A0A077ZLG5_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZLG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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
1M60.5Low68.2Low97 Ų9788.8 Ų88.848%0.47850%0.496SS..  0135.40-166.5162.97700110.1L13 F43M1-L13 HydrophobicContact CE-CD1 3.35Å; M1-F43 HydrophobicContact CB-CZ 4.28Å; M1-F43 HydrophobicContact CE-CD2 4.46Å; M1-F43 HydrophobicContact CE-CE2 3.39Å; M1-F43 HydrophobicContact CE-CZ 3.58Å; M1-F43 HydrophobicContact CG-CZ 4.14Å
2P63.9Low68.1Low112 Ų11288 Ų8873%0.72750%0.501SS*.PPolyproline II helixtrans-76.8152173.431.8-33.3000111.3F43P2-F43 WeakPolarHBondContact O-CZ 3.26Å
3A70.9Confident68.2Low48 Ų4882.2 Ų82.240%0.39747%0.467SS..PPolyproline II helixtrans-60.2141.8176.500000111S5 M40 F43A3-S5 PolarHBondContact O-N 3.44Å; A3-M40 HydrophobicContact CB-CE 4.29Å; A3-F43 HydrophobicContact CB-CD1 4.19Å; A3-F43 HydrophobicContact CB-CE1 4.13Å
4P68.8Low68.3Low31 Ų3178.8 Ų78.820%0.20145%0.447CS..PPolyproline II helixtrans-65.3121.7-179.826-33.3000109.8C9 F10 L13 F43P4-C9 HydrophobicContact CB-CB 3.73Å; P4-F10 HydrophobicContact CB-CB 4.26Å; P4-F10 HydrophobicContact CG-CD2 4.14Å; P4-L13 HydrophobicContact CG-CD2 4.24Å; P4-F43 HydrophobicContact CG-CD2 4.18Å; P4-F43 HydrophobicContact CG-CE2 4.38Å
5S72.1Confident68.5Low112 Ų11276.4 Ų76.478%0.78345%0.447SS*.  trans-84.8-19179.949.90000113.7A3A3-S5 PolarHBondContact O-N 3.44Å
6D71.7Confident68.5Low77 Ų7775.8 Ų75.841%0.41244%0.437SS..SBendtrans-141.2166.7-176.270.159000111.9S8 C9 F10D6-S8 VanDerWaalsContact C-N 3.27Å; D6-S8 PolarHBondContact O-N 3.04Å; D6-S8 WeakPolarHBondContact OD1-CA 3.47Å; D6-S8 WeakPolarHBondContact OD1-CB 3.25Å; D6-S8 PolarHBondContact OD1-N 3.42Å; D6-C9 PolarHBondContact O-N 2.56Å; D6-C9 PolarHBondContact OD1-N 3.15Å; D6-C9 PolarHBondContact OD2-SG 2.85Å; D6-F10 PolarHBondContact O-N 3.32Å
7Q71.8Confident68.4Low153 Ų15371.4 Ų71.472%0.71541%0.411SS*.Hα-helixtrans-63.6-28.6179.6-72.3-172.6-4.200113.7F10 R11Q7-F10 PolarHBondContact O-N 2.94Å; Q7-R11 WeakPolarHBondContact O-CB 3.18Å; Q7-R11 VanDerWaalsContact O-CG 3.29Å; Q7-R11 WeakPolarHBondContact O-CG 3.39Å; Q7-R11 PolarHBondContact O-N 3.08Å
8S66.8Low68.3Low81 Ų8172.6 Ų72.657%0.56641%0.409SS*.Hα-helixtrans-70.2-43.2176.3-176.20000111D6 F10 R11 S12D6-S8 VanDerWaalsContact C-N 3.27Å; D6-S8 PolarHBondContact O-N 3.04Å; D6-S8 WeakPolarHBondContact OD1-CA 3.47Å; D6-S8 WeakPolarHBondContact OD1-CB 3.25Å; D6-S8 PolarHBondContact OD1-N 3.42Å; S8-F10 VanDerWaalsContact C-N 3.32Å; S8-R11 PolarHBondContact O-N 3.34Å; S8-S12 WeakPolarHBondContact O-CB 3.47Å; S8-S12 PolarHBondContact O-N 3.03Å; S8-S12 PolarHBondContact O-OG 3.3Å
9C64.7Low68.2Low52 Ų5273.4 Ų73.435%0.35141%0.405SS..Hα-helixtrans-61.9-41.8171.6-70.40000110.7P4 D6 S12 L13P4-C9 HydrophobicContact CB-CB 3.73Å; D6-C9 PolarHBondContact O-N 2.56Å; D6-C9 PolarHBondContact OD1-N 3.15Å; D6-C9 PolarHBondContact OD2-SG 2.85Å; C9-S12 WeakPolarHBondContact O-CB 3.05Å; C9-S12 PolarHBondContact O-N 3.43Å; C9-L13 PolarHBondContact O-N 2.66Å
10F70.2Confident67.9Low30 Ų3070.7 Ų70.713%0.13239%0.389CS..Hα-helixtrans-64.2-43.1175.8-173.9-95.3000112.5P4 D6 Q7 S8 S12 L13 L14 F34 L38P4-F10 HydrophobicContact CB-CB 4.26Å; P4-F10 HydrophobicContact CG-CD2 4.14Å; D6-F10 PolarHBondContact O-N 3.32Å; Q7-F10 PolarHBondContact O-N 2.94Å; S8-F10 VanDerWaalsContact C-N 3.32Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 2.95Å; F10-L13 WeakPolarHBondContact O-CB 3.44Å; F10-L13 PolarHBondContact O-N 2.81Å; F10-L14 HydrophobicContact CD1-CD1 3.93Å; F10-L14 HydrophobicContact CD1-CG 4.11Å; F10-L14 HydrophobicContact CE1-CD1 3.48Å; F10-L14 VanDerWaalsContact CE1-CD1 3.48Å; F10-L14 HydrophobicContact CE1-CD2 4.13Å; F10-L14 HydrophobicContact CE1-CG 3.7Å; F10-L14 HydrophobicContact CZ-CD1 4.35Å; F10-L14 HydrophobicContact CZ-CD2 4.2Å; F10-L14 HydrophobicContact CZ-CG 4.2Å; F10-L14 PolarHBondContact O-N 3.18Å; F10-F34 AromaticContact CE2-CD1 3.98Å; F10-F34 HydrophobicContact CE2-CD1 3.98Å; F10-F34 AromaticContact CE2-CE1 3.99Å; F10-F34 HydrophobicContact CE2-CE1 3.99Å; F10-F34 AromaticContact CZ-CD1 3.86Å; F10-F34 HydrophobicContact CZ-CD1 3.86Å; F10-F34 HydrophobicContact CZ-CE1 4.35Å; F10-L38 HydrophobicContact CD1-CD2 3.86Å; F10-L38 HydrophobicContact CE1-CD2 3.1Å; F10-L38 HydrophobicContact CE2-CD2 4.38Å; F10-L38 HydrophobicContact CZ-CB 4.5Å; F10-L38 HydrophobicContact CZ-CD2 3.42Å; F10-L38 VanDerWaalsContact CZ-CD2 3.42Å
11R68.6Low67.8Low184 Ų18467.5 Ų67.569%0.69437%0.373SS*.Hα-helixtrans-62.4-37.6173.3-76.2176.6-178.8-157.11.3112.5Q7 S8 L14 G15Q7-R11 WeakPolarHBondContact O-CB 3.18Å; Q7-R11 VanDerWaalsContact O-CG 3.29Å; Q7-R11 WeakPolarHBondContact O-CG 3.39Å; Q7-R11 PolarHBondContact O-N 3.08Å; S8-R11 PolarHBondContact O-N 3.34Å; R11-L14 PolarHBondContact O-N 2.84Å; R11-G15 PolarHBondContact O-N 3.04Å
12S67.4Low68Low79 Ų7968.8 Ų68.855%0.55238%0.381SS*.Hα-helixtrans-64.8-42.4175.3-55.40000111S8 C9 F10 G15 F16S8-S12 WeakPolarHBondContact O-CB 3.47Å; S8-S12 PolarHBondContact O-N 3.03Å; S8-S12 PolarHBondContact O-OG 3.3Å; C9-S12 WeakPolarHBondContact O-CB 3.05Å; C9-S12 PolarHBondContact O-N 3.43Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 2.95Å; S12-G15 PolarHBondContact O-N 2.91Å; S12-F16 PolarHBondContact O-N 3.22Å
13L69Low67.8Low12 Ų1268 Ų686%0.06337%0.367CS..Hα-helixtrans-61.2-44.7172.1175.268.1000112.1M1 P4 C9 F10 G15 F16 V17 F34 F43M1-L13 HydrophobicContact CE-CD1 3.35Å; P4-L13 HydrophobicContact CG-CD2 4.24Å; C9-L13 PolarHBondContact O-N 2.66Å; F10-L13 WeakPolarHBondContact O-CB 3.44Å; F10-L13 PolarHBondContact O-N 2.81Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-G15 PolarHBondContact O-N 3.41Å; L13-F16 CarbonylContact O-C 3.6Å; L13-F16 WeakPolarHBondContact O-CA 3.46Å; L13-F16 VanDerWaalsContact O-CB 3.31Å; L13-F16 WeakPolarHBondContact O-CB 3.47Å; L13-F16 PolarHBondContact O-N 3.02Å; L13-F16 VanDerWaalsContact O-N 3.13Å; L13-V17 HydrophobicContact CD1-CG2 4.2Å; L13-V17 HydrophobicContact CG-CG2 4.34Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.38Å; L13-F34 HydrophobicContact CD2-CE1 4.21Å; L13-F43 HydrophobicContact CD1-CD2 4.42Å; L13-F43 HydrophobicContact CD1-CE2 4.16Å; L13-F43 HydrophobicContact CD2-CD2 3.43Å; L13-F43 VanDerWaalsContact CD2-CD2 3.43Å; L13-F43 HydrophobicContact CD2-CE2 3.82Å
14L70.3Confident67.5Low35 Ų3566.3 Ų66.318%0.18335%0.351CS..Hα-helixtrans-59.5-46.4175.7-76.7-179.5000110.6F10 R11 F16 V17 Y18 F34F10-L14 HydrophobicContact CD1-CD1 3.93Å; F10-L14 HydrophobicContact CD1-CG 4.11Å; F10-L14 HydrophobicContact CE1-CD1 3.48Å; F10-L14 VanDerWaalsContact CE1-CD1 3.48Å; F10-L14 HydrophobicContact CE1-CD2 4.13Å; F10-L14 HydrophobicContact CE1-CG 3.7Å; F10-L14 HydrophobicContact CZ-CD1 4.35Å; F10-L14 HydrophobicContact CZ-CD2 4.2Å; F10-L14 HydrophobicContact CZ-CG 4.2Å; F10-L14 PolarHBondContact O-N 3.18Å; R11-L14 PolarHBondContact O-N 2.84Å; L14-F16 PolarHBondContact O-N 2.84Å; L14-V17 PolarHBondContact O-N 2.95Å; L14-Y18 WeakPolarHBondContact O-CB 3.38Å; L14-Y18 VanDerWaalsContact O-CD2 3.3Å; L14-Y18 WeakPolarHBondContact O-CD2 3.26Å; L14-Y18 PolarHBondContact O-N 3.26Å; L14-F34 HydrophobicContact CD2-CB 3.8Å; L14-F34 HydrophobicContact CD2-CD1 4.07Å; L14-F34 HydrophobicContact CD2-CG 4.21Å
15G70.9Confident67.5Low43 Ų4370.8 Ų70.844%0.44337%0.369SS..Hα-helixtrans-55-41.5174.200000112.3R11 S12 L13 Y18 Y19R11-G15 PolarHBondContact O-N 3.04Å; S12-G15 PolarHBondContact O-N 2.91Å; L13-G15 VanDerWaalsContact C-N 3.33Å; L13-G15 PolarHBondContact O-N 3.41Å; G15-Y18 PolarHBondContact O-N 2.8Å; G15-Y19 WeakPolarHBondContact O-CB 3.27Å; G15-Y19 PolarHBondContact O-N 3.23Å
16F68.1Low67.2Low66 Ų6669.1 Ų69.129%0.28935%0.349SS..Hα-helixtrans-64.2-51.9175.3-167.5-88.7000112.2S12 L13 L14 Y18 Y19 Y20 L50S12-F16 PolarHBondContact O-N 3.22Å; L13-F16 CarbonylContact O-C 3.6Å; L13-F16 WeakPolarHBondContact O-CA 3.46Å; L13-F16 VanDerWaalsContact O-CB 3.31Å; L13-F16 WeakPolarHBondContact O-CB 3.47Å; L13-F16 PolarHBondContact O-N 3.02Å; L13-F16 VanDerWaalsContact O-N 3.13Å; L14-F16 PolarHBondContact O-N 2.84Å; F16-Y18 PolarHBondContact O-N 3.08Å; F16-Y19 PolarHBondContact O-N 2.76Å; F16-Y19 VanDerWaalsContact O-N 3.13Å; F16-Y20 AromaticContact CD1-CD2 3.59Å; F16-Y20 HydrophobicContact CD1-CD2 3.59Å; F16-Y20 AromaticContact CD1-CE2 3.89Å; F16-Y20 HydrophobicContact CD1-CE2 3.89Å; F16-Y20 HydrophobicContact CD2-CD2 4.13Å; F16-Y20 AromaticContact CD2-CE2 3.67Å; F16-Y20 HydrophobicContact CD2-CE2 3.67Å; F16-Y20 AromaticContact CE1-CD2 3.39Å; F16-Y20 HydrophobicContact CE1-CD2 3.39Å; F16-Y20 AromaticContact CE1-CE2 3.45Å; F16-Y20 HydrophobicContact CE1-CE2 3.45Å; F16-Y20 VanDerWaalsContact CE1-CE2 3.45Å; F16-Y20 HydrophobicContact CE1-CG 4.34Å; F16-Y20 AromaticContact CE2-CD2 3.99Å; F16-Y20 HydrophobicContact CE2-CD2 3.99Å; F16-Y20 AromaticContact CE2-CE2 3.24Å; F16-Y20 HydrophobicContact CE2-CE2 3.24Å; F16-Y20 AromaticContact CG-CD2 3.95Å; F16-Y20 HydrophobicContact CG-CD2 3.95Å; F16-Y20 AromaticContact CG-CE2 3.99Å; F16-Y20 HydrophobicContact CG-CE2 3.99Å; F16-Y20 AromaticContact CZ-CD2 3.61Å; F16-Y20 HydrophobicContact CZ-CD2 3.61Å; F16-Y20 AromaticContact CZ-CE2 3.1Å; F16-Y20 HydrophobicContact CZ-CE2 3.1Å; F16-Y20 AromaticContact CZ-CZ 3.78Å; F16-Y20 VanDerWaalsContact O-CD2 3.27Å; F16-Y20 WeakPolarHBondContact O-CD2 3.28Å; F16-Y20 PolarHBondContact O-N 2.99Å; F16-L50 HydrophobicContact CD1-CD1 4.23Å; F16-L50 HydrophobicContact CE1-CD1 3.62Å; F16-L50 HydrophobicContact CE1-CD2 3.77Å; F16-L50 HydrophobicContact CE1-CG 4.37Å
17V66.8Low66.8Low1 Ų165.4 Ų65.41%0.00633%0.329CS..Hα-helixtrans-60.2-37.2176.4173.90000111L13 L14 G21 V46L13-V17 HydrophobicContact CD1-CG2 4.2Å; L13-V17 HydrophobicContact CG-CG2 4.34Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.38Å; L14-V17 PolarHBondContact O-N 2.95Å; V17-G21 WeakPolarHBondContact O-CA 3.4Å; V17-G21 PolarHBondContact O-N 2.84Å; V17-V46 HydrophobicContact CG2-CG1 3.98Å; V17-V46 HydrophobicContact CG2-CG2 4.39Å
18Y67.8Low66.7Low94 Ų9460.7 Ų60.737%0.36931%0.313SS..Hα-helixtrans-61.4-49.5174-97.6-98.8000110.8L14 G15 F16 G21 R31 D35L14-Y18 WeakPolarHBondContact O-CB 3.38Å; L14-Y18 VanDerWaalsContact O-CD2 3.3Å; L14-Y18 WeakPolarHBondContact O-CD2 3.26Å; L14-Y18 PolarHBondContact O-N 3.26Å; G15-Y18 PolarHBondContact O-N 2.8Å; F16-Y18 PolarHBondContact O-N 3.08Å; Y18-G21 PolarHBondContact O-N 2.62Å; Y18-R31 VanDerWaalsContact CA-NH2 3.33Å; Y18-R31 VanDerWaalsContact CD1-NE 3.25Å; Y18-R31 HydrophobicContact CD2-CG 4.35Å; Y18-R31 HydrophobicContact CE1-CG 4.47Å; Y18-R31 VanDerWaalsContact CE1-CZ 3.43Å; Y18-R31 VanDerWaalsContact CE1-NE 3.35Å; Y18-R31 HydrophobicContact CE2-CG 3.9Å; Y18-R31 PolarHBondContact O-NH2 3.44Å; Y18-D35 PolarHBondContact OH-OD1 3.3Å; Y18-D35 PolarHBondContact OH-OD2 3.41Å; Y18-D35 VanDerWaalsContact OH-OD2 3.1Å
19Y64.9Low66.9Low87 Ų8762.2 Ų62.234%0.34131%0.31SS..Hα-helixtrans-61.8-46.7179.2-177.3-97000112.6G15 F16 F23G15-Y19 WeakPolarHBondContact O-CB 3.27Å; G15-Y19 PolarHBondContact O-N 3.23Å; F16-Y19 PolarHBondContact O-N 2.76Å; F16-Y19 VanDerWaalsContact O-N 3.13Å; Y19-F23 HydrophobicContact CE1-CE2 4.34Å; Y19-F23 VanDerWaalsContact O-CD2 3.28Å; Y19-F23 WeakPolarHBondContact O-CD2 3.45Å; Y19-F23 VanDerWaalsContact O-CE2 3.3Å; Y19-F23 WeakPolarHBondContact O-CE2 3.33Å
