-E150 HydrophobicContact CG1-CB 3.36Å; V145-E150 HydrophobicContact CG1-CG 4.4Å; V145-E150 WeakPolarHBondContact CG1-OE2 3.47Å; V145-L151 HydrophobicContact CG1-CB 4.5Å; V145-L154 HydrophobicContact CG2-CD1 4.2Å
146N71.4Confident73.8Confident115 Ų11565 Ų6562%0.61532%0.324SS*.  trans-89.5-15.5-177.5-63.5-24.1000113.1L138L138-N146 HydrophobicContact CD1-CB 4.44Å
147E77.3Confident73.6Confident119 Ų11969.7 Ų69.756%0.55634%0.343SS*.  trans-96.1126.6-178.6-62.8-163.7-178.600111.7V145 E149 E150 L151V145-E147 WeakPolarHBondContact CG1-O 3.3Å; E147-E149 VanDerWaalsContact C-N 3.25Å; E147-E149 PolarHBondContact O-N 3.34Å; E147-E150 HydrophobicContact CB-CB 4.38Å; E147-E150 HydrophobicContact CB-CG 4.23Å; E147-E150 PolarHBondContact O-N 3.3Å; E147-L151 WeakPolarHBondContact O-CB 3.28Å; E147-L151 PolarHBondContact O-N 2.58Å
148L77.5Confident73.5Confident9 Ų972.3 Ų72.35%0.04736%0.358CS..Hα-helixtrans-58.9-37.5178.9-177.573.4000112.5R123 W126 E150 L151 L152R123-L148 HydrophobicContact CB-CD2 4.32Å; R123-L148 HydrophobicContact CG-CD2 3.99Å; W126-L148 HydrophobicContact CB-CD1 4.27Å; W126-L148 HydrophobicContact CB-CD2 3.49Å; W126-L148 VanDerWaalsContact CB-CD2 3.49Å; W126-L148 HydrophobicContact CB-CG 4.31Å; W126-L148 HydrophobicContact CD2-CB 3.94Å; W126-L148 HydrophobicContact CD2-CD1 3.98Å; W126-L148 HydrophobicContact CD2-CD2 4.38Å; W126-L148 HydrophobicContact CD2-CG 4.31Å; W126-L148 HydrophobicContact CE3-CD1 4.07Å; W126-L148 HydrophobicContact CG-CB 3.82Å; W126-L148 HydrophobicContact CG-CD1 4.1Å; W126-L148 HydrophobicContact CG-CD2 3.64Å; W126-L148 HydrophobicContact CG-CG 4.05Å; L148-E150 VanDerWaalsContact C-N 3.28Å; L148-E150 PolarHBondContact O-N 3.48Å; L148-L151 CarbonylContact O-C 3.55Å; L148-L151 WeakPolarHBondContact O-CB 3.46Å; L148-L151 PolarHBondContact O-N 2.95Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-L152 HydrophobicContact CD1-CD2 4.46Å; L148-L152 HydrophobicContact CD1-CG 4.22Å; L148-L152 HydrophobicContact CD2-CD1 4.19Å; L148-L152 HydrophobicContact CG-CD1 3.99Å; L148-L152 HydrophobicContact CG-CG 3.99Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.33Å; L148-L152 PolarHBondContact O-N 3.37Å
149E81.2Confident73.4Confident92 Ų9277.4 Ų77.443%0.4338%0.38SS..Hα-helixtrans-67.5-30.8-176.8-64.2-55.8143.200112.8R123 E147 P153R123-E149 IonicContact CZ-OE1 2.9Å; R123-E149 IonicContact CZ-OE2 3.16Å; R123-E149 IonicContact NH1-OE1 3.48Å; R123-E149 PolarHBondContact NH1-OE1 2.92Å; R123-E149 IonicContact NH1-OE2 3.33Å; R123-E149 PolarHBondContact NH1-OE2 3.32Å; R123-E149 IonicContact NH2-OE1 3.57Å; R123-E149 IonicContact NH2-OE2 3.87Å; R123-E149 PolarHBondContact NH2-OE2 3.19Å; E147-E149 VanDerWaalsContact C-N 3.25Å; E147-E149 PolarHBondContact O-N 3.34Å; E149-P153 WeakPolarHBondContact O-CD 3.22Å
150E78Confident73.1Confident111 Ų11175.9 Ų75.952%0.51938%0.376SS..Hα-helixtrans-78.4-33.7171.8-67.4-174.5179.600111.3V145 E147 L148V145-E150 HydrophobicContact CG1-CB 3.36Å; V145-E150 HydrophobicContact CG1-CG 4.4Å; V145-E150 WeakPolarHBondContact CG1-OE2 3.47Å; E147-E150 HydrophobicContact CB-CB 4.38Å; E147-E150 HydrophobicContact CB-CG 4.23Å; E147-E150 PolarHBondContact O-N 3.3Å; L148-E150 VanDerWaalsContact C-N 3.28Å; L148-E150 PolarHBondContact O-N 3.48Å
151L76.1Confident73Confident2 Ų275.9 Ų75.91%0.0137%0.369CS..Hα-helixtrans-68-45.7177.1-173.955.7000111.3F137 L138 V141 A143 V145 E147 L148 L154 L155F137-L151 HydrophobicContact CD1-CD2 4.48Å; F137-L151 HydrophobicContact CE1-CD2 3.85Å; L138-L151 HydrophobicContact CD2-CD2 4.01Å; V141-L151 HydrophobicContact CG2-CD2 4.39Å; A143-L151 HydrophobicContact CB-CD1 3.64Å; A143-L151 HydrophobicContact CB-CD2 4.49Å; V145-L151 HydrophobicContact CG1-CB 4.5Å; E147-L151 WeakPolarHBondContact O-CB 3.28Å; E147-L151 PolarHBondContact O-N 2.58Å; L148-L151 CarbonylContact O-C 3.55Å; L148-L151 WeakPolarHBondContact O-CB 3.46Å; L148-L151 PolarHBondContact O-N 2.95Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L151-L154 CarbonylContact O-C 3.56Å; L151-L154 WeakPolarHBondContact O-CA 3.23Å; L151-L154 VanDerWaalsContact O-CB 3.31Å; L151-L154 WeakPolarHBondContact O-CB 3.32Å; L151-L154 PolarHBondContact O-N 2.99Å; L151-L155 HydrophobicContact CD1-CD2 3.7Å; L151-L155 HydrophobicContact CD1-CG 3.99Å; L151-L155 HydrophobicContact CD2-CD1 4.3Å; L151-L155 HydrophobicContact CG-CD1 3.85Å; L151-L155 HydrophobicContact CG-CD2 3.91Å; L151-L155 HydrophobicContact CG-CG 3.73Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.31Å; L151-L155 PolarHBondContact O-N 3.5Å
152L80.5Confident73.1Confident3 Ų375.8 Ų75.82%0.01637%0.369CS..Hα-helixtrans-52.4-49-172.8-79169.1000114.3E119 L122 R123 L148 L154 L155 M156E119-L152 HydrophobicContact CB-CD2 4.4Å; E119-L152 HydrophobicContact CG-CD2 4.24Å; L122-L152 HydrophobicContact CB-CD2 4.08Å; L122-L152 HydrophobicContact CD1-CD2 3.8Å; R123-L152 HydrophobicContact CG-CD1 3.73Å; R123-L152 VanDerWaalsContact CZ-CD1 3.4Å; R123-L152 VanDerWaalsContact NH2-CD1 3.32Å; L148-L152 HydrophobicContact CD1-CD2 4.46Å; L148-L152 HydrophobicContact CD1-CG 4.22Å; L148-L152 HydrophobicContact CD2-CD1 4.19Å; L148-L152 HydrophobicContact CG-CD1 3.99Å; L148-L152 HydrophobicContact CG-CG 3.99Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.33Å; L148-L152 PolarHBondContact O-N 3.37Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.01Å; L152-L155 HydrophobicContact CD2-CD1 4.4Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 PolarHBondContact O-N 3.38Å; L152-M156 HydrophobicContact CD2-CE 4.39Å; L152-M156 WeakPolarHBondContact O-CB 3.34Å; L152-M156 VanDerWaalsContact O-CG 3.25Å; L152-M156 WeakPolarHBondContact O-CG 3.45Å; L152-M156 PolarHBondContact O-N 3.27Å
153P78.5Confident73.4Confident61 Ų6172.9 Ų72.940%0.39635%0.35SS..Hα-helixtrans-60.1-40.1175.1-24.533.8000113.2E149 L155 M156 K157E149-P153 WeakPolarHBondContact O-CD 3.22Å; P153-L155 VanDerWaalsContact C-N 3.34Å; P153-M156 PolarHBondContact O-N 3.13Å; P153-K157 VanDerWaalsContact O-CB 3.27Å; P153-K157 WeakPolarHBondContact O-CB 3.37Å; P153-K157 VanDerWaalsContact O-CG 3.32Å; P153-K157 WeakPolarHBondContact O-CG 3.37Å; P153-K157 PolarHBondContact O-N 3.11Å
