A0A077ZR38_TRITR Loading...

Probable pre mrna-splicing factor atp-dependent r na helicase mog- atp dependent rna helicase dhx

AlphaFold DB , UniProt , Accession A0A077ZR38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M82.6Confident90.5Very high120 Ų120135.4 Ų135.459%0.59167%0.673SS**  0-51.30-67.3-59-101.800110.5R3 H4 K5 L6 M8M1-R3 PolarHBondContact O-N 3.14Å; M1-H4 PolarHBondContact O-N 3.11Å; M1-K5 PolarHBondContact O-N 3.44Å; M1-L6 HydrophobicContact CE-CB 3.85Å; M1-L6 HydrophobicContact CE-CD1 4.26Å; M1-L6 PolarHBondContact O-N 3.18Å; M1-L6 HydrophobicContact SD-CB 3.95Å; M1-L6 HydrophobicContact SD-CD1 3.91Å; M1-M8 HydrophobicContact CB-CG 3.79Å; M1-M8 HydrophobicContact CB-SD 4.17Å; M1-M8 HydrophobicContact CG-CG 4.01Å; M1-M8 HydrophobicContact CG-SD 4.19Å
2D82.9Confident90.8Very high131 Ų131128.9 Ų128.970%0.70167%0.667SS**G310 helixtrans-58.3-40.8-175.8-49.7-17.9000114.5H4 K5D2-H4 PolarHBondContact O-N 3.3Å; D2-K5 PolarHBondContact O-N 3.14Å; D2-K5 VanDerWaalsContact O-N 3.12Å
3R92.4Very high91.1Very high232 Ų232135.1 Ų135.188%0.87569%0.686SS**G310 helixtrans-59.1-31.1177.4-172.6176.5-178.8173.61.1113.3M1M1-R3 PolarHBondContact O-N 3.14Å
4H92Very high91.4Very high143 Ų143130.1 Ų130.166%0.66266%0.662SS**G310 helixtrans-101.78.6-177.9-64-66.9000113M1 D2 L6M1-H4 PolarHBondContact O-N 3.11Å; D2-H4 PolarHBondContact O-N 3.3Å; H4-L6 HydrophobicContact CB-CD1 4.42Å; H4-L6 HydrophobicContact CB-CG 4.27Å; H4-L6 PolarHBondContact O-N 3.15Å
5K90.5Very high91.6Very high188 Ų188128 Ų12882%0.81766%0.657SS**THydrogen-bonded Turntrans53.739-178.1-54.5-177.2178.7-175.40112.8M1 D2M1-K5 PolarHBondContact O-N 3.44Å; D2-K5 PolarHBondContact O-N 3.14Å; D2-K5 VanDerWaalsContact O-N 3.12Å
6L91.8Very high91.9Very high98 Ų98125.8 Ų125.851%0.51364%0.643SS.*  trans-96.3115.7171.7-65.4176.8000108.6M1 H4 M8M1-L6 HydrophobicContact CE-CB 3.85Å; M1-L6 HydrophobicContact CE-CD1 4.26Å; M1-L6 PolarHBondContact O-N 3.18Å; M1-L6 HydrophobicContact SD-CB 3.95Å; M1-L6 HydrophobicContact SD-CD1 3.91Å; H4-L6 HydrophobicContact CB-CD1 4.42Å; H4-L6 HydrophobicContact CB-CG 4.27Å; H4-L6 PolarHBondContact O-N 3.15Å; L6-M8 PolarHBondContact O-N 3.44Å
7D91.9Very high92.2Very high131 Ų131125.8 Ų125.870%0.70164%0.637SS**  trans-64.4130.3-179.6-64.5-27.8000111.1L9D7-L9 HydrophobicContact CB-CD1 4.26Å; D7-L9 HydrophobicContact CB-CD2 4.49Å; D7-L9 HydrophobicContact CB-CG 3.97Å; D7-L9 PolarHBondContact O-N 3.03Å; D7-L9 VanDerWaalsContact O-N 3.15Å
8M91.7Very high92.4Very high144 Ų144122.3 Ų122.371%0.70962%0.624SS**  trans-82.690.3172.3-68-154.9-61.600110M1 L6M1-M8 HydrophobicContact CB-CG 3.79Å; M1-M8 HydrophobicContact CB-SD 4.17Å; M1-M8 HydrophobicContact CG-CG 4.01Å; M1-M8 HydrophobicContact CG-SD 4.19Å; L6-M8 PolarHBondContact O-N 3.44Å
9L92.4Very high92.7Very high151 Ų151118.1 Ų118.179%0.79160%0.601SS**  trans-106.8142.3177.9-60.3176000111.2D7D7-L9 HydrophobicContact CB-CD1 4.26Å; D7-L9 HydrophobicContact CB-CD2 4.49Å; D7-L9 HydrophobicContact CB-CG 3.97Å; D7-L9 PolarHBondContact O-N 3.03Å; D7-L9 VanDerWaalsContact O-N 3.15Å
10S92.9Very high92.9Very high108 Ų108115.4 Ų115.476%0.75559%0.585SS**  trans-97.5148.1172.3-179.50000111.4G12S10-G12 VanDerWaalsContact C-N 3.31Å; S10-G12 PolarHBondContact OG-N 3.43Å
11C93.9Very high93.1Very high43 Ų43112.7 Ų112.729%0.29158%0.58SS.*  trans-83.8-5172.5580000113.5K13 N14 K17 V18C11-K13 PolarHBondContact O-N 3.26Å; C11-N14 WeakPolarHBondContact O-CB 3.39Å; C11-N14 PolarHBondContact O-N 3.31Å; C11-N14 VanDerWaalsContact O-N 3.14Å; C11-K17 HydrophobicContact CB-CB 3.81Å; C11-K17 HydrophobicContact CB-CD 4.03Å; C11-V18 HydrophobicContact CB-CG2 4.3Å; C11-V18 WeakPolarHBondContact SG-CG2 3.3Å
12G94.3Very high93.8Very high58 Ų58110.2 Ų110.260%0.59857%0.569SS**THydrogen-bonded Turntrans60.5-130.3-174.300000111.3S10 N14S10-G12 VanDerWaalsContact C-N 3.31Å; S10-G12 PolarHBondContact OG-N 3.43Å; G12-N14 VanDerWaalsContact C-N 3.32Å
13K94.7Very high94.5Very high209 Ų209104 Ų10491%0.90954%0.535SS*.THydrogen-bonded Turntrans-87.23176.5-62.4-177179.9179.90113.6C11 V15C11-K13 PolarHBondContact O-N 3.26Å; K13-V15 PolarHBondContact O-N 3.27Å; K13-V15 VanDerWaalsContact O-N 3.11Å
14N95.8Very high94.7Very high66 Ų6695.5 Ų95.535%0.35351%0.511SS..  trans-84.789.8-175.4-170-28.1000111.2C11 G12 Q16 K17C11-N14 WeakPolarHBondContact O-CB 3.39Å; C11-N14 PolarHBondContact O-N 3.31Å; C11-N14 VanDerWaalsContact O-N 3.14Å; G12-N14 VanDerWaalsContact C-N 3.32Å; N14-Q16 PolarHBondContact O-N 3.37Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.4Å; N14-Q16 PolarHBondContact OD1-N 3Å; N14-Q16 VanDerWaalsContact OD1-N 3.14Å; N14-K17 HydrophobicContact CB-CD 4.31Å; N14-K17 HydrophobicContact CB-CG 4.32Å; N14-K17 PolarHBondContact O-N 3.02Å; N14-K17 PolarHBondContact OD1-N 2.89Å
15V94.9Very high95Very high98 Ų9891.3 Ų91.359%0.59451%0.507SS*.Hα-helixtrans-60.4-33.3178.9-175.30000112.1K13 K17 V18 Q19K13-V15 PolarHBondContact O-N 3.27Å; K13-V15 VanDerWaalsContact O-N 3.11Å; V15-K17 VanDerWaalsContact C-N 3.27Å; V15-K17 PolarHBondContact O-N 3.31Å; V15-V18 WeakPolarHBondContact O-CB 3.42Å; V15-V18 PolarHBondContact O-N 3.04Å; V15-Q19 HydrophobicContact CG1-CG 4.23Å; V15-Q19 WeakPolarHBondContact O-CG 3.48Å; V15-Q19 PolarHBondContact O-N 2.85Å
16Q96.4Very high95.3Very high93 Ų9385.8 Ų85.844%0.43548%0.483SS..Hα-helixtrans-62.3-32.8-179.4-67.8-175.5-2800112.7N14 V18 Q19 K20 W87N14-Q16 PolarHBondContact O-N 3.37Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.4Å; N14-Q16 PolarHBondContact OD1-N 3Å; N14-Q16 VanDerWaalsContact OD1-N 3.14Å; Q16-V18 VanDerWaalsContact C-N 3.28Å; Q16-V18 PolarHBondContact O-N 3.29Å; Q16-Q19 PolarHBondContact O-N 3.19Å; Q16-K20 VanDerWaalsContact O-CB 3.31Å; Q16-K20 WeakPolarHBondContact O-CB 3.31Å; Q16-K20 VanDerWaalsContact O-CG 3.3Å; Q16-K20 WeakPolarHBondContact O-CG 3.48Å; Q16-K20 PolarHBondContact O-N 3.07Å; Q16-W87 HydrophobicContact CG-CH2 4.48Å
17K96.3Very high95.5Very high125 Ų12583.4 Ų83.454%0.54347%0.469SS..Hα-helixtrans-61.6-39.7174.8-73.1-175.9177.1-177.20111.4C11 N14 V15 A21C11-K17 HydrophobicContact CB-CB 3.81Å; C11-K17 HydrophobicContact CB-CD 4.03Å; N14-K17 HydrophobicContact CB-CD 4.31Å; N14-K17 HydrophobicContact CB-CG 4.32Å; N14-K17 PolarHBondContact O-N 3.02Å; N14-K17 PolarHBondContact OD1-N 2.89Å; V15-K17 VanDerWaalsContact C-N 3.27Å; V15-K17 PolarHBondContact O-N 3.31Å; K17-A21 WeakPolarHBondContact O-CB 3.34Å; K17-A21 PolarHBondContact O-N 3.31Å
18V96.3Very high95.8Very high64 Ų6483.9 Ų83.939%0.38846%0.461SS..Hα-helixtrans-68.2-46.1176.2-175.70000110.4C11 V15 Q16 K20 A21 I22C11-V18 HydrophobicContact CB-CG2 4.3Å; C11-V18 WeakPolarHBondContact SG-CG2 3.3Å; V15-V18 WeakPolarHBondContact O-CB 3.42Å; V15-V18 PolarHBondContact O-N 3.04Å; Q16-V18 VanDerWaalsContact C-N 3.28Å; Q16-V18 PolarHBondContact O-N 3.29Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 3.46Å; V18-A21 PolarHBondContact O-N 2.94Å; V18-I22 HydrophobicContact CG1-CD1 3.98Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.44Å; V18-I22 PolarHBondContact O-N 3.12Å