20Y62.9Low67Low20 Ų2060.2 Ų60.28%0.07830%0.295CS..Hα-helixtrans-78.9-19.4-178.1-73.6-81.3000114.1F16 D22 F23 V24 F88F16-Y20 AromaticContact CD1-CD2 3.59Å; F16-Y20 HydrophobicContact CD1-CD2 3.59Å; F16-Y20 AromaticContact CD1-CE2 3.89Å; F16-Y20 HydrophobicContact CD1-CE2 3.89Å; F16-Y20 HydrophobicContact CD2-CD2 4.13Å; F16-Y20 AromaticContact CD2-CE2 3.67Å; F16-Y20 HydrophobicContact CD2-CE2 3.67Å; F16-Y20 AromaticContact CE1-CD2 3.39Å; F16-Y20 HydrophobicContact CE1-CD2 3.39Å; F16-Y20 AromaticContact CE1-CE2 3.45Å; F16-Y20 HydrophobicContact CE1-CE2 3.45Å; F16-Y20 VanDerWaalsContact CE1-CE2 3.45Å; F16-Y20 HydrophobicContact CE1-CG 4.34Å; F16-Y20 AromaticContact CE2-CD2 3.99Å; F16-Y20 HydrophobicContact CE2-CD2 3.99Å; F16-Y20 AromaticContact CE2-CE2 3.24Å; F16-Y20 HydrophobicContact CE2-CE2 3.24Å; F16-Y20 AromaticContact CG-CD2 3.95Å; F16-Y20 HydrophobicContact CG-CD2 3.95Å; F16-Y20 AromaticContact CG-CE2 3.99Å; F16-Y20 HydrophobicContact CG-CE2 3.99Å; F16-Y20 AromaticContact CZ-CD2 3.61Å; F16-Y20 HydrophobicContact CZ-CD2 3.61Å; F16-Y20 AromaticContact CZ-CE2 3.1Å; F16-Y20 HydrophobicContact CZ-CE2 3.1Å; F16-Y20 AromaticContact CZ-CZ 3.78Å; F16-Y20 VanDerWaalsContact O-CD2 3.27Å; F16-Y20 WeakPolarHBondContact O-CD2 3.28Å; F16-Y20 PolarHBondContact O-N 2.99Å; Y20-D22 PolarHBondContact O-N 3.49Å; Y20-F23 PolarHBondContact O-N 3.14Å; Y20-V24 PolarHBondContact O-N 3.46Å; Y20-F88 HydrophobicContact CD1-CD1 4.39Å; Y20-F88 HydrophobicContact CD1-CD2 4.32Å; Y20-F88 AromaticContact CD1-CE1 3.93Å; Y20-F88 HydrophobicContact CD1-CE1 3.93Å; Y20-F88 AromaticContact CD1-CE2 3.8Å; Y20-F88 HydrophobicContact CD1-CE2 3.8Å; Y20-F88 AromaticContact CD1-CZ 3.58Å; Y20-F88 HydrophobicContact CD1-CZ 3.58Å; Y20-F88 AromaticContact CE1-CD1 3.79Å; Y20-F88 HydrophobicContact CE1-CD1 3.79Å; Y20-F88 HydrophobicContact CE1-CD2 4.36Å; Y20-F88 AromaticContact CE1-CE1 3.6Å; Y20-F88 HydrophobicContact CE1-CE1 3.6Å; Y20-F88 HydrophobicContact CE1-CE2 4.16Å; Y20-F88 HydrophobicContact CE1-CG 4.17Å; Y20-F88 AromaticContact CE1-CZ 3.77Å; Y20-F88 HydrophobicContact CE1-CZ 3.77Å
21G66.2Low66.9Low4 Ų461.6 Ų61.64%0.04130%0.299CS..Hα-helixtrans-59.6-26.2177.800000113.8V17 Y18 F23 S28V17-G21 WeakPolarHBondContact O-CA 3.4Å; V17-G21 PolarHBondContact O-N 2.84Å; Y18-G21 PolarHBondContact O-N 2.62Å; G21-F23 PolarHBondContact O-N 3.38Å; G21-S28 WeakPolarHBondContact O-CB 3.5Å
22D64.5Low66.8Low124 Ų12456.1 Ų56.166%0.66329%0.294SS*.THydrogen-bonded Turntrans-71.2-17.7176.3-69.4-6.7000112.7Y20 R31Y20-D22 PolarHBondContact O-N 3.49Å; D22-R31 IonicContact OD1-NH2 2.81Å
23F59.8Low66.6Low96 Ų9659.8 Ų59.842%0.42130%0.295SS..THydrogen-bonded Turntrans-117-28-174.2-52.2-90.3000112.6Y19 Y20 G21 F88Y19-F23 HydrophobicContact CE1-CE2 4.34Å; Y19-F23 VanDerWaalsContact O-CD2 3.28Å; Y19-F23 WeakPolarHBondContact O-CD2 3.45Å; Y19-F23 VanDerWaalsContact O-CE2 3.3Å; Y19-F23 WeakPolarHBondContact O-CE2 3.33Å; Y20-F23 PolarHBondContact O-N 3.14Å; G21-F23 PolarHBondContact O-N 3.38Å; F23-F88 HydrophobicContact CB-CE2 3.32Å; F23-F88 HydrophobicContact CB-CZ 3.36Å; F23-F88 HydrophobicContact CD1-CE2 4.45Å; F23-F88 AromaticContact CD1-CZ 3.83Å; F23-F88 HydrophobicContact CD1-CZ 3.83Å; F23-F88 HydrophobicContact CD2-CE1 4.39Å; F23-F88 HydrophobicContact CD2-CE2 4.32Å; F23-F88 AromaticContact CD2-CZ 3.49Å; F23-F88 HydrophobicContact CD2-CZ 3.49Å; F23-F88 VanDerWaalsContact CD2-CZ 3.49Å; F23-F88 HydrophobicContact CE1-CZ 4.44Å; F23-F88 HydrophobicContact CE2-CZ 4.13Å; F23-F88 HydrophobicContact CG-CE1 4.35Å; F23-F88 AromaticContact CG-CE2 3.84Å; F23-F88 HydrophobicContact CG-CE2 3.84Å; F23-F88 AromaticContact CG-CZ 3.3Å; F23-F88 HydrophobicContact CG-CZ 3.3Å
24V65.1Low66.4Low12 Ų1259.3 Ų59.37%0.07329%0.293CS..  trans-115.2101.9-176.4-170.50000108.8Y20 E26 L27 S28 I49 L55 F88Y20-V24 PolarHBondContact O-N 3.46Å; V24-E26 PolarHBondContact O-N 3.35Å; V24-E26 VanDerWaalsContact O-N 3.17Å; V24-L27 HydrophobicContact CB-CB 4.05Å; V24-L27 HydrophobicContact CB-CD1 3.86Å; V24-L27 HydrophobicContact CB-CG 3.95Å; V24-L27 HydrophobicContact CG1-CB 4.26Å; V24-L27 HydrophobicContact CG1-CD1 4.08Å; V24-L27 HydrophobicContact CG1-CG 3.84Å; V24-L27 HydrophobicContact CG2-CD1 4.08Å; V24-L27 WeakPolarHBondContact O-CA 3.04Å; V24-L27 WeakPolarHBondContact O-CB 3.27Å; V24-L27 PolarHBondContact O-N 3.25Å; V24-S28 PolarHBondContact O-N 3.19Å; V24-I49 HydrophobicContact CG1-CG2 3.86Å; V24-L55 HydrophobicContact CB-CD2 4.21Å; V24-L55 HydrophobicContact CG1-CD2 3.91Å; V24-L55 HydrophobicContact CG2-CD2 3.23Å; V24-F88 HydrophobicContact CG2-CE2 4.21Å
25H67.1Low66.1Low125 Ų12562.2 Ų62.258%0.57931%0.309SS*.Hα-helixtrans-55.9-36.4-175.6-176.7-102.6000113.3S28 K29H25-S28 VanDerWaalsContact O-CB 3.23Å; H25-S28 WeakPolarHBondContact O-CB 3.49Å; H25-S28 PolarHBondContact O-N 2.8Å; H25-K29 WeakPolarHBondContact CE1-CE 3.34Å; H25-K29 WeakPolarHBondContact ND1-CE 3.37Å; H25-K29 PolarHBondContact O-N 2.81Å
26E66.3Low65.7Low76 Ų7664 Ų6436%0.35532%0.319SS..Hα-helixtrans-71-31.4177.7-58.7-44.2123.100112.9V24 K29 M30 I49V24-E26 PolarHBondContact O-N 3.35Å; V24-E26 VanDerWaalsContact O-N 3.17Å; E26-K29 VanDerWaalsContact CD-NZ 3.29Å; E26-K29 IonicContact OE1-NZ 3.44Å; E26-K29 PolarHBondContact OE1-NZ 3.4Å; E26-K29 WeakPolarHBondContact OE2-CD 3.13Å; E26-K29 IonicContact OE2-NZ 2.84Å; E26-K29 PolarHBondContact OE2-NZ 3.38Å; E26-M30 WeakPolarHBondContact O-CB 3.33Å; E26-M30 VanDerWaalsContact O-CG 3.24Å; E26-M30 WeakPolarHBondContact O-CG 3.12Å; E26-M30 PolarHBondContact O-N 3.25Å; E26-M30 VanDerWaalsContact O-N 3.08Å; E26-I49 HydrophobicContact CB-CD1 3.93Å
27L64.3Low65Low0 Ų065.1 Ų65.10%033%0.327CS..Hα-helixtrans-70.1-35.2168.9-66178.7000111.5V24 M30 R31 V46 I49 L50V24-L27 HydrophobicContact CB-CB 4.05Å; V24-L27 HydrophobicContact CB-CD1 3.86Å; V24-L27 HydrophobicContact CB-CG 3.95Å; V24-L27 HydrophobicContact CG1-CB 4.26Å; V24-L27 HydrophobicContact CG1-CD1 4.08Å; V24-L27 HydrophobicContact CG1-CG 3.84Å; V24-L27 HydrophobicContact CG2-CD1 4.08Å; V24-L27 WeakPolarHBondContact O-CA 3.04Å; V24-L27 WeakPolarHBondContact O-CB 3.27Å; V24-L27 PolarHBondContact O-N 3.25Å; L27-M30 CarbonylContact O-C 3.49Å; L27-M30 PolarHBondContact O-N 2.79Å; L27-R31 PolarHBondContact O-N 2.79Å; L27-V46 HydrophobicContact CD2-CB 4.19Å; L27-V46 HydrophobicContact CD2-CG1 3.87Å; L27-V46 HydrophobicContact CD2-CG2 3.77Å; L27-I49 HydrophobicContact CD2-CB 4.39Å; L27-I49 HydrophobicContact CD2-CD1 4.41Å; L27-I49 HydrophobicContact CD2-CG2 4.12Å; L27-I49 HydrophobicContact CG-CG2 4.06Å; L27-L50 HydrophobicContact CD1-CD2 3.73Å; L27-L50 HydrophobicContact CD1-CG 4.45Å
28S69.8Low64.5Low54 Ų5471.6 Ų71.638%0.37836%0.361SS..Hα-helixtrans-58.6-46.8174.2-162.30000111.9G21 V24 H25 M30 R31G21-S28 WeakPolarHBondContact O-CB 3.5Å; V24-S28 PolarHBondContact O-N 3.19Å; H25-S28 VanDerWaalsContact O-CB 3.23Å; H25-S28 WeakPolarHBondContact O-CB 3.49Å; H25-S28 PolarHBondContact O-N 2.8Å; S28-M30 VanDerWaalsContact C-N 3.33Å; S28-M30 PolarHBondContact O-N 2.75Å; S28-R31 VanDerWaalsContact O-CB 3.25Å; S28-R31 WeakPolarHBondContact O-CB 2.87Å; S28-R31 PolarHBondContact O-N 2.77Å
29K70.9Confident64Low113 Ų11372.9 Ų72.949%0.49137%0.37SS..Hα-helixtrans-62.8-40.3173.8-69.7-178.2-167.7146.90112.4H25 E26 R31H25-K29 WeakPolarHBondContact CE1-CE 3.34Å; H25-K29 WeakPolarHBondContact ND1-CE 3.37Å; H25-K29 PolarHBondContact O-N 2.81Å; E26-K29 VanDerWaalsContact CD-NZ 3.29Å; E26-K29 IonicContact OE1-NZ 3.44Å; E26-K29 PolarHBondContact OE1-NZ 3.4Å; E26-K29 WeakPolarHBondContact OE2-CD 3.13Å; E26-K29 IonicContact OE2-NZ 2.84Å; E26-K29 PolarHBondContact OE2-NZ 3.38Å; K29-R31 VanDerWaalsContact C-N 3.25Å; K29-R31 PolarHBondContact O-N 3Å
30M66.4Low63.6Low9 Ų975 Ų754%0.04439%0.385CS..Hα-helixtrans-68.6-23.9179.1-73.9-71.7-73.600112.4E26 L27 S28 A32 R33 F34 A42 H45 V46 I49E26-M30 WeakPolarHBondContact O-CB 3.33Å; E26-M30 VanDerWaalsContact O-CG 3.24Å; E26-M30 WeakPolarHBondContact O-CG 3.12Å; E26-M30 PolarHBondContact O-N 3.25Å; E26-M30 VanDerWaalsContact O-N 3.08Å; L27-M30 CarbonylContact O-C 3.49Å; L27-M30 PolarHBondContact O-N 2.79Å; S28-M30 VanDerWaalsContact C-N 3.33Å; S28-M30 PolarHBondContact O-N 2.75Å; M30-A32 VanDerWaalsContact C-N 3.29Å; M30-A32 PolarHBondContact O-N 3.2Å; M30-R33 CarbonylContact O-C 3.59Å; M30-R33 WeakPolarHBondContact O-CA 3.2Å; M30-R33 WeakPolarHBondContact O-CB 3.12Å; M30-R33 PolarHBondContact O-N 3.11Å; M30-F34 HydrophobicContact CE-CE2 4.08Å; M30-F34 PolarHBondContact O-N 2.81Å; M30-A42 HydrophobicContact CE-CB 3.89Å; M30-H45 HydrophobicContact CE-CB 4.1Å; M30-V46 HydrophobicContact CE-CG2 4.26Å; M30-I49 HydrophobicContact CG-CD1 4.49Å
31R67.2Low63.7Low59 Ų5978.3 Ų78.322%0.22341%0.409CS..Hα-helixtrans-52.5-47.6175.6-171.3-171.5-91.1175.8-1.3111.3Y18 D22 L27 S28 K29 R33 F34 D35Y18-R31 VanDerWaalsContact CA-NH2 3.33Å; Y18-R31 VanDerWaalsContact CD1-NE 3.25Å; Y18-R31 HydrophobicContact CD2-CG 4.35Å; Y18-R31 HydrophobicContact CE1-CG 4.47Å; Y18-R31 VanDerWaalsContact CE1-CZ 3.43Å; Y18-R31 VanDerWaalsContact CE1-NE 3.35Å; Y18-R31 HydrophobicContact CE2-CG 3.9Å; Y18-R31 PolarHBondContact O-NH2 3.44Å; D22-R31 IonicContact OD1-NH2 2.81Å; L27-R31 PolarHBondContact O-N 2.79Å; S28-R31 VanDerWaalsContact O-CB 3.25Å; S28-R31 WeakPolarHBondContact O-CB 2.87Å; S28-R31 PolarHBondContact O-N 2.77Å; K29-R31 VanDerWaalsContact C-N 3.25Å; K29-R31 PolarHBondContact O-N 3Å; R31-R33 VanDerWaalsContact C-N 3.25Å; R31-R33 PolarHBondContact O-N 2.88Å; R31-F34 PolarHBondContact O-N 3.22Å; R31-F34 VanDerWaalsContact O-N 3.14Å; R31-D35 PolarHBondContact O-N 3.49Å
32A67.6Low63.7Low69 Ų6978.9 Ų78.957%0.5741%0.413SS*.Hα-helixtrans-62.3-32.9177.900000112.8M30 A36M30-A32 VanDerWaalsContact C-N 3.29Å; M30-A32 PolarHBondContact O-N 3.2Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 3.47Å
33R62.3Low63.9Low156 Ų15673.3 Ų73.359%0.58938%0.383SS*.Hα-helixtrans-72.7-37.8175.1-74.2-179.3174.6170.7-2.9112.2M30 R31 A36 L37M30-R33 CarbonylContact O-C 3.59Å; M30-R33 WeakPolarHBondContact O-CA 3.2Å; M30-R33 WeakPolarHBondContact O-CB 3.12Å; M30-R33 PolarHBondContact O-N 3.11Å; R31-R33 VanDerWaalsContact C-N 3.25Å; R31-R33 PolarHBondContact O-N 2.88Å; R33-A36 PolarHBondContact O-N 3.39Å; R33-L37 WeakPolarHBondContact O-CA 3.21Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 PolarHBondContact O-N 3.41Å
34F64.9Low64.5Low3 Ų373.6 Ų73.61%0.01339%0.389CS..Hα-helixtrans-71.2-37.6177.6-93.4-82.7000113.2F10 L13 L14 M30 R31 A36 A42 V46F10-F34 AromaticContact CE2-CD1 3.98Å; F10-F34 HydrophobicContact CE2-CD1 3.98Å; F10-F34 AromaticContact CE2-CE1 3.99Å; F10-F34 HydrophobicContact CE2-CE1 3.99Å; F10-F34 AromaticContact CZ-CD1 3.86Å; F10-F34 HydrophobicContact CZ-CD1 3.86Å; F10-F34 HydrophobicContact CZ-CE1 4.35Å; L13-F34 HydrophobicContact CD2-CE1 4.21Å; L14-F34 HydrophobicContact CD2-CB 3.8Å; L14-F34 HydrophobicContact CD2-CD1 4.07Å; L14-F34 HydrophobicContact CD2-CG 4.21Å; M30-F34 HydrophobicContact CE-CE2 4.08Å; M30-F34 PolarHBondContact O-N 2.81Å; R31-F34 PolarHBondContact O-N 3.22Å; R31-F34 VanDerWaalsContact O-N 3.14Å; F34-A36 PolarHBondContact O-N 3.21Å; F34-A42 HydrophobicContact CD2-CB 4.11Å; F34-A42 HydrophobicContact CE1-CB 4Å; F34-A42 HydrophobicContact CE2-CB 3.47Å; F34-A42 VanDerWaalsContact CE2-CB 3.47Å; F34-A42 HydrophobicContact CZ-CB 3.44Å; F34-A42 VanDerWaalsContact CZ-CB 3.44Å; F34-A42 WeakPolarHBondContact CZ-O 3.25Å; F34-V46 HydrophobicContact CD2-CG2 4.35Å; F34-V46 HydrophobicContact CE2-CB 4.44Å; F34-V46 HydrophobicContact CE2-CG2 3.35Å; F34-V46 HydrophobicContact CZ-CG2 3.88Å
35D63.6Low64.8Low96 Ų9676.9 Ų76.951%0.51340%0.404SS..Hα-helixtrans-63-30.6173.7-72.4-25.5000110.9Y18 R31Y18-D35 PolarHBondContact OH-OD1 3.3Å; Y18-D35 PolarHBondContact OH-OD2 3.41Å; Y18-D35 VanDerWaalsContact OH-OD2 3.1Å; R31-D35 PolarHBondContact O-N 3.49Å
36A62.2Low64.9Low79 Ų7971 Ų7165%0.65338%0.376SS*.Hα-helixtrans-91.2-31.4-179.700000114.7A32 R33 F34A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 3.47Å; R33-A36 PolarHBondContact O-N 3.39Å; F34-A36 PolarHBondContact O-N 3.21Å
37L53.6Low65Low91 Ų9170.4 Ų70.448%0.47637%0.373SS..  trans-133.1109-172.7-64.9168.7000109.6R33 E39R33-L37 WeakPolarHBondContact O-CA 3.21Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 PolarHBondContact O-N 3.41Å; L37-E39 HydrophobicContact CB-CG 4.44Å; L37-E39 PolarHBondContact O-N 2.94Å
38L57.4Low65.3Low136 Ų13676.3 Ų76.371%0.71240%0.4SS*.  trans-70.227.4170.3-67.2171.6000112.6F10F10-L38 HydrophobicContact CD1-CD2 3.86Å; F10-L38 HydrophobicContact CE1-CD2 3.1Å; F10-L38 HydrophobicContact CE2-CD2 4.38Å; F10-L38 HydrophobicContact CZ-CB 4.5Å; F10-L38 HydrophobicContact CZ-CD2 3.42Å; F10-L38 VanDerWaalsContact CZ-CD2 3.42Å
39E56.7Low65.3Low121 Ų12174.4 Ų74.457%0.56539%0.386SS*.  trans-101.1138.2-165.2-61.6-157.6155.600113.8L37 P41 A42L37-E39 HydrophobicContact CB-CG 4.44Å; L37-E39 PolarHBondContact O-N 2.94Å; E39-P41 WeakPolarHBondContact O-CD 3.28Å; E39-A42 WeakPolarHBondContact O-CB 3.34Å; E39-A42 PolarHBondContact O-N 3.42Å