154L71.7Confident73.7Confident79 Ų7973.4 Ų73.441%0.41436%0.358SS..Hα-helixtrans-63.1-45.5175.8-62.7172.7000109.9V145 L151 L152 M156 K157 D158 L161V145-L154 HydrophobicContact CG2-CD1 4.2Å; L151-L154 CarbonylContact O-C 3.56Å; L151-L154 WeakPolarHBondContact O-CA 3.23Å; L151-L154 VanDerWaalsContact O-CB 3.31Å; L151-L154 WeakPolarHBondContact O-CB 3.32Å; L151-L154 PolarHBondContact O-N 2.99Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.01Å; L154-M156 VanDerWaalsContact C-N 3.31Å; L154-M156 PolarHBondContact O-N 2.67Å; L154-K157 PolarHBondContact O-N 2.77Å; L154-D158 VanDerWaalsContact O-CB 3.23Å; L154-D158 WeakPolarHBondContact O-CB 3.17Å; L154-D158 PolarHBondContact O-N 2.93Å; L154-L161 HydrophobicContact CB-CD1 4.03Å
155L70.7Confident73.9Confident1 Ų161.9 Ų61.91%0.00531%0.314CS..Hα-helixtrans-56.8-47175.8-61.9-173.8000111.2L122 L151 L152 P153 A162 V165 R230L122-L155 HydrophobicContact CD1-CD1 3.88Å; L151-L155 HydrophobicContact CD1-CD2 3.7Å; L151-L155 HydrophobicContact CD1-CG 3.99Å; L151-L155 HydrophobicContact CD2-CD1 4.3Å; L151-L155 HydrophobicContact CG-CD1 3.85Å; L151-L155 HydrophobicContact CG-CD2 3.91Å; L151-L155 HydrophobicContact CG-CG 3.73Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.31Å; L151-L155 PolarHBondContact O-N 3.5Å; L152-L155 HydrophobicContact CD2-CD1 4.4Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 PolarHBondContact O-N 3.38Å; P153-L155 VanDerWaalsContact C-N 3.34Å; L155-A162 WeakPolarHBondContact O-CA 3.3Å; L155-A162 WeakPolarHBondContact O-CB 3.03Å; L155-V165 HydrophobicContact CD1-CG1 3.99Å; L155-V165 HydrophobicContact CD1-CG2 4.43Å; L155-V165 HydrophobicContact CD2-CB 3.89Å; L155-V165 HydrophobicContact CD2-CG1 4.18Å; L155-V165 HydrophobicContact CD2-CG2 3.13Å; L155-V165 HydrophobicContact CG-CG2 4.32Å; L155-R230 PolarHBondContact O-NH2 2.99Å
156M73.7Confident74.4Confident23 Ų2360.6 Ų60.611%0.11331%0.306CS..Hα-helixtrans-79.3-26.8-171.6-63.5-55.1142.600113.6Q115 L118 E119 L122 L152 P153 L154 R230Q115-M156 HydrophobicContact CG-CB 4.45Å; Q115-M156 HydrophobicContact CG-CG 4.08Å; Q115-M156 HydrophobicContact CG-SD 3.66Å; L118-M156 HydrophobicContact CB-CE 4.38Å; E119-M156 HydrophobicContact CG-CE 3.94Å; E119-M156 HydrophobicContact CG-CG 3.92Å; E119-M156 HydrophobicContact CG-SD 4.11Å; E119-M156 WeakPolarHBondContact OE1-CG 3.22Å; L122-M156 HydrophobicContact CD1-CE 4.11Å; L152-M156 HydrophobicContact CD2-CE 4.39Å; L152-M156 WeakPolarHBondContact O-CB 3.34Å; L152-M156 VanDerWaalsContact O-CG 3.25Å; L152-M156 WeakPolarHBondContact O-CG 3.45Å; L152-M156 PolarHBondContact O-N 3.27Å; P153-M156 PolarHBondContact O-N 3.13Å; L154-M156 VanDerWaalsContact C-N 3.31Å; L154-M156 PolarHBondContact O-N 2.67Å; M156-R230 PolarHBondContact SD-NH2 2.9Å
157K75.1Confident74.6Confident177 Ų17759.7 Ų59.777%0.7730%0.298SS*.Hα-helixtrans-99.8-38.3-176.2-65.3178.5178.7-179.40114P153 L154P153-K157 VanDerWaalsContact O-CB 3.27Å; P153-K157 WeakPolarHBondContact O-CB 3.37Å; P153-K157 VanDerWaalsContact O-CG 3.32Å; P153-K157 WeakPolarHBondContact O-CG 3.37Å; P153-K157 PolarHBondContact O-N 3.11Å; L154-K157 PolarHBondContact O-N 2.77Å
158D73.2Confident74.4Confident67 Ų6755 Ų5536%0.35828%0.277SS..  trans-82.3119.7-179.3-175.5-49.4000109.8L154 L160 L161 A162L154-D158 VanDerWaalsContact O-CB 3.23Å; L154-D158 WeakPolarHBondContact O-CB 3.17Å; L154-D158 PolarHBondContact O-N 2.93Å; D158-L160 VanDerWaalsContact C-N 3.35Å; D158-L160 PolarHBondContact O-N 3.49Å; D158-L160 WeakPolarHBondContact OD1-CA 3.4Å; D158-L160 WeakPolarHBondContact OD1-CB 3.49Å; D158-L160 PolarHBondContact OD1-N 2.7Å; D158-L161 HydrophobicContact CB-CB 3.99Å; D158-L161 HydrophobicContact CB-CD1 3.93Å; D158-L161 HydrophobicContact CB-CG 4.1Å; D158-L161 PolarHBondContact OD1-N 3.33Å; D158-A162 WeakPolarHBondContact O-CA 3.44Å; D158-A162 WeakPolarHBondContact O-CB 3.33Å; D158-A162 PolarHBondContact O-N 3.27Å
159K74.3Confident74.3Confident116 Ų11654.7 Ų54.750%0.50428%0.275SS..Hα-helixtrans-63.8-36.7-177.2-67.6-174.4179-174.60113.1K163 A234 V237K159-K163 VanDerWaalsContact O-CB 3.3Å; K159-K163 WeakPolarHBondContact O-CB 3.21Å; K159-K163 PolarHBondContact O-N 2.79Å; K159-A234 HydrophobicContact CB-CB 4.03Å; K159-A234 WeakPolarHBondContact O-CB 3.24Å; K159-V237 HydrophobicContact CD-CG2 4.06Å
160L71.5Confident73.9Confident132 Ų13251.2 Ų51.269%0.69126%0.261SS*.Hα-helixtrans-75.6-44.4-178-66.6178000110.6D158 K163 G164D158-L160 VanDerWaalsContact C-N 3.35Å; D158-L160 PolarHBondContact O-N 3.49Å; D158-L160 WeakPolarHBondContact OD1-CA 3.4Å; D158-L160 WeakPolarHBondContact OD1-CB 3.49Å; D158-L160 PolarHBondContact OD1-N 2.7Å; L160-K163 WeakPolarHBondContact O-CB 3.2Å; L160-K163 PolarHBondContact O-N 2.71Å; L160-G164 PolarHBondContact O-N 3.26Å
161L67.1Low73.8Confident50 Ų5049 Ų4926%0.26226%0.258SS..Hα-helixtrans-65-43173.3-64.1175.4000110.8L154 D158 K163 G164 V165L154-L161 HydrophobicContact CB-CD1 4.03Å; D158-L161 HydrophobicContact CB-CB 3.99Å; D158-L161 HydrophobicContact CB-CD1 3.93Å; D158-L161 HydrophobicContact CB-CG 4.1Å; D158-L161 PolarHBondContact OD1-N 3.33Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.16Å; L161-G164 PolarHBondContact O-N 3.2Å; L161-V165 WeakPolarHBondContact O-CB 3.39Å; L161-V165 VanDerWaalsContact O-CG2 3.26Å; L161-V165 WeakPolarHBondContact O-CG2 3.32Å; L161-V165 PolarHBondContact O-N 2.91Å
162A69.7Low73.8Confident6 Ų651.2 Ų51.25%0.0527%0.268CS..Hα-helixtrans-52.5-46.4172.100000111.3L155 D158 S166L155-A162 WeakPolarHBondContact O-CA 3.3Å; L155-A162 WeakPolarHBondContact O-CB 3.03Å; D158-A162 WeakPolarHBondContact O-CA 3.44Å; D158-A162 WeakPolarHBondContact O-CB 3.33Å; D158-A162 PolarHBondContact O-N 3.27Å; A162-S166 WeakPolarHBondContact O-CB 3.04Å; A162-S166 PolarHBondContact O-N 3.33Å; A162-S166 PolarHBondContact O-OG 3.14Å
163K75.2Confident73.6Confident76 Ų7651.2 Ų51.233%0.3327%0.268SS..Hα-helixtrans-64.9-48.6178.2-179.7175.5176.4170.50111.6K159 L160 L161 V165 S166 H167 M231 A234 T235K159-K163 VanDerWaalsContact O-CB 3.3Å; K159-K163 WeakPolarHBondContact O-CB 3.21Å; K159-K163 PolarHBondContact O-N 2.79Å; L160-K163 WeakPolarHBondContact O-CB 3.2Å; L160-K163 PolarHBondContact O-N 2.71Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.16Å; K163-V165 PolarHBondContact O-N 3.36Å; K163-S166 PolarHBondContact O-N 3.42Å; K163-H167 WeakPolarHBondContact O-CB 3.48Å; K163-H167 PolarHBondContact O-N 3.47Å; K163-M231 HydrophobicContact CG-CB 4.47Å; K163-M231 HydrophobicContact CG-CG 4.3Å; K163-A234 HydrophobicContact CB-CB 3.92Å; K163-A234 HydrophobicContact CD-CB 4.22Å; K163-T235 PolarHBondContact NZ-OG1 2.75Å