19Q96.9Very high96.1Very high41 Ų4179.4 Ų79.419%0.19244%0.44CS..Hα-helixtrans-60.2-41.2177.9-63.5177.1-55.500112V15 Q16 I22 C23 A82 W87V15-Q19 HydrophobicContact CG1-CG 4.23Å; V15-Q19 WeakPolarHBondContact O-CG 3.48Å; V15-Q19 PolarHBondContact O-N 2.85Å; Q16-Q19 PolarHBondContact O-N 3.19Å; Q19-I22 PolarHBondContact O-N 3.39Å; Q19-C23 VanDerWaalsContact O-CB 3.24Å; Q19-C23 WeakPolarHBondContact O-CB 3.38Å; Q19-C23 PolarHBondContact O-N 2.83Å; Q19-A82 PolarHBondContact NE2-O 3.18Å; Q19-A82 VanDerWaalsContact NE2-O 3.11Å; Q19-W87 HydrophobicContact CB-CH2 4.23Å; Q19-W87 HydrophobicContact CB-CZ3 3.7Å
20K97.5Very high96.3Very high65 Ų6572.2 Ų72.228%0.28340%0.402SS..Hα-helixtrans-62.8-44.4174.6-79.5-177.2176.2-159.40112.2Q16 V18 C23 S24 W87 F91Q16-K20 VanDerWaalsContact O-CB 3.31Å; Q16-K20 WeakPolarHBondContact O-CB 3.31Å; Q16-K20 VanDerWaalsContact O-CG 3.3Å; Q16-K20 WeakPolarHBondContact O-CG 3.48Å; Q16-K20 PolarHBondContact O-N 3.07Å; V18-K20 VanDerWaalsContact C-N 3.31Å; V18-K20 PolarHBondContact O-N 3.46Å; K20-C23 WeakPolarHBondContact O-CB 3.34Å; K20-C23 PolarHBondContact O-N 3.46Å; K20-S24 PolarHBondContact O-N 3.28Å; K20-W87 HydrophobicContact CG-CD2 3.72Å; K20-W87 HydrophobicContact CG-CE3 3.95Å; K20-W87 HydrophobicContact CG-CG 4.1Å; K20-W87 HydrophobicContact CG-CZ2 4.39Å; K20-W87 HydrophobicContact CG-CZ3 4.37Å; K20-F91 HydrophobicContact CB-CE2 3.76Å; K20-F91 HydrophobicContact CB-CZ 3.71Å; K20-F91 HydrophobicContact CD-CZ 4.13Å; K20-F91 HydrophobicContact CG-CE2 3.96Å; K20-F91 HydrophobicContact CG-CZ 3.94Å; K20-F91 VanDerWaalsContact O-CE2 3.28Å; K20-F91 WeakPolarHBondContact O-CE2 3.49Å
21A96.6Very high96.6Very high59 Ų5967.1 Ų67.149%0.48837%0.366SS..Hα-helixtrans-60.7-46.4175.700000111.5K17 V18 C23 S24 G25K17-A21 WeakPolarHBondContact O-CB 3.34Å; K17-A21 PolarHBondContact O-N 3.31Å; V18-A21 PolarHBondContact O-N 2.94Å; A21-C23 PolarHBondContact O-N 3.18Å; A21-S24 PolarHBondContact O-N 3.27Å; A21-S24 PolarHBondContact O-OG 2.82Å; A21-G25 PolarHBondContact O-N 3.11Å
22I97.2Very high96.7Very high67 Ų6768.8 Ų68.834%0.34437%0.368SS..Hα-helixtrans-59.3-48174.7-66.2167.9000110.4V18 Q19 S24 G25 F26 C81V18-I22 HydrophobicContact CG1-CD1 3.98Å; V18-I22 HydrophobicContact CG1-CG1 4.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.44Å; V18-I22 PolarHBondContact O-N 3.12Å; Q19-I22 PolarHBondContact O-N 3.39Å; I22-S24 VanDerWaalsContact C-N 3.26Å; I22-S24 PolarHBondContact O-N 3.33Å; I22-G25 PolarHBondContact O-N 3.11Å; I22-G25 VanDerWaalsContact O-N 3.13Å; I22-F26 HydrophobicContact CG2-CD2 4.18Å; I22-F26 WeakPolarHBondContact O-CB 3.4Å; I22-F26 PolarHBondContact O-N 3.28Å; I22-C81 HydrophobicContact CG2-CB 4.5Å
23C97.6Very high96.9Very high0 Ų069.1 Ų69.10%035%0.354CS..Hα-helixtrans-57.3-39178.2-171.50000112.2Q19 K20 A21 G25 F27 V83 L88 F91Q19-C23 VanDerWaalsContact O-CB 3.24Å; Q19-C23 WeakPolarHBondContact O-CB 3.38Å; Q19-C23 PolarHBondContact O-N 2.83Å; K20-C23 WeakPolarHBondContact O-CB 3.34Å; K20-C23 PolarHBondContact O-N 3.46Å; A21-C23 PolarHBondContact O-N 3.18Å; C23-G25 VanDerWaalsContact C-N 3.35Å; C23-G25 PolarHBondContact O-N 2.89Å; C23-F27 WeakPolarHBondContact O-CA 3.48Å; C23-F27 WeakPolarHBondContact O-CB 3.43Å; C23-F27 PolarHBondContact O-N 3.41Å; C23-V83 HydrophobicContact CB-CG1 3.99Å; C23-L88 VanDerWaalsContact SG-CD2 3.55Å; C23-F91 HydrophobicContact CB-CD2 4.25Å; C23-F91 HydrophobicContact CB-CE2 4.38Å
24S97.3Very high96.9Very high54 Ų5460.6 Ų60.638%0.37832%0.318SS..Hα-helixtrans-67.4-31.8178.871.60000113.6K20 A21 I22 F27K20-S24 PolarHBondContact O-N 3.28Å; A21-S24 PolarHBondContact O-N 3.27Å; A21-S24 PolarHBondContact O-OG 2.82Å; I22-S24 VanDerWaalsContact C-N 3.26Å; I22-S24 PolarHBondContact O-N 3.33Å; S24-F27 WeakPolarHBondContact O-CD1 3.29Å
25G97.1Very high96.6Very high55 Ų5563.5 Ų63.557%0.56734%0.341SS*.Hα-helixtrans-83.8-37.3176.500000113.2A21 I22 C23A21-G25 PolarHBondContact O-N 3.11Å; I22-G25 PolarHBondContact O-N 3.11Å; I22-G25 VanDerWaalsContact O-N 3.13Å; C23-G25 VanDerWaalsContact C-N 3.35Å; C23-G25 PolarHBondContact O-N 2.89Å
26F97.7Very high96.2Very high72 Ų7267.4 Ų67.432%0.31635%0.352SS..Hα-helixtrans-105.516.4-171.5-73.1-92.4000113.9I22 R28 N29 V65 H67I22-F26 HydrophobicContact CG2-CD2 4.18Å; I22-F26 WeakPolarHBondContact O-CB 3.4Å; I22-F26 PolarHBondContact O-N 3.28Å; F26-R28 PolarHBondContact O-N 3.27Å; F26-N29 WeakPolarHBondContact O-CA 3.46Å; F26-N29 PolarHBondContact O-N 2.91Å; F26-V65 HydrophobicContact CB-CG1 3.52Å; F26-V65 WeakPolarHBondContact O-CG1 3.31Å; F26-H67 AromaticContact CE1-ND1 3.25Å; F26-H67 VanDerWaalsContact CE1-ND1 3.25Å; F26-H67 WeakPolarHBondContact CE1-ND1 3.23Å; F26-H67 AromaticContact CZ-CE1 3.94Å; F26-H67 AromaticContact CZ-ND1 3.35Å; F26-H67 VanDerWaalsContact CZ-ND1 3.35Å; F26-H67 WeakPolarHBondContact CZ-ND1 3.15Å
27F96.7Very high95.9Very high48 Ų4868 Ų6821%0.21136%0.355CS..THydrogen-bonded Turntrans-52.7-29.4-173.568.5-90.3000114.8C23 S24 N29 A30 L88 A92 F95 F96C23-F27 WeakPolarHBondContact O-CA 3.48Å; C23-F27 WeakPolarHBondContact O-CB 3.43Å; C23-F27 PolarHBondContact O-N 3.41Å; S24-F27 WeakPolarHBondContact O-CD1 3.29Å; F27-N29 VanDerWaalsContact C-N 3.35Å; F27-A30 WeakPolarHBondContact O-CB 3.45Å; F27-L88 HydrophobicContact CB-CD2 4.08Å; F27-A92 HydrophobicContact CB-CB 4.18Å; F27-A92 HydrophobicContact CD1-CB 4.23Å; F27-A92 HydrophobicContact CD2-CB 3.43Å; F27-A92 VanDerWaalsContact CD2-CB 3.43Å; F27-A92 HydrophobicContact CE2-CB 3.77Å; F27-A92 HydrophobicContact CG-CB 3.69Å; F27-A92 HydrophobicContact CZ-CB 4.3Å; F27-F95 HydrophobicContact CD2-CB 4.46Å; F27-F95 HydrophobicContact CD2-CD1 4.42Å; F27-F95 HydrophobicContact CD2-CG 4.39Å; F27-F95 HydrophobicContact CE2-CB 4.09Å; F27-F95 HydrophobicContact CE2-CD1 4.45Å; F27-F95 HydrophobicContact CE2-CD2 4.28Å; F27-F95 HydrophobicContact CE2-CG 4.02Å; F27-F96 HydrophobicContact CB-CE2 4.16Å; F27-F96 AromaticContact CD2-CE2 3.95Å; F27-F96 HydrophobicContact CD2-CE2 3.95Å; F27-F96 VanDerWaalsContact O-CE2 3.25Å; F27-F96 WeakPolarHBondContact O-CE2 3.24Å; F27-F96 WeakPolarHBondContact O-CZ 3.28Å
28R96.9Very high95.8Very high142 Ų14262.9 Ų62.954%0.53634%0.337SS..THydrogen-bonded Turntrans-69.6-31.5174.9-72.2-170.4-179.2-125.82.8112.9F26 A30 V43 F95F26-R28 PolarHBondContact O-N 3.27Å; R28-A30 PolarHBondContact O-N 2.67Å; R28-A30 VanDerWaalsContact O-N 3.09Å; R28-V43 HydrophobicContact CB-CG2 4.5Å; R28-V43 WeakPolarHBondContact O-CG2 3.37Å; R28-F95 HydrophobicContact CG-CZ 4.45Å
29N97.8Very high95.9Very high50 Ų5059.9 Ų59.927%0.26732%0.319SS..SBendtrans-88.944.3-178.9-62.56.1000110.6F26 F27 V65 Y66 H67F26-N29 WeakPolarHBondContact O-CA 3.46Å; F26-N29 PolarHBondContact O-N 2.91Å; F27-N29 VanDerWaalsContact C-N 3.35Å; N29-V65 HydrophobicContact CB-CG1 4.4Å; N29-V65 CarbonylContact O-C 3.49Å; N29-V65 VanDerWaalsContact O-CA 3.28Å; N29-V65 WeakPolarHBondContact O-CA 3.46Å; N29-V65 WeakPolarHBondContact O-CG1 3.45Å; N29-Y66 HydrophobicContact CB-CD1 4.35Å; N29-Y66 HydrophobicContact CB-CD2 3.87Å; N29-Y66 HydrophobicContact CB-CE1 4.16Å; N29-Y66 HydrophobicContact CB-CE2 3.65Å; N29-Y66 HydrophobicContact CB-CG 4.21Å; N29-Y66 WeakPolarHBondContact CB-O 3.45Å; N29-Y66 PolarHBondContact ND2-O 2.87Å; N29-Y66 WeakPolarHBondContact O-CD1 3Å; N29-Y66 WeakPolarHBondContact O-CE1 3.35Å; N29-Y66 PolarHBondContact O-N 3.33Å; N29-H67 PolarHBondContact ND2-O 2.87Å