40M57Low65Low131 Ų13170.7 Ų70.765%0.64537%0.371SS*.Hα-helixtrans-52.9-32.1-179.6-64.8173.3109.400115.9A3 A42 F43 D44A3-M40 HydrophobicContact CB-CE 4.29Å; M40-A42 PolarHBondContact O-N 3.09Å; M40-F43 WeakPolarHBondContact O-CA 3.47Å; M40-F43 WeakPolarHBondContact O-CB 3.41Å; M40-F43 PolarHBondContact O-N 2.97Å; M40-D44 PolarHBondContact O-N 2.96Å
41P63.8Low64.9Low90 Ų9076.1 Ų76.158%0.58440%0.396SS*.Hα-helixtrans-60.5-31.3178.5-22.833.8000112.9E39 F43 H45E39-P41 WeakPolarHBondContact O-CD 3.28Å; P41-F43 PolarHBondContact O-N 3.44Å; P41-H45 PolarHBondContact O-N 2.9Å
42A68.1Low65Low16 Ų1674.8 Ų74.813%0.13240%0.396CS..Hα-helixtrans-67.9-28.617600000111.7M30 F34 E39 M40 V46M30-A42 HydrophobicContact CE-CB 3.89Å; F34-A42 HydrophobicContact CD2-CB 4.11Å; F34-A42 HydrophobicContact CE1-CB 4Å; F34-A42 HydrophobicContact CE2-CB 3.47Å; F34-A42 VanDerWaalsContact CE2-CB 3.47Å; F34-A42 HydrophobicContact CZ-CB 3.44Å; F34-A42 VanDerWaalsContact CZ-CB 3.44Å; F34-A42 WeakPolarHBondContact CZ-O 3.25Å; E39-A42 WeakPolarHBondContact O-CB 3.34Å; E39-A42 PolarHBondContact O-N 3.42Å; M40-A42 PolarHBondContact O-N 3.09Å; A42-V46 WeakPolarHBondContact O-CG2 3.48Å; A42-V46 PolarHBondContact O-N 3.45Å
43F68.3Low64.6Low8 Ų878.4 Ų78.44%0.03541%0.406CS..Hα-helixtrans-63.3-50.3176.4-179.3-93.9000111.9M1 P2 A3 P4 L13 M40 P41 H45 V46 K47M1-F43 HydrophobicContact CB-CZ 4.28Å; M1-F43 HydrophobicContact CE-CD2 4.46Å; M1-F43 HydrophobicContact CE-CE2 3.39Å; M1-F43 HydrophobicContact CE-CZ 3.58Å; M1-F43 HydrophobicContact CG-CZ 4.14Å; P2-F43 WeakPolarHBondContact O-CZ 3.26Å; A3-F43 HydrophobicContact CB-CD1 4.19Å; A3-F43 HydrophobicContact CB-CE1 4.13Å; P4-F43 HydrophobicContact CG-CD2 4.18Å; P4-F43 HydrophobicContact CG-CE2 4.38Å; L13-F43 HydrophobicContact CD1-CD2 4.42Å; L13-F43 HydrophobicContact CD1-CE2 4.16Å; L13-F43 HydrophobicContact CD2-CD2 3.43Å; L13-F43 VanDerWaalsContact CD2-CD2 3.43Å; L13-F43 HydrophobicContact CD2-CE2 3.82Å; M40-F43 WeakPolarHBondContact O-CA 3.47Å; M40-F43 WeakPolarHBondContact O-CB 3.41Å; M40-F43 PolarHBondContact O-N 2.97Å; P41-F43 PolarHBondContact O-N 3.44Å; F43-H45 VanDerWaalsContact C-N 3.27Å; F43-H45 PolarHBondContact O-N 2.96Å; F43-V46 PolarHBondContact O-N 3.31Å; F43-K47 HydrophobicContact CE1-CB 4.5Å; F43-K47 HydrophobicContact CE1-CD 4.26Å; F43-K47 WeakPolarHBondContact O-CB 3.49Å; F43-K47 PolarHBondContact O-N 3.03Å
44D72.4Confident64.5Low102 Ų10275.9 Ų75.955%0.54540%0.403SS..Hα-helixtrans-63.6-38.5-176.9-70.9-34000110.9M40 K47 E48M40-D44 PolarHBondContact O-N 2.96Å; D44-K47 WeakPolarHBondContact O-CB 3.24Å; D44-K47 PolarHBondContact O-N 3.38Å; D44-E48 WeakPolarHBondContact O-CB 3.45Å; D44-E48 PolarHBondContact O-N 3.16Å
45H69.8Low64.2Low81 Ų8176.3 Ų76.338%0.37541%0.406SS..Hα-helixtrans-68.2-38.6175.8-164.554.9000112.9M30 P41 F43 K47 E48 I49M30-H45 HydrophobicContact CE-CB 4.1Å; P41-H45 PolarHBondContact O-N 2.9Å; F43-H45 VanDerWaalsContact C-N 3.27Å; F43-H45 PolarHBondContact O-N 2.96Å; H45-K47 VanDerWaalsContact C-N 3.33Å; H45-E48 IonicContact ND1-OE2 3.87Å; H45-E48 PolarHBondContact ND1-OE2 2.79Å; H45-E48 PolarHBondContact O-N 3.07Å; H45-I49 VanDerWaalsContact O-CG1 3.31Å; H45-I49 WeakPolarHBondContact O-CG1 3.3Å; H45-I49 PolarHBondContact O-N 3.42Å
46V69.6Low64.3Low0 Ų075.8 Ų75.80%040%0.402CS..Hα-helixtrans-61.9-44.7172163.30000110.7V17 L27 M30 F34 A42 F43 E48 I49 L50V17-V46 HydrophobicContact CG2-CG1 3.98Å; V17-V46 HydrophobicContact CG2-CG2 4.39Å; L27-V46 HydrophobicContact CD2-CB 4.19Å; L27-V46 HydrophobicContact CD2-CG1 3.87Å; L27-V46 HydrophobicContact CD2-CG2 3.77Å; M30-V46 HydrophobicContact CE-CG2 4.26Å; F34-V46 HydrophobicContact CD2-CG2 4.35Å; F34-V46 HydrophobicContact CE2-CB 4.44Å; F34-V46 HydrophobicContact CE2-CG2 3.35Å; F34-V46 HydrophobicContact CZ-CG2 3.88Å; A42-V46 WeakPolarHBondContact O-CG2 3.48Å; A42-V46 PolarHBondContact O-N 3.45Å; F43-V46 PolarHBondContact O-N 3.31Å; V46-E48 VanDerWaalsContact C-N 3.31Å; V46-E48 PolarHBondContact O-N 2.81Å; V46-I49 PolarHBondContact O-N 3.48Å; V46-L50 HydrophobicContact CG1-CD1 3.63Å; V46-L50 HydrophobicContact CG1-CG 4.12Å; V46-L50 WeakPolarHBondContact O-CB 3.45Å; V46-L50 WeakPolarHBondContact O-CG 3.18Å; V46-L50 PolarHBondContact O-N 2.63Å
47K69Low64.4Low65 Ų6573.6 Ų73.628%0.28338%0.381SS..Hα-helixtrans-59.5-43.6177.3-178.3-178.4167.7-172.20111.1F43 D44 H45 L50 E51F43-K47 HydrophobicContact CE1-CB 4.5Å; F43-K47 HydrophobicContact CE1-CD 4.26Å; F43-K47 WeakPolarHBondContact O-CB 3.49Å; F43-K47 PolarHBondContact O-N 3.03Å; D44-K47 WeakPolarHBondContact O-CB 3.24Å; D44-K47 PolarHBondContact O-N 3.38Å; H45-K47 VanDerWaalsContact C-N 3.33Å; K47-L50 PolarHBondContact O-N 3.01Å; K47-E51 WeakPolarHBondContact CE-OE1 3.48Å; K47-E51 HydrophobicContact CG-CG 4.42Å; K47-E51 WeakPolarHBondContact CG-OE1 3.43Å; K47-E51 WeakPolarHBondContact O-CB 3.3Å; K47-E51 VanDerWaalsContact O-CG 3.31Å; K47-E51 WeakPolarHBondContact O-CG 3.29Å; K47-E51 PolarHBondContact O-N 2.83Å
48E70.9Confident65.2Low124 Ų12477.6 Ų77.658%0.57940%0.397SS*.Hα-helixtrans-61.8-45.9176.2-172.7-177-166.800112.2D44 H45 V46 L50 E51 S52D44-E48 WeakPolarHBondContact O-CB 3.45Å; D44-E48 PolarHBondContact O-N 3.16Å; H45-E48 IonicContact ND1-OE2 3.87Å; H45-E48 PolarHBondContact ND1-OE2 2.79Å; H45-E48 PolarHBondContact O-N 3.07Å; V46-E48 VanDerWaalsContact C-N 3.31Å; V46-E48 PolarHBondContact O-N 2.81Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 2.91Å; E48-E51 CarbonylContact O-C 3.56Å; E48-E51 PolarHBondContact O-N 3.07Å; E48-S52 WeakPolarHBondContact O-CB 3.26Å; E48-S52 PolarHBondContact O-N 3.07Å
49I69.6Low65.8Low14 Ų1473.6 Ų73.67%0.07237%0.373CS..Hα-helixtrans-60.7-42.6175.1-67.7164.2000110.5V24 E26 L27 M30 H45 V46 E51 S52V24-I49 HydrophobicContact CG1-CG2 3.86Å; E26-I49 HydrophobicContact CB-CD1 3.93Å; L27-I49 HydrophobicContact CD2-CB 4.39Å; L27-I49 HydrophobicContact CD2-CD1 4.41Å; L27-I49 HydrophobicContact CD2-CG2 4.12Å; L27-I49 HydrophobicContact CG-CG2 4.06Å; M30-I49 HydrophobicContact CG-CD1 4.49Å; H45-I49 VanDerWaalsContact O-CG1 3.31Å; H45-I49 WeakPolarHBondContact O-CG1 3.3Å; H45-I49 PolarHBondContact O-N 3.42Å; V46-I49 PolarHBondContact O-N 3.48Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 2.78Å; I49-S52 WeakPolarHBondContact O-CB 3.43Å; I49-S52 PolarHBondContact O-N 2.8Å; I49-S52 PolarHBondContact O-OG 2.92Å
50L64.3Low66.6Low35 Ų3569.9 Ų69.918%0.18336%0.357CS..Hα-helixtrans-67.1-33.1179.4-71172.9000113F16 L27 V46 K47 E48 S52 L55F16-L50 HydrophobicContact CD1-CD1 4.23Å; F16-L50 HydrophobicContact CE1-CD1 3.62Å; F16-L50 HydrophobicContact CE1-CD2 3.77Å; F16-L50 HydrophobicContact CE1-CG 4.37Å; L27-L50 HydrophobicContact CD1-CD2 3.73Å; L27-L50 HydrophobicContact CD1-CG 4.45Å; V46-L50 HydrophobicContact CG1-CD1 3.63Å; V46-L50 HydrophobicContact CG1-CG 4.12Å; V46-L50 WeakPolarHBondContact O-CB 3.45Å; V46-L50 WeakPolarHBondContact O-CG 3.18Å; V46-L50 PolarHBondContact O-N 2.63Å; K47-L50 PolarHBondContact O-N 3.01Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 2.91Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-L55 HydrophobicContact CB-CD1 4.32Å; L50-L55 HydrophobicContact CD2-CD1 3.64Å
51E65.2Low67.4Low123 Ų12366.5 Ų66.558%0.57534%0.344SS*.Hα-helixtrans-86-9.5177.8-70.7173.8-178.900112.2K47 E48 I49K47-E51 WeakPolarHBondContact CE-OE1 3.48Å; K47-E51 HydrophobicContact CG-CG 4.42Å; K47-E51 WeakPolarHBondContact CG-OE1 3.43Å; K47-E51 WeakPolarHBondContact O-CB 3.3Å; K47-E51 VanDerWaalsContact O-CG 3.31Å; K47-E51 WeakPolarHBondContact O-CG 3.29Å; K47-E51 PolarHBondContact O-N 2.83Å; E48-E51 CarbonylContact O-C 3.56Å; E48-E51 PolarHBondContact O-N 3.07Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 2.78Å
52S67.5Low68Low30 Ų3068 Ų6821%0.2135%0.353CS..SBendtrans-70.7154.5178.879.20000112.8E48 I49 L50 L54 L55E48-S52 WeakPolarHBondContact O-CB 3.26Å; E48-S52 PolarHBondContact O-N 3.07Å; I49-S52 WeakPolarHBondContact O-CB 3.43Å; I49-S52 PolarHBondContact O-N 2.8Å; I49-S52 PolarHBondContact O-OG 2.92Å; L50-S52 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 2.81Å; S52-L54 VanDerWaalsContact OG-CB 3.31Å; S52-L54 WeakPolarHBondContact OG-CB 3.36Å; S52-L54 PolarHBondContact OG-N 2.61Å; S52-L55 PolarHBondContact O-N 2.89Å
53N61.2Low68.3Low145 Ų14571.3 Ų71.378%0.77536%0.364SS*.G310 helixtrans-62.7-8.2173.5-64.9-24.6000113.2L55 L56N53-L55 PolarHBondContact O-N 2.85Å; N53-L56 PolarHBondContact O-N 3.07Å
54L59Low68.6Low103 Ų10376.1 Ų76.154%0.53939%0.386SS..G310 helixtrans-65.4-14.5174.3-64.4168.8000112.4S52 F87S52-L54 PolarHBondContact O-N 2.81Å; S52-L54 VanDerWaalsContact OG-CB 3.31Å; S52-L54 WeakPolarHBondContact OG-CB 3.36Å; S52-L54 PolarHBondContact OG-N 2.61Å; L54-F87 WeakPolarHBondContact O-CD1 3.28Å; L54-F87 WeakPolarHBondContact O-CE1 3.27Å
55L59.5Low68.7Low13 Ų1371.4 Ų71.47%0.06836%0.361CS..G310 helixtrans-105.3-11.9178.9-60.2-163.1000114.3V24 L50 S52 N53 F88V24-L55 HydrophobicContact CB-CD2 4.21Å; V24-L55 HydrophobicContact CG1-CD2 3.91Å; V24-L55 HydrophobicContact CG2-CD2 3.23Å; L50-L55 HydrophobicContact CB-CD1 4.32Å; L50-L55 HydrophobicContact CD2-CD1 3.64Å; S52-L55 PolarHBondContact O-N 2.89Å; N53-L55 PolarHBondContact O-N 2.85Å; L55-F88 HydrophobicContact CD2-CD2 4.49Å; L55-F88 CarbonylContact O-C 3.58Å; L55-F88 WeakPolarHBondContact O-CA 3.31Å; L55-F88 VanDerWaalsContact O-CB 3.32Å; L55-F88 WeakPolarHBondContact O-CB 3.36Å; L55-F88 PolarHBondContact O-N 3.32Å
56L64.7Low68.9Low84 Ų8468.9 Ų68.944%0.4435%0.35SS..BIsolated β-bridgetrans-110.1116.7-171.5-65.3173.7000110.5N53 F88 S90N53-L56 PolarHBondContact O-N 3.07Å; L56-F88 VanDerWaalsContact CA-O 3.32Å; L56-F88 WeakPolarHBondContact CA-O 3.35Å; L56-S90 WeakPolarHBondContact CD2-OG 3.29Å
57T65.1Low69Low34 Ų3469 Ų6921%0.20935%0.351CS..PPolyproline II helixtrans-103161.1169.3-166.50000110.7F87 F88 L89T57-F87 HydrophobicContact CG2-CB 4.1Å; T57-F88 PolarHBondContact N-O 3.25Å; T57-F88 VanDerWaalsContact N-O 3.07Å; T57-L89 HydrophobicContact CG2-CD1 4.14Å; T57-L89 HydrophobicContact CG2-CG 4.07Å; T57-L89 WeakPolarHBondContact O-CD2 3.33Å; T57-L89 WeakPolarHBondContact O-CG 3.47Å
58H69.8Low69.1Low174 Ų17466.4 Ų66.481%0.80634%0.341SS*.PPolyproline II helixtrans-68.5136.9170-75.7-70.3000110.2D60H58-D60 PolarHBondContact O-N 2.78Å
59Y71.2Confident69Low53 Ų5360.8 Ų60.821%0.20832%0.316CS..PPolyproline II helixtrans-62.5121.1171.5179.3-105.3000110.3P61 I65 I80 H82 L89 M96Y59-P61 HydrophobicContact CE1-CB 4.15Å; Y59-I65 HydrophobicContact CE2-CD1 3.51Å; Y59-I65 HydrophobicContact CE2-CG1 4.2Å; Y59-I65 VanDerWaalsContact OH-CD1 3.28Å; Y59-I65 WeakPolarHBondContact OH-CD1 3.22Å; Y59-I80 HydrophobicContact CD2-CG2 4.33Å; Y59-I80 HydrophobicContact CE2-CG2 4.35Å; Y59-H82 AromaticContact CD2-CE1 3.77Å; Y59-H82 AromaticContact CD2-NE2 3.39Å; Y59-H82 WeakPolarHBondContact CD2-NE2 3.45Å; Y59-H82 AromaticContact CE2-CE1 3.84Å; Y59-H82 AromaticContact CE2-NE2 3.95Å; Y59-L89 HydrophobicContact CD2-CD1 3.9Å; Y59-L89 HydrophobicContact CG-CD1 4.39Å; Y59-M96 HydrophobicContact CD1-CE 3.85Å; Y59-M96 HydrophobicContact CD1-SD 3.37Å; Y59-M96 WeakPolarHBondContact CD1-SD 3.42Å; Y59-M96 HydrophobicContact CD2-CE 3.34Å; Y59-M96 HydrophobicContact CD2-SD 4.02Å; Y59-M96 HydrophobicContact CE1-CB 4.26Å; Y59-M96 HydrophobicContact CE1-CE 4.27Å; Y59-M96 HydrophobicContact CE1-CG 4.49Å; Y59-M96 HydrophobicContact CE1-SD 3.64Å; Y59-M96 HydrophobicContact CE2-CB 4.29Å; Y59-M96 HydrophobicContact CE2-CE 3.82Å; Y59-M96 HydrophobicContact CE2-SD 4.26Å; Y59-M96 HydrophobicContact CG-CE 3.34Å; Y59-M96 HydrophobicContact CG-SD 3.56Å; Y59-M96 VanDerWaalsContact CG-SD 3.56Å; Y59-M96 PolarHBondContact OH-O 3.18Å
60D71.9Confident69Low42 Ų4264.8 Ų64.823%0.22534%0.338CS..  trans-114.8107.2178.1-173.8-18.4000109.4H58 T62 K63 H82H58-D60 PolarHBondContact O-N 2.78Å; D60-T62 PolarHBondContact O-N 2.99Å; D60-T62 WeakPolarHBondContact OD1-CB 3.19Å; D60-T62 PolarHBondContact OD1-N 2.96Å; D60-T62 PolarHBondContact OD1-OG1 2.9Å; D60-T62 PolarHBondContact OD2-OG1 3.34Å; D60-K63 HydrophobicContact CB-CB 4.38Å; D60-K63 HydrophobicContact CB-CD 3.86Å; D60-K63 HydrophobicContact CB-CG 4.05Å; D60-K63 PolarHBondContact O-N 2.88Å; D60-K63 VanDerWaalsContact O-N 3.15Å; D60-K63 WeakPolarHBondContact OD2-CE 3.27Å; D60-K63 IonicContact OD2-NZ 3.26Å; D60-K63 PolarHBondContact OD2-NZ 3.4Å; D60-H82 PolarHBondContact N-NE2 3.33Å; D60-H82 PolarHBondContact O-CE1 3.14Å