164G73.4Confident73.1Confident33 Ų3351 Ų5134%0.3427%0.266SS..Hα-helixtrans-58.6-46.9178.800000112.1L160 L161 H167 L168L160-G164 PolarHBondContact O-N 3.26Å; L161-G164 PolarHBondContact O-N 3.2Å; G164-H167 WeakPolarHBondContact O-CB 3.31Å; G164-H167 PolarHBondContact O-N 3.49Å; G164-L168 PolarHBondContact O-N 3Å
165V69.9Low73.1Confident0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-72.3-37.6179.3179.30000112.1F137 V141 L155 L161 K163 H167 L168 L169F137-V165 HydrophobicContact CE2-CG1 4.31Å; F137-V165 HydrophobicContact CZ-CG1 3.77Å; V141-V165 HydrophobicContact CB-CG2 3.64Å; V141-V165 HydrophobicContact CG1-CB 4.2Å; V141-V165 HydrophobicContact CG1-CG2 3.22Å; L155-V165 HydrophobicContact CD1-CG1 3.99Å; L155-V165 HydrophobicContact CD1-CG2 4.43Å; L155-V165 HydrophobicContact CD2-CB 3.89Å; L155-V165 HydrophobicContact CD2-CG1 4.18Å; L155-V165 HydrophobicContact CD2-CG2 3.13Å; L155-V165 HydrophobicContact CG-CG2 4.32Å; L161-V165 WeakPolarHBondContact O-CB 3.39Å; L161-V165 VanDerWaalsContact O-CG2 3.26Å; L161-V165 WeakPolarHBondContact O-CG2 3.32Å; L161-V165 PolarHBondContact O-N 2.91Å; K163-V165 PolarHBondContact O-N 3.36Å; V165-H167 VanDerWaalsContact C-N 3.25Å; V165-H167 PolarHBondContact O-N 2.81Å; V165-L168 PolarHBondContact O-N 2.88Å; V165-L169 HydrophobicContact CG1-CD1 3.95Å; V165-L169 HydrophobicContact CG1-CG 4.07Å; V165-L169 VanDerWaalsContact O-CB 3.26Å; V165-L169 WeakPolarHBondContact O-CB 3.4Å; V165-L169 VanDerWaalsContact O-CG 3.26Å; V165-L169 WeakPolarHBondContact O-CG 3.47Å; V165-L169 PolarHBondContact O-N 2.95Å
166S76.3Confident73Confident0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-64.5-34.6173.9-60.50000111.2A162 K163 S170 C227 R230A162-S166 WeakPolarHBondContact O-CB 3.04Å; A162-S166 PolarHBondContact O-N 3.33Å; A162-S166 PolarHBondContact O-OG 3.14Å; K163-S166 PolarHBondContact O-N 3.42Å; S166-S170 WeakPolarHBondContact O-CB 3.3Å; S166-S170 PolarHBondContact O-N 2.99Å; S166-C227 WeakPolarHBondContact CB-O 3.25Å; S166-R230 PolarHBondContact OG-NH1 2.78Å; S166-R230 VanDerWaalsContact OG-NH1 3.07Å
167H75.3Confident72.8Confident97 Ų9752.4 Ų52.445%0.44927%0.267SS..Hα-helixtrans-67.6-45.5173.5-173.165.5000112K163 G164 V165 S170 S171 M231K163-H167 WeakPolarHBondContact O-CB 3.48Å; K163-H167 PolarHBondContact O-N 3.47Å; G164-H167 WeakPolarHBondContact O-CB 3.31Å; G164-H167 PolarHBondContact O-N 3.49Å; V165-H167 VanDerWaalsContact C-N 3.25Å; V165-H167 PolarHBondContact O-N 2.81Å; H167-S170 PolarHBondContact O-N 3.39Å; H167-S171 WeakPolarHBondContact O-CB 3.46Å; H167-S171 PolarHBondContact O-N 2.8Å; H167-S171 PolarHBondContact O-OG 3.02Å; H167-M231 HydrophobicContact CB-CE 3.82Å; H167-M231 HydrophobicContact CB-SD 4.31Å
168L73.3Confident72.4Confident20 Ų2049.6 Ų49.611%0.10525%0.252CS..Hα-helixtrans-62.2-49.6175.5179.864.5000111.6F137 A140 V141 G164 V165 S170 S171 Q172F137-L168 HydrophobicContact CD2-CD2 3.43Å; F137-L168 VanDerWaalsContact CD2-CD2 3.43Å; F137-L168 HydrophobicContact CD2-CG 4.33Å; F137-L168 HydrophobicContact CE2-CD2 3.71Å; F137-L168 HydrophobicContact CE2-CG 4.49Å; F137-L168 HydrophobicContact CG-CD2 4.03Å; A140-L168 HydrophobicContact CB-CD1 3.6Å; A140-L168 HydrophobicContact CB-CD2 3.54Å; A140-L168 HydrophobicContact CB-CG 4.14Å; V141-L168 HydrophobicContact CG1-CD2 3.57Å; G164-L168 PolarHBondContact O-N 3Å; V165-L168 PolarHBondContact O-N 2.88Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 3.23Å; L168-S171 WeakPolarHBondContact CA-OG 3.49Å; L168-S171 PolarHBondContact O-N 3.42Å; L168-S171 PolarHBondContact O-OG 3.11Å; L168-Q172 HydrophobicContact CD1-CG 3.8Å; L168-Q172 HydrophobicContact CG-CG 4.49Å; L168-Q172 VanDerWaalsContact O-CB 3.23Å; L168-Q172 WeakPolarHBondContact O-CB 3.43Å; L168-Q172 VanDerWaalsContact O-CG 3.3Å; L168-Q172 WeakPolarHBondContact O-CG 3.29Å; L168-Q172 PolarHBondContact O-N 3.08Å
169L74.8Confident72Confident3 Ų349.5 Ų49.52%0.01625%0.254CS..Hα-helixtrans-60.3-44.1176.1-74.2177.8000110.8F121 L122 F137 V165 Q172 L173 I176F121-L169 HydrophobicContact CE1-CD2 4.48Å; L122-L169 HydrophobicContact CD1-CD1 4.23Å; L122-L169 HydrophobicContact CD2-CD1 3.9Å; L122-L169 HydrophobicContact CD2-CD2 3.77Å; L122-L169 HydrophobicContact CD2-CG 4.32Å; L122-L169 HydrophobicContact CG-CD1 4.15Å; F137-L169 HydrophobicContact CE2-CD2 4Å; F137-L169 HydrophobicContact CE2-CG 4.43Å; V165-L169 HydrophobicContact CG1-CD1 3.95Å; V165-L169 HydrophobicContact CG1-CG 4.07Å; V165-L169 VanDerWaalsContact O-CB 3.26Å; V165-L169 WeakPolarHBondContact O-CB 3.4Å; V165-L169 VanDerWaalsContact O-CG 3.26Å; V165-L169 WeakPolarHBondContact O-CG 3.47Å; V165-L169 PolarHBondContact O-N 2.95Å; L169-Q172 CarbonylContact O-C 3.55Å; L169-Q172 PolarHBondContact O-N 2.78Å; L169-L173 WeakPolarHBondContact O-CA 3.49Å; L169-L173 WeakPolarHBondContact O-CB 3.35Å; L169-L173 PolarHBondContact O-N 2.92Å; L169-I176 HydrophobicContact CD2-CD1 3.66Å
170S74.6Confident71.3Confident19 Ų1944.9 Ų44.913%0.13323%0.234CC..Hα-helixtrans-58.8-50.6176.8162.30000112.1S166 H167 L168 Q172 Q224S166-S170 WeakPolarHBondContact O-CB 3.3Å; S166-S170 PolarHBondContact O-N 2.99Å; H167-S170 PolarHBondContact O-N 3.39Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 3.23Å; S170-Q172 VanDerWaalsContact C-N 3.35Å; S170-Q224 VanDerWaalsContact CA-OE1 3.3Å; S170-Q224 PolarHBondContact OG-NE2 3.08Å; S170-Q224 PolarHBondContact OG-OE1 2.81Å
171S75.8Confident70.2Confident65 Ų6540.3 Ų40.346%0.45522%0.215SC..Hα-helixtrans-66.8-37.6-179.155.40000112.1H167 L168H167-S171 WeakPolarHBondContact O-CB 3.46Å; H167-S171 PolarHBondContact O-N 2.8Å; H167-S171 PolarHBondContact O-OG 3.02Å; L168-S171 WeakPolarHBondContact CA-OG 3.49Å; L168-S171 PolarHBondContact O-N 3.42Å; L168-S171 PolarHBondContact O-OG 3.11Å