30A98.1Very high95.9Very high0 Ų062.5 Ų62.50%033%0.327CS..EExtended strand (participates in β ladder)trans-98.9140.8-179.900000110.2F27 R28 L42 V64 L88F27-A30 WeakPolarHBondContact O-CB 3.45Å; R28-A30 PolarHBondContact O-N 2.67Å; R28-A30 VanDerWaalsContact O-N 3.09Å; A30-L42 HydrophobicContact CB-CD1 3.49Å; A30-L42 VanDerWaalsContact CB-CD1 3.49Å; A30-L42 HydrophobicContact CB-CG 4.23Å; A30-L42 PolarHBondContact O-N 3.17Å; A30-V64 WeakPolarHBondContact CA-O 3.38Å; A30-L88 HydrophobicContact CB-CD1 3.97Å; A30-L88 HydrophobicContact CB-CD2 3.87Å
31A98.1Very high95.9Very high0 Ų059.6 Ų59.60%032%0.315CS..EExtended strand (participates in β ladder)trans-133.1149.7176.400000111Y39 R40 V48 V64 Y66 M77A31-Y39 HydrophobicContact CB-CD1 4.44Å; A31-R40 CarbonylContact C-O 3.51Å; A31-R40 VanDerWaalsContact CA-O 3.23Å; A31-R40 WeakPolarHBondContact CA-O 3.26Å; A31-R40 WeakPolarHBondContact CB-O 3.08Å; A31-V48 HydrophobicContact CB-CG2 4.33Å; A31-V64 HydrophobicContact CB-CG2 3.86Å; A31-V64 PolarHBondContact N-O 2.94Å; A31-V64 PolarHBondContact O-N 2.77Å; A31-Y66 HydrophobicContact CB-CD1 4.27Å; A31-Y66 HydrophobicContact CB-CE1 4.11Å; A31-M77 HydrophobicContact CB-SD 3.74Å
32K97.3Very high95.8Very high78 Ų7859.3 Ų59.334%0.33931%0.305SS..EExtended strand (participates in β ladder)trans-117.6140.1177.1-171.9-166.1172.7-171.70109.2D34 Y39 R40 L42 E62 W63K32-D34 PolarHBondContact O-N 3.12Å; K32-Y39 VanDerWaalsContact C-CD1 3.43Å; K32-Y39 CarbonylContact O-C 3.57Å; K32-Y39 VanDerWaalsContact O-CA 3.31Å; K32-Y39 WeakPolarHBondContact O-CA 3.33Å; K32-R40 PolarHBondContact N-O 3.49Å; K32-R40 PolarHBondContact O-N 3.22Å; K32-L42 HydrophobicContact CB-CD2 4.31Å; K32-E62 WeakPolarHBondContact CA-O 3.28Å; K32-E62 WeakPolarHBondContact CE-OE1 3.18Å; K32-E62 IonicContact NZ-OE1 2.78Å; K32-W63 HydrophobicContact CB-CD2 4.38Å; K32-W63 HydrophobicContact CB-CE3 4.09Å; K32-W63 HydrophobicContact CB-CH2 4.3Å; K32-W63 HydrophobicContact CB-CZ3 4.06Å; K32-W63 HydrophobicContact CD-CH2 3.83Å; K32-W63 HydrophobicContact CD-CZ2 3.61Å; K32-W63 HydrophobicContact CD-CZ3 4.44Å; K32-W63 HydrophobicContact CG-CD2 4.05Å; K32-W63 HydrophobicContact CG-CE3 4.22Å; K32-W63 HydrophobicContact CG-CH2 4.1Å; K32-W63 HydrophobicContact CG-CZ2 3.9Å; K32-W63 HydrophobicContact CG-CZ3 4.27Å
33K97.5Very high95.7Very high66 Ų6658.9 Ų58.929%0.28731%0.305SS..EExtended strand (participates in β ladder)trans-56.8131.1173.3-159169.7-170.71730110.5Y39 Q60 E62K33-Y39 VanDerWaalsContact CA-CD1 3.49Å; K33-Y39 HydrophobicContact CB-CD1 4.1Å; K33-Y39 HydrophobicContact CB-CE1 3.77Å; K33-Y39 HydrophobicContact CG-CE1 4.19Å; K33-Y39 HydrophobicContact CG-CE2 4.32Å; K33-Y39 VanDerWaalsContact N-CD1 3.27Å; K33-Q60 PolarHBondContact NZ-O 3.39Å; K33-E62 PolarHBondContact N-O 2.94Å
34D94.6Very high95.5Very high29 Ų2963.9 Ų63.916%0.15533%0.332CS..  trans-86.9135.8175.2-167.1-69.1000108.7K32 Q36 E37 G38 R40K32-D34 PolarHBondContact O-N 3.12Å; D34-Q36 PolarHBondContact O-N 3.47Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.35Å; D34-Q36 PolarHBondContact OD1-N 3.31Å; D34-E37 WeakPolarHBondContact CB-O 3.38Å; D34-G38 PolarHBondContact N-O 3.36Å; D34-R40 HydrophobicContact CB-CG 4.4Å; D34-R40 VanDerWaalsContact OD2-CD 3.29Å; D34-R40 WeakPolarHBondContact OD2-CD 3.29Å; D34-R40 IonicContact OD2-CZ 3.71Å; D34-R40 IonicContact OD2-NE 3.88Å; D34-R40 PolarHBondContact OD2-NE 3.01Å
35P89.8Confident95.3Very high128 Ų12864.7 Ų64.783%0.83134%0.337SS*.SBendtrans-62.1-23.3178.2-2434.3000114.7
36Q86.8Confident95.2Very high179 Ų17965.6 Ų65.684%0.83633%0.327SS*.SBendtrans-89-63.7-179.7-65.1-177.8-20.800111.1D34D34-Q36 PolarHBondContact O-N 3.47Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.35Å; D34-Q36 PolarHBondContact OD1-N 3.31Å
37E89.4Confident95.1Very high107 Ų10765 Ų6550%0.533%0.332SS..SBendtrans-154.3133.6-178-161-172162.200111.6D34 Y49 K74D34-E37 WeakPolarHBondContact CB-O 3.38Å; E37-Y49 HydrophobicContact CG-CE1 3.97Å; E37-Y49 PolarHBondContact OE1-OH 2.89Å; E37-K74 IonicContact OE1-NZ 2.82Å; E37-K74 PolarHBondContact OE1-NZ 2.88Å
38G95.5Very high95.1Very high16 Ų1662.8 Ų62.817%0.16532%0.322CS..SBendtrans69.1-138.7172.200000113.7D34D34-G38 PolarHBondContact N-O 3.36Å
39Y98Very high95.2Very high2 Ų257.9 Ų57.91%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-132.8160.1-177.9-73.2-105.5000110.1A31 K32 K33 S47 V48 I50 Q60 P61 V64 M77A31-Y39 HydrophobicContact CB-CD1 4.44Å; K32-Y39 VanDerWaalsContact C-CD1 3.43Å; K32-Y39 CarbonylContact O-C 3.57Å; K32-Y39 VanDerWaalsContact O-CA 3.31Å; K32-Y39 WeakPolarHBondContact O-CA 3.33Å; K33-Y39 VanDerWaalsContact CA-CD1 3.49Å; K33-Y39 HydrophobicContact CB-CD1 4.1Å; K33-Y39 HydrophobicContact CB-CE1 3.77Å; K33-Y39 HydrophobicContact CG-CE1 4.19Å; K33-Y39 HydrophobicContact CG-CE2 4.32Å; K33-Y39 VanDerWaalsContact N-CD1 3.27Å; Y39-S47 WeakPolarHBondContact O-CA 3.32Å; Y39-V48 WeakPolarHBondContact CA-O 3.02Å; Y39-V48 WeakPolarHBondContact CB-O 3.37Å; Y39-V48 PolarHBondContact N-O 3.01Å; Y39-V48 PolarHBondContact O-N 3.41Å; Y39-I50 HydrophobicContact CD2-CG1 4.3Å; Y39-I50 HydrophobicContact CE2-CD1 3.68Å; Y39-I50 HydrophobicContact CE2-CG1 3.85Å; Y39-Q60 WeakPolarHBondContact OH-CB 3.47Å; Y39-P61 WeakPolarHBondContact CE1-O 3.28Å; Y39-P61 PolarHBondContact OH-O 3.25Å; Y39-V64 HydrophobicContact CD1-CG2 3.93Å; Y39-V64 HydrophobicContact CE1-CG1 4.15Å; Y39-V64 HydrophobicContact CE1-CG2 3.96Å; Y39-M77 HydrophobicContact CD1-CE 4.24Å; Y39-M77 HydrophobicContact CD2-CE 3.93Å; Y39-M77 HydrophobicContact CG-CE 3.74Å
40R96.7Very high95.2Very high96 Ų9655.8 Ų55.836%0.36229%0.293SS..EExtended strand (participates in β ladder)trans-119.5132.9167.2-78.3-173-175.5-118.71.3111.6A31 K32 D34 S45 Q46A31-R40 CarbonylContact C-O 3.51Å; A31-R40 VanDerWaalsContact CA-O 3.23Å; A31-R40 WeakPolarHBondContact CA-O 3.26Å; A31-R40 WeakPolarHBondContact CB-O 3.08Å; K32-R40 PolarHBondContact N-O 3.49Å; K32-R40 PolarHBondContact O-N 3.22Å; D34-R40 HydrophobicContact CB-CG 4.4Å; D34-R40 VanDerWaalsContact OD2-CD 3.29Å; D34-R40 WeakPolarHBondContact OD2-CD 3.29Å; D34-R40 IonicContact OD2-CZ 3.71Å; D34-R40 IonicContact OD2-NE 3.88Å; D34-R40 PolarHBondContact OD2-NE 3.01Å; R40-S45 PolarHBondContact NH1-O 3.23Å; R40-Q46 VanDerWaalsContact CA-O 3.26Å; R40-Q46 WeakPolarHBondContact CA-O 3.46Å
41T97.1Very high95.1Very high3 Ų358 Ų582%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-66142.317064.30000110.3S45 Q46 V48 Y66T41-S45 WeakPolarHBondContact O-CA 2.96Å; T41-S45 PolarHBondContact O-N 2.84Å; T41-S45 VanDerWaalsContact O-N 3.08Å; T41-S45 PolarHBondContact OG1-N 2.92Å; T41-Q46 HydrophobicContact CG2-CB 4.31Å; T41-Q46 PolarHBondContact N-O 2.63Å; T41-Q46 PolarHBondContact OG1-N 2.92Å; T41-V48 HydrophobicContact CG2-CB 4.49Å; T41-V48 HydrophobicContact CG2-CG1 3.79Å; T41-V48 HydrophobicContact CG2-CG2 3.82Å; T41-Y66 HydrophobicContact CG2-CE1 4.09Å; T41-Y66 WeakPolarHBondContact CG2-OH 3.25Å
42L95.1Very high95Very high54 Ų5461.4 Ų61.428%0.28333%0.325SS..THydrogen-bonded Turntrans-75.5-26.7-177.3-68.6177.4000113.3A30 K32 W63 L88 F96A30-L42 HydrophobicContact CB-CD1 3.49Å; A30-L42 VanDerWaalsContact CB-CD1 3.49Å; A30-L42 HydrophobicContact CB-CG 4.23Å; A30-L42 PolarHBondContact O-N 3.17Å; K32-L42 HydrophobicContact CB-CD2 4.31Å; L42-W63 HydrophobicContact CD1-CE3 4.33Å; L42-W63 HydrophobicContact CD1-CZ3 3.74Å; L42-W63 HydrophobicContact CD2-CH2 4.3Å; L42-W63 HydrophobicContact CD2-CZ3 3.76Å; L42-W63 HydrophobicContact CG-CZ3 4.3Å; L42-L88 HydrophobicContact CD1-CD1 3.88Å; L42-F96 HydrophobicContact CB-CE1 4.09Å; L42-F96 HydrophobicContact CB-CZ 4.43Å; L42-F96 HydrophobicContact CD1-CE1 3.86Å; L42-F96 HydrophobicContact CD1-CZ 4Å