61P74.6Confident69.1Low60 Ų6063.7 Ų63.739%0.3933%0.333SS..THydrogen-bonded Turntrans-63.6-9.2179.223.9-31.5000113.7Y59 R100Y59-P61 HydrophobicContact CE1-CB 4.15Å; P61-R100 VanDerWaalsContact O-CZ 3.27Å; P61-R100 PolarHBondContact O-NH1 2.93Å; P61-R100 PolarHBondContact O-NH2 2.74Å
62T76.2Confident69.1Low123 Ų12361.2 Ų61.276%0.75533%0.329SS*.THydrogen-bonded Turntrans-89.7-15.3178.466.90000112.5D60D60-T62 PolarHBondContact O-N 2.99Å; D60-T62 WeakPolarHBondContact OD1-CB 3.19Å; D60-T62 PolarHBondContact OD1-N 2.96Å; D60-T62 PolarHBondContact OD1-OG1 2.9Å; D60-T62 PolarHBondContact OD2-OG1 3.34Å
63K74.6Confident68.5Low84 Ų8466.7 Ų66.737%0.36536%0.356SS..SBendtrans-90.4148.8-176.6-67.4179.6-173.6153.10111.4D60 H82D60-K63 HydrophobicContact CB-CB 4.38Å; D60-K63 HydrophobicContact CB-CD 3.86Å; D60-K63 HydrophobicContact CB-CG 4.05Å; D60-K63 PolarHBondContact O-N 2.88Å; D60-K63 VanDerWaalsContact O-N 3.15Å; D60-K63 WeakPolarHBondContact OD2-CE 3.27Å; D60-K63 IonicContact OD2-NZ 3.26Å; D60-K63 PolarHBondContact OD2-NZ 3.4Å; K63-H82 HydrophobicContact CB-CB 4.33Å; K63-H82 WeakPolarHBondContact CB-ND1 3.3Å; K63-H82 HydrophobicContact CD-CB 4.45Å
64E74.6Confident68.3Low109 Ų10967.5 Ų67.551%0.50936%0.355SS..  trans-62.2140.6172.5-173.6173.4-17200110.2H82 L83E64-H82 WeakPolarHBondContact O-CA 3.42Å; E64-H82 PolarHBondContact O-ND1 3.44Å; E64-L83 HydrophobicContact CB-CB 3.94Å; E64-L83 HydrophobicContact CG-CB 4.21Å; E64-L83 PolarHBondContact O-N 2.96Å; E64-L83 WeakPolarHBondContact OE2-CD2 3.28Å
65I74.5Confident68.1Low4 Ų463.8 Ų63.82%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-118.7131.6-174.2-67.5154.5000109.3Y59 V67 I80 V81 H82 F102 T103Y59-I65 HydrophobicContact CE2-CD1 3.51Å; Y59-I65 HydrophobicContact CE2-CG1 4.2Å; Y59-I65 VanDerWaalsContact OH-CD1 3.28Å; Y59-I65 WeakPolarHBondContact OH-CD1 3.22Å; I65-V67 HydrophobicContact CG2-CG2 4.16Å; I65-I80 HydrophobicContact CG1-CG2 4.49Å; I65-I80 HydrophobicContact CG2-CG2 3.7Å; I65-V81 CarbonylContact C-O 3.48Å; I65-V81 WeakPolarHBondContact CA-O 3.37Å; I65-H82 VanDerWaalsContact CG1-CE1 3.5Å; I65-H82 WeakPolarHBondContact CG1-CE1 3.28Å; I65-F102 HydrophobicContact CB-CB 4.29Å; I65-F102 HydrophobicContact CG2-CB 4.23Å; I65-F102 VanDerWaalsContact O-CA 3.25Å; I65-F102 WeakPolarHBondContact O-CA 3.32Å; I65-F102 VanDerWaalsContact O-CB 3.27Å; I65-F102 WeakPolarHBondContact O-CB 3.35Å; I65-T103 PolarHBondContact O-N 3.46Å; I65-T103 VanDerWaalsContact O-N 3.08Å
66I73.3Confident68.2Low27 Ų2766 Ų6614%0.13836%0.355CS..EExtended strand (participates in β ladder)trans-100.9134.4160.9-65.8173.6000107.6I80 V81 L83 T103 L105I66-I80 CarbonylContact O-C 3.54Å; I66-I80 WeakPolarHBondContact O-CA 3.18Å; I66-V81 HydrophobicContact CB-CB 4.2Å; I66-V81 PolarHBondContact N-O 3.44Å; I66-V81 PolarHBondContact O-N 3.15Å; I66-L83 HydrophobicContact CD1-CD1 3.29Å; I66-L83 HydrophobicContact CG1-CD1 3.99Å; I66-T103 CarbonylContact C-O 3.55Å; I66-T103 VanDerWaalsContact CA-O 3.26Å; I66-T103 WeakPolarHBondContact CA-O 3.47Å; I66-L105 HydrophobicContact CD1-CD1 4.48Å; I66-L105 HydrophobicContact CG2-CB 4.28Å; I66-L105 HydrophobicContact CG2-CD1 3.55Å; I66-L105 HydrophobicContact CG2-CG 3.65Å
67V73.1Confident68.1Low3 Ų364 Ų642%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-103.8112.4166.6175.20000107.1I65 T78 V79 I80 L92 I97 F102 T103 L104 L105I65-V67 HydrophobicContact CG2-CG2 4.16Å; V67-T78 HydrophobicContact CG1-CG2 3.7Å; V67-V79 CarbonylContact C-O 3.52Å; V67-I80 HydrophobicContact CG2-CG1 4.37Å; V67-L92 HydrophobicContact CB-CD1 4.26Å; V67-L92 HydrophobicContact CG1-CD1 3.3Å; V67-L92 HydrophobicContact CG2-CD1 3.92Å; V67-I97 HydrophobicContact CG2-CG2 4.05Å; V67-F102 HydrophobicContact CB-CD2 3.77Å; V67-F102 HydrophobicContact CB-CE2 3.94Å; V67-F102 HydrophobicContact CG2-CB 4.45Å; V67-F102 HydrophobicContact CG2-CD2 3.45Å; V67-F102 VanDerWaalsContact CG2-CD2 3.45Å; V67-F102 HydrophobicContact CG2-CE2 3.81Å; V67-F102 HydrophobicContact CG2-CG 4.02Å; V67-T103 PolarHBondContact N-O 3.2Å; V67-L104 HydrophobicContact CB-CD1 3.98Å; V67-L104 HydrophobicContact CG1-CD1 3.74Å; V67-L104 CarbonylContact O-C 3.52Å; V67-L104 WeakPolarHBondContact O-CA 3.49Å; V67-L105 PolarHBondContact O-N 2.87Å
68A69.8Low68.1Low10 Ų1064.1 Ų64.18%0.08336%0.356CS..EExtended strand (participates in β ladder)trans-92.9114.7170.800000108.6T78 V79 L105A68-T78 CarbonylContact O-C 3.1Å; A68-T78 VanDerWaalsContact O-CA 3.28Å; A68-T78 WeakPolarHBondContact O-CA 3.17Å; A68-V79 PolarHBondContact N-O 3.02Å; A68-V79 PolarHBondContact O-N 3.24Å; A68-L105 CarbonylContact C-O 3.52Å; A68-L105 VanDerWaalsContact CA-O 3.28Å; A68-L105 WeakPolarHBondContact CA-O 3.5Å; A68-L105 HydrophobicContact CB-CB 4.47Å
69A69.5Low68.1Low7 Ų757 Ų576%0.05833%0.325CS..EExtended strand (participates in β ladder)trans-109.6133.1177.200000110.2G77 T78 L104 L105 T106 I114A69-G77 WeakPolarHBondContact CA-O 3.32Å; A69-T78 HydrophobicContact CB-CG2 3.29Å; A69-L104 HydrophobicContact CB-CD1 4.18Å; A69-L105 PolarHBondContact N-O 2.86Å; A69-T106 WeakPolarHBondContact O-CA 3.36Å; A69-I114 HydrophobicContact CB-CD1 3.56Å
70D69.3Low68Low98 Ų9854.4 Ų54.452%0.52432%0.315SS..EExtended strand (participates in β ladder)trans-129.9144.9170.1-170.317.8000109.7V76 G77 S110D70-V76 CarbonylContact O-C 3.52Å; D70-V76 WeakPolarHBondContact O-CA 3.32Å; D70-G77 PolarHBondContact N-O 3.43Å; D70-G77 PolarHBondContact O-N 3.06Å; D70-G77 VanDerWaalsContact O-O 3.09Å; D70-S110 VanDerWaalsContact C-OG 3.31Å; D70-S110 WeakPolarHBondContact CA-OG 3.49Å
71S67.2Low67.8Low11 Ų1153.1 Ų53.18%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-128.2123.6-175.665.30000111.2K109 S110S71-K109 VanDerWaalsContact OG-C 3.26Å; S71-K109 VanDerWaalsContact OG-CB 3.27Å; S71-K109 WeakPolarHBondContact OG-CB 3.43Å; S71-S110 WeakPolarHBondContact CB-OG 3.48Å; S71-S110 PolarHBondContact N-OG 3.31Å; S71-S110 VanDerWaalsContact OG-CA 3.29Å; S71-S110 WeakPolarHBondContact OG-CA 3.45Å; S71-S110 WeakPolarHBondContact OG-CB 3.42Å; S71-S110 PolarHBondContact OG-N 3.42Å; S71-S110 PolarHBondContact OG-OG 3.31Å
72S65.6Low67.5Low71 Ų7150.4 Ų50.450%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-95.5171.3166.872.90000109.9H74 G75S72-H74 PolarHBondContact O-N 3.42Å; S72-H74 PolarHBondContact OG-N 3.05Å; S72-H74 VanDerWaalsContact OG-N 3.16Å; S72-G75 PolarHBondContact N-O 3.5Å; S72-G75 PolarHBondContact O-N 3.07Å; S72-G75 PolarHBondContact OG-N 2.96Å; S72-G75 PolarHBondContact OG-O 2.85Å
73N53.8Low66.9Low145 Ų14547.9 Ų47.978%0.77527%0.272SS*.THydrogen-bonded Turntrans-61.1-14.3171-64.5-16.4000113.2
74H56.7Low66.2Low162 Ų16253.8 Ų53.875%0.7530%0.298SS*.THydrogen-bonded Turntrans-102.3-19.3-176.3-56.596.9000113.4S72 Q125S72-H74 PolarHBondContact O-N 3.42Å; S72-H74 PolarHBondContact OG-N 3.05Å; S72-H74 VanDerWaalsContact OG-N 3.16Å; H74-Q125 PolarHBondContact O-NE2 3.28Å
75G54.8Low65.2Low26 Ų2649.8 Ų49.827%0.26828%0.282SS..EExtended strand (participates in β ladder)trans170.4167.5-176.500000113.7S72S72-G75 PolarHBondContact N-O 3.5Å; S72-G75 PolarHBondContact O-N 3.07Å; S72-G75 PolarHBondContact OG-N 2.96Å; S72-G75 PolarHBondContact OG-O 2.85Å
76V61.6Low64.2Low58 Ų5859.9 Ų59.935%0.35232%0.32SS..EExtended strand (participates in β ladder)trans-103.5122.3175.9-1740000108.8D70 V113D70-V76 CarbonylContact O-C 3.52Å; D70-V76 WeakPolarHBondContact O-CA 3.32Å; V76-V113 HydrophobicContact CG2-CB 3.85Å; V76-V113 HydrophobicContact CG2-CG1 3.44Å; V76-V113 VanDerWaalsContact CG2-CG1 3.44Å; V76-V113 HydrophobicContact CG2-CG2 4.19Å
77G63.6Low63.2Low44 Ų4462.9 Ų62.945%0.45433%0.332SS..EExtended strand (participates in β ladder)trans-94.6146167.900000110.1A69 D70A69-G77 WeakPolarHBondContact CA-O 3.32Å; D70-G77 PolarHBondContact N-O 3.43Å; D70-G77 PolarHBondContact O-N 3.06Å; D70-G77 VanDerWaalsContact O-O 3.09Å
78T65.1Low62.1Low35 Ų3563 Ų6322%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-139139.5172.820.90000110.9V67 A68 A69 L92V67-T78 HydrophobicContact CG1-CG2 3.7Å; A68-T78 CarbonylContact O-C 3.1Å; A68-T78 VanDerWaalsContact O-CA 3.28Å; A68-T78 WeakPolarHBondContact O-CA 3.17Å; A69-T78 HydrophobicContact CB-CG2 3.29Å; T78-L92 HydrophobicContact CG2-CD1 3.91Å; T78-L92 HydrophobicContact CG2-CD2 4.43Å; T78-L92 WeakPolarHBondContact OG1-CB 3.33Å
79V69.8Low61.2Low24 Ų2463.5 Ų63.515%0.14533%0.334CS..EExtended strand (participates in β ladder)trans-124.7129.8179.5179.50000107.5V67 A68 V81 F88 L89V67-V79 CarbonylContact C-O 3.52Å; A68-V79 PolarHBondContact N-O 3.02Å; A68-V79 PolarHBondContact O-N 3.24Å; V79-V81 HydrophobicContact CG1-CG2 4.21Å; V79-F88 HydrophobicContact CG1-CB 4.1Å; V79-F88 HydrophobicContact CG1-CD1 3.97Å; V79-L89 CarbonylContact C-O 3.56Å; V79-L89 WeakPolarHBondContact CG1-O 3.28Å
80I68.4Low60.2Low0 Ų066.8 Ų66.80%036%0.356CS..EExtended strand (participates in β ladder)trans-86.4138.1172.1-71.9171.9000107.2Y59 I65 I66 V67 L89 L92 M96 I97Y59-I80 HydrophobicContact CD2-CG2 4.33Å; Y59-I80 HydrophobicContact CE2-CG2 4.35Å; I65-I80 HydrophobicContact CG1-CG2 4.49Å; I65-I80 HydrophobicContact CG2-CG2 3.7Å; I66-I80 CarbonylContact O-C 3.54Å; I66-I80 WeakPolarHBondContact O-CA 3.18Å; V67-I80 HydrophobicContact CG2-CG1 4.37Å; I80-L89 HydrophobicContact CB-CB 3.99Å; I80-L89 HydrophobicContact CG2-CB 4.16Å; I80-L89 HydrophobicContact CG2-CD1 4.1Å; I80-L89 PolarHBondContact N-O 3.05Å; I80-L89 CarbonylContact O-C 3.6Å; I80-L89 WeakPolarHBondContact O-CA 2.94Å; I80-L89 VanDerWaalsContact O-CB 3.25Å; I80-L89 WeakPolarHBondContact O-CB 3.41Å; I80-L89 PolarHBondContact O-N 2.94Å; I80-L92 HydrophobicContact CD1-CD1 4.33Å; I80-L92 HydrophobicContact CG1-CD1 3.99Å; I80-M96 HydrophobicContact CD1-CB 4.34Å; I80-M96 HydrophobicContact CD1-CE 4.02Å; I80-I97 HydrophobicContact CD1-CG2 3.91Å; I80-I97 HydrophobicContact CG1-CG2 4.41Å
81V68.3Low59.3Low15 Ų1564.3 Ų64.39%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-133.5131.7178.7-167.50000107.7I65 I66 V79 F88I65-V81 CarbonylContact C-O 3.48Å; I65-V81 WeakPolarHBondContact CA-O 3.37Å; I66-V81 HydrophobicContact CB-CB 4.2Å; I66-V81 PolarHBondContact N-O 3.44Å; I66-V81 PolarHBondContact O-N 3.15Å; V79-V81 HydrophobicContact CG1-CG2 4.21Å; V81-F88 HydrophobicContact CB-CD1 4.38Å; V81-F88 HydrophobicContact CG1-CD1 4.07Å; V81-F88 HydrophobicContact CG1-CE1 4.22Å; V81-F88 HydrophobicContact CG2-CD1 3.48Å; V81-F88 VanDerWaalsContact CG2-CD1 3.48Å; V81-F88 HydrophobicContact CG2-CE1 3.85Å
82H68.3Low58.6Low2 Ų266.6 Ų66.61%0.00936%0.36CS..EExtended strand (participates in β ladder)trans-87.2124.6173.7-77.8-60.1000110.3Y59 D60 K63 E64 I65 K84 S85Y59-H82 AromaticContact CD2-CE1 3.77Å; Y59-H82 AromaticContact CD2-NE2 3.39Å; Y59-H82 WeakPolarHBondContact CD2-NE2 3.45Å; Y59-H82 AromaticContact CE2-CE1 3.84Å; Y59-H82 AromaticContact CE2-NE2 3.95Å; D60-H82 PolarHBondContact N-NE2 3.33Å; D60-H82 PolarHBondContact O-CE1 3.14Å; K63-H82 HydrophobicContact CB-CB 4.33Å; K63-H82 WeakPolarHBondContact CB-ND1 3.3Å; K63-H82 HydrophobicContact CD-CB 4.45Å; E64-H82 WeakPolarHBondContact O-CA 3.42Å; E64-H82 PolarHBondContact O-ND1 3.44Å; I65-H82 VanDerWaalsContact CG1-CE1 3.5Å; I65-H82 WeakPolarHBondContact CG1-CE1 3.28Å; H82-K84 PolarHBondContact O-N 3.26Å; H82-S85 PolarHBondContact O-N 2.86Å; H82-S85 VanDerWaalsContact O-N 3.11Å
83L63.7Low58.1Low71 Ų7167.4 Ų67.437%0.37236%0.355SS..THydrogen-bonded Turntrans-61.4124.3172-147.682000107.6E64 I66E64-L83 HydrophobicContact CB-CB 3.94Å; E64-L83 HydrophobicContact CG-CB 4.21Å; E64-L83 PolarHBondContact O-N 2.96Å; E64-L83 WeakPolarHBondContact OE2-CD2 3.28Å; I66-L83 HydrophobicContact CD1-CD1 3.29Å; I66-L83 HydrophobicContact CG1-CD1 3.99Å
84K59Low58.2Low208 Ų20868.4 Ų68.490%0.90435%0.349SS*.THydrogen-bonded Turntrans86.5-8.8-174.8-51176179.2178.50117.8H82H82-K84 PolarHBondContact O-N 3.26Å
85S53.8Low58.1Low25 Ų2571.4 Ų71.418%0.17535%0.354CS..  trans-91.8124.9162.5-77.60000107.7H82 F87H82-S85 PolarHBondContact O-N 2.86Å; H82-S85 VanDerWaalsContact O-N 3.11Å; S85-F87 PolarHBondContact O-N 3.33Å
86R53.8Low58.6Low215 Ų21572.5 Ų72.581%0.81135%0.353SS*.SBendtrans-64.916173.2-72.7-168.6177.4179.3-0.7113.7