172Q75.4Confident69.1Low47 Ų4741.6 Ų41.622%0.2223%0.233CC..Hα-helixtrans-96.30.4-176.7-57.1-59.8-14.700113.7L168 L169 S170 T174 R175 I176L168-Q172 HydrophobicContact CD1-CG 3.8Å; L168-Q172 HydrophobicContact CG-CG 4.49Å; L168-Q172 VanDerWaalsContact O-CB 3.23Å; L168-Q172 WeakPolarHBondContact O-CB 3.43Å; L168-Q172 VanDerWaalsContact O-CG 3.3Å; L168-Q172 WeakPolarHBondContact O-CG 3.29Å; L168-Q172 PolarHBondContact O-N 3.08Å; L169-Q172 CarbonylContact O-C 3.55Å; L169-Q172 PolarHBondContact O-N 2.78Å; S170-Q172 VanDerWaalsContact C-N 3.35Å; Q172-T174 PolarHBondContact O-N 3.11Å; Q172-T174 VanDerWaalsContact O-N 3.14Å; Q172-R175 CarbonylContact O-C 3.53Å; Q172-R175 WeakPolarHBondContact O-CA 3.39Å; Q172-R175 WeakPolarHBondContact O-CB 3.47Å; Q172-R175 PolarHBondContact O-N 3.22Å; Q172-R175 VanDerWaalsContact OE1-NH2 3.13Å; Q172-I176 HydrophobicContact CB-CD1 3.91Å; Q172-I176 HydrophobicContact CB-CG1 4.15Å; Q172-I176 WeakPolarHBondContact O-CB 3.42Å; Q172-I176 WeakPolarHBondContact O-CG1 3.27Å; Q172-I176 PolarHBondContact O-N 2.96Å
173L75.5Confident67.6Low3 Ų348.3 Ų48.32%0.01627%0.265CS..Hα-helixtrans-56.1-43.6-169.8-167.757.6000111F121 L169 R175 I176 L177 P220 L223 Q224F121-L173 HydrophobicContact CE1-CD1 3.94Å; F121-L173 HydrophobicContact CZ-CD1 3.86Å; L169-L173 WeakPolarHBondContact O-CA 3.49Å; L169-L173 WeakPolarHBondContact O-CB 3.35Å; L169-L173 PolarHBondContact O-N 2.92Å; L173-R175 PolarHBondContact O-N 3.24Å; L173-I176 PolarHBondContact O-N 3.19Å; L173-L177 HydrophobicContact CD1-CD1 4.16Å; L173-L177 HydrophobicContact CD1-CG 4.31Å; L173-L177 HydrophobicContact CD2-CD1 4.49Å; L173-L177 HydrophobicContact CG-CD1 3.76Å; L173-L177 HydrophobicContact CG-CG 4.36Å; L173-L177 WeakPolarHBondContact O-CB 3.46Å; L173-L177 WeakPolarHBondContact O-CD1 3.02Å; L173-L177 WeakPolarHBondContact O-CG 3.24Å; L173-L177 PolarHBondContact O-N 3.06Å; L173-P220 HydrophobicContact CD2-CB 4.33Å; L173-P220 VanDerWaalsContact CD2-O 3.28Å; L173-P220 WeakPolarHBondContact CD2-O 3.33Å; L173-L223 HydrophobicContact CD1-CB 4.17Å; L173-L223 HydrophobicContact CD1-CD1 4.13Å; L173-L223 HydrophobicContact CD2-CB 4.12Å; L173-Q224 HydrophobicContact CD2-CB 4.02Å
174T68.8Low65.8Low57 Ų5746.7 Ų46.735%0.3526%0.263SS..Hα-helixtrans-64.4-40.3178-64.20000111.9Q172 R178Q172-T174 PolarHBondContact O-N 3.11Å; Q172-T174 VanDerWaalsContact O-N 3.14Å; T174-R178 VanDerWaalsContact CG2-NE 3.33Å; T174-R178 WeakPolarHBondContact O-CB 3.37Å; T174-R178 WeakPolarHBondContact O-CG 3.39Å; T174-R178 PolarHBondContact O-N 2.94Å
175R71.3Confident64.3Low90 Ų9049.5 Ų49.534%0.3427%0.274SS..Hα-helixtrans-67.1-51177.1-174.7173.668.4177.50.1110.1E136 Q172 L173 L177 R178 T179E136-R175 IonicContact OE1-CZ 3.11Å; E136-R175 VanDerWaalsContact OE1-CZ 3.3Å; E136-R175 IonicContact OE1-NH1 3.24Å; E136-R175 PolarHBondContact OE1-NH1 3.32Å; E136-R175 IonicContact OE1-NH2 3.82Å; E136-R175 PolarHBondContact OE1-NH2 3.3Å; E136-R175 IonicContact OE2-CZ 2.77Å; E136-R175 IonicContact OE2-NH1 2.68Å; E136-R175 PolarHBondContact OE2-NH1 3.41Å; E136-R175 IonicContact OE2-NH2 3.46Å; E136-R175 PolarHBondContact OE2-NH2 2.87Å; E136-R175 VanDerWaalsContact OE2-NH2 3.16Å; Q172-R175 CarbonylContact O-C 3.53Å; Q172-R175 WeakPolarHBondContact O-CA 3.39Å; Q172-R175 WeakPolarHBondContact O-CB 3.47Å; Q172-R175 PolarHBondContact O-N 3.22Å; Q172-R175 VanDerWaalsContact OE1-NH2 3.13Å; L173-R175 PolarHBondContact O-N 3.24Å; R175-L177 VanDerWaalsContact C-N 3.33Å; R175-L177 PolarHBondContact O-N 3.44Å; R175-R178 PolarHBondContact O-N 3.27Å; R175-R178 VanDerWaalsContact O-N 3.08Å; R175-T179 WeakPolarHBondContact O-CB 3.45Å; R175-T179 PolarHBondContact O-N 2.82Å; R175-T179 PolarHBondContact O-OG1 3.41Å; R175-T179 VanDerWaalsContact O-OG1 3.05Å
176I69.3Low63.2Low8 Ų850.8 Ų50.84%0.04128%0.28CS..Hα-helixtrans-53.8-51176.9-70.3170.1000110.6F121 T125 M129 L169 Q172 L173 R178 H180F121-I176 HydrophobicContact CE1-CG2 4Å; F121-I176 HydrophobicContact CZ-CG2 3.54Å; T125-I176 HydrophobicContact CG2-CG2 3.38Å; M129-I176 HydrophobicContact CE-CD1 4.49Å; M129-I176 HydrophobicContact CE-CG1 4.14Å; L169-I176 HydrophobicContact CD2-CD1 3.66Å; Q172-I176 HydrophobicContact CB-CD1 3.91Å; Q172-I176 HydrophobicContact CB-CG1 4.15Å; Q172-I176 WeakPolarHBondContact O-CB 3.42Å; Q172-I176 WeakPolarHBondContact O-CG1 3.27Å; Q172-I176 PolarHBondContact O-N 2.96Å; L173-I176 PolarHBondContact O-N 3.19Å; I176-R178 PolarHBondContact O-N 3.06Å; I176-H180 WeakPolarHBondContact O-CB 3.42Å; I176-H180 PolarHBondContact O-CD2 3.4Å; I176-H180 VanDerWaalsContact O-CD2 3.28Å; I176-H180 PolarHBondContact O-N 2.84Å
177L68.6Low61.1Low34 Ų3452.5 Ų52.518%0.17830%0.298CS..Hα-helixtrans-65.3-37.6178.4-70.8166.5000111.7F121 L173 R175 A181 P220F121-L177 HydrophobicContact CE2-CD2 3.72Å; F121-L177 HydrophobicContact CZ-CD2 4.05Å; F121-L177 HydrophobicContact CZ-CG 4.37Å; L173-L177 HydrophobicContact CD1-CD1 4.16Å; L173-L177 HydrophobicContact CD1-CG 4.31Å; L173-L177 HydrophobicContact CD2-CD1 4.49Å; L173-L177 HydrophobicContact CG-CD1 3.76Å; L173-L177 HydrophobicContact CG-CG 4.36Å; L173-L177 WeakPolarHBondContact O-CB 3.46Å; L173-L177 WeakPolarHBondContact O-CD1 3.02Å; L173-L177 WeakPolarHBondContact O-CG 3.24Å; L173-L177 PolarHBondContact O-N 3.06Å; R175-L177 VanDerWaalsContact C-N 3.33Å; R175-L177 PolarHBondContact O-N 3.44Å; L177-A181 VanDerWaalsContact O-CA 3.24Å; L177-A181 WeakPolarHBondContact O-CA 3.23Å; L177-A181 WeakPolarHBondContact O-CB 3.49Å; L177-A181 PolarHBondContact O-N 3.5Å; L177-P220 HydrophobicContact CD1-CB 3.5Å; L177-P220 HydrophobicContact CD1-CG 3.4Å; L177-P220 VanDerWaalsContact CD1-CG 3.4Å
178R67.2Low59.2Low119 Ų11957.3 Ų57.345%0.44932%0.32SS..Hα-helixtrans-70.4-50.7178-76.1174.9-166.1170.45.1112.3E33 T174 R175 I176 A182E33-R178 VanDerWaalsContact CA-NH2 3.32Å; E33-R178 PolarHBondContact O-NH2 3.42Å; E33-R178 VanDerWaalsContact O-NH2 3.12Å; T174-R178 VanDerWaalsContact CG2-NE 3.33Å; T174-R178 WeakPolarHBondContact O-CB 3.37Å; T174-R178 WeakPolarHBondContact O-CG 3.39Å; T174-R178 PolarHBondContact O-N 2.94Å; R175-R178 PolarHBondContact O-N 3.27Å; R175-R178 VanDerWaalsContact O-N 3.08Å; I176-R178 PolarHBondContact O-N 3.06Å; R178-A182 PolarHBondContact O-N 2.85Å
179T65.5Low57.2Low65 Ų6559.7 Ų59.740%0.39935%0.349SS..Hα-helixtrans-64.6-41.7-176.2-54.20000110.8R175R175-T179 WeakPolarHBondContact O-CB 3.45Å; R175-T179 PolarHBondContact O-N 2.82Å; R175-T179 PolarHBondContact O-OG1 3.41Å; R175-T179 VanDerWaalsContact O-OG1 3.05Å