43V94Very high95Very high58 Ų5861.5 Ų61.535%0.35234%0.336SS..THydrogen-bonded Turntrans-83.7-56.2-176.6-176.30000110.2R28 F95R28-V43 HydrophobicContact CB-CG2 4.5Å; R28-V43 WeakPolarHBondContact O-CG2 3.37Å; V43-F95 HydrophobicContact CG1-CZ 4.49Å; V43-F95 HydrophobicContact CG2-CE1 4.03Å; V43-F95 HydrophobicContact CG2-CZ 3.85Å
44D92.9Very high94.9Very high105 Ų10559.4 Ų59.456%0.56133%0.329SS*.THydrogen-bonded Turntrans-102.6-4.5-170.9-56.5-53000113.5Q46D44-Q46 HydrophobicContact CB-CG 3.78Å; D44-Q46 PolarHBondContact O-N 3.21Å; D44-Q46 VanDerWaalsContact O-N 3.16Å
45S93.3Very high94.9Very high70 Ų7063.1 Ų63.149%0.4936%0.357SS..  trans56.126.7-175.9-58.80000113.8R40 T41R40-S45 PolarHBondContact NH1-O 3.23Å; T41-S45 WeakPolarHBondContact O-CA 2.96Å; T41-S45 PolarHBondContact O-N 2.84Å; T41-S45 VanDerWaalsContact O-N 3.08Å; T41-S45 PolarHBondContact OG1-N 2.92Å
46Q94.8Very high95.2Very high74 Ų7458.6 Ų58.635%0.34633%0.326SS..  trans-74.4142.4178.9-72.1173.6-31.900111R40 T41 D44 V48R40-Q46 VanDerWaalsContact CA-O 3.26Å; R40-Q46 WeakPolarHBondContact CA-O 3.46Å; T41-Q46 HydrophobicContact CG2-CB 4.31Å; T41-Q46 PolarHBondContact N-O 2.63Å; T41-Q46 PolarHBondContact OG1-N 2.92Å; D44-Q46 HydrophobicContact CB-CG 3.78Å; D44-Q46 PolarHBondContact O-N 3.21Å; D44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-V48 HydrophobicContact CB-CG1 4.38Å; Q46-V48 PolarHBondContact O-N 3.23Å
47S96.6Very high95.6Very high61 Ų6154.2 Ų54.243%0.42730%0.304SS..EExtended strand (participates in β ladder)trans-80.8116176.9-176.20000109.7Y39Y39-S47 WeakPolarHBondContact O-CA 3.32Å
48V97.7Very high95.8Very high0 Ų057.4 Ų57.40%032%0.319CS..EExtended strand (participates in β ladder)trans-133158.4-174.1-62.50000110.7A31 Y39 T41 Q46 L69 E75 M77A31-V48 HydrophobicContact CB-CG2 4.33Å; Y39-V48 WeakPolarHBondContact CA-O 3.02Å; Y39-V48 WeakPolarHBondContact CB-O 3.37Å; Y39-V48 PolarHBondContact N-O 3.01Å; Y39-V48 PolarHBondContact O-N 3.41Å; T41-V48 HydrophobicContact CG2-CB 4.49Å; T41-V48 HydrophobicContact CG2-CG1 3.79Å; T41-V48 HydrophobicContact CG2-CG2 3.82Å; Q46-V48 HydrophobicContact CB-CG1 4.38Å; Q46-V48 PolarHBondContact O-N 3.23Å; V48-L69 HydrophobicContact CB-CD2 4.2Å; V48-L69 HydrophobicContact CG1-CD1 4.34Å; V48-L69 HydrophobicContact CG1-CD2 3.77Å; V48-E75 WeakPolarHBondContact CA-O 3.28Å; V48-E75 HydrophobicContact CG1-CB 4.07Å; V48-M77 HydrophobicContact CB-CG 4.14Å; V48-M77 HydrophobicContact CB-SD 4.48Å; V48-M77 HydrophobicContact CG2-CE 3.92Å; V48-M77 HydrophobicContact CG2-CG 4Å; V48-M77 HydrophobicContact CG2-SD 3.71Å
49Y97.7Very high95.8Very high40 Ų4063.6 Ų63.616%0.15734%0.344CS..EExtended strand (participates in β ladder)trans-129.3150.6-175-62.9-98.8000110.6E37 H51 K74 E75 Y76 M77E37-Y49 HydrophobicContact CG-CE1 3.97Å; E37-Y49 PolarHBondContact OE1-OH 2.89Å; Y49-H51 PolarHBondContact O-N 2.88Å; Y49-K74 HydrophobicContact CD1-CD 4.29Å; Y49-K74 HydrophobicContact CD2-CB 3.84Å; Y49-K74 HydrophobicContact CD2-CD 3.95Å; Y49-K74 HydrophobicContact CD2-CG 4.33Å; Y49-K74 HydrophobicContact CE1-CD 4.06Å; Y49-K74 HydrophobicContact CE2-CB 4.1Å; Y49-K74 HydrophobicContact CE2-CD 3.76Å; Y49-K74 HydrophobicContact CE2-CG 4.17Å; Y49-K74 HydrophobicContact CG-CD 4.24Å; Y49-E75 PolarHBondContact N-O 2.92Å; Y49-Y76 CarbonylContact O-C 3.58Å; Y49-Y76 VanDerWaalsContact O-CA 3.29Å; Y49-Y76 WeakPolarHBondContact O-CA 3.02Å; Y49-M77 PolarHBondContact O-N 2.85Å
50I97.7Very high95.6Very high6 Ų667.2 Ų67.23%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-70.7129.4169.5-65.6176.1000108Y39 S54 L56 F57 Q60 M77 V80Y39-I50 HydrophobicContact CD2-CG1 4.3Å; Y39-I50 HydrophobicContact CE2-CD1 3.68Å; Y39-I50 HydrophobicContact CE2-CG1 3.85Å; I50-S54 VanDerWaalsContact CG2-CB 3.49Å; I50-L56 HydrophobicContact CD1-CB 4.41Å; I50-F57 HydrophobicContact CG2-CB 4.33Å; I50-F57 HydrophobicContact CG2-CD2 4.38Å; I50-Q60 HydrophobicContact CD1-CG 4.23Å; I50-M77 HydrophobicContact CG1-CE 3.81Å; I50-V80 HydrophobicContact CD1-CG1 4.48Å; I50-V80 HydrophobicContact CG1-CG1 4.48Å; I50-V80 HydrophobicContact CG1-CG2 4.48Å; I50-V80 HydrophobicContact CG2-CG2 4.39Å
51H97.2Very high95.5Very high47 Ų4764.3 Ų64.322%0.21835%0.354CS..  trans-60138.1177.6-171.2-95.5000111.2Y49 S53 S54 M77 R78Y49-H51 PolarHBondContact O-N 2.88Å; H51-S53 PolarHBondContact CE1-OG 2.8Å; H51-S53 VanDerWaalsContact CE1-OG 3.31Å; H51-S53 WeakPolarHBondContact ND1-CB 3.48Å; H51-S53 PolarHBondContact ND1-N 2.96Å; H51-S53 VanDerWaalsContact ND1-N 3.18Å; H51-S53 PolarHBondContact ND1-OG 2.95Å; H51-S53 PolarHBondContact O-N 3.13Å; H51-S53 VanDerWaalsContact O-N 3.07Å; H51-S54 WeakPolarHBondContact O-CB 3.41Å; H51-S54 PolarHBondContact O-N 3.03Å; H51-M77 VanDerWaalsContact CB-O 3.29Å; H51-M77 WeakPolarHBondContact CB-O 3.13Å; H51-M77 PolarHBondContact N-O 3.42Å; H51-M77 VanDerWaalsContact N-O 3.09Å; H51-R78 HydrophobicContact CB-CG 4.45Å; H51-R78 PolarHBondContact CE1-NH1 2.9Å; H51-R78 PolarHBondContact ND1-NH1 2.86Å
52P96Very high95.5Very high70 Ų7068.5 Ų68.546%0.45537%0.374SS..THydrogen-bonded Turntrans-57.1-26.2-177.5-2835.6000115.5S54 F57P52-S54 VanDerWaalsContact C-N 3.27Å; P52-S54 PolarHBondContact O-N 3.29Å; P52-F57 HydrophobicContact CB-CD2 4.47Å; P52-F57 HydrophobicContact CB-CE2 4.29Å; P52-F57 HydrophobicContact CB-CZ 4.32Å; P52-F57 HydrophobicContact CG-CE2 4.2Å; P52-F57 HydrophobicContact CG-CZ 4.43Å
53S95.5Very high95.7Very high81 Ų8168.9 Ų68.957%0.56637%0.371SS*.THydrogen-bonded Turntrans-79.8-3.8176.3780000114.3H51 R78H51-S53 PolarHBondContact CE1-OG 2.8Å; H51-S53 VanDerWaalsContact CE1-OG 3.31Å; H51-S53 WeakPolarHBondContact ND1-CB 3.48Å; H51-S53 PolarHBondContact ND1-N 2.96Å; H51-S53 VanDerWaalsContact ND1-N 3.18Å; H51-S53 PolarHBondContact ND1-OG 2.95Å; H51-S53 PolarHBondContact O-N 3.13Å; H51-S53 VanDerWaalsContact O-N 3.07Å; S53-R78 PolarHBondContact OG-NH1 3.47Å
54S96.2Very high95.9Very high22 Ų2266.1 Ų66.115%0.15435%0.354CS..SBendtrans-73.5142.6-179.8-177.80000110.9I50 H51 P52 L56 F57I50-S54 VanDerWaalsContact CG2-CB 3.49Å; H51-S54 WeakPolarHBondContact O-CB 3.41Å; H51-S54 PolarHBondContact O-N 3.03Å; P52-S54 VanDerWaalsContact C-N 3.27Å; P52-S54 PolarHBondContact O-N 3.29Å; S54-L56 PolarHBondContact O-N 3.33Å; S54-L56 PolarHBondContact OG-N 3.33Å; S54-F57 VanDerWaalsContact O-CB 3.28Å; S54-F57 WeakPolarHBondContact O-CB 3.34Å; S54-F57 PolarHBondContact O-N 3.06Å
55S95.7Very high96.1Very high107 Ų10761.2 Ų61.275%0.74833%0.328SS*.THydrogen-bonded Turntrans-59.6-23170.554.90000113.2
56L95.7Very high96.3Very high33 Ų3358.6 Ų58.617%0.17331%0.308CS..THydrogen-bonded Turntrans-91.22.8177.7-65.3179.9000113.8I50 S54 Q58 H59 P61 V80I50-L56 HydrophobicContact CD1-CB 4.41Å; S54-L56 PolarHBondContact O-N 3.33Å; S54-L56 PolarHBondContact OG-N 3.33Å; L56-Q58 VanDerWaalsContact C-N 3.31Å; L56-Q58 PolarHBondContact O-N 3.25Å; L56-H59 CarbonylContact O-C 3.55Å; L56-H59 PolarHBondContact O-N 3.17Å; L56-H59 VanDerWaalsContact O-O 3.06Å; L56-P61 HydrophobicContact CD1-CG 4.44Å; L56-V80 HydrophobicContact CD1-CB 4.13Å; L56-V80 HydrophobicContact CD1-CG1 3.94Å; L56-V80 VanDerWaalsContact CD1-O 3.29Å; L56-V80 WeakPolarHBondContact CD1-O 3.45Å