87F52.5Low58.9Low90 Ų9070.7 Ų70.740%0.39534%0.341SS..  trans-136.2136.3-161.3-61.7-58.7000109.6L54 T57 S85L54-F87 WeakPolarHBondContact O-CD1 3.28Å; L54-F87 WeakPolarHBondContact O-CE1 3.27Å; T57-F87 HydrophobicContact CG2-CB 4.1Å; S85-F87 PolarHBondContact O-N 3.33Å
88F50Low59.1Low7 Ų774.3 Ų74.33%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-88.5169.6-175.2-65.3-94.5000111.6Y20 F23 V24 L55 L56 T57 V79 V81Y20-F88 HydrophobicContact CD1-CD1 4.39Å; Y20-F88 HydrophobicContact CD1-CD2 4.32Å; Y20-F88 AromaticContact CD1-CE1 3.93Å; Y20-F88 HydrophobicContact CD1-CE1 3.93Å; Y20-F88 AromaticContact CD1-CE2 3.8Å; Y20-F88 HydrophobicContact CD1-CE2 3.8Å; Y20-F88 AromaticContact CD1-CZ 3.58Å; Y20-F88 HydrophobicContact CD1-CZ 3.58Å; Y20-F88 AromaticContact CE1-CD1 3.79Å; Y20-F88 HydrophobicContact CE1-CD1 3.79Å; Y20-F88 HydrophobicContact CE1-CD2 4.36Å; Y20-F88 AromaticContact CE1-CE1 3.6Å; Y20-F88 HydrophobicContact CE1-CE1 3.6Å; Y20-F88 HydrophobicContact CE1-CE2 4.16Å; Y20-F88 HydrophobicContact CE1-CG 4.17Å; Y20-F88 AromaticContact CE1-CZ 3.77Å; Y20-F88 HydrophobicContact CE1-CZ 3.77Å; F23-F88 HydrophobicContact CB-CE2 3.32Å; F23-F88 HydrophobicContact CB-CZ 3.36Å; F23-F88 HydrophobicContact CD1-CE2 4.45Å; F23-F88 AromaticContact CD1-CZ 3.83Å; F23-F88 HydrophobicContact CD1-CZ 3.83Å; F23-F88 HydrophobicContact CD2-CE1 4.39Å; F23-F88 HydrophobicContact CD2-CE2 4.32Å; F23-F88 AromaticContact CD2-CZ 3.49Å; F23-F88 HydrophobicContact CD2-CZ 3.49Å; F23-F88 VanDerWaalsContact CD2-CZ 3.49Å; F23-F88 HydrophobicContact CE1-CZ 4.44Å; F23-F88 HydrophobicContact CE2-CZ 4.13Å; F23-F88 HydrophobicContact CG-CE1 4.35Å; F23-F88 AromaticContact CG-CE2 3.84Å; F23-F88 HydrophobicContact CG-CE2 3.84Å; F23-F88 AromaticContact CG-CZ 3.3Å; F23-F88 HydrophobicContact CG-CZ 3.3Å; V24-F88 HydrophobicContact CG2-CE2 4.21Å; L55-F88 HydrophobicContact CD2-CD2 4.49Å; L55-F88 CarbonylContact O-C 3.58Å; L55-F88 WeakPolarHBondContact O-CA 3.31Å; L55-F88 VanDerWaalsContact O-CB 3.32Å; L55-F88 WeakPolarHBondContact O-CB 3.36Å; L55-F88 PolarHBondContact O-N 3.32Å; L56-F88 VanDerWaalsContact CA-O 3.32Å; L56-F88 WeakPolarHBondContact CA-O 3.35Å; T57-F88 PolarHBondContact N-O 3.25Å; T57-F88 VanDerWaalsContact N-O 3.07Å; V79-F88 HydrophobicContact CG1-CB 4.1Å; V79-F88 HydrophobicContact CG1-CD1 3.97Å; V81-F88 HydrophobicContact CB-CD1 4.38Å; V81-F88 HydrophobicContact CG1-CD1 4.07Å; V81-F88 HydrophobicContact CG1-CE1 4.22Å; V81-F88 HydrophobicContact CG2-CD1 3.48Å; V81-F88 VanDerWaalsContact CG2-CD1 3.48Å; V81-F88 HydrophobicContact CG2-CE1 3.85Å
89L49.4Very low59.4Low20 Ų2076.4 Ų76.411%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-132.1106.5168.4-87.5159.5000107.1T57 Y59 V79 I80T57-L89 HydrophobicContact CG2-CD1 4.14Å; T57-L89 HydrophobicContact CG2-CG 4.07Å; T57-L89 WeakPolarHBondContact O-CD2 3.33Å; T57-L89 WeakPolarHBondContact O-CG 3.47Å; Y59-L89 HydrophobicContact CD2-CD1 3.9Å; Y59-L89 HydrophobicContact CG-CD1 4.39Å; V79-L89 CarbonylContact C-O 3.56Å; V79-L89 WeakPolarHBondContact CG1-O 3.28Å; I80-L89 HydrophobicContact CB-CB 3.99Å; I80-L89 HydrophobicContact CG2-CB 4.16Å; I80-L89 HydrophobicContact CG2-CD1 4.1Å; I80-L89 PolarHBondContact N-O 3.05Å; I80-L89 CarbonylContact O-C 3.6Å; I80-L89 WeakPolarHBondContact O-CA 2.94Å; I80-L89 VanDerWaalsContact O-CB 3.25Å; I80-L89 WeakPolarHBondContact O-CB 3.41Å; I80-L89 PolarHBondContact O-N 2.94Å
90S48.6Very low59.4Low76 Ų7680.2 Ų80.253%0.53139%0.386SS..EExtended strand (participates in β ladder)trans-74.4144.3166.861.40000109.1L56L56-S90 WeakPolarHBondContact CD2-OG 3.29Å
91A51.4Low59.7Low45 Ų4590.1 Ų90.137%0.37243%0.429SS..  trans96.3104.7-17900000116.1F93A91-F93 PolarHBondContact O-N 3.16Å
92L52Low60Low60 Ų6093.3 Ų93.331%0.31444%0.442SS..  trans-8698.5170.3-160.9107.4000110.5V67 T78 I80 I97V67-L92 HydrophobicContact CB-CD1 4.26Å; V67-L92 HydrophobicContact CG1-CD1 3.3Å; V67-L92 HydrophobicContact CG2-CD1 3.92Å; T78-L92 HydrophobicContact CG2-CD1 3.91Å; T78-L92 HydrophobicContact CG2-CD2 4.43Å; T78-L92 WeakPolarHBondContact OG1-CB 3.33Å; I80-L92 HydrophobicContact CD1-CD1 4.33Å; I80-L92 HydrophobicContact CG1-CD1 3.99Å; L92-I97 HydrophobicContact CD1-CD1 4.18Å; L92-I97 HydrophobicContact CD2-CD1 4.1Å; L92-I97 HydrophobicContact CG-CD1 4.28Å
93F56.4Low60.1Low87 Ų8796.3 Ų96.338%0.38246%0.46SS..  trans-87.8123.2160.7-90.7-98.3000108.9A91 R95 M96 R147 S148A91-F93 PolarHBondContact O-N 3.16Å; F93-R95 PolarHBondContact O-N 3.18Å; F93-M96 HydrophobicContact CB-CG 3.88Å; F93-M96 WeakPolarHBondContact O-CB 3.5Å; F93-M96 PolarHBondContact O-N 3.4Å; F93-R147 WeakPolarHBondContact CE1-O 3.34Å; F93-R147 WeakPolarHBondContact CZ-O 3.32Å; F93-S148 WeakPolarHBondContact CE2-O 3.19Å
94Y54.7Low60.4Low166 Ų16695 Ų9565%0.65145%0.454SS*.Hα-helixtrans-46-38.7170.6178.1-97.3000111.9M96 I97 H98Y94-M96 PolarHBondContact O-N 3.2Å; Y94-I97 PolarHBondContact O-N 2.97Å; Y94-H98 HydrophobicContact CD1-CB 4.26Å; Y94-H98 HydrophobicContact CE1-CB 4.04Å; Y94-H98 AromaticContact CE1-CD2 3.53Å; Y94-H98 AromaticContact CE1-CG 3.87Å; Y94-H98 AromaticContact CZ-CD2 3.3Å; Y94-H98 VanDerWaalsContact O-CB 3.26Å; Y94-H98 WeakPolarHBondContact O-CB 3.49Å; Y94-H98 PolarHBondContact O-N 3.35Å; Y94-H98 PolarHBondContact OH-CD2 2.87Å; Y94-H98 PolarHBondContact OH-NE2 2.94Å
95R55.8Low60.8Low225 Ų22588.9 Ų88.985%0.84943%0.43SS*.Hα-helixtrans-57.9-27.6177.5-175.6172.3168.9165.6-3.1114.1F93F93-R95 PolarHBondContact O-N 3.18Å
96M63.6Low61.4Low50 Ų5089.6 Ų89.625%0.24643%0.433CS..Hα-helixtrans-81-39-178.8-61.4-123.1-67.500112.2Y59 I80 F93 Y94 R100Y59-M96 HydrophobicContact CD1-CE 3.85Å; Y59-M96 HydrophobicContact CD1-SD 3.37Å; Y59-M96 WeakPolarHBondContact CD1-SD 3.42Å; Y59-M96 HydrophobicContact CD2-CE 3.34Å; Y59-M96 HydrophobicContact CD2-SD 4.02Å; Y59-M96 HydrophobicContact CE1-CB 4.26Å; Y59-M96 HydrophobicContact CE1-CE 4.27Å; Y59-M96 HydrophobicContact CE1-CG 4.49Å; Y59-M96 HydrophobicContact CE1-SD 3.64Å; Y59-M96 HydrophobicContact CE2-CB 4.29Å; Y59-M96 HydrophobicContact CE2-CE 3.82Å; Y59-M96 HydrophobicContact CE2-SD 4.26Å; Y59-M96 HydrophobicContact CG-CE 3.34Å; Y59-M96 HydrophobicContact CG-SD 3.56Å; Y59-M96 VanDerWaalsContact CG-SD 3.56Å; Y59-M96 PolarHBondContact OH-O 3.18Å; I80-M96 HydrophobicContact CD1-CB 4.34Å; I80-M96 HydrophobicContact CD1-CE 4.02Å; F93-M96 HydrophobicContact CB-CG 3.88Å; F93-M96 WeakPolarHBondContact O-CB 3.5Å; F93-M96 PolarHBondContact O-N 3.4Å; Y94-M96 PolarHBondContact O-N 3.2Å; M96-R100 WeakPolarHBondContact O-CD 3.4Å
97I67.8Low62Low20 Ų2082.4 Ų82.410%0.10341%0.411CS..Hα-helixtrans-96.1-16.4-174.562168.3000113.9V67 I80 L92 Y94 G99 R100 F102V67-I97 HydrophobicContact CG2-CG2 4.05Å; I80-I97 HydrophobicContact CD1-CG2 3.91Å; I80-I97 HydrophobicContact CG1-CG2 4.41Å; L92-I97 HydrophobicContact CD1-CD1 4.18Å; L92-I97 HydrophobicContact CD2-CD1 4.1Å; L92-I97 HydrophobicContact CG-CD1 4.28Å; Y94-I97 PolarHBondContact O-N 2.97Å; I97-G99 PolarHBondContact O-N 3.13Å; I97-R100 WeakPolarHBondContact O-CB 3.27Å; I97-R100 PolarHBondContact O-N 3.43Å; I97-R100 VanDerWaalsContact O-N 3.08Å; I97-F102 HydrophobicContact CB-CD1 4.36Å; I97-F102 HydrophobicContact CB-CE1 4.43Å; I97-F102 HydrophobicContact CD1-CE1 4.23Å; I97-F102 HydrophobicContact CD1-CZ 4.23Å
98H67.7Low62.3Low119 Ų11985.2 Ų85.255%0.55143%0.425SS*.THydrogen-bonded Turntrans-58.2129.2-178.1-177.1-97.5000111.9Y94 R100Y94-H98 HydrophobicContact CD1-CB 4.26Å; Y94-H98 HydrophobicContact CE1-CB 4.04Å; Y94-H98 AromaticContact CE1-CD2 3.53Å; Y94-H98 AromaticContact CE1-CG 3.87Å; Y94-H98 AromaticContact CZ-CD2 3.3Å; Y94-H98 VanDerWaalsContact O-CB 3.26Å; Y94-H98 WeakPolarHBondContact O-CB 3.49Å; Y94-H98 PolarHBondContact O-N 3.35Å; Y94-H98 PolarHBondContact OH-CD2 2.87Å; Y94-H98 PolarHBondContact OH-NE2 2.94Å; H98-R100 VanDerWaalsContact C-N 3.26Å; H98-R100 PolarHBondContact O-N 3.32Å
99G71.9Confident62.8Low79 Ų7990.5 Ų90.581%0.81445%0.448SS*.THydrogen-bonded Turntrans77.53.1-178.900000115.2I97I97-G99 PolarHBondContact O-N 3.13Å
100R70.2Confident63.2Low104 Ų10489.6 Ų89.639%0.39244%0.443SS..  trans-105.3149.5179-65.5178175-88.3-5.1111.6P61 M96 I97 H98P61-R100 VanDerWaalsContact O-CZ 3.27Å; P61-R100 PolarHBondContact O-NH1 2.93Å; P61-R100 PolarHBondContact O-NH2 2.74Å; M96-R100 WeakPolarHBondContact O-CD 3.4Å; I97-R100 WeakPolarHBondContact O-CB 3.27Å; I97-R100 PolarHBondContact O-N 3.43Å; I97-R100 VanDerWaalsContact O-N 3.08Å; H98-R100 VanDerWaalsContact C-N 3.26Å; H98-R100 PolarHBondContact O-N 3.32Å
101K74Confident63.5Low209 Ų20989.3 Ų89.391%0.90944%0.436SS*.  trans-78.2129.3164.2-66.9-176.6177.7-179.30108.2
102F75.5Confident63.7Low82 Ų8290.3 Ų90.336%0.3644%0.437SS..  trans-143.5156.8175.365.3-89.4000109.2I65 V67 I97 L104I65-F102 HydrophobicContact CB-CB 4.29Å; I65-F102 HydrophobicContact CG2-CB 4.23Å; I65-F102 VanDerWaalsContact O-CA 3.25Å; I65-F102 WeakPolarHBondContact O-CA 3.32Å; I65-F102 VanDerWaalsContact O-CB 3.27Å; I65-F102 WeakPolarHBondContact O-CB 3.35Å; V67-F102 HydrophobicContact CB-CD2 3.77Å; V67-F102 HydrophobicContact CB-CE2 3.94Å; V67-F102 HydrophobicContact CG2-CB 4.45Å; V67-F102 HydrophobicContact CG2-CD2 3.45Å; V67-F102 VanDerWaalsContact CG2-CD2 3.45Å; V67-F102 HydrophobicContact CG2-CE2 3.81Å; V67-F102 HydrophobicContact CG2-CG 4.02Å; I97-F102 HydrophobicContact CB-CD1 4.36Å; I97-F102 HydrophobicContact CB-CE1 4.43Å; I97-F102 HydrophobicContact CD1-CE1 4.23Å; I97-F102 HydrophobicContact CD1-CZ 4.23Å; F102-L104 HydrophobicContact CD2-CB 4.43Å; F102-L104 HydrophobicContact CE2-CB 4.01Å; F102-L104 HydrophobicContact CE2-CD1 4.26Å
103T70.8Confident64Low65 Ų6589.9 Ų89.940%0.39944%0.436SS..EExtended strand (participates in β ladder)trans-95.1119.1174.6-62.20000108.5I65 I66 V67 L105I65-T103 PolarHBondContact O-N 3.46Å; I65-T103 VanDerWaalsContact O-N 3.08Å; I66-T103 CarbonylContact C-O 3.55Å; I66-T103 VanDerWaalsContact CA-O 3.26Å; I66-T103 WeakPolarHBondContact CA-O 3.47Å; V67-T103 PolarHBondContact N-O 3.2Å; T103-L105 HydrophobicContact CG2-CD2 4.37Å
104L69.6Low64Low44 Ų4489 Ų8923%0.2344%0.435CS..EExtended strand (participates in β ladder)trans-88.1115.5176.1-176.371.2000109.5V67 A69 F102 T106 I114 F115V67-L104 HydrophobicContact CB-CD1 3.98Å; V67-L104 HydrophobicContact CG1-CD1 3.74Å; V67-L104 CarbonylContact O-C 3.52Å; V67-L104 WeakPolarHBondContact O-CA 3.49Å; A69-L104 HydrophobicContact CB-CD1 4.18Å; F102-L104 HydrophobicContact CD2-CB 4.43Å; F102-L104 HydrophobicContact CE2-CB 4.01Å; F102-L104 HydrophobicContact CE2-CD1 4.26Å; L104-T106 HydrophobicContact CD2-CG2 3.71Å; L104-T106 HydrophobicContact CG-CG2 3.76Å; L104-I114 HydrophobicContact CD1-CD1 4.26Å; L104-I114 HydrophobicContact CD2-CD1 4.19Å; L104-I114 HydrophobicContact CD2-CG2 4.31Å; L104-F115 HydrophobicContact CD2-CE2 3.38Å; L104-F115 HydrophobicContact CD2-CZ 3.63Å
105L66.4Low64.2Low78 Ų7887.4 Ų87.441%0.40843%0.432SS..EExtended strand (participates in β ladder)trans-97.6118.2167.4-63.6-177.9000108I66 V67 A68 A69 T103I66-L105 HydrophobicContact CD1-CD1 4.48Å; I66-L105 HydrophobicContact CG2-CB 4.28Å; I66-L105 HydrophobicContact CG2-CD1 3.55Å; I66-L105 HydrophobicContact CG2-CG 3.65Å; V67-L105 PolarHBondContact O-N 2.87Å; A68-L105 CarbonylContact C-O 3.52Å; A68-L105 VanDerWaalsContact CA-O 3.28Å; A68-L105 WeakPolarHBondContact CA-O 3.5Å; A68-L105 HydrophobicContact CB-CB 4.47Å; A69-L105 PolarHBondContact N-O 2.86Å; T103-L105 HydrophobicContact CG2-CD2 4.37Å
106T67.5Low63.9Low40 Ų4078 Ų7825%0.24541%0.405CS..EExtended strand (participates in β ladder)trans-152.4148.9-174168.30000108.8A69 L104 S110 L111A69-T106 WeakPolarHBondContact O-CA 3.36Å; L104-T106 HydrophobicContact CD2-CG2 3.71Å; L104-T106 HydrophobicContact CG-CG2 3.76Å; T106-S110 WeakPolarHBondContact OG1-CB 3.41Å; T106-L111 HydrophobicContact CG2-CD1 4.37Å; T106-L111 HydrophobicContact CG2-CD2 3.47Å; T106-L111 VanDerWaalsContact CG2-CD2 3.47Å; T106-L111 HydrophobicContact CG2-CG 3.56Å; T106-L111 PolarHBondContact OG1-N 3.49Å
107D66.1Low63Low65 Ų6581.6 Ų81.635%0.34844%0.435SS..  trans-80.7176.9167.380.8-22.7000111.4K109 S110 L111D107-K109 VanDerWaalsContact C-N 3.3Å; D107-K109 PolarHBondContact O-N 2.97Å; D107-K109 PolarHBondContact OD1-N 2.97Å; D107-S110 PolarHBondContact O-N 3.17Å; D107-S110 WeakPolarHBondContact OD1-CB 3.2Å; D107-S110 PolarHBondContact OD1-N 3.47Å; D107-S110 PolarHBondContact OD1-OG 3.42Å; D107-L111 PolarHBondContact O-N 2.91Å