180H58.2Low55.2Low18 Ų1865.7 Ų65.78%0.08338%0.381CS..Hα-helixtrans-100.2-23.9-175.6-54.8-63.7000114.4N128 M129 I176 A182 M183 S184N128-H180 PolarHBondContact O-CE1 2.67Å; N128-H180 VanDerWaalsContact O-CE1 3.24Å; N128-H180 PolarHBondContact O-ND1 3.08Å; M129-H180 VanDerWaalsContact CG-CE1 3.41Å; M129-H180 WeakPolarHBondContact CG-CE1 3.22Å; M129-H180 VanDerWaalsContact CG-NE2 3.27Å; M129-H180 WeakPolarHBondContact CG-NE2 3.24Å; I176-H180 WeakPolarHBondContact O-CB 3.42Å; I176-H180 PolarHBondContact O-CD2 3.4Å; I176-H180 VanDerWaalsContact O-CD2 3.28Å; I176-H180 PolarHBondContact O-N 2.84Å; H180-A182 PolarHBondContact O-N 2.92Å; H180-M183 PolarHBondContact O-N 3.17Å; H180-S184 PolarHBondContact O-N 2.97Å
181A48.6Very low53.1Low36 Ų3672.9 Ų72.930%0.29842%0.417SS..Hα-helixtrans-74.9-14170.800000113.3L177 M183 V185L177-A181 VanDerWaalsContact O-CA 3.24Å; L177-A181 WeakPolarHBondContact O-CA 3.23Å; L177-A181 WeakPolarHBondContact O-CB 3.49Å; L177-A181 PolarHBondContact O-N 3.5Å; A181-M183 PolarHBondContact O-N 3.01Å; A181-V185 HydrophobicContact CB-CG2 3.78Å
182A43.7Very low51.4Low77 Ų7780.8 Ų80.864%0.63644%0.437SS*.THydrogen-bonded Turntrans-59.1-24.4167.500000112.1R178 H180R178-A182 PolarHBondContact O-N 2.85Å; H180-A182 PolarHBondContact O-N 2.92Å
183M38.5Very low49.2Very low148 Ų14881.6 Ų81.673%0.72946%0.458SS*.THydrogen-bonded Turntrans-113.6-25.4176.4-70.5-62.8-73.800114.5H180 A181H180-M183 PolarHBondContact O-N 3.17Å; A181-M183 PolarHBondContact O-N 3.01Å
184S37.9Very low47.3Very low42 Ų4287 Ų8729%0.29450%0.503SS..  trans-160.9119.2170.273.70000113.3H180 L186H180-S184 PolarHBondContact O-N 2.97Å; S184-L186 PolarHBondContact O-N 3.34Å
185V42Very low45.3Very low92 Ų9287.2 Ų87.256%0.55852%0.516SS*.SBendtrans-82.183147.9-177.60000105.7A181 G187 I219A181-V185 HydrophobicContact CB-CG2 3.78Å; V185-G187 PolarHBondContact O-N 3.47Å; V185-I219 HydrophobicContact CG1-CD1 3.95Å
186L46.3Very low43.5Very low27 Ų2791.8 Ų91.814%0.14155%0.547CS..SBendtrans51.555.7158.9-64.9165.3000115.8L100 N124 S184L100-L186 HydrophobicContact CB-CD1 4.31Å; L100-L186 HydrophobicContact CD1-CD1 3.53Å; L100-L186 HydrophobicContact CD2-CB 3.62Å; L100-L186 HydrophobicContact CD2-CD1 3.23Å; L100-L186 HydrophobicContact CD2-CG 4Å; L100-L186 HydrophobicContact CG-CD1 3.8Å; N124-L186 HydrophobicContact CB-CD2 3.7Å; N124-L186 WeakPolarHBondContact ND2-CD2 3.34Å; S184-L186 PolarHBondContact O-N 3.34Å
187G32Very low41.7Very low36 Ų3695.4 Ų95.437%0.37159%0.586SS.*SBendtrans100.796.7153.400000117.1V185V185-G187 PolarHBondContact O-N 3.47Å
188H35.3Very low39.5Very low197 Ų19796.1 Ų96.191%0.91260%0.602SS**SBendtrans66.679.1165.7-66.575000117.4
189G32.7Very low38.1Very low70 Ų7096.8 Ų96.872%0.72262%0.622SS**SBendtrans-156.5-22.6169.900000118.5
190L31.8Very low36.7Very low130 Ų13099.9 Ų99.968%0.68164%0.64SS**  trans-144.670.8-177.8-70.6168.7000109.8R192L190-R192 PolarHBondContact O-N 3.31Å
191L30.8Very low35.4Very low170 Ų170102.8 Ų102.889%0.8968%0.675SS**  trans-61.984144.2-76.5170.5000105.8G193L191-G193 PolarHBondContact O-N 2.84Å
192R39.6Very low34.7Very low230 Ų230105.1 Ų105.187%0.86869%0.694SS**  trans-7184162.9-151.6-178.2-167.3-171.31.2104.1L190 A194L190-R192 PolarHBondContact O-N 3.31Å; R192-A194 PolarHBondContact O-N 3.15Å
193G30.4Very low34Very low65 Ų65105 Ų10567%0.6769%0.693SS**  trans-52.5107.2172.300000107.6L191 G195L191-G193 PolarHBondContact O-N 2.84Å; G193-G195 PolarHBondContact O-N 3.4Å
194A34.7Very low33.6Very low116 Ų116104.8 Ų104.896%0.95969%0.694SS**  trans-71.148158.800000109.5R192R192-A194 PolarHBondContact O-N 3.15Å
195G27.3Very low33.3Very low61 Ų61110.9 Ų110.963%0.62972%0.723SS**  trans-127.181.4-178.900000108.8G193 G197G193-G195 PolarHBondContact O-N 3.4Å; G195-G197 PolarHBondContact O-N 3.12Å
196L33.4Very low32.6Very low187 Ų187109.8 Ų109.898%0.97973%0.731SS**  trans-55.7113.8159-75.3161.2000108
197G30.3Very low31.6Very low84 Ų84113.8 Ų113.887%0.86676%0.756SS**  trans132.347.1160.800000118.7G195G195-G197 PolarHBondContact O-N 3.12Å
198G24Very low31.5Very low49 Ų49120 Ų12051%0.50577%0.773SS.*  trans-149.1141.8171.900000115.5V200 G201G198-V200 PolarHBondContact O-N 2.76Å; G198-G201 PolarHBondContact O-N 3.25Å
199P36.6Very low31.4Very low133 Ų133114.7 Ų114.786%0.86476%0.763SS**G310 helixtrans-67.94.2-176.2-15.130.1000115.6G201P199-G201 PolarHBondContact O-N 3.2Å
200V37Very low31.4Very low129 Ų129115.2 Ų115.278%0.78275%0.752SS**G310 helixtrans-85.54.8176.1-1690000111.6G198 A202G198-V200 PolarHBondContact O-N 2.76Å; V200-A202 PolarHBondContact O-N 3.33Å; V200-A202 VanDerWaalsContact O-N 3.15Å
201G29.9Very low32Very low79 Ų79111.1 Ų111.181%0.81473%0.734SS**G310 helixtrans-68.81.2173.100000116G198 P199G198-G201 PolarHBondContact O-N 3.25Å; P199-G201 PolarHBondContact O-N 3.2Å
202A34.4Very low32.9Very low85 Ų85104 Ų10470%0.70270%0.702SS**G310 helixtrans-106.2-3.4-177.100000115.1V200V200-A202 PolarHBondContact O-N 3.33Å; V200-A202 VanDerWaalsContact O-N 3.15Å
203A30.1Very low33.5Very low76 Ų7697.7 Ų97.763%0.62869%0.693SS**  trans-108.195.5177.700000110.4
204L28.4Very low34.8Very low142 Ų14295.7 Ų95.774%0.74367%0.67SS**  trans178.358.1138.9-87.7-176.4000108.7G206L204-G206 PolarHBondContact O-N 2.95Å; L204-G206 VanDerWaalsContact O-N 3.12Å
205N32.5Very low36.3Very low170 Ų17093.3 Ų93.391%0.90964%0.637SS**THydrogen-bonded Turntrans-61.1107.4154.1-74.1-36.3000107.4
206G26.7Very low38.4Very low69 Ų6997.6 Ų97.671%0.71163%0.634SS**THydrogen-bonded Turntrans133.9-17.7162.900000117.4L204 K208L204-G206 PolarHBondContact O-N 2.95Å; L204-G206 VanDerWaalsContact O-N 3.12Å; G206-K208 PolarHBondContact O-N 3.1Å
207V26.1Very low40.5Very low111 Ų11188.7 Ų88.767%0.67359%0.587SS**  trans-78.180.7158.4-169.50000105.1A209V207-A209 PolarHBondContact O-N 3.5Å
208K28.9Very low43.1Very low168 Ų16885 Ų8573%0.7355%0.548SS*.  trans-40.6125.6155.7-77.5-176.2-174.5-173.90104.3G206 V210G206-K208 PolarHBondContact O-N 3.1Å; K208-V210 HydrophobicContact CB-CG2 3.38Å; K208-V210 HydrophobicContact CD-CG2 4.19Å; K208-V210 HydrophobicContact CG-CG2 4.43Å; K208-V210 PolarHBondContact O-N 3.48Å
209A34.1Very low46Very low84 Ų8483.1 Ų83.169%0.69453%0.526SS*.  trans-66.251.5171.500000110.2V207 S211V207-A209 PolarHBondContact O-N 3.5Å; A209-S211 PolarHBondContact O-N 2.99Å