57F95.5Very high96.5Very high86 Ų8659.9 Ų59.938%0.37731%0.314SS..SBendtrans-61.3-39.4-176.5-176.7-108.9000112.8I50 P52 S54 Q60I50-F57 HydrophobicContact CG2-CB 4.33Å; I50-F57 HydrophobicContact CG2-CD2 4.38Å; P52-F57 HydrophobicContact CB-CD2 4.47Å; P52-F57 HydrophobicContact CB-CE2 4.29Å; P52-F57 HydrophobicContact CB-CZ 4.32Å; P52-F57 HydrophobicContact CG-CE2 4.2Å; P52-F57 HydrophobicContact CG-CZ 4.43Å; S54-F57 VanDerWaalsContact O-CB 3.28Å; S54-F57 WeakPolarHBondContact O-CB 3.34Å; S54-F57 PolarHBondContact O-N 3.06Å; F57-Q60 VanDerWaalsContact O-CG 3.28Å; F57-Q60 WeakPolarHBondContact O-CG 3.34Å; F57-Q60 PolarHBondContact O-NE2 3.14Å
58Q93.2Very high96.5Very high174 Ų17461.2 Ų61.281%0.81331%0.313SS*.SBendtrans-85.3-28.9177.7-62.6-164.448.600113.2L56L56-Q58 VanDerWaalsContact C-N 3.31Å; L56-Q58 PolarHBondContact O-N 3.25Å
59H94.2Very high96.5Very high147 Ų14764 Ų6468%0.68133%0.328SS*.SBendtrans-113.384179.6-64.2-66.9000109.2L56 P61L56-H59 CarbonylContact O-C 3.55Å; L56-H59 PolarHBondContact O-N 3.17Å; L56-H59 VanDerWaalsContact O-O 3.06Å; H59-P61 WeakPolarHBondContact O-CD 3.25Å
60Q93.9Very high96.5Very high77 Ų7764.6 Ų64.636%0.3634%0.336SS..  trans-8997.2-170.8-65.8-173.38.400112.1K33 Y39 I50 F57K33-Q60 PolarHBondContact NZ-O 3.39Å; Y39-Q60 WeakPolarHBondContact OH-CB 3.47Å; I50-Q60 HydrophobicContact CD1-CG 4.23Å; F57-Q60 VanDerWaalsContact O-CG 3.28Å; F57-Q60 WeakPolarHBondContact O-CG 3.34Å; F57-Q60 PolarHBondContact O-NE2 3.14Å
61P96.4Very high96.4Very high35 Ų3570.7 Ų70.723%0.22737%0.365CS..  trans-70.4157.7-179.834.1-39.9000111.5Y39 L56 H59 W63 V64 A82Y39-P61 WeakPolarHBondContact CE1-O 3.28Å; Y39-P61 PolarHBondContact OH-O 3.25Å; L56-P61 HydrophobicContact CD1-CG 4.44Å; H59-P61 WeakPolarHBondContact O-CD 3.25Å; P61-W63 VanDerWaalsContact C-N 3.33Å; P61-W63 PolarHBondContact O-N 3.38Å; P61-V64 HydrophobicContact CG-CG1 3.46Å; P61-V64 VanDerWaalsContact CG-CG1 3.46Å; P61-A82 HydrophobicContact CB-CB 4Å; P61-A82 HydrophobicContact CG-CB 3.79Å
62E97.2Very high96.3Very high92 Ų9272 Ų7243%0.4338%0.377SS..SBendtrans-64.2-36.5-178.2-177.768-17300113.1K32 K33K32-E62 WeakPolarHBondContact CA-O 3.28Å; K32-E62 WeakPolarHBondContact CE-OE1 3.18Å; K32-E62 IonicContact NZ-OE1 2.78Å; K33-E62 PolarHBondContact N-O 2.94Å
63W97.7Very high96.3Very high61 Ų6175.7 Ų75.723%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-126.9132.1-176.5-67.587.5000110.3K32 L42 P61 V83 P85 L88K32-W63 HydrophobicContact CB-CD2 4.38Å; K32-W63 HydrophobicContact CB-CE3 4.09Å; K32-W63 HydrophobicContact CB-CH2 4.3Å; K32-W63 HydrophobicContact CB-CZ3 4.06Å; K32-W63 HydrophobicContact CD-CH2 3.83Å; K32-W63 HydrophobicContact CD-CZ2 3.61Å; K32-W63 HydrophobicContact CD-CZ3 4.44Å; K32-W63 HydrophobicContact CG-CD2 4.05Å; K32-W63 HydrophobicContact CG-CE3 4.22Å; K32-W63 HydrophobicContact CG-CH2 4.1Å; K32-W63 HydrophobicContact CG-CZ2 3.9Å; K32-W63 HydrophobicContact CG-CZ3 4.27Å; L42-W63 HydrophobicContact CD1-CE3 4.33Å; L42-W63 HydrophobicContact CD1-CZ3 3.74Å; L42-W63 HydrophobicContact CD2-CH2 4.3Å; L42-W63 HydrophobicContact CD2-CZ3 3.76Å; L42-W63 HydrophobicContact CG-CZ3 4.3Å; P61-W63 VanDerWaalsContact C-N 3.33Å; P61-W63 PolarHBondContact O-N 3.38Å; W63-V83 HydrophobicContact CB-CG2 4.29Å; W63-V83 VanDerWaalsContact CB-O 3.29Å; W63-V83 WeakPolarHBondContact CB-O 3.4Å; W63-V83 PolarHBondContact O-N 3.07Å; W63-V83 VanDerWaalsContact O-N 3.11Å; W63-P85 HydrophobicContact CD2-CB 3.91Å; W63-P85 HydrophobicContact CD2-CG 4.37Å; W63-P85 HydrophobicContact CE3-CB 4.23Å; W63-P85 HydrophobicContact CG-CB 4.34Å; W63-P85 HydrophobicContact CG-CG 4.4Å; W63-P85 HydrophobicContact CH2-CB 4.34Å; W63-P85 HydrophobicContact CZ2-CB 4.03Å; W63-P85 HydrophobicContact CZ3-CB 4.41Å; W63-L88 HydrophobicContact CE3-CD1 4.2Å; W63-L88 HydrophobicContact CZ3-CD1 4.37Å
64V98.2Very high96.2Very high0 Ų075.6 Ų75.60%039%0.388CS..EExtended strand (participates in β ladder)trans-137.5158.7-178.6-62.70000111.9A30 A31 Y39 P61 M77 V80 C81A30-V64 WeakPolarHBondContact CA-O 3.38Å; A31-V64 HydrophobicContact CB-CG2 3.86Å; A31-V64 PolarHBondContact N-O 2.94Å; A31-V64 PolarHBondContact O-N 2.77Å; Y39-V64 HydrophobicContact CD1-CG2 3.93Å; Y39-V64 HydrophobicContact CE1-CG1 4.15Å; Y39-V64 HydrophobicContact CE1-CG2 3.96Å; P61-V64 HydrophobicContact CG-CG1 3.46Å; P61-V64 VanDerWaalsContact CG-CG1 3.46Å; V64-M77 HydrophobicContact CG2-CE 4.18Å; V64-M77 HydrophobicContact CG2-SD 4.06Å; V64-V80 HydrophobicContact CB-CG1 3.54Å; V64-V80 HydrophobicContact CG1-CG1 3.61Å; V64-V80 HydrophobicContact CG2-CG1 4.02Å; V64-C81 CarbonylContact C-O 3.22Å; V64-C81 VanDerWaalsContact CA-O 3.26Å; V64-C81 WeakPolarHBondContact CA-O 3.47Å
65V98.1Very high96.3Very high2 Ų276.5 Ų76.51%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-119.9145.3162.8-146.80000107.9F26 N29 V80 C81 V83F26-V65 HydrophobicContact CB-CG1 3.52Å; F26-V65 WeakPolarHBondContact O-CG1 3.31Å; N29-V65 HydrophobicContact CB-CG1 4.4Å; N29-V65 CarbonylContact O-C 3.49Å; N29-V65 VanDerWaalsContact O-CA 3.28Å; N29-V65 WeakPolarHBondContact O-CA 3.46Å; N29-V65 WeakPolarHBondContact O-CG1 3.45Å; V65-V80 WeakPolarHBondContact O-CA 3.43Å; V65-C81 PolarHBondContact N-O 2.89Å; V65-C81 PolarHBondContact O-N 3.46Å; V65-V83 HydrophobicContact CG2-CB 3.96Å; V65-V83 HydrophobicContact CG2-CG1 3.33Å; V65-V83 HydrophobicContact CG2-CG2 3.42Å; V65-V83 VanDerWaalsContact CG2-CG2 3.42Å
66Y98.1Very high96.4Very high15 Ų1573.7 Ų73.76%0.05936%0.363CS..EExtended strand (participates in β ladder)trans-125.4153.1-178.858.2-92.6000111.5N29 A31 T41 L69 M77N29-Y66 HydrophobicContact CB-CD1 4.35Å; N29-Y66 HydrophobicContact CB-CD2 3.87Å; N29-Y66 HydrophobicContact CB-CE1 4.16Å; N29-Y66 HydrophobicContact CB-CE2 3.65Å; N29-Y66 HydrophobicContact CB-CG 4.21Å; N29-Y66 WeakPolarHBondContact CB-O 3.45Å; N29-Y66 PolarHBondContact ND2-O 2.87Å; N29-Y66 WeakPolarHBondContact O-CD1 3Å; N29-Y66 WeakPolarHBondContact O-CE1 3.35Å; N29-Y66 PolarHBondContact O-N 3.33Å; A31-Y66 HydrophobicContact CB-CD1 4.27Å; A31-Y66 HydrophobicContact CB-CE1 4.11Å; T41-Y66 HydrophobicContact CG2-CE1 4.09Å; T41-Y66 WeakPolarHBondContact CG2-OH 3.25Å; Y66-L69 HydrophobicContact CD2-CD2 4.14Å; Y66-L69 HydrophobicContact CD2-CG 4.07Å; Y66-L69 HydrophobicContact CE2-CD1 3.97Å; Y66-L69 HydrophobicContact CE2-CD2 3.95Å; Y66-L69 HydrophobicContact CE2-CG 3.58Å; Y66-M77 HydrophobicContact CD1-CG 3.84Å; Y66-M77 HydrophobicContact CD1-SD 3.45Å; Y66-M77 WeakPolarHBondContact CD1-SD 3.11Å; Y66-M77 HydrophobicContact CD2-CG 4.47Å; Y66-M77 HydrophobicContact CE1-CG 4.49Å; Y66-M77 HydrophobicContact CE1-SD 4.13Å; Y66-M77 HydrophobicContact CG-CB 4.24Å; Y66-M77 HydrophobicContact CG-CG 3.84Å; Y66-M77 HydrophobicContact CG-SD 4.01Å