108H58.8Low61.8Low148 Ų14890 Ų9069%0.68547%0.471SS*.Hα-helixtrans-62.3-35179.9-179.2-77.4000112.6
109K60Low60.6Low119 Ų11992.7 Ų92.752%0.51748%0.481SS..Hα-helixtrans-67.9-42-179.5-77.1-176.3178.8177.30111.2S71 D107 V112 V113S71-K109 VanDerWaalsContact OG-C 3.26Å; S71-K109 VanDerWaalsContact OG-CB 3.27Å; S71-K109 WeakPolarHBondContact OG-CB 3.43Å; D107-K109 VanDerWaalsContact C-N 3.3Å; D107-K109 PolarHBondContact O-N 2.97Å; D107-K109 PolarHBondContact OD1-N 2.97Å; K109-V112 PolarHBondContact O-N 3.49Å; K109-V113 PolarHBondContact O-N 2.91Å
110S58.1Low59.3Low0 Ų091.4 Ų91.40%047%0.468CS..Hα-helixtrans-75.4-28.4-176.1-29.60000111.6D70 S71 T106 D107 V112 V113 I114D70-S110 VanDerWaalsContact C-OG 3.31Å; D70-S110 WeakPolarHBondContact CA-OG 3.49Å; S71-S110 WeakPolarHBondContact CB-OG 3.48Å; S71-S110 PolarHBondContact N-OG 3.31Å; S71-S110 VanDerWaalsContact OG-CA 3.29Å; S71-S110 WeakPolarHBondContact OG-CA 3.45Å; S71-S110 WeakPolarHBondContact OG-CB 3.42Å; S71-S110 PolarHBondContact OG-N 3.42Å; S71-S110 PolarHBondContact OG-OG 3.31Å; T106-S110 WeakPolarHBondContact OG1-CB 3.41Å; D107-S110 PolarHBondContact O-N 3.17Å; D107-S110 WeakPolarHBondContact OD1-CB 3.2Å; D107-S110 PolarHBondContact OD1-N 3.47Å; D107-S110 PolarHBondContact OD1-OG 3.42Å; S110-V112 VanDerWaalsContact C-N 3.29Å; S110-V112 PolarHBondContact O-N 3.22Å; S110-V113 PolarHBondContact O-N 3.15Å; S110-V113 VanDerWaalsContact O-N 3.14Å; S110-I114 WeakPolarHBondContact O-CB 3.43Å; S110-I114 WeakPolarHBondContact O-CG1 3.42Å; S110-I114 PolarHBondContact O-N 3.27Å
111L56Low58.4Low71 Ų7187.4 Ų87.437%0.37246%0.457SS..Hα-helixtrans-56.3-41.5169-79.4170.5000112.5T106 D107 V113 I114 F115 G116T106-L111 HydrophobicContact CG2-CD1 4.37Å; T106-L111 HydrophobicContact CG2-CD2 3.47Å; T106-L111 VanDerWaalsContact CG2-CD2 3.47Å; T106-L111 HydrophobicContact CG2-CG 3.56Å; T106-L111 PolarHBondContact OG1-N 3.49Å; D107-L111 PolarHBondContact O-N 2.91Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 3.38Å; L111-I114 PolarHBondContact O-N 2.96Å; L111-F115 HydrophobicContact CD2-CD2 3.53Å; L111-F115 HydrophobicContact CD2-CE2 3.64Å; L111-F115 WeakPolarHBondContact O-CA 3.34Å; L111-F115 WeakPolarHBondContact O-CB 3.28Å; L111-F115 PolarHBondContact O-N 3.3Å; L111-G116 PolarHBondContact O-N 3.24Å
112V55.5Low57.6Low65 Ų6579.9 Ų79.939%0.39443%0.429SS..Hα-helixtrans-68-35178.9177.60000111.2K109 S110 G116K109-V112 PolarHBondContact O-N 3.49Å; S110-V112 VanDerWaalsContact C-N 3.29Å; S110-V112 PolarHBondContact O-N 3.22Å; V112-G116 WeakPolarHBondContact O-CA 3.5Å; V112-G116 PolarHBondContact O-N 3.12Å
113V56.6Low57Low51 Ų5186.5 Ų86.531%0.30945%0.452SS..Hα-helixtrans-76.4-36.8177.8-174.10000111.7V76 K109 S110 L111V76-V113 HydrophobicContact CG2-CB 3.85Å; V76-V113 HydrophobicContact CG2-CG1 3.44Å; V76-V113 VanDerWaalsContact CG2-CG1 3.44Å; V76-V113 HydrophobicContact CG2-CG2 4.19Å; K109-V113 PolarHBondContact O-N 2.91Å; S110-V113 PolarHBondContact O-N 3.15Å; S110-V113 VanDerWaalsContact O-N 3.14Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 3.38Å
114I57.4Low56.9Low70 Ų7086.8 Ų86.836%0.35946%0.456SS..Hα-helixtrans-78.6-44.5-177.4-66.2167.9000111.5A69 L104 S110 L111A69-I114 HydrophobicContact CB-CD1 3.56Å; L104-I114 HydrophobicContact CD1-CD1 4.26Å; L104-I114 HydrophobicContact CD2-CD1 4.19Å; L104-I114 HydrophobicContact CD2-CG2 4.31Å; S110-I114 WeakPolarHBondContact O-CB 3.43Å; S110-I114 WeakPolarHBondContact O-CG1 3.42Å; S110-I114 PolarHBondContact O-N 3.27Å; L111-I114 PolarHBondContact O-N 2.96Å
115F59.1Low57.3Low132 Ų13286.2 Ų86.258%0.57945%0.453SS*.Hα-helixtrans-117.5-13-173.7-58.9-66.5000114.6L104 L111 S117L104-F115 HydrophobicContact CD2-CE2 3.38Å; L104-F115 HydrophobicContact CD2-CZ 3.63Å; L111-F115 HydrophobicContact CD2-CD2 3.53Å; L111-F115 HydrophobicContact CD2-CE2 3.64Å; L111-F115 WeakPolarHBondContact O-CA 3.34Å; L111-F115 WeakPolarHBondContact O-CB 3.28Å; L111-F115 PolarHBondContact O-N 3.3Å; F115-S117 PolarHBondContact O-N 3.25Å
116G49.6Very low58.1Low28 Ų2886.9 Ų86.929%0.28946%0.462SS..  trans-66.7120.3-176.400000111.8L111 V112 K118L111-G116 PolarHBondContact O-N 3.24Å; V112-G116 WeakPolarHBondContact O-CA 3.5Å; V112-G116 PolarHBondContact O-N 3.12Å; G116-K118 PolarHBondContact O-N 3.4Å
117S43.8Very low58.7Low124 Ų12488.2 Ų88.287%0.86748%0.476SS*.THydrogen-bonded Turntrans-67.70.3-168.8-48.20000116.6F115F115-S117 PolarHBondContact O-N 3.25Å
118K42.4Very low59.4Low198 Ų19886.7 Ų86.786%0.86147%0.468SS*.THydrogen-bonded Turntrans-146.53.8-176.4-72.7-163.9177.7-179.40117.7G116G116-K118 PolarHBondContact O-N 3.4Å
119K42.5Very low60.8Low175 Ų17580.1 Ų80.176%0.76144%0.438SS*.SBendtrans-128.749.2172.9-65.8-172-178.4179.30110.1
120G44.6Very low62.1Low52 Ų5282.2 Ų82.254%0.53645%0.447SS..  trans-58.1153.1177.900000111.7
121A52.3Low63.5Low20 Ų2088.2 Ų88.217%0.16548%0.475CS..SBendtrans0.6135.2172.300000117.1R123 W151 W152A121-R123 PolarHBondContact O-N 3.1Å; A121-R123 VanDerWaalsContact O-N 3.07Å; A121-W151 HydrophobicContact CB-CE3 4.46Å; A121-W151 HydrophobicContact CB-CZ3 3.98Å; A121-W152 HydrophobicContact CB-CB 4.28Å
122P56.1Low64.9Low50 Ų5085.6 Ų85.633%0.32546%0.461SS..  trans-46.4120-17517.9-30.8000111.7S124 Q125 W152P122-S124 VanDerWaalsContact C-N 3.27Å; P122-S124 PolarHBondContact O-N 3.3Å; P122-Q125 HydrophobicContact CB-CG 4.13Å; P122-Q125 HydrophobicContact CG-CG 4.24Å; P122-W152 HydrophobicContact CG-CB 4.39Å; P122-W152 VanDerWaalsContact O-CB 3.29Å; P122-W152 WeakPolarHBondContact O-CB 3.31Å
123R63.3Low66.6Low222 Ų22283.5 Ų83.584%0.83845%0.447SS*.SBendtrans-62.1-31-166.5-75.7-178.3178.2177.2-1.8114.4A121A121-R123 PolarHBondContact O-N 3.1Å; A121-R123 VanDerWaalsContact O-N 3.07Å
124S69.6Low68.1Low71 Ų7187.8 Ų87.850%0.49746%0.464SS..  trans-157.1136179.162.90000109P122 P126 E158P122-S124 VanDerWaalsContact C-N 3.27Å; P122-S124 PolarHBondContact O-N 3.3Å; S124-P126 VanDerWaalsContact C-CD 3.49Å; S124-P126 VanDerWaalsContact O-CD 3.32Å; S124-P126 WeakPolarHBondContact O-CD 3.35Å; S124-E158 WeakPolarHBondContact CA-OE2 3.4Å
125Q78.1Confident69.6Low32 Ų3288 Ų8815%0.1548%0.483CS..  trans-122.871.6-176-70.4-75.918.600110.8H74 P122 A127 I128 L129 W152 E158H74-Q125 PolarHBondContact O-NE2 3.28Å; P122-Q125 HydrophobicContact CB-CG 4.13Å; P122-Q125 HydrophobicContact CG-CG 4.24Å; Q125-A127 VanDerWaalsContact C-N 3.28Å; Q125-A127 PolarHBondContact O-N 3.43Å; Q125-I128 HydrophobicContact CB-CB 3.95Å; Q125-I128 HydrophobicContact CB-CD1 3.8Å; Q125-I128 HydrophobicContact CB-CG1 4Å; Q125-I128 HydrophobicContact CG-CD1 3.85Å; Q125-I128 PolarHBondContact O-N 3.03Å; Q125-I128 VanDerWaalsContact O-N 3.15Å; Q125-L129 WeakPolarHBondContact O-CG 3.5Å; Q125-L129 PolarHBondContact O-N 3.29Å; Q125-W152 HydrophobicContact CB-CD2 4.35Å; Q125-W152 HydrophobicContact CB-CE3 4.43Å; Q125-W152 HydrophobicContact CB-CH2 4.06Å; Q125-W152 HydrophobicContact CB-CZ2 3.93Å; Q125-W152 HydrophobicContact CB-CZ3 4.3Å; Q125-W152 HydrophobicContact CG-CD2 4.1Å; Q125-W152 HydrophobicContact CG-CE3 4.18Å; Q125-W152 HydrophobicContact CG-CZ3 4.48Å; Q125-E158 PolarHBondContact N-OE2 2.71Å
126P81.8Confident71.1Confident92 Ų9284.5 Ų84.560%0.59747%0.468SS*.Hα-helixtrans-62.2-34.6-173.324.6-34000112.8S124 L129 K130S124-P126 VanDerWaalsContact C-CD 3.49Å; S124-P126 VanDerWaalsContact O-CD 3.32Å; S124-P126 WeakPolarHBondContact O-CD 3.35Å; P126-L129 PolarHBondContact O-N 3.22Å; P126-K130 WeakPolarHBondContact O-CB 3.47Å; P126-K130 PolarHBondContact O-N 3.46Å
127A80.2Confident73Confident67 Ų6784.8 Ų84.855%0.55447%0.465SS*.Hα-helixtrans-64.8-43.6176.800000112Q125 K130 Q131Q125-A127 VanDerWaalsContact C-N 3.28Å; Q125-A127 PolarHBondContact O-N 3.43Å; A127-K130 PolarHBondContact O-N 2.98Å; A127-Q131 PolarHBondContact O-N 2.92Å; A127-Q131 VanDerWaalsContact O-N 3.13Å
128I81.2Confident75.2Confident34 Ų3479.8 Ų79.817%0.17443%0.433CS..Hα-helixtrans-68.9-41.5178.8-56.1179.7000110.1Q125 K130 Q131 L132 I150 W152Q125-I128 HydrophobicContact CB-CB 3.95Å; Q125-I128 HydrophobicContact CB-CD1 3.8Å; Q125-I128 HydrophobicContact CB-CG1 4Å; Q125-I128 HydrophobicContact CG-CD1 3.85Å; Q125-I128 PolarHBondContact O-N 3.03Å; Q125-I128 VanDerWaalsContact O-N 3.15Å; I128-K130 VanDerWaalsContact C-N 3.31Å; I128-K130 PolarHBondContact O-N 3.45Å; I128-Q131 WeakPolarHBondContact O-CB 3.35Å; I128-Q131 PolarHBondContact O-N 3.05Å; I128-Q131 VanDerWaalsContact O-N 3.12Å; I128-L132 HydrophobicContact CG2-CD1 3.99Å; I128-L132 HydrophobicContact CG2-CG 4.28Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 3.31Å; I128-I150 HydrophobicContact CD1-CD1 4.21Å; I128-I150 HydrophobicContact CD1-CG2 4.45Å; I128-I150 HydrophobicContact CG2-CD1 3.53Å; I128-W152 HydrophobicContact CB-CH2 4.46Å; I128-W152 HydrophobicContact CG2-CH2 4.12Å; I128-W152 HydrophobicContact CG2-CZ3 4.19Å
129L88.4Confident77.6Confident9 Ų972.7 Ų72.75%0.04740%0.404CS..Hα-helixtrans-59.5-42.4174.7-71.6168.1000111.8Q125 P126 Q131 L132 H133 W152 E158 I159 V162Q125-L129 WeakPolarHBondContact O-CG 3.5Å; Q125-L129 PolarHBondContact O-N 3.29Å; P126-L129 PolarHBondContact O-N 3.22Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 3.37Å; L129-L132 PolarHBondContact O-N 3.4Å; L129-H133 WeakPolarHBondContact O-CB 3.41Å; L129-H133 PolarHBondContact O-N 3.37Å; L129-W152 HydrophobicContact CD2-CH2 4.36Å; L129-W152 HydrophobicContact CD2-CZ2 4Å; L129-W152 HydrophobicContact CG-CZ2 4.1Å; L129-E158 HydrophobicContact CD1-CB 3.82Å; L129-E158 HydrophobicContact CD1-CG 4.44Å; L129-E158 WeakPolarHBondContact CD1-OE2 3.17Å; L129-E158 HydrophobicContact CD2-CB 4.27Å; L129-I159 HydrophobicContact CD2-CG1 3.64Å; L129-V162 HydrophobicContact CB-CG2 4.33Å; L129-V162 HydrophobicContact CD1-CG2 4.12Å
130K88.1Confident79.8Confident163 Ų16370.2 Ų70.271%0.70940%0.403SS*.Hα-helixtrans-61.1-37.7175.6-171.9177.3-180179.80111.8P126 A127 I128 Q134P126-K130 WeakPolarHBondContact O-CB 3.47Å; P126-K130 PolarHBondContact O-N 3.46Å; A127-K130 PolarHBondContact O-N 2.98Å; I128-K130 VanDerWaalsContact C-N 3.31Å; I128-K130 PolarHBondContact O-N 3.45Å; K130-Q134 PolarHBondContact O-N 3.12Å
131Q86.6Confident81.8Confident126 Ų12673.2 Ų73.259%0.58940%0.403SS*.Hα-helixtrans-70.9-47.3175.3-72.7-174.9-28.900112.4A127 I128 L129 H133 Q134A127-Q131 PolarHBondContact O-N 2.92Å; A127-Q131 VanDerWaalsContact O-N 3.13Å; I128-Q131 WeakPolarHBondContact O-CB 3.35Å; I128-Q131 PolarHBondContact O-N 3.05Å; I128-Q131 VanDerWaalsContact O-N 3.12Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 3.37Å; Q131-H133 PolarHBondContact O-N 2.98Å; Q131-Q134 VanDerWaalsContact O-CB 3.28Å; Q131-Q134 WeakPolarHBondContact O-CB 3.46Å; Q131-Q134 WeakPolarHBondContact O-CG 3.31Å; Q131-Q134 PolarHBondContact O-N 2.82Å
132L85.1Confident83.5Confident16 Ų1672.2 Ų72.28%0.08440%0.395CS..Hα-helixtrans-60-30.2176.5-73.4169.9000112.5I128 L129 Q134 P137 M142 I145 A146 W152I128-L132 HydrophobicContact CG2-CD1 3.99Å; I128-L132 HydrophobicContact CG2-CG 4.28Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 3.31Å; L129-L132 PolarHBondContact O-N 3.4Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-P137 WeakPolarHBondContact O-CG 3.31Å; L132-M142 HydrophobicContact CB-CE 3.74Å; L132-M142 WeakPolarHBondContact O-CG 3.25Å; L132-I145 HydrophobicContact CD2-CB 4.02Å; L132-I145 HydrophobicContact CD2-CG2 3.47Å; L132-I145 VanDerWaalsContact CD2-CG2 3.47Å; L132-A146 HydrophobicContact CD1-CB 3.79Å; L132-A146 HydrophobicContact CD2-CB 4.38Å; L132-W152 HydrophobicContact CD1-CH2 4.46Å
133H92Very high85.1Confident21 Ų2171.5 Ų71.510%0.09739%0.387CS..THydrogen-bonded Turntrans-84.6-4.3179.7-162.570000113.6L129 Q131 G135 H136 M142 V162 C166 C169L129-H133 WeakPolarHBondContact O-CB 3.41Å; L129-H133 PolarHBondContact O-N 3.37Å; Q131-H133 PolarHBondContact O-N 2.98Å; H133-G135 PolarHBondContact O-N 3.42Å; H133-H136 AromaticContact CD2-CE1 3.8Å; H133-H136 AromaticContact CD2-ND1 3.61Å; H133-H136 AromaticContact CE1-ND1 3.77Å; H133-H136 AromaticContact NE2-CE1 3.52Å; H133-H136 AromaticContact NE2-ND1 3.03Å; H133-H136 PolarHBondContact NE2-ND1 2.83Å; H133-H136 PolarHBondContact O-N 3.27Å; H133-M142 HydrophobicContact CB-CE 3.73Å; H133-M142 HydrophobicContact CB-SD 4.02Å; H133-M142 PolarHBondContact ND1-SD 3.5Å; H133-V162 HydrophobicContact CB-CG1 4.22Å; H133-C166 PolarHBondContact NE2-SG 3.14Å; H133-C169 PolarHBondContact CE1-SG 3.13Å