210V32.1Very low48.4Very low82 Ų8277.3 Ų77.350%0.49749%0.488SS..  trans-69.743158.5-156.10000108.3R99 K208 G212R99-V210 PolarHBondContact NH1-O 2.96Å; R99-V210 PolarHBondContact NH2-O 2.8Å; K208-V210 HydrophobicContact CB-CG2 3.38Å; K208-V210 HydrophobicContact CD-CG2 4.19Å; K208-V210 HydrophobicContact CG-CG2 4.43Å; K208-V210 PolarHBondContact O-N 3.48Å; V210-G212 PolarHBondContact O-N 3.41Å
211S46Very low50.9Low44 Ų4471.1 Ų71.131%0.30845%0.451SS..SBendtrans-72.466130.165.30000105.7A209 S213A209-S211 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact O-N 3.28Å
212G48.3Very low53.8Low20 Ų2067.4 Ų67.421%0.20641%0.412CS..  trans-51.3137.4-168.500000109.4V210 A214 Y215V210-G212 PolarHBondContact O-N 3.41Å; G212-A214 CarbonylContact O-C 3.43Å; G212-A214 PolarHBondContact O-N 2.73Å; G212-Y215 PolarHBondContact O-N 2.86Å
213S53Low56.5Low97 Ų9763.3 Ų63.368%0.67838%0.379SS*.THydrogen-bonded Turntrans-42.1-29.4176.849.30000113.6S211S211-S213 PolarHBondContact O-N 3.28Å
214A57.3Low59.4Low23 Ų2360 Ų6019%0.1935%0.35CS..THydrogen-bonded Turntrans-55-53.3171.100000113.5G212 R216 V217 T218G212-A214 CarbonylContact O-C 3.43Å; G212-A214 PolarHBondContact O-N 2.73Å; A214-R216 VanDerWaalsContact C-N 3.26Å; A214-R216 PolarHBondContact O-N 3.04Å; A214-V217 CarbonylContact O-C 3.43Å; A214-V217 WeakPolarHBondContact O-CA 3.47Å; A214-V217 WeakPolarHBondContact O-CB 3.46Å; A214-V217 PolarHBondContact O-N 3.47Å; A214-T218 PolarHBondContact O-N 3.14Å; A214-T218 PolarHBondContact O-OG1 3.21Å
215Y66.5Low62.6Low66 Ų6653.2 Ų53.226%0.25932%0.315SS..Hα-helixtrans-66.2-24.3-175.8-73.4-73000114.1R99 G212 V217 I219R99-Y215 HydrophobicContact CB-CE1 3.98Å; R99-Y215 HydrophobicContact CG-CD1 4.24Å; R99-Y215 HydrophobicContact CG-CE1 4.01Å; G212-Y215 PolarHBondContact O-N 2.86Å; Y215-V217 PolarHBondContact O-N 3.21Å; Y215-I219 HydrophobicContact CD1-CD1 4.28Å; Y215-I219 HydrophobicContact CD1-CG1 4.17Å; Y215-I219 WeakPolarHBondContact O-CB 3.31Å; Y215-I219 PolarHBondContact O-N 3.35Å
216R70.8Confident65.5Low151 Ų15145.1 Ų45.157%0.5727%0.272SS*.Hα-helixtrans-66.2-15.4170.8-64-176.1179.3-128.60.7112.7A214 P220A214-R216 VanDerWaalsContact C-N 3.26Å; A214-R216 PolarHBondContact O-N 3.04Å; R216-P220 WeakPolarHBondContact O-CG 3.41Å
217V78.4Confident68.5Low1 Ų141.9 Ų41.91%0.00624%0.238CC..Hα-helixtrans-107.5-46.1174.5-175.50000110L29 R38 F73 A214 Y215 P220 A221L29-V217 HydrophobicContact CD2-CG1 3.87Å; R38-V217 VanDerWaalsContact CZ-CG2 3.41Å; F73-V217 HydrophobicContact CD1-CB 4.09Å; F73-V217 HydrophobicContact CD1-CG1 4.11Å; F73-V217 HydrophobicContact CD1-CG2 4.34Å; F73-V217 HydrophobicContact CD2-CG1 3.99Å; F73-V217 HydrophobicContact CE1-CB 4.22Å; F73-V217 HydrophobicContact CE1-CG1 4.18Å; F73-V217 HydrophobicContact CE1-CG2 4Å; F73-V217 HydrophobicContact CE2-CG1 4.08Å; F73-V217 HydrophobicContact CG-CB 4.4Å; F73-V217 HydrophobicContact CG-CG1 4.02Å; F73-V217 HydrophobicContact CZ-CG1 4.16Å; F73-V217 HydrophobicContact CZ-CG2 4.41Å; A214-V217 CarbonylContact O-C 3.43Å; A214-V217 WeakPolarHBondContact O-CA 3.47Å; A214-V217 WeakPolarHBondContact O-CB 3.46Å; A214-V217 PolarHBondContact O-N 3.47Å; Y215-V217 PolarHBondContact O-N 3.21Å; V217-P220 WeakPolarHBondContact O-CD 3.43Å; V217-A221 WeakPolarHBondContact O-CB 3.31Å; V217-A221 PolarHBondContact O-N 3.19Å
218T84.5Confident71.7Confident6 Ų636.6 Ų36.64%0.03721%0.206CC..Hα-helixtrans-66.7-43.6-175.1-450000113.1I92 V96 A214 A221 V222I92-T218 HydrophobicContact CG2-CG2 3.24Å; V96-T218 HydrophobicContact CG2-CG2 3.66Å; A214-T218 PolarHBondContact O-N 3.14Å; A214-T218 PolarHBondContact O-OG1 3.21Å; T218-A221 PolarHBondContact O-N 2.99Å; T218-V222 HydrophobicContact CG2-CG2 4.23Å; T218-V222 WeakPolarHBondContact O-CB 3.36Å; T218-V222 VanDerWaalsContact O-CG2 3.26Å; T218-V222 WeakPolarHBondContact O-CG2 3.49Å; T218-V222 PolarHBondContact O-N 2.93Å
219I85Confident74.8Confident10 Ų1029.8 Ų29.85%0.05118%0.176CC..Hα-helixtrans-62.6-52.3178.5-65.8165.3000110.4V96 L100 V185 Y215 A221 V222 L223V96-I219 HydrophobicContact CG1-CG1 4.12Å; V96-I219 HydrophobicContact CG2-CG1 4.32Å; L100-I219 HydrophobicContact CD1-CG2 4.46Å; L100-I219 HydrophobicContact CD2-CD1 3.95Å; V185-I219 HydrophobicContact CG1-CD1 3.95Å; Y215-I219 HydrophobicContact CD1-CD1 4.28Å; Y215-I219 HydrophobicContact CD1-CG1 4.17Å; Y215-I219 WeakPolarHBondContact O-CB 3.31Å; Y215-I219 PolarHBondContact O-N 3.35Å; I219-A221 VanDerWaalsContact C-N 3.28Å; I219-A221 PolarHBondContact O-N 3.34Å; I219-V222 PolarHBondContact O-N 3.14Å; I219-L223 HydrophobicContact CG2-CD1 4.02Å; I219-L223 WeakPolarHBondContact O-CG 3.47Å; I219-L223 PolarHBondContact O-N 3.4Å; I219-L223 VanDerWaalsContact O-N 3.07Å
220P86.1Confident77.4Confident10 Ų1026.5 Ų26.57%0.06515%0.145CC..Hα-helixtrans-59.6-40.3175.5-24.135.2000112.4L28 L173 L177 R216 V217 L223 Q224L28-P220 HydrophobicContact CD1-CB 3.9Å; L28-P220 HydrophobicContact CD2-CB 4.06Å; L28-P220 HydrophobicContact CG-CB 4.34Å; L173-P220 HydrophobicContact CD2-CB 4.33Å; L173-P220 VanDerWaalsContact CD2-O 3.28Å; L173-P220 WeakPolarHBondContact CD2-O 3.33Å; L177-P220 HydrophobicContact CD1-CB 3.5Å; L177-P220 HydrophobicContact CD1-CG 3.4Å; L177-P220 VanDerWaalsContact CD1-CG 3.4Å; R216-P220 WeakPolarHBondContact O-CG 3.41Å; V217-P220 WeakPolarHBondContact O-CD 3.43Å; P220-L223 PolarHBondContact O-N 2.94Å; P220-Q224 VanDerWaalsContact O-CB 3.27Å; P220-Q224 WeakPolarHBondContact O-CB 3.4Å; P220-Q224 PolarHBondContact O-N 3.48Å
221A90.1Very high80.1Confident0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-65.1-41.2-178.900000112.6F25 L28 L29 L70 V217 T218 I219 Q224 I225F25-A221 HydrophobicContact CE2-CB 3.84Å; F25-A221 HydrophobicContact CZ-CB 4.39Å; L28-A221 HydrophobicContact CD2-CB 4.42Å; L29-A221 HydrophobicContact CD2-CB 3.68Å; L70-A221 HydrophobicContact CD1-CB 3.72Å; V217-A221 WeakPolarHBondContact O-CB 3.31Å; V217-A221 PolarHBondContact O-N 3.19Å; T218-A221 PolarHBondContact O-N 2.99Å; I219-A221 VanDerWaalsContact C-N 3.28Å; I219-A221 PolarHBondContact O-N 3.34Å; A221-Q224 WeakPolarHBondContact O-CB 3.18Å; A221-Q224 PolarHBondContact O-N 3.01Å; A221-I225 WeakPolarHBondContact O-CG1 3.37Å; A221-I225 PolarHBondContact O-N 3.45Å