67H97.9Very high96.5Very high101 Ų10172.1 Ų72.147%0.46835%0.354SS..EExtended strand (participates in β ladder)trans-79.9-49.4175.8-175.761.2000111.4F26 N29 R78 E79F26-H67 AromaticContact CE1-ND1 3.25Å; F26-H67 VanDerWaalsContact CE1-ND1 3.25Å; F26-H67 WeakPolarHBondContact CE1-ND1 3.23Å; F26-H67 AromaticContact CZ-CE1 3.94Å; F26-H67 AromaticContact CZ-ND1 3.35Å; F26-H67 VanDerWaalsContact CZ-ND1 3.35Å; F26-H67 WeakPolarHBondContact CZ-ND1 3.15Å; N29-H67 PolarHBondContact ND2-O 2.87Å; H67-R78 PolarHBondContact N-O 3.28Å; H67-R78 VanDerWaalsContact N-O 3.14Å; H67-E79 HydrophobicContact CB-CB 3.69Å; H67-E79 HydrophobicContact CB-CG 4.34Å; H67-E79 PolarHBondContact N-O 3.16Å
68E97Very high96.6Very high89 Ų8971.6 Ų71.642%0.41635%0.35SS..EExtended strand (participates in β ladder)trans-143.8160.4-175.366179.417600111.9V70 R78E68-V70 HydrophobicContact CG-CG2 4.49Å; E68-R78 HydrophobicContact CG-CB 3.64Å; E68-R78 HydrophobicContact CG-CG 4.22Å; E68-R78 PolarHBondContact O-N 3.09Å
69L97.3Very high96.8Very high59 Ų5969.6 Ų69.631%0.30934%0.341SS..EExtended strand (participates in β ladder)trans-111.1132.2169.6-69.2173.4000109.2V48 Y66 Y76 M77V48-L69 HydrophobicContact CB-CD2 4.2Å; V48-L69 HydrophobicContact CG1-CD1 4.34Å; V48-L69 HydrophobicContact CG1-CD2 3.77Å; Y66-L69 HydrophobicContact CD2-CD2 4.14Å; Y66-L69 HydrophobicContact CD2-CG 4.07Å; Y66-L69 HydrophobicContact CE2-CD1 3.97Å; Y66-L69 HydrophobicContact CE2-CD2 3.95Å; Y66-L69 HydrophobicContact CE2-CG 3.58Å; L69-Y76 WeakPolarHBondContact CA-O 3.45Å; L69-M77 HydrophobicContact CD2-CB 4.38Å; L69-M77 HydrophobicContact CD2-CG 3.56Å
70V97.4Very high96.9Very high53 Ų5363.3 Ų63.332%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-112.3114.4175.6-175.90000108.6E68 T72 Y76 R78E68-V70 HydrophobicContact CG-CG2 4.49Å; V70-T72 HydrophobicContact CG1-CG2 4.03Å; V70-Y76 PolarHBondContact N-O 3.13Å; V70-Y76 PolarHBondContact O-N 3.48Å; V70-R78 HydrophobicContact CG2-CG 3.71Å
71M96.3Very high97.1Very high133 Ų13360.7 Ų60.766%0.65530%0.303SS*.EExtended strand (participates in β ladder)trans-76.2123.1175.5178.865.183.900110.2E75M71-E75 HydrophobicContact CE-CG 3.65Å; M71-E75 WeakPolarHBondContact CE-OE1 3.16Å; M71-E75 HydrophobicContact SD-CG 3.55Å; M71-E75 VanDerWaalsContact SD-CG 3.55Å
72T95.2Very high97.2Very high76 Ų7660.3 Ų60.347%0.46630%0.303SS..SBendtrans-138.1-130.8173.667.10000109.8V70 K74 Y76V70-T72 HydrophobicContact CG1-CG2 4.03Å; T72-K74 PolarHBondContact N-O 3.39Å; T72-K74 PolarHBondContact OG1-N 3.09Å; T72-K74 PolarHBondContact OG1-O 3.38Å; T72-Y76 WeakPolarHBondContact OG1-CD2 3.42Å; T72-Y76 VanDerWaalsContact OG1-CE2 3.27Å; T72-Y76 WeakPolarHBondContact OG1-CE2 3.29Å
73T95Very high97.2Very high146 Ų14656.6 Ų56.690%0.89629%0.286SS*.SBendtrans-70.8-32.9164.9-1.70000112.1
74K95Very high97.1Very high79 Ų7957.6 Ų57.634%0.34329%0.293SS..SBendtrans-127.1152.1167.7-66-175.7172.1-162.50107.5E37 Y49 T72 Y76E37-K74 IonicContact OE1-NZ 2.82Å; E37-K74 PolarHBondContact OE1-NZ 2.88Å; Y49-K74 HydrophobicContact CD1-CD 4.29Å; Y49-K74 HydrophobicContact CD2-CB 3.84Å; Y49-K74 HydrophobicContact CD2-CD 3.95Å; Y49-K74 HydrophobicContact CD2-CG 4.33Å; Y49-K74 HydrophobicContact CE1-CD 4.06Å; Y49-K74 HydrophobicContact CE2-CB 4.1Å; Y49-K74 HydrophobicContact CE2-CD 3.76Å; Y49-K74 HydrophobicContact CE2-CG 4.17Å; Y49-K74 HydrophobicContact CG-CD 4.24Å; T72-K74 PolarHBondContact N-O 3.39Å; T72-K74 PolarHBondContact OG1-N 3.09Å; T72-K74 PolarHBondContact OG1-O 3.38Å; K74-Y76 HydrophobicContact CB-CE1 4.46Å; K74-Y76 HydrophobicContact CB-CE2 3.94Å; K74-Y76 WeakPolarHBondContact O-CD2 3.4Å; K74-Y76 WeakPolarHBondContact O-CE2 3.29Å; K74-Y76 PolarHBondContact O-N 3.1Å
75E97.1Very high97Very high41 Ų4159.8 Ų59.819%0.19231%0.307CS..EExtended strand (participates in β ladder)trans-76.2122.6171.8-75.2-177.1161.100109.7V48 Y49 M71V48-E75 WeakPolarHBondContact CA-O 3.28Å; V48-E75 HydrophobicContact CG1-CB 4.07Å; Y49-E75 PolarHBondContact N-O 2.92Å; M71-E75 HydrophobicContact CE-CG 3.65Å; M71-E75 WeakPolarHBondContact CE-OE1 3.16Å; M71-E75 HydrophobicContact SD-CG 3.55Å; M71-E75 VanDerWaalsContact SD-CG 3.55Å
76Y97.9Very high96.9Very high48 Ų4865.8 Ų65.819%0.18833%0.333CS..EExtended strand (participates in β ladder)trans-112.6131-177.7-69.4-74.1000112.2Y49 L69 V70 T72 K74Y49-Y76 CarbonylContact O-C 3.58Å; Y49-Y76 VanDerWaalsContact O-CA 3.29Å; Y49-Y76 WeakPolarHBondContact O-CA 3.02Å; L69-Y76 WeakPolarHBondContact CA-O 3.45Å; V70-Y76 PolarHBondContact N-O 3.13Å; V70-Y76 PolarHBondContact O-N 3.48Å; T72-Y76 WeakPolarHBondContact OG1-CD2 3.42Å; T72-Y76 VanDerWaalsContact OG1-CE2 3.27Å; T72-Y76 WeakPolarHBondContact OG1-CE2 3.29Å; K74-Y76 HydrophobicContact CB-CE1 4.46Å; K74-Y76 HydrophobicContact CB-CE2 3.94Å; K74-Y76 WeakPolarHBondContact O-CD2 3.4Å; K74-Y76 WeakPolarHBondContact O-CE2 3.29Å; K74-Y76 PolarHBondContact O-N 3.1Å
77M98.2Very high96.9Very high0 Ų065.4 Ų65.40%033%0.332CS..EExtended strand (participates in β ladder)trans-76.7132.4168.1-64.5178.3-7000110.5A31 Y39 V48 Y49 I50 H51 V64 Y66 L69 V80A31-M77 HydrophobicContact CB-SD 3.74Å; Y39-M77 HydrophobicContact CD1-CE 4.24Å; Y39-M77 HydrophobicContact CD2-CE 3.93Å; Y39-M77 HydrophobicContact CG-CE 3.74Å; V48-M77 HydrophobicContact CB-CG 4.14Å; V48-M77 HydrophobicContact CB-SD 4.48Å; V48-M77 HydrophobicContact CG2-CE 3.92Å; V48-M77 HydrophobicContact CG2-CG 4Å; V48-M77 HydrophobicContact CG2-SD 3.71Å; Y49-M77 PolarHBondContact O-N 2.85Å; I50-M77 HydrophobicContact CG1-CE 3.81Å; H51-M77 VanDerWaalsContact CB-O 3.29Å; H51-M77 WeakPolarHBondContact CB-O 3.13Å; H51-M77 PolarHBondContact N-O 3.42Å; H51-M77 VanDerWaalsContact N-O 3.09Å; V64-M77 HydrophobicContact CG2-CE 4.18Å; V64-M77 HydrophobicContact CG2-SD 4.06Å; Y66-M77 HydrophobicContact CD1-CG 3.84Å; Y66-M77 HydrophobicContact CD1-SD 3.45Å; Y66-M77 WeakPolarHBondContact CD1-SD 3.11Å; Y66-M77 HydrophobicContact CD2-CG 4.47Å; Y66-M77 HydrophobicContact CE1-CG 4.49Å; Y66-M77 HydrophobicContact CE1-SD 4.13Å; Y66-M77 HydrophobicContact CG-CB 4.24Å; Y66-M77 HydrophobicContact CG-CG 3.84Å; Y66-M77 HydrophobicContact CG-SD 4.01Å; L69-M77 HydrophobicContact CD2-CB 4.38Å; L69-M77 HydrophobicContact CD2-CG 3.56Å; M77-V80 HydrophobicContact CB-CG2 3.77Å
78R97.3Very high96.9Very high76 Ų7660.8 Ų60.829%0.28731%0.31SS..EExtended strand (participates in β ladder)trans-115.3153.7173.5-62.3-81.7-68.6-151.8-1.5110.6H51 S53 H67 E68 V70H51-R78 HydrophobicContact CB-CG 4.45Å; H51-R78 PolarHBondContact CE1-NH1 2.9Å; H51-R78 PolarHBondContact ND1-NH1 2.86Å; S53-R78 PolarHBondContact OG-NH1 3.47Å; H67-R78 PolarHBondContact N-O 3.28Å; H67-R78 VanDerWaalsContact N-O 3.14Å; E68-R78 HydrophobicContact CG-CB 3.64Å; E68-R78 HydrophobicContact CG-CG 4.22Å; E68-R78 PolarHBondContact O-N 3.09Å; V70-R78 HydrophobicContact CG2-CG 3.71Å
79E97.3Very high96.8Very high132 Ų13258 Ų5862%0.61730%0.299SS*.EExtended strand (participates in β ladder)trans48.667.5-173.9-54-51.4138.600112.2H67H67-E79 HydrophobicContact CB-CB 3.69Å; H67-E79 HydrophobicContact CB-CG 4.34Å; H67-E79 PolarHBondContact N-O 3.16Å
80V97.6Very high96.8Very high14 Ų1460 Ų609%0.08531%0.307CS..EExtended strand (participates in β ladder)trans-90.8133.9-173.7-171.30000110.1I50 L56 V64 V65 M77I50-V80 HydrophobicContact CD1-CG1 4.48Å; I50-V80 HydrophobicContact CG1-CG1 4.48Å; I50-V80 HydrophobicContact CG1-CG2 4.48Å; I50-V80 HydrophobicContact CG2-CG2 4.39Å; L56-V80 HydrophobicContact CD1-CB 4.13Å; L56-V80 HydrophobicContact CD1-CG1 3.94Å; L56-V80 VanDerWaalsContact CD1-O 3.29Å; L56-V80 WeakPolarHBondContact CD1-O 3.45Å; V64-V80 HydrophobicContact CB-CG1 3.54Å; V64-V80 HydrophobicContact CG1-CG1 3.61Å; V64-V80 HydrophobicContact CG2-CG1 4.02Å; V65-V80 WeakPolarHBondContact O-CA 3.43Å; M77-V80 HydrophobicContact CB-CG2 3.77Å