134Q88.1Confident85.9Confident142 Ų14263.5 Ų63.566%0.66437%0.368SS*.THydrogen-bonded Turntrans-57.5131174.1-71-178.8-100110K130 Q131 L132 H136 P137K130-Q134 PolarHBondContact O-N 3.12Å; Q131-Q134 VanDerWaalsContact O-CB 3.28Å; Q131-Q134 WeakPolarHBondContact O-CB 3.46Å; Q131-Q134 WeakPolarHBondContact O-CG 3.31Å; Q131-Q134 PolarHBondContact O-N 2.82Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; Q134-H136 VanDerWaalsContact C-N 3.29Å; Q134-H136 PolarHBondContact O-N 2.86Å; Q134-P137 WeakPolarHBondContact O-CD 3.48Å
135G89.4Confident86.3Confident73 Ų7363.8 Ų63.875%0.75336%0.363SS*.THydrogen-bonded Turntrans79.82.2-176.100000115.2H133 P137H133-G135 PolarHBondContact O-N 3.42Å; G135-P137 VanDerWaalsContact C-CD 3.5Å
136H90.6Very high86.3Confident60 Ų6062.2 Ų62.228%0.27836%0.356SS..  trans53.747.2177.6-58.2-73.8000115.4H133 Q134 G138 C166 K168H133-H136 AromaticContact CD2-CE1 3.8Å; H133-H136 AromaticContact CD2-ND1 3.61Å; H133-H136 AromaticContact CE1-ND1 3.77Å; H133-H136 AromaticContact NE2-CE1 3.52Å; H133-H136 AromaticContact NE2-ND1 3.03Å; H133-H136 PolarHBondContact NE2-ND1 2.83Å; H133-H136 PolarHBondContact O-N 3.27Å; Q134-H136 VanDerWaalsContact C-N 3.29Å; Q134-H136 PolarHBondContact O-N 2.86Å; H136-G138 PolarHBondContact O-N 3.5Å; H136-C166 VanDerWaalsContact CE1-SG 3.54Å; H136-C166 PolarHBondContact ND1-SG 3.36Å; H136-C166 VanDerWaalsContact ND1-SG 3.43Å; H136-K168 WeakPolarHBondContact NE2-CD 3.38Å
137P88.7Confident86.1Confident33 Ų3364.8 Ų64.821%0.21435%0.354CS..  trans-70-9.2-171.929.1-35.3000114.5L132 Q134 G135 Q141 M142L132-P137 WeakPolarHBondContact O-CG 3.31Å; Q134-P137 WeakPolarHBondContact O-CD 3.48Å; G135-P137 VanDerWaalsContact C-CD 3.5Å; P137-Q141 HydrophobicContact CB-CB 3.8Å; P137-M142 HydrophobicContact CG-CG 3.76Å
138G90.3Very high85.6Confident19 Ų1964.2 Ų64.220%0.19635%0.346CS..Hα-helixtrans81.9175.9178.100000114.2H136 V140 M142H136-G138 PolarHBondContact O-N 3.5Å; G138-V140 PolarHBondContact O-N 3.42Å; G138-M142 WeakPolarHBondContact O-CB 3.47Å; G138-M142 VanDerWaalsContact O-CG 3.28Å; G138-M142 WeakPolarHBondContact O-CG 3.23Å; G138-M142 PolarHBondContact O-N 2.68Å
139I91.7Very high84.6Confident50 Ų5066.3 Ų66.326%0.25636%0.363SS..Hα-helixtrans-61.1-46.4-168.3-60.8171000111.9K143 E160 V163I139-K143 HydrophobicContact CG2-CD 3.85Å; I139-K143 HydrophobicContact CG2-CG 4.33Å; I139-K143 VanDerWaalsContact O-CB 3.3Å; I139-K143 WeakPolarHBondContact O-CB 3.15Å; I139-K143 VanDerWaalsContact O-CG 3.26Å; I139-K143 WeakPolarHBondContact O-CG 3.48Å; I139-K143 PolarHBondContact O-N 3.27Å; I139-E160 HydrophobicContact CD1-CG 4.24Å; I139-E160 HydrophobicContact CG2-CG 3.93Å; I139-V163 HydrophobicContact CD1-CB 4.46Å; I139-V163 HydrophobicContact CD1-CG1 4.33Å; I139-V163 HydrophobicContact CG1-CB 3.68Å; I139-V163 HydrophobicContact CG1-CG1 3.63Å; I139-V163 HydrophobicContact CG1-CG2 4.02Å
140V89.5Confident83.7Confident122 Ų12269 Ų6974%0.73938%0.376SS*.Hα-helixtrans-64.2-50.6-173.7178.20000110.6G138 K143 A144G138-V140 PolarHBondContact O-N 3.42Å; V140-K143 PolarHBondContact O-N 3.33Å; V140-A144 WeakPolarHBondContact O-CB 3.3Å; V140-A144 PolarHBondContact O-N 3.26Å
141Q85.9Confident83.1Confident115 Ų11570 Ų7054%0.53738%0.375SS..Hα-helixtrans-67.9-45179.8-71.1-170.68.900111.8P137 K143 A144 I145P137-Q141 HydrophobicContact CB-CB 3.8Å; Q141-K143 VanDerWaalsContact C-N 3.29Å; Q141-K143 PolarHBondContact O-N 2.92Å; Q141-A144 WeakPolarHBondContact O-CB 3.24Å; Q141-A144 PolarHBondContact O-N 2.85Å; Q141-I145 WeakPolarHBondContact O-CG1 3.46Å; Q141-I145 PolarHBondContact O-N 2.93Å
142M89.4Confident82.7Confident0 Ų064 Ų640%035%0.348CS..Hα-helixtrans-56.9-43.7176-75.1-176.168.600111.6L132 H133 P137 G138 A146 I159 V163L132-M142 HydrophobicContact CB-CE 3.74Å; L132-M142 WeakPolarHBondContact O-CG 3.25Å; H133-M142 HydrophobicContact CB-CE 3.73Å; H133-M142 HydrophobicContact CB-SD 4.02Å; H133-M142 PolarHBondContact ND1-SD 3.5Å; P137-M142 HydrophobicContact CG-CG 3.76Å; G138-M142 WeakPolarHBondContact O-CB 3.47Å; G138-M142 VanDerWaalsContact O-CG 3.28Å; G138-M142 WeakPolarHBondContact O-CG 3.23Å; G138-M142 PolarHBondContact O-N 2.68Å; M142-A146 WeakPolarHBondContact O-CB 3.47Å; M142-A146 PolarHBondContact O-N 3.33Å; M142-I159 HydrophobicContact CB-CG2 3.6Å; M142-I159 HydrophobicContact CE-CG1 4.41Å; M142-I159 HydrophobicContact CE-CG2 4.13Å; M142-I159 HydrophobicContact CG-CG2 4.5Å; M142-I159 HydrophobicContact SD-CG2 4.23Å; M142-V163 HydrophobicContact SD-CG2 3.36Å; M142-V163 WeakPolarHBondContact SD-CG2 3.43Å
143K88.4Confident82.3Confident34 Ų3466.1 Ų66.115%0.14837%0.367CS..Hα-helixtrans-66-37.1176.4-75.1-178.7177.3-179.90112.2I139 V140 Q141 R147 G156 I159 E160I139-K143 HydrophobicContact CG2-CD 3.85Å; I139-K143 HydrophobicContact CG2-CG 4.33Å; I139-K143 VanDerWaalsContact O-CB 3.3Å; I139-K143 WeakPolarHBondContact O-CB 3.15Å; I139-K143 VanDerWaalsContact O-CG 3.26Å; I139-K143 WeakPolarHBondContact O-CG 3.48Å; I139-K143 PolarHBondContact O-N 3.27Å; V140-K143 PolarHBondContact O-N 3.33Å; Q141-K143 VanDerWaalsContact C-N 3.29Å; Q141-K143 PolarHBondContact O-N 2.92Å; K143-R147 VanDerWaalsContact O-CB 3.3Å; K143-R147 WeakPolarHBondContact O-CB 3.13Å; K143-R147 WeakPolarHBondContact O-CD 2.96Å; K143-R147 WeakPolarHBondContact O-CG 3.14Å; K143-R147 PolarHBondContact O-N 2.84Å; K143-G156 WeakPolarHBondContact CE-O 3.29Å; K143-I159 HydrophobicContact CG-CB 4.47Å; K143-I159 HydrophobicContact CG-CD1 4.06Å; K143-I159 HydrophobicContact CG-CG2 4.02Å; K143-E160 IonicContact NZ-OE1 2.87Å; K143-E160 PolarHBondContact NZ-OE1 3.28Å
144A80.4Confident81.8Confident54 Ų5467 Ų6745%0.44638%0.381SS..Hα-helixtrans-65.9-48.417700000111.3V140 Q141 R147 S148V140-A144 WeakPolarHBondContact O-CB 3.3Å; V140-A144 PolarHBondContact O-N 3.26Å; Q141-A144 WeakPolarHBondContact O-CB 3.24Å; Q141-A144 PolarHBondContact O-N 2.85Å; A144-R147 PolarHBondContact O-N 3.24Å; A144-S148 PolarHBondContact O-N 3.48Å; A144-S148 VanDerWaalsContact O-N 3.16Å
145I78.2Confident81.6Confident77 Ų7760.7 Ų60.740%0.39535%0.352SS..Hα-helixtrans-61.3-51.1176.9-63166000109.7L132 Q141 R147 S148 C149L132-I145 HydrophobicContact CD2-CB 4.02Å; L132-I145 HydrophobicContact CD2-CG2 3.47Å; L132-I145 VanDerWaalsContact CD2-CG2 3.47Å; Q141-I145 WeakPolarHBondContact O-CG1 3.46Å; Q141-I145 PolarHBondContact O-N 2.93Å; I145-R147 PolarHBondContact O-N 2.97Å; I145-S148 WeakPolarHBondContact O-CA 3.39Å; I145-S148 WeakPolarHBondContact O-CB 3.13Å; I145-S148 PolarHBondContact O-N 3.43Å; I145-S148 PolarHBondContact O-OG 2.81Å; I145-C149 PolarHBondContact O-N 3.22Å; I145-C149 PolarHBondContact O-SG 3.29Å
146A78Confident81.3Confident0 Ų058.4 Ų58.40%033%0.329CS..Hα-helixtrans-55.9-51.3-179.700000111.2L132 M142 S148 C149 I150 M155 I159L132-A146 HydrophobicContact CD1-CB 3.79Å; L132-A146 HydrophobicContact CD2-CB 4.38Å; M142-A146 WeakPolarHBondContact O-CB 3.47Å; M142-A146 PolarHBondContact O-N 3.33Å; A146-S148 PolarHBondContact O-N 2.94Å; A146-C149 PolarHBondContact O-N 3.13Å; A146-C149 VanDerWaalsContact O-N 3.07Å; A146-I150 CarbonylContact C-O 3.53Å; A146-I150 CarbonylContact O-C 3.59Å; A146-I150 PolarHBondContact O-N 3.29Å; A146-M155 HydrophobicContact CB-CE 4.14Å; A146-M155 HydrophobicContact CB-SD 3.73Å; A146-I159 HydrophobicContact CB-CD1 3.81Å
147R78.9Confident81.3Confident146 Ų14661 Ų6155%0.55135%0.345SS*.Hα-helixtrans-60.4-17.7177.2-71.5169.2-172.6141.5-4.2113.8F93 K143 A144 I145 M155F93-R147 WeakPolarHBondContact CE1-O 3.34Å; F93-R147 WeakPolarHBondContact CZ-O 3.32Å; K143-R147 VanDerWaalsContact O-CB 3.3Å; K143-R147 WeakPolarHBondContact O-CB 3.13Å; K143-R147 WeakPolarHBondContact O-CD 2.96Å; K143-R147 WeakPolarHBondContact O-CG 3.14Å; K143-R147 PolarHBondContact O-N 2.84Å; A144-R147 PolarHBondContact O-N 3.24Å; I145-R147 PolarHBondContact O-N 2.97Å; R147-M155 HydrophobicContact CG-CE 4.24Å
148S69.9Low81.4Confident55 Ų5561.1 Ų61.139%0.38534%0.342SS..Hα-helixtrans-83.5-20.1178.980.50000114.9F93 A144 I145 A146F93-S148 WeakPolarHBondContact CE2-O 3.19Å; A144-S148 PolarHBondContact O-N 3.48Å; A144-S148 VanDerWaalsContact O-N 3.16Å; I145-S148 WeakPolarHBondContact O-CA 3.39Å; I145-S148 WeakPolarHBondContact O-CB 3.13Å; I145-S148 PolarHBondContact O-N 3.43Å; I145-S148 PolarHBondContact O-OG 2.81Å; A146-S148 PolarHBondContact O-N 2.94Å
149C59.4Low81.4Confident78 Ų7860.2 Ų60.253%0.52733%0.333SS..Hα-helixtrans-132.9-28-172.855.10000114.3I145 A146I145-C149 PolarHBondContact O-N 3.22Å; I145-C149 PolarHBondContact O-SG 3.29Å; A146-C149 PolarHBondContact O-N 3.13Å; A146-C149 VanDerWaalsContact O-N 3.07Å
150I69.1Low81.5Confident64 Ų6460 Ų6033%0.32833%0.331SS..  trans-147.1150.9-165.7-52165.8000110.8I128 A146 W152I128-I150 HydrophobicContact CD1-CD1 4.21Å; I128-I150 HydrophobicContact CD1-CG2 4.45Å; I128-I150 HydrophobicContact CG2-CD1 3.53Å; A146-I150 CarbonylContact C-O 3.53Å; A146-I150 CarbonylContact O-C 3.59Å; A146-I150 PolarHBondContact O-N 3.29Å; I150-W152 HydrophobicContact CB-CZ3 4.24Å; I150-W152 HydrophobicContact CG2-CE3 3.68Å; I150-W152 HydrophobicContact CG2-CZ3 3.55Å
151W76.5Confident81.7Confident184 Ų18458.6 Ų58.670%0.69732%0.323SS*.  trans-146.3141.1171.7-177.390.5000112.4A121A121-W151 HydrophobicContact CB-CE3 4.46Å; A121-W151 HydrophobicContact CB-CZ3 3.98Å
152W78.3Confident82Confident2 Ų255 Ų551%0.00831%0.309CS..  trans-151.3163.1165.964.496.9000111.5A121 P122 Q125 I128 L129 L132 I150 G154 M155 E158A121-W152 HydrophobicContact CB-CB 4.28Å; P122-W152 HydrophobicContact CG-CB 4.39Å; P122-W152 VanDerWaalsContact O-CB 3.29Å; P122-W152 WeakPolarHBondContact O-CB 3.31Å; Q125-W152 HydrophobicContact CB-CD2 4.35Å; Q125-W152 HydrophobicContact CB-CE3 4.43Å; Q125-W152 HydrophobicContact CB-CH2 4.06Å; Q125-W152 HydrophobicContact CB-CZ2 3.93Å; Q125-W152 HydrophobicContact CB-CZ3 4.3Å; Q125-W152 HydrophobicContact CG-CD2 4.1Å; Q125-W152 HydrophobicContact CG-CE3 4.18Å; Q125-W152 HydrophobicContact CG-CZ3 4.48Å; I128-W152 HydrophobicContact CB-CH2 4.46Å; I128-W152 HydrophobicContact CG2-CH2 4.12Å; I128-W152 HydrophobicContact CG2-CZ3 4.19Å; L129-W152 HydrophobicContact CD2-CH2 4.36Å; L129-W152 HydrophobicContact CD2-CZ2 4Å; L129-W152 HydrophobicContact CG-CZ2 4.1Å; L132-W152 HydrophobicContact CD1-CH2 4.46Å; I150-W152 HydrophobicContact CB-CZ3 4.24Å; I150-W152 HydrophobicContact CG2-CE3 3.68Å; I150-W152 HydrophobicContact CG2-CZ3 3.55Å; W152-G154 PolarHBondContact O-N 2.89Å; W152-M155 HydrophobicContact CD2-CB 3.73Å; W152-M155 HydrophobicContact CD2-CG 3.96Å; W152-M155 HydrophobicContact CD2-SD 4.17Å; W152-M155 HydrophobicContact CE3-CB 4.28Å; W152-M155 HydrophobicContact CE3-CG 4.08Å; W152-M155 HydrophobicContact CE3-SD 3.73Å; W152-M155 HydrophobicContact CG-CB 4.02Å; W152-M155 HydrophobicContact CH2-CB 4.49Å; W152-M155 HydrophobicContact CH2-CG 3.74Å; W152-M155 HydrophobicContact CH2-SD 3.95Å; W152-M155 HydrophobicContact CZ2-CB 3.98Å; W152-M155 HydrophobicContact CZ2-CG 3.63Å; W152-M155 HydrophobicContact CZ2-SD 4.38Å; W152-M155 HydrophobicContact CZ3-CG 3.97Å; W152-M155 HydrophobicContact CZ3-SD 3.6Å; W152-M155 VanDerWaalsContact O-CB 3.27Å; W152-M155 WeakPolarHBondContact O-CB 3.45Å; W152-M155 PolarHBondContact O-N 2.76Å; W152-E158 PolarHBondContact NE1-OE1 3.3Å; W152-E158 PolarHBondContact NE1-OE2 3.19Å
153A74.9Confident82.1Confident59 Ų5955.5 Ų55.549%0.48831%0.312SS..THydrogen-bonded Turntrans-67128.517800000110.4M155A153-M155 VanDerWaalsContact C-N 3.33Å
154G83Confident82.3Confident39 Ų3962.4 Ų62.440%0.40234%0.337SS..THydrogen-bonded Turntrans86.8-6.8-177.700000115.2W152 G156 N157 E158W152-G154 PolarHBondContact O-N 2.89Å; G154-G156 PolarHBondContact O-N 3.08Å; G154-G156 VanDerWaalsContact O-N 3.09Å; G154-N157 WeakPolarHBondContact O-CA 3.45Å; G154-N157 WeakPolarHBondContact O-CB 3.37Å; G154-N157 PolarHBondContact O-N 2.87Å; G154-E158 PolarHBondContact O-N 3.47Å