222V91.6Very high82.2Confident0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-67.1-42.3176.6172.70000111.1Y89 I92 L93 V96 L117 T218 I219 Q224 I225 A226Y89-V222 HydrophobicContact CE2-CG1 4.44Å; Y89-V222 HydrophobicContact CE2-CG2 4.11Å; I92-V222 HydrophobicContact CG2-CG2 3.9Å; L93-V222 HydrophobicContact CD1-CG1 3.38Å; V96-V222 HydrophobicContact CG1-CG1 4.48Å; V96-V222 HydrophobicContact CG2-CG2 3.97Å; L117-V222 HydrophobicContact CD2-CB 4.42Å; L117-V222 HydrophobicContact CD2-CG1 3.4Å; T218-V222 HydrophobicContact CG2-CG2 4.23Å; T218-V222 WeakPolarHBondContact O-CB 3.36Å; T218-V222 VanDerWaalsContact O-CG2 3.26Å; T218-V222 WeakPolarHBondContact O-CG2 3.49Å; T218-V222 PolarHBondContact O-N 2.93Å; I219-V222 PolarHBondContact O-N 3.14Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 2.98Å; V222-I225 PolarHBondContact O-N 3.16Å; V222-A226 WeakPolarHBondContact O-CB 3.49Å; V222-A226 PolarHBondContact O-N 3.47Å
223L90.6Very high84Confident0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-60.2-40.2173.5-70.4168.4000111.7L117 L118 F121 L173 I219 P220 A226 C227L117-L223 HydrophobicContact CD1-CD2 4.45Å; L117-L223 HydrophobicContact CD2-CD2 4.21Å; L117-L223 HydrophobicContact CG-CD2 3.91Å; L118-L223 HydrophobicContact CD2-CD2 3.98Å; F121-L223 HydrophobicContact CB-CD2 3.77Å; F121-L223 HydrophobicContact CD1-CD1 4.17Å; F121-L223 HydrophobicContact CD1-CD2 4.07Å; F121-L223 HydrophobicContact CD2-CD1 3.54Å; F121-L223 HydrophobicContact CD2-CD2 4.23Å; F121-L223 HydrophobicContact CE1-CD1 4.18Å; F121-L223 HydrophobicContact CE2-CD1 3.56Å; F121-L223 HydrophobicContact CG-CD1 3.84Å; F121-L223 HydrophobicContact CG-CD2 3.75Å; F121-L223 HydrophobicContact CG-CG 4.48Å; F121-L223 HydrophobicContact CZ-CD1 3.87Å; L173-L223 HydrophobicContact CD1-CB 4.17Å; L173-L223 HydrophobicContact CD1-CD1 4.13Å; L173-L223 HydrophobicContact CD2-CB 4.12Å; I219-L223 HydrophobicContact CG2-CD1 4.02Å; I219-L223 WeakPolarHBondContact O-CG 3.47Å; I219-L223 PolarHBondContact O-N 3.4Å; I219-L223 VanDerWaalsContact O-N 3.07Å; P220-L223 PolarHBondContact O-N 2.94Å; L223-A226 PolarHBondContact O-N 3.22Å; L223-C227 PolarHBondContact O-N 3.5Å; L223-C227 PolarHBondContact O-SG 3.11Å
224Q91.2Very high85.4Confident6 Ų619 Ų193%0.0289%0.093CC..Hα-helixtrans-65.6-44.2176.7-173.96221.900111.8F25 L28 S170 L173 P220 A221 V222 A226 C227 L228F25-Q224 HydrophobicContact CB-CG 4.44Å; F25-Q224 HydrophobicContact CD2-CB 4.1Å; F25-Q224 HydrophobicContact CD2-CG 3.64Å; F25-Q224 HydrophobicContact CE2-CB 4.34Å; F25-Q224 HydrophobicContact CE2-CG 4.35Å; F25-Q224 HydrophobicContact CG-CG 4.38Å; L28-Q224 HydrophobicContact CD2-CB 3.88Å; L28-Q224 HydrophobicContact CD2-CG 4.21Å; S170-Q224 VanDerWaalsContact CA-OE1 3.3Å; S170-Q224 PolarHBondContact OG-NE2 3.08Å; S170-Q224 PolarHBondContact OG-OE1 2.81Å; L173-Q224 HydrophobicContact CD2-CB 4.02Å; P220-Q224 VanDerWaalsContact O-CB 3.27Å; P220-Q224 WeakPolarHBondContact O-CB 3.4Å; P220-Q224 PolarHBondContact O-N 3.48Å; A221-Q224 WeakPolarHBondContact O-CB 3.18Å; A221-Q224 PolarHBondContact O-N 3.01Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 2.98Å; Q224-A226 VanDerWaalsContact C-N 3.35Å; Q224-A226 PolarHBondContact O-N 3.28Å; Q224-C227 PolarHBondContact O-N 3.2Å; Q224-L228 HydrophobicContact CG-CD1 4.18Å; Q224-L228 HydrophobicContact CG-CG 4.42Å; Q224-L228 WeakPolarHBondContact O-CB 3.45Å; Q224-L228 VanDerWaalsContact O-CG 3.3Å; Q224-L228 WeakPolarHBondContact O-CG 3.38Å; Q224-L228 PolarHBondContact O-N 3.16Å
225I94.5Very high86.3Confident0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-59.6-46.4174.8-71.2-66.7000110.7L11 F13 L14 F25 L70 Y89 A221 V222 C227 L228 R229L11-I225 HydrophobicContact CD2-CD1 4.12Å; L11-I225 HydrophobicContact CD2-CG2 4.33Å; F13-I225 HydrophobicContact CE1-CG2 3.97Å; F13-I225 HydrophobicContact CZ-CD1 4.3Å; F13-I225 HydrophobicContact CZ-CG2 3.91Å; L14-I225 HydrophobicContact CD1-CD1 4.15Å; L14-I225 HydrophobicContact CD2-CD1 3.78Å; L14-I225 HydrophobicContact CG-CD1 4.36Å; F25-I225 HydrophobicContact CD1-CD1 4.34Å; F25-I225 HydrophobicContact CE1-CD1 3.64Å; F25-I225 HydrophobicContact CE1-CG1 4.35Å; F25-I225 HydrophobicContact CE2-CD1 4.17Å; F25-I225 HydrophobicContact CE2-CG1 4.09Å; F25-I225 HydrophobicContact CZ-CD1 3.55Å; F25-I225 HydrophobicContact CZ-CG1 3.74Å; L70-I225 HydrophobicContact CD2-CD1 4.44Å; L70-I225 HydrophobicContact CD2-CG1 4.05Å; Y89-I225 HydrophobicContact CD2-CG2 4.45Å; Y89-I225 HydrophobicContact CE1-CG2 3.97Å; Y89-I225 HydrophobicContact CE2-CB 3.94Å; Y89-I225 HydrophobicContact CE2-CG1 4.12Å; Y89-I225 HydrophobicContact CE2-CG2 3.64Å; Y89-I225 WeakPolarHBondContact OH-CG2 3.4Å; A221-I225 WeakPolarHBondContact O-CG1 3.37Å; A221-I225 PolarHBondContact O-N 3.45Å; V222-I225 PolarHBondContact O-N 3.16Å; I225-C227 VanDerWaalsContact C-N 3.3Å; I225-C227 PolarHBondContact O-N 3.19Å; I225-L228 PolarHBondContact O-N 3.1Å; I225-R229 WeakPolarHBondContact O-CB 3.38Å; I225-R229 PolarHBondContact O-N 2.94Å
226A93.2Very high86.4Confident0 Ų024.2 Ų24.20%012%0.121CC..Hα-helixtrans-58.4-41.8176.900000112E114 L118 V222 L223 Q224 R230E114-A226 HydrophobicContact CB-CB 3.75Å; E114-A226 HydrophobicContact CG-CB 3.86Å; L118-A226 HydrophobicContact CD1-CB 3.72Å; L118-A226 HydrophobicContact CD2-CB 4.05Å; L118-A226 HydrophobicContact CG-CB 3.8Å; V222-A226 WeakPolarHBondContact O-CB 3.49Å; V222-A226 PolarHBondContact O-N 3.47Å; L223-A226 PolarHBondContact O-N 3.22Å; Q224-A226 VanDerWaalsContact C-N 3.35Å; Q224-A226 PolarHBondContact O-N 3.28Å; A226-R230 VanDerWaalsContact O-CG 3.28Å; A226-R230 WeakPolarHBondContact O-CG 3.48Å; A226-R230 PolarHBondContact O-N 3.38Å
227C91Very high85.4Confident1 Ų124.6 Ų24.61%0.00714%0.14CC..Hα-helixtrans-65.1-49.2174.7-68.40000111.9S166 L223 Q224 I225 R229 R230 M231S166-C227 WeakPolarHBondContact CB-O 3.25Å; L223-C227 PolarHBondContact O-N 3.5Å; L223-C227 PolarHBondContact O-SG 3.11Å; Q224-C227 PolarHBondContact O-N 3.2Å; I225-C227 VanDerWaalsContact C-N 3.3Å; I225-C227 PolarHBondContact O-N 3.19Å; C227-R229 VanDerWaalsContact C-N 3.34Å; C227-R229 PolarHBondContact O-N 3.08Å; C227-R230 PolarHBondContact O-N 2.89Å; C227-M231 WeakPolarHBondContact O-CG 3.35Å; C227-M231 PolarHBondContact O-N 3.08Å