81C97.3Very high96.7Very high23 Ų2360.8 Ų60.816%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-122.8131.9176.5-1740000110.5I22 V64 V65I22-C81 HydrophobicContact CG2-CB 4.5Å; V64-C81 CarbonylContact C-O 3.22Å; V64-C81 VanDerWaalsContact CA-O 3.26Å; V64-C81 WeakPolarHBondContact CA-O 3.47Å; V65-C81 PolarHBondContact N-O 2.89Å; V65-C81 PolarHBondContact O-N 3.46Å
82A97.4Very high96.8Very high27 Ų2754.8 Ų54.822%0.22328%0.278CS..EExtended strand (participates in β ladder)trans-69.9135.5173.100000110.6Q19 P61Q19-A82 PolarHBondContact NE2-O 3.18Å; Q19-A82 VanDerWaalsContact NE2-O 3.11Å; P61-A82 HydrophobicContact CB-CB 4Å; P61-A82 HydrophobicContact CG-CB 3.79Å
83V97.2Very high96.8Very high13 Ų1355 Ų558%0.07928%0.281CS..  trans-138.9160.1178.9-71.20000112.6C23 W63 V65 W87C23-V83 HydrophobicContact CB-CG1 3.99Å; W63-V83 HydrophobicContact CB-CG2 4.29Å; W63-V83 VanDerWaalsContact CB-O 3.29Å; W63-V83 WeakPolarHBondContact CB-O 3.4Å; W63-V83 PolarHBondContact O-N 3.07Å; W63-V83 VanDerWaalsContact O-N 3.11Å; V65-V83 HydrophobicContact CG2-CB 3.96Å; V65-V83 HydrophobicContact CG2-CG1 3.33Å; V65-V83 HydrophobicContact CG2-CG2 3.42Å; V65-V83 VanDerWaalsContact CG2-CG2 3.42Å; V83-W87 HydrophobicContact CB-CE3 3.94Å; V83-W87 HydrophobicContact CB-CZ3 4.11Å; V83-W87 HydrophobicContact CG1-CE3 4.04Å; V83-W87 HydrophobicContact CG1-CZ3 4.09Å
84E96.9Very high96.9Very high83 Ų8352.8 Ų52.839%0.38828%0.277SS..  trans-91.4139.7168.9-63.4174.4-169.500110.9K86 W87E84-K86 PolarHBondContact O-N 3.34Å; E84-K86 VanDerWaalsContact O-N 3.12Å; E84-W87 HydrophobicContact CB-CD2 3.82Å; E84-W87 HydrophobicContact CB-CE3 4.32Å; E84-W87 HydrophobicContact CB-CG 4.14Å; E84-W87 HydrophobicContact CB-CH2 4.45Å; E84-W87 HydrophobicContact CB-CZ2 3.95Å; E84-W87 HydrophobicContact CG-CD2 4.36Å; E84-W87 HydrophobicContact CG-CH2 4Å; E84-W87 HydrophobicContact CG-CZ2 3.53Å; E84-W87 WeakPolarHBondContact O-CB 3.29Å; E84-W87 PolarHBondContact O-N 3.09Å; E84-W87 WeakPolarHBondContact OE1-CZ2 3.46Å; E84-W87 PolarHBondContact OE2-NE1 3.25Å
85P95.5Very high96.9Very high45 Ų4552.8 Ų52.829%0.29228%0.277SS..Hα-helixtrans-62.5-24.2179.924.7-34.1000113.1W63 W87 L88W63-P85 HydrophobicContact CD2-CB 3.91Å; W63-P85 HydrophobicContact CD2-CG 4.37Å; W63-P85 HydrophobicContact CE3-CB 4.23Å; W63-P85 HydrophobicContact CG-CB 4.34Å; W63-P85 HydrophobicContact CG-CG 4.4Å; W63-P85 HydrophobicContact CH2-CB 4.34Å; W63-P85 HydrophobicContact CZ2-CB 4.03Å; W63-P85 HydrophobicContact CZ3-CB 4.41Å; P85-W87 VanDerWaalsContact C-N 3.27Å; P85-W87 PolarHBondContact O-N 3.04Å; P85-L88 PolarHBondContact O-N 2.76Å
86K96.7Very high96.8Very high128 Ų12852.2 Ų52.256%0.55727%0.274SS*.Hα-helixtrans-61-37.3175.8-179.5178.8173.4-178.60112.2E84 L88 V89 E90 F98E84-K86 PolarHBondContact O-N 3.34Å; E84-K86 VanDerWaalsContact O-N 3.12Å; K86-L88 VanDerWaalsContact C-N 3.32Å; K86-L88 PolarHBondContact O-N 3.31Å; K86-V89 PolarHBondContact O-N 2.75Å; K86-E90 WeakPolarHBondContact O-CB 3.43Å; K86-E90 PolarHBondContact O-N 3.44Å; K86-F98 HydrophobicContact CB-CZ 4.35Å; K86-F98 HydrophobicContact CG-CZ 4.49Å
87W97.3Very high96.6Very high8 Ų860 Ų603%0.0330%0.303CS..Hα-helixtrans-68.5-34.3-177.1-53.6-13.1000111.5Q16 Q19 K20 V83 E84 P85 V89 E90 F91Q16-W87 HydrophobicContact CG-CH2 4.48Å; Q19-W87 HydrophobicContact CB-CH2 4.23Å; Q19-W87 HydrophobicContact CB-CZ3 3.7Å; K20-W87 HydrophobicContact CG-CD2 3.72Å; K20-W87 HydrophobicContact CG-CE3 3.95Å; K20-W87 HydrophobicContact CG-CG 4.1Å; K20-W87 HydrophobicContact CG-CZ2 4.39Å; K20-W87 HydrophobicContact CG-CZ3 4.37Å; V83-W87 HydrophobicContact CB-CE3 3.94Å; V83-W87 HydrophobicContact CB-CZ3 4.11Å; V83-W87 HydrophobicContact CG1-CE3 4.04Å; V83-W87 HydrophobicContact CG1-CZ3 4.09Å; E84-W87 HydrophobicContact CB-CD2 3.82Å; E84-W87 HydrophobicContact CB-CE3 4.32Å; E84-W87 HydrophobicContact CB-CG 4.14Å; E84-W87 HydrophobicContact CB-CH2 4.45Å; E84-W87 HydrophobicContact CB-CZ2 3.95Å; E84-W87 HydrophobicContact CG-CD2 4.36Å; E84-W87 HydrophobicContact CG-CH2 4Å; E84-W87 HydrophobicContact CG-CZ2 3.53Å; E84-W87 WeakPolarHBondContact O-CB 3.29Å; E84-W87 PolarHBondContact O-N 3.09Å; E84-W87 WeakPolarHBondContact OE1-CZ2 3.46Å; E84-W87 PolarHBondContact OE2-NE1 3.25Å; P85-W87 VanDerWaalsContact C-N 3.27Å; P85-W87 PolarHBondContact O-N 3.04Å; W87-V89 VanDerWaalsContact C-N 3.34Å; W87-V89 PolarHBondContact O-N 2.87Å; W87-E90 PolarHBondContact O-N 2.82Å; W87-F91 HydrophobicContact CB-CD2 4.05Å; W87-F91 HydrophobicContact CB-CE2 3.77Å; W87-F91 HydrophobicContact CG-CE2 4.45Å; W87-F91 WeakPolarHBondContact O-CB 3.26Å; W87-F91 WeakPolarHBondContact O-CD2 3.43Å; W87-F91 WeakPolarHBondContact O-CG 3.48Å; W87-F91 PolarHBondContact O-N 2.89Å
88L97.1Very high96.3Very high4 Ų466.3 Ų66.32%0.02133%0.331CS..Hα-helixtrans-60.8-44174.4-67.3170.2000111.5C23 F27 A30 L42 W63 P85 K86 A92 F96C23-L88 VanDerWaalsContact SG-CD2 3.55Å; F27-L88 HydrophobicContact CB-CD2 4.08Å; A30-L88 HydrophobicContact CB-CD1 3.97Å; A30-L88 HydrophobicContact CB-CD2 3.87Å; L42-L88 HydrophobicContact CD1-CD1 3.88Å; W63-L88 HydrophobicContact CE3-CD1 4.2Å; W63-L88 HydrophobicContact CZ3-CD1 4.37Å; P85-L88 PolarHBondContact O-N 2.76Å; K86-L88 VanDerWaalsContact C-N 3.32Å; K86-L88 PolarHBondContact O-N 3.31Å; L88-A92 PolarHBondContact O-N 2.9Å; L88-F96 HydrophobicContact CB-CD2 3.8Å; L88-F96 HydrophobicContact CB-CE2 4.12Å; L88-F96 HydrophobicContact CB-CG 4.37Å; L88-F96 HydrophobicContact CD2-CE2 4.01Å
89V96.8Very high95.9Very high30 Ų3065.9 Ų65.918%0.18235%0.35CS..Hα-helixtrans-70.6-37.4177.6-1770000111.4K86 W87 P93 F96 F98K86-V89 PolarHBondContact O-N 2.75Å; W87-V89 VanDerWaalsContact C-N 3.34Å; W87-V89 PolarHBondContact O-N 2.87Å; V89-P93 WeakPolarHBondContact O-CA 3.19Å; V89-P93 WeakPolarHBondContact O-CB 3.49Å; V89-F96 HydrophobicContact CG2-CB 4.11Å; V89-F98 HydrophobicContact CB-CD2 4.33Å; V89-F98 HydrophobicContact CB-CE2 3.81Å; V89-F98 HydrophobicContact CB-CZ 4.05Å; V89-F98 HydrophobicContact CG1-CD2 3.9Å; V89-F98 HydrophobicContact CG1-CE2 3.72Å; V89-F98 HydrophobicContact CG1-CZ 4.46Å; V89-F98 HydrophobicContact CG2-CD1 4.23Å; V89-F98 HydrophobicContact CG2-CD2 4.08Å; V89-F98 HydrophobicContact CG2-CE1 3.98Å; V89-F98 HydrophobicContact CG2-CE2 3.82Å; V89-F98 HydrophobicContact CG2-CG 4.29Å; V89-F98 HydrophobicContact CG2-CZ 3.78Å
90E96.6Very high95.6Very high101 Ų10163.3 Ų63.347%0.47234%0.341SS..Hα-helixtrans-65.6-45.6178.5-173.6179.4156.600112.3K86 W87K86-E90 WeakPolarHBondContact O-CB 3.43Å; K86-E90 PolarHBondContact O-N 3.44Å; W87-E90 PolarHBondContact O-N 2.82Å
91F96Very high95.2Very high70 Ų7068.9 Ų68.931%0.30738%0.377SS..Hα-helixtrans-86.9-25.8-175.6-60.2-44.2000114.1K20 C23 W87 P93K20-F91 HydrophobicContact CB-CE2 3.76Å; K20-F91 HydrophobicContact CB-CZ 3.71Å; K20-F91 HydrophobicContact CD-CZ 4.13Å; K20-F91 HydrophobicContact CG-CE2 3.96Å; K20-F91 HydrophobicContact CG-CZ 3.94Å; K20-F91 VanDerWaalsContact O-CE2 3.28Å; K20-F91 WeakPolarHBondContact O-CE2 3.49Å; C23-F91 HydrophobicContact CB-CD2 4.25Å; C23-F91 HydrophobicContact CB-CE2 4.38Å; W87-F91 HydrophobicContact CB-CD2 4.05Å; W87-F91 HydrophobicContact CB-CE2 3.77Å; W87-F91 HydrophobicContact CG-CE2 4.45Å; W87-F91 WeakPolarHBondContact O-CB 3.26Å; W87-F91 WeakPolarHBondContact O-CD2 3.43Å; W87-F91 WeakPolarHBondContact O-CG 3.48Å; W87-F91 PolarHBondContact O-N 2.89Å; F91-P93 VanDerWaalsContact C-CD 3.44Å