155M82.4Confident82.8Confident11 Ų1164 Ų645%0.05435%0.345CS..Hα-helixtrans-47.3-44.7179.8179175.674.400113.6A146 R147 W152 A153 N157 E158 I159A146-M155 HydrophobicContact CB-CE 4.14Å; A146-M155 HydrophobicContact CB-SD 3.73Å; R147-M155 HydrophobicContact CG-CE 4.24Å; W152-M155 HydrophobicContact CD2-CB 3.73Å; W152-M155 HydrophobicContact CD2-CG 3.96Å; W152-M155 HydrophobicContact CD2-SD 4.17Å; W152-M155 HydrophobicContact CE3-CB 4.28Å; W152-M155 HydrophobicContact CE3-CG 4.08Å; W152-M155 HydrophobicContact CE3-SD 3.73Å; W152-M155 HydrophobicContact CG-CB 4.02Å; W152-M155 HydrophobicContact CH2-CB 4.49Å; W152-M155 HydrophobicContact CH2-CG 3.74Å; W152-M155 HydrophobicContact CH2-SD 3.95Å; W152-M155 HydrophobicContact CZ2-CB 3.98Å; W152-M155 HydrophobicContact CZ2-CG 3.63Å; W152-M155 HydrophobicContact CZ2-SD 4.38Å; W152-M155 HydrophobicContact CZ3-CG 3.97Å; W152-M155 HydrophobicContact CZ3-SD 3.6Å; W152-M155 VanDerWaalsContact O-CB 3.27Å; W152-M155 WeakPolarHBondContact O-CB 3.45Å; W152-M155 PolarHBondContact O-N 2.76Å; A153-M155 VanDerWaalsContact C-N 3.33Å; M155-N157 VanDerWaalsContact C-N 3.32Å; M155-N157 PolarHBondContact O-N 2.84Å; M155-E158 PolarHBondContact O-N 3.02Å; M155-I159 HydrophobicContact CG-CD1 3.81Å; M155-I159 HydrophobicContact CG-CG1 4.47Å; M155-I159 WeakPolarHBondContact O-CB 3.47Å; M155-I159 VanDerWaalsContact O-CG1 3.24Å; M155-I159 WeakPolarHBondContact O-CG1 3.48Å; M155-I159 PolarHBondContact O-N 3.19Å
156G84.3Confident83.5Confident25 Ų2561.4 Ų61.426%0.25833%0.333SS..Hα-helixtrans-60.9-40.9179.300000113.1K143 G154 E160K143-G156 WeakPolarHBondContact CE-O 3.29Å; G154-G156 PolarHBondContact O-N 3.08Å; G154-G156 VanDerWaalsContact O-N 3.09Å; G156-E160 WeakPolarHBondContact O-CG 3.36Å; G156-E160 PolarHBondContact O-N 3.3Å
157N89.9Confident84.1Confident114 Ų11468.1 Ų68.161%0.6137%0.369SS*.Hα-helixtrans-74.2-41.4179.5-65-9.5000110.7G154 M155 I159 E160 T161G154-N157 WeakPolarHBondContact O-CA 3.45Å; G154-N157 WeakPolarHBondContact O-CB 3.37Å; G154-N157 PolarHBondContact O-N 2.87Å; M155-N157 VanDerWaalsContact C-N 3.32Å; M155-N157 PolarHBondContact O-N 2.84Å; N157-I159 PolarHBondContact O-N 3.38Å; N157-E160 PolarHBondContact O-N 3.1Å; N157-T161 PolarHBondContact O-N 3.25Å; N157-T161 PolarHBondContact O-OG1 2.89Å
158E90.5Very high84.6Confident35 Ų3567.7 Ų67.716%0.16437%0.372CS..Hα-helixtrans-61-42.9176.1-76.9174.3-108.900112.2S124 Q125 L129 W152 G154 M155 E160 T161 V162S124-E158 WeakPolarHBondContact CA-OE2 3.4Å; Q125-E158 PolarHBondContact N-OE2 2.71Å; L129-E158 HydrophobicContact CD1-CB 3.82Å; L129-E158 HydrophobicContact CD1-CG 4.44Å; L129-E158 WeakPolarHBondContact CD1-OE2 3.17Å; L129-E158 HydrophobicContact CD2-CB 4.27Å; W152-E158 PolarHBondContact NE1-OE1 3.3Å; W152-E158 PolarHBondContact NE1-OE2 3.19Å; G154-E158 PolarHBondContact O-N 3.47Å; M155-E158 PolarHBondContact O-N 3.02Å; E158-E160 VanDerWaalsContact C-N 3.35Å; E158-E160 PolarHBondContact O-N 2.73Å; E158-T161 PolarHBondContact O-N 2.85Å; E158-V162 WeakPolarHBondContact O-CG2 3.4Å; E158-V162 PolarHBondContact O-N 3.35Å
159I91.4Very high85.4Confident1 Ų165.4 Ų65.41%0.00536%0.355CS..Hα-helixtrans-60.7-45.2174.7-69.7168000110.7L129 M142 K143 A146 M155 N157 T161 V162 V163L129-I159 HydrophobicContact CD2-CG1 3.64Å; M142-I159 HydrophobicContact CB-CG2 3.6Å; M142-I159 HydrophobicContact CE-CG1 4.41Å; M142-I159 HydrophobicContact CE-CG2 4.13Å; M142-I159 HydrophobicContact CG-CG2 4.5Å; M142-I159 HydrophobicContact SD-CG2 4.23Å; K143-I159 HydrophobicContact CG-CB 4.47Å; K143-I159 HydrophobicContact CG-CD1 4.06Å; K143-I159 HydrophobicContact CG-CG2 4.02Å; A146-I159 HydrophobicContact CB-CD1 3.81Å; M155-I159 HydrophobicContact CG-CD1 3.81Å; M155-I159 HydrophobicContact CG-CG1 4.47Å; M155-I159 WeakPolarHBondContact O-CB 3.47Å; M155-I159 VanDerWaalsContact O-CG1 3.24Å; M155-I159 WeakPolarHBondContact O-CG1 3.48Å; M155-I159 PolarHBondContact O-N 3.19Å; N157-I159 PolarHBondContact O-N 3.38Å; I159-T161 PolarHBondContact O-N 3.29Å; I159-V162 PolarHBondContact O-N 3.43Å; I159-V163 HydrophobicContact CG2-CG2 4.46Å; I159-V163 VanDerWaalsContact O-CG2 3.31Å; I159-V163 WeakPolarHBondContact O-CG2 3.42Å; I159-V163 PolarHBondContact O-N 3.38Å
160E93.1Very high86.5Confident44 Ų4464.6 Ų64.621%0.20635%0.354CS..Hα-helixtrans-61-44.4176.9-75.6-175.4-146.200112.1I139 K143 G156 N157 E158 V163 R164I139-E160 HydrophobicContact CD1-CG 4.24Å; I139-E160 HydrophobicContact CG2-CG 3.93Å; K143-E160 IonicContact NZ-OE1 2.87Å; K143-E160 PolarHBondContact NZ-OE1 3.28Å; G156-E160 WeakPolarHBondContact O-CG 3.36Å; G156-E160 PolarHBondContact O-N 3.3Å; N157-E160 PolarHBondContact O-N 3.1Å; E158-E160 VanDerWaalsContact C-N 3.35Å; E158-E160 PolarHBondContact O-N 2.73Å; E160-V163 PolarHBondContact O-N 2.91Å; E160-R164 VanDerWaalsContact O-CB 3.28Å; E160-R164 WeakPolarHBondContact O-CB 3.48Å; E160-R164 VanDerWaalsContact O-CG 3.27Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 2.86Å; E160-R164 IonicContact OE2-CZ 2.62Å; E160-R164 IonicContact OE2-NH1 3.46Å; E160-R164 IonicContact OE2-NH2 3.75Å; E160-R164 PolarHBondContact OE2-NH2 3.03Å
161T93.1Very high87Confident94 Ų9465.4 Ų65.458%0.57737%0.37SS*.Hα-helixtrans-59.3-49.8177.6-60.40000111.1N157 E158 I159 V163 R164 S165N157-T161 PolarHBondContact O-N 3.25Å; N157-T161 PolarHBondContact O-OG1 2.89Å; E158-T161 PolarHBondContact O-N 2.85Å; I159-T161 PolarHBondContact O-N 3.29Å; T161-V163 PolarHBondContact O-N 3.2Å; T161-R164 PolarHBondContact O-N 3.46Å; T161-S165 WeakPolarHBondContact O-CB 3.11Å; T161-S165 PolarHBondContact O-N 2.96Å; T161-S165 PolarHBondContact O-OG 3.38Å
162V92.6Very high86.7Confident39 Ų3961.4 Ų61.424%0.23637%0.366CS..Hα-helixtrans-60.9-43.1-179.7169.70000111.8L129 H133 E158 I159 S165 C166L129-V162 HydrophobicContact CB-CG2 4.33Å; L129-V162 HydrophobicContact CD1-CG2 4.12Å; H133-V162 HydrophobicContact CB-CG1 4.22Å; E158-V162 WeakPolarHBondContact O-CG2 3.4Å; E158-V162 PolarHBondContact O-N 3.35Å; I159-V162 PolarHBondContact O-N 3.43Å; V162-S165 PolarHBondContact O-OG 3.44Å; V162-S165 VanDerWaalsContact O-OG 3.1Å; V162-C166 WeakPolarHBondContact O-CB 3.31Å; V162-C166 PolarHBondContact O-N 2.96Å
163V92.5Very high85.6Confident11 Ų1166.8 Ų66.87%0.06740%0.403CS..Hα-helixtrans-71.6-40.3-179.6178.50000111.4I139 M142 I159 E160 T161 S165 C166 C169I139-V163 HydrophobicContact CD1-CB 4.46Å; I139-V163 HydrophobicContact CD1-CG1 4.33Å; I139-V163 HydrophobicContact CG1-CB 3.68Å; I139-V163 HydrophobicContact CG1-CG1 3.63Å; I139-V163 HydrophobicContact CG1-CG2 4.02Å; M142-V163 HydrophobicContact SD-CG2 3.36Å; M142-V163 WeakPolarHBondContact SD-CG2 3.43Å; I159-V163 HydrophobicContact CG2-CG2 4.46Å; I159-V163 VanDerWaalsContact O-CG2 3.31Å; I159-V163 WeakPolarHBondContact O-CG2 3.42Å; I159-V163 PolarHBondContact O-N 3.38Å; E160-V163 PolarHBondContact O-N 2.91Å; T161-V163 PolarHBondContact O-N 3.2Å; V163-S165 VanDerWaalsContact C-N 3.33Å; V163-C166 PolarHBondContact O-N 3.32Å; V163-C169 HydrophobicContact CG1-CB 3.73Å
164R91.5Very high84.5Confident178 Ų17866.8 Ų66.867%0.67241%0.408SS*.Hα-helixtrans-68.5-30.7177.6-74.2-177.9-176.6154.215.1112.9E160 T161 C166E160-R164 VanDerWaalsContact O-CB 3.28Å; E160-R164 WeakPolarHBondContact O-CB 3.48Å; E160-R164 VanDerWaalsContact O-CG 3.27Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 2.86Å; E160-R164 IonicContact OE2-CZ 2.62Å; E160-R164 IonicContact OE2-NH1 3.46Å; E160-R164 IonicContact OE2-NH2 3.75Å; E160-R164 PolarHBondContact OE2-NH2 3.03Å; T161-R164 PolarHBondContact O-N 3.46Å; R164-C166 VanDerWaalsContact C-N 3.28Å
165S91.1Very high82.5Confident89 Ų8971.5 Ų71.562%0.62242%0.424SS*.THydrogen-bonded Turntrans-82.4-0.9175.966.20000113.8T161 V162 V163T161-S165 WeakPolarHBondContact O-CB 3.11Å; T161-S165 PolarHBondContact O-N 2.96Å; T161-S165 PolarHBondContact O-OG 3.38Å; V162-S165 PolarHBondContact O-OG 3.44Å; V162-S165 VanDerWaalsContact O-OG 3.1Å; V163-S165 VanDerWaalsContact C-N 3.33Å
166C93Very high80.8Confident22 Ų2276.5 Ų76.515%0.14946%0.458CS..  trans-100.5115.5-177.1-176.30000111.6H133 H136 V162 V163 R164 K168 C169 A170H133-C166 PolarHBondContact NE2-SG 3.14Å; H136-C166 VanDerWaalsContact CE1-SG 3.54Å; H136-C166 PolarHBondContact ND1-SG 3.36Å; H136-C166 VanDerWaalsContact ND1-SG 3.43Å; V162-C166 WeakPolarHBondContact O-CB 3.31Å; V162-C166 PolarHBondContact O-N 2.96Å; V163-C166 PolarHBondContact O-N 3.32Å; R164-C166 VanDerWaalsContact C-N 3.28Å; C166-K168 PolarHBondContact O-N 2.92Å; C166-C169 HydrophobicContact CB-CB 4.13Å; C166-C169 PolarHBondContact O-N 2.96Å; C166-C169 VanDerWaalsContact O-N 3.12Å; C166-A170 PolarHBondContact O-N 3.3Å
167D90.3Very high78.9Confident141 Ų14181 Ų8175%0.75449%0.485SS*.Hα-helixtrans-58-36.5178.9-57.7-38.7000112.9A170 A171D167-A170 PolarHBondContact O-N 3.41Å; D167-A171 WeakPolarHBondContact O-CB 3.48Å; D167-A171 PolarHBondContact O-N 3.34Å
168K89.5Confident76.4Confident137 Ų13784.7 Ų84.760%0.59650%0.496SS*.Hα-helixtrans-66.3-41178.4-68.1175.8176.6-1780112H136 C166 A171 V172H136-K168 WeakPolarHBondContact NE2-CD 3.38Å; C166-K168 PolarHBondContact O-N 2.92Å; K168-A171 PolarHBondContact O-N 2.95Å; K168-V172 WeakPolarHBondContact O-CG2 3.46Å; K168-V172 PolarHBondContact O-N 3.19Å
169C87.5Confident73.7Confident6 Ų694.6 Ų94.64%0.04155%0.55CS..Hα-helixtrans-69.4-38.2174.2-730000111.5H133 V163 C166 A171 V172 C173H133-C169 PolarHBondContact CE1-SG 3.13Å; V163-C169 HydrophobicContact CG1-CB 3.73Å; C166-C169 HydrophobicContact CB-CB 4.13Å; C166-C169 PolarHBondContact O-N 2.96Å; C166-C169 VanDerWaalsContact O-N 3.12Å; C169-A171 VanDerWaalsContact C-N 3.29Å; C169-A171 PolarHBondContact O-N 3.46Å; C169-V172 PolarHBondContact O-N 3.41Å; C169-C173 PolarHBondContact O-N 2.92Å; C169-C173 PolarHBondContact O-SG 3.42Å; C169-C173 VanDerWaalsContact O-SG 3.4Å
170A82Confident72.8Confident62 Ų6299.3 Ų99.351%0.51258%0.577SS.*Hα-helixtrans-60.9-38.2175.900000112.1C166 D167 V172 C173C166-A170 PolarHBondContact O-N 3.3Å; D167-A170 PolarHBondContact O-N 3.41Å; A170-V172 PolarHBondContact O-N 3.25Å; A170-C173 PolarHBondContact O-N 3.2Å
171A80.2Confident71.8Confident80 Ų80102.2 Ų102.266%0.66160%0.597SS**Hα-helixtrans-66-34.2177.100000113.4D167 K168 C169D167-A171 WeakPolarHBondContact O-CB 3.48Å; D167-A171 PolarHBondContact O-N 3.34Å; K168-A171 PolarHBondContact O-N 2.95Å; C169-A171 VanDerWaalsContact C-N 3.29Å; C169-A171 PolarHBondContact O-N 3.46Å
172V69.6Low70.6Confident100 Ų100102.6 Ų102.661%0.60660%0.598SS**Hα-helixtrans-76-27.5-179.11770000112.2K168 C169 A170 G174 N175K168-V172 WeakPolarHBondContact O-CG2 3.46Å; K168-V172 PolarHBondContact O-N 3.19Å; C169-V172 PolarHBondContact O-N 3.41Å; A170-V172 PolarHBondContact O-N 3.25Å; V172-G174 PolarHBondContact O-N 2.92Å; V172-N175 PolarHBondContact O-N 3.35Å
173C54.5Low69.3Low115 Ų115106.4 Ų106.478%0.77762%0.619SS**THydrogen-bonded Turntrans-60-9.1176.7-69.30000113.9C169 A170C169-C173 PolarHBondContact O-N 2.92Å; C169-C173 PolarHBondContact O-SG 3.42Å; C169-C173 VanDerWaalsContact O-SG 3.4Å; A170-C173 PolarHBondContact O-N 3.2Å
174G52.6Low67.8Low59 Ų59112.3 Ų112.361%0.60865%0.654SS**THydrogen-bonded Turntrans-83.5-7.6176.600000117V172V172-G174 PolarHBondContact O-N 2.92Å
175N42Very low66.3Low138 Ų138107.9 Ų107.974%0.73865%0.652SS**  trans-151122.4180-106.1-23.2000114.7V172 S177V172-N175 PolarHBondContact O-N 3.35Å; N175-S177 PolarHBondContact O-N 2.77Å; N175-S177 VanDerWaalsContact O-N 3.15Å
176P46.5Very low64.5Low116 Ų116109.3 Ų109.375%0.75366%0.655SS**  trans-7997.817231.7-28.6000108.9K178P176-K178 VanDerWaalsContact C-N 3.34Å; P176-K178 PolarHBondContact O-N 3.33Å
177S44.1Very low62.3Low120 Ų120116 Ų11684%0.83969%0.693SS**  trans-70.194.9165.557.90000108.7N175N175-S177 PolarHBondContact O-N 2.77Å; N175-S177 VanDerWaalsContact O-N 3.15Å
178K37.2Very low60Low191 Ų191113.9 Ų113.983%0.8369%0.688SS**  trans-68.5123.6158.7-71.6-179.1177.51790107.7P176P176-K178 VanDerWaalsContact C-N 3.34Å; P176-K178 PolarHBondContact O-N 3.33Å
179N33.8Very low57.3Low243 Ų243111.8 Ų111.8100%1.29970%0.697SS**  trans-146.20145.9-95.3-7.6000107.2

Retrieved 179 of 179 residues in 1230.4 ms (Link to these results)

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