228L93.1Very high85.7Confident0 Ų025.8 Ų25.80%015%0.147CC..Hα-helixtrans-60.9-42-179-71.5177.1000111.9F13 L14 Q21 F25 Q224 I225 R230 M231 V232F13-L228 HydrophobicContact CE2-CB 3.86Å; F13-L228 HydrophobicContact CZ-CB 4.27Å; L14-L228 HydrophobicContact CD2-CD1 4.36Å; Q21-L228 HydrophobicContact CB-CD2 3.67Å; Q21-L228 HydrophobicContact CG-CD2 3.67Å; F25-L228 HydrophobicContact CB-CD1 4.22Å; F25-L228 HydrophobicContact CG-CD1 4.38Å; Q224-L228 HydrophobicContact CG-CD1 4.18Å; Q224-L228 HydrophobicContact CG-CG 4.42Å; Q224-L228 WeakPolarHBondContact O-CB 3.45Å; Q224-L228 VanDerWaalsContact O-CG 3.3Å; Q224-L228 WeakPolarHBondContact O-CG 3.38Å; Q224-L228 PolarHBondContact O-N 3.16Å; I225-L228 PolarHBondContact O-N 3.1Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.87Å; L228-M231 HydrophobicContact CD2-SD 4.38Å; L228-M231 PolarHBondContact O-N 2.97Å; L228-V232 WeakPolarHBondContact O-CG2 3.18Å; L228-V232 PolarHBondContact O-N 3.47Å
229R93.4Very high85.8Confident24 Ų2426.8 Ų26.89%0.09115%0.153CC..Hα-helixtrans-58.2-46.7178.1-169.5-172.2-54.8-74.7-6.6110.9D10 F13 E114 I225 C227 M231 V232 S233D10-R229 PolarHBondContact O-NH1 2.97Å; D10-R229 PolarHBondContact O-NH2 3.27Å; F13-R229 HydrophobicContact CD1-CG 4.38Å; F13-R229 HydrophobicContact CD2-CB 4.16Å; F13-R229 HydrophobicContact CD2-CG 4.32Å; F13-R229 HydrophobicContact CE1-CB 4.2Å; F13-R229 HydrophobicContact CE1-CG 4.46Å; F13-R229 VanDerWaalsContact CE1-CZ 3.5Å; F13-R229 HydrophobicContact CE2-CB 3.81Å; F13-R229 HydrophobicContact CE2-CG 4.43Å; F13-R229 HydrophobicContact CG-CG 4.29Å; F13-R229 HydrophobicContact CZ-CB 3.81Å; F13-R229 HydrophobicContact CZ-CG 4.48Å; E114-R229 VanDerWaalsContact CD-NE 3.33Å; E114-R229 IonicContact OE1-CZ 2.77Å; E114-R229 IonicContact OE1-NE 2.73Å; E114-R229 PolarHBondContact OE1-NE 3.49Å; E114-R229 VanDerWaalsContact OE1-NE 3.11Å; E114-R229 IonicContact OE1-NH2 3.88Å; E114-R229 PolarHBondContact OE1-NH2 3.39Å; E114-R229 VanDerWaalsContact OE2-CD 3.22Å; E114-R229 WeakPolarHBondContact OE2-CD 3.42Å; E114-R229 IonicContact OE2-CZ 3.42Å; E114-R229 IonicContact OE2-NE 2.88Å; E114-R229 PolarHBondContact OE2-NE 3.12Å; I225-R229 WeakPolarHBondContact O-CB 3.38Å; I225-R229 PolarHBondContact O-N 2.94Å; C227-R229 VanDerWaalsContact C-N 3.34Å; C227-R229 PolarHBondContact O-N 3.08Å; R229-M231 VanDerWaalsContact C-N 3.35Å; R229-M231 PolarHBondContact O-N 2.97Å; R229-V232 PolarHBondContact O-N 3.42Å; R229-S233 WeakPolarHBondContact O-CB 3.32Å; R229-S233 PolarHBondContact O-N 2.99Å; R229-S233 PolarHBondContact O-OG 2.79Å
230R89.6Confident85.8Confident15 Ų1527.8 Ų27.86%0.05716%0.158CC..Hα-helixtrans-62.9-40.1178.1-65.6172.778.8-142.86.4112.2F111 L155 M156 S166 A226 C227 L228 S233 A234F111-R230 HydrophobicContact CE2-CG 4.21Å; L155-R230 PolarHBondContact O-NH2 2.99Å; M156-R230 PolarHBondContact SD-NH2 2.9Å; S166-R230 PolarHBondContact OG-NH1 2.78Å; S166-R230 VanDerWaalsContact OG-NH1 3.07Å; A226-R230 VanDerWaalsContact O-CG 3.28Å; A226-R230 WeakPolarHBondContact O-CG 3.48Å; A226-R230 PolarHBondContact O-N 3.38Å; C227-R230 PolarHBondContact O-N 2.89Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.87Å; R230-S233 PolarHBondContact O-N 3.4Å; R230-A234 VanDerWaalsContact O-CB 3.24Å; R230-A234 WeakPolarHBondContact O-CB 3.44Å; R230-A234 PolarHBondContact O-N 2.82Å
231M87.8Confident85.8Confident11 Ų1128.8 Ų28.85%0.05416%0.164CC..Hα-helixtrans-63.7-42.2176.4-66.417673.900112.4K163 H167 C227 L228 R229 T235K163-M231 HydrophobicContact CG-CB 4.47Å; K163-M231 HydrophobicContact CG-CG 4.3Å; H167-M231 HydrophobicContact CB-CE 3.82Å; H167-M231 HydrophobicContact CB-SD 4.31Å; C227-M231 WeakPolarHBondContact O-CG 3.35Å; C227-M231 PolarHBondContact O-N 3.08Å; L228-M231 HydrophobicContact CD2-SD 4.38Å; L228-M231 PolarHBondContact O-N 2.97Å; R229-M231 VanDerWaalsContact C-N 3.35Å; R229-M231 PolarHBondContact O-N 2.97Å; M231-T235 PolarHBondContact O-N 3.17Å; M231-T235 PolarHBondContact O-OG1 2.66Å
232V90Very high85.5Confident8 Ų830.6 Ų30.65%0.04817%0.174CC..Hα-helixtrans-67.5-48.8176.7171.50000110.2F13 H16 L228 R229 A234 T235 Q236F13-V232 HydrophobicContact CD2-CB 4.21Å; F13-V232 HydrophobicContact CD2-CG2 4.11Å; H16-V232 HydrophobicContact CB-CG1 3.75Å; L228-V232 WeakPolarHBondContact O-CG2 3.18Å; L228-V232 PolarHBondContact O-N 3.47Å; R229-V232 PolarHBondContact O-N 3.42Å; V232-A234 PolarHBondContact O-N 3.16Å; V232-T235 PolarHBondContact O-N 3.23Å; V232-Q236 HydrophobicContact CG1-CG 4.23Å; V232-Q236 WeakPolarHBondContact O-CG 3.49Å; V232-Q236 PolarHBondContact O-N 2.88Å; V232-Q236 VanDerWaalsContact O-N 3.1Å
233S86.7Confident85.1Confident51 Ų5132.7 Ų32.736%0.35719%0.186SC..Hα-helixtrans-61.6-27.8178.1-60.90000113.6R229 R230 T235R229-S233 WeakPolarHBondContact O-CB 3.32Å; R229-S233 PolarHBondContact O-N 2.99Å; R229-S233 PolarHBondContact O-OG 2.79Å; R230-S233 PolarHBondContact O-N 3.4Å; S233-T235 VanDerWaalsContact C-N 3.34Å
234A82.9Confident84.8Confident15 Ų1535 Ų3512%0.12420%0.199CC..Hα-helixtrans-76.9-18.5174.100000113.6K159 K163 R230 V232K159-A234 HydrophobicContact CB-CB 4.03Å; K159-A234 WeakPolarHBondContact O-CB 3.24Å; K163-A234 HydrophobicContact CB-CB 3.92Å; K163-A234 HydrophobicContact CD-CB 4.22Å; R230-A234 VanDerWaalsContact O-CB 3.24Å; R230-A234 WeakPolarHBondContact O-CB 3.44Å; R230-A234 PolarHBondContact O-N 2.82Å; V232-A234 PolarHBondContact O-N 3.16Å
235T76.4Confident84.3Confident83 Ų8337.2 Ų37.251%0.50921%0.212SC..Hα-helixtrans-102.3-18.7-176.1-49.10000112.5K163 M231 V232 S233 V237K163-T235 PolarHBondContact NZ-OG1 2.75Å; M231-T235 PolarHBondContact O-N 3.17Å; M231-T235 PolarHBondContact O-OG1 2.66Å; V232-T235 PolarHBondContact O-N 3.23Å; S233-T235 VanDerWaalsContact C-N 3.34Å; T235-V237 PolarHBondContact O-N 2.94Å; T235-V237 VanDerWaalsContact O-N 3.16Å
236Q67.3Low83.4Confident117 Ų11740.3 Ų40.355%0.54723%0.23SC..  trans-81.127.4176.8-68.9179.8-25.300113.8H16 V232H16-Q236 PolarHBondContact CD2-NE2 2.83Å; V232-Q236 HydrophobicContact CG1-CG 4.23Å; V232-Q236 WeakPolarHBondContact O-CG 3.49Å; V232-Q236 PolarHBondContact O-N 2.88Å; V232-Q236 VanDerWaalsContact O-N 3.1Å
237V49.7Very low82.5Confident159 Ų15944 Ų4496%0.96425%0.251SS*.  trans-104.80177.4-173.70000109.9K159 T235K159-V237 HydrophobicContact CD-CG2 4.06Å; T235-V237 PolarHBondContact O-N 2.94Å; T235-V237 VanDerWaalsContact O-N 3.16Å

Retrieved 237 of 237 residues in 126.6 ms (Link to these results)

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