92A96.5Very high95Very high7 Ų773.5 Ų73.56%0.05841%0.405CS..  trans-130.761.6178.400000112F27 L88 A94 F95 F96F27-A92 HydrophobicContact CB-CB 4.18Å; F27-A92 HydrophobicContact CD1-CB 4.23Å; F27-A92 HydrophobicContact CD2-CB 3.43Å; F27-A92 VanDerWaalsContact CD2-CB 3.43Å; F27-A92 HydrophobicContact CE2-CB 3.77Å; F27-A92 HydrophobicContact CG-CB 3.69Å; F27-A92 HydrophobicContact CZ-CB 4.3Å; L88-A92 PolarHBondContact O-N 2.9Å; A92-A94 PolarHBondContact O-N 3.49Å; A92-F95 HydrophobicContact CB-CB 4.02Å; A92-F95 PolarHBondContact O-N 3.29Å; A92-F96 HydrophobicContact CB-CD2 4.14Å; A92-F96 PolarHBondContact O-N 2.82Å
93P96.2Very high94.7Very high80 Ų8079.6 Ų79.652%0.51943%0.426SS..THydrogen-bonded Turntrans-66.4-22.6-17727.1-35.8000113.4V89 F91 F95V89-P93 WeakPolarHBondContact O-CA 3.19Å; V89-P93 WeakPolarHBondContact O-CB 3.49Å; F91-P93 VanDerWaalsContact C-CD 3.44Å; P93-F95 VanDerWaalsContact C-N 3.28Å
94A96.1Very high94.3Very high100 Ų10082.9 Ų82.983%0.82644%0.443SS*.THydrogen-bonded Turntrans-71.5-25.4172.300000112.4A92A92-A94 PolarHBondContact O-N 3.49Å
95F96.1Very high93.9Very high79 Ų7982 Ų8235%0.34645%0.446SS..THydrogen-bonded Turntrans-101.9-45.3-174.8-163.4-88.5000112.2F27 R28 V43 A92 P93F27-F95 HydrophobicContact CD2-CB 4.46Å; F27-F95 HydrophobicContact CD2-CD1 4.42Å; F27-F95 HydrophobicContact CD2-CG 4.39Å; F27-F95 HydrophobicContact CE2-CB 4.09Å; F27-F95 HydrophobicContact CE2-CD1 4.45Å; F27-F95 HydrophobicContact CE2-CD2 4.28Å; F27-F95 HydrophobicContact CE2-CG 4.02Å; R28-F95 HydrophobicContact CG-CZ 4.45Å; V43-F95 HydrophobicContact CG1-CZ 4.49Å; V43-F95 HydrophobicContact CG2-CE1 4.03Å; V43-F95 HydrophobicContact CG2-CZ 3.85Å; A92-F95 HydrophobicContact CB-CB 4.02Å; A92-F95 PolarHBondContact O-N 3.29Å; P93-F95 VanDerWaalsContact C-N 3.28Å
96F95.6Very high93.6Very high28 Ų2889.2 Ų89.212%0.12347%0.473CS..  trans-110.3145.5-177.3-65.3-62.2000112.5F27 L42 L88 V89 A92F27-F96 HydrophobicContact CB-CE2 4.16Å; F27-F96 AromaticContact CD2-CE2 3.95Å; F27-F96 HydrophobicContact CD2-CE2 3.95Å; F27-F96 VanDerWaalsContact O-CE2 3.25Å; F27-F96 WeakPolarHBondContact O-CE2 3.24Å; F27-F96 WeakPolarHBondContact O-CZ 3.28Å; L42-F96 HydrophobicContact CB-CE1 4.09Å; L42-F96 HydrophobicContact CB-CZ 4.43Å; L42-F96 HydrophobicContact CD1-CE1 3.86Å; L42-F96 HydrophobicContact CD1-CZ 4Å; L88-F96 HydrophobicContact CB-CD2 3.8Å; L88-F96 HydrophobicContact CB-CE2 4.12Å; L88-F96 HydrophobicContact CB-CG 4.37Å; L88-F96 HydrophobicContact CD2-CE2 4.01Å; V89-F96 HydrophobicContact CG2-CB 4.11Å; A92-F96 HydrophobicContact CB-CD2 4.14Å; A92-F96 PolarHBondContact O-N 2.82Å
97R93.7Very high93.1Very high211 Ų21189.5 Ų89.580%0.79647%0.474SS*.  trans-141.5147.1173.3-60.1-174-171.7-143.11.8109.8
98F92.1Very high92.6Very high133 Ų13395 Ų9558%0.58350%0.498SS*.PPolyproline II helixtrans-66.3137.5168.8-68.1-68.9000110.5K86 V89K86-F98 HydrophobicContact CB-CZ 4.35Å; K86-F98 HydrophobicContact CG-CZ 4.49Å; V89-F98 HydrophobicContact CB-CD2 4.33Å; V89-F98 HydrophobicContact CB-CE2 3.81Å; V89-F98 HydrophobicContact CB-CZ 4.05Å; V89-F98 HydrophobicContact CG1-CD2 3.9Å; V89-F98 HydrophobicContact CG1-CE2 3.72Å; V89-F98 HydrophobicContact CG1-CZ 4.46Å; V89-F98 HydrophobicContact CG2-CD1 4.23Å; V89-F98 HydrophobicContact CG2-CD2 4.08Å; V89-F98 HydrophobicContact CG2-CE1 3.98Å; V89-F98 HydrophobicContact CG2-CE2 3.82Å; V89-F98 HydrophobicContact CG2-CG 4.29Å; V89-F98 HydrophobicContact CG2-CZ 3.78Å
99G88.7Confident92.4Very high67 Ų67101.9 Ų101.969%0.69153%0.528SS*.PPolyproline II helixtrans-65143.4171.200000110.7P101G99-P101 WeakPolarHBondContact O-CD 3.27Å
100N90.4Very high92.1Very high79 Ų79103.1 Ų103.142%0.42255%0.547SS..PPolyproline II helixtrans-66.2121.2174.9-177.7-22.7000109.4T102 K103N100-T102 PolarHBondContact O-N 3.04Å; N100-T102 PolarHBondContact OD1-N 3.16Å; N100-T102 PolarHBondContact OD1-OG1 3.28Å; N100-K103 HydrophobicContact CB-CB 4.21Å; N100-K103 PolarHBondContact O-N 3.04Å
101P89.2Confident91.7Very high131 Ų131103.6 Ų103.685%0.85155%0.55SS*.THydrogen-bonded Turntrans-64.3-25.3-177.225.9-34.9000113.4G99G99-P101 WeakPolarHBondContact O-CD 3.27Å
102T93.5Very high91.4Very high120 Ų120109.3 Ų109.374%0.73657%0.574SS**THydrogen-bonded Turntrans-86.8-14.2179.863.60000113.2N100N100-T102 PolarHBondContact O-N 3.04Å; N100-T102 PolarHBondContact OD1-N 3.16Å; N100-T102 PolarHBondContact OD1-OG1 3.28Å
103K91.2Very high91Very high154 Ų154116.9 Ų116.967%0.6761%0.612SS**SBendtrans-120.3121.8-175.9-64.7-174.4-179.1-179.70111.3N100 S105N100-K103 HydrophobicContact CB-CB 4.21Å; N100-K103 PolarHBondContact O-N 3.04Å; K103-S105 PolarHBondContact O-N 3.42Å
104L87.5Confident90.6Very high82 Ų82119.9 Ų119.943%0.42962%0.619SS.*  trans-69131.2175.3-154.265000111.1K108 K109L104-K108 HydrophobicContact CD1-CB 3.79Å; L104-K108 HydrophobicContact CD1-CD 3.39Å; L104-K108 HydrophobicContact CD1-CG 3.46Å; L104-K108 VanDerWaalsContact CD1-CG 3.46Å; L104-K108 HydrophobicContact CD2-CB 4.4Å; L104-K108 HydrophobicContact CD2-CG 4.24Å; L104-K108 HydrophobicContact CG-CB 3.81Å; L104-K108 HydrophobicContact CG-CD 4.35Å; L104-K108 HydrophobicContact CG-CG 3.92Å; L104-K109 HydrophobicContact CB-CG 3.79Å; L104-K109 HydrophobicContact CD2-CB 4.29Å; L104-K109 HydrophobicContact CD2-CG 3.65Å; L104-K109 HydrophobicContact CG-CG 3.88Å; L104-K109 WeakPolarHBondContact O-CE 3.2Å
105S88.4Confident90.4Very high65 Ų65118.5 Ų118.546%0.45560%0.602SS.*  trans-63.4155.4173.9740000110.8K103 F107 K108 K109K103-S105 PolarHBondContact O-N 3.42Å; S105-F107 PolarHBondContact O-N 3.15Å; S105-K108 PolarHBondContact O-N 3.29Å; S105-K108 VanDerWaalsContact O-N 3.13Å; S105-K108 WeakPolarHBondContact OG-CB 3.45Å; S105-K108 PolarHBondContact OG-N 2.84Å; S105-K108 VanDerWaalsContact OG-N 3.1Å; S105-K109 WeakPolarHBondContact O-CG 3.33Å; S105-K109 PolarHBondContact O-N 3.48Å
106K89.2Confident90.2Very high196 Ų196122.8 Ų122.885%0.85263%0.627SS**Hα-helixtrans-54.6-42.1175.6-70.2-175.2179.9-179.70111.5K109 G110K106-K109 PolarHBondContact O-N 3.05Å; K106-G110 PolarHBondContact O-N 3.08Å; K106-G110 VanDerWaalsContact O-N 3.16Å
107F86.7Confident90Very high134 Ų134129.6 Ų129.659%0.58865%0.654SS**Hα-helixtrans-58.5-51.5175.7-179.8-107.9000111.8S105 K109 G110 Q111S105-F107 PolarHBondContact O-N 3.15Å; F107-K109 VanDerWaalsContact C-N 3.32Å; F107-K109 PolarHBondContact O-N 3.39Å; F107-G110 PolarHBondContact O-N 3.13Å; F107-G110 VanDerWaalsContact O-N 3.09Å; F107-Q111 PolarHBondContact O-N 2.78Å
108K87.6Confident90Very high123 Ų123122.5 Ų122.554%0.53563%0.631SS.*Hα-helixtrans-70.4-27.1-177.9-167.1169.7168.8-178.90112.7L104 S105 G110 Q111L104-K108 HydrophobicContact CD1-CB 3.79Å; L104-K108 HydrophobicContact CD1-CD 3.39Å; L104-K108 HydrophobicContact CD1-CG 3.46Å; L104-K108 VanDerWaalsContact CD1-CG 3.46Å; L104-K108 HydrophobicContact CD2-CB 4.4Å; L104-K108 HydrophobicContact CD2-CG 4.24Å; L104-K108 HydrophobicContact CG-CB 3.81Å; L104-K108 HydrophobicContact CG-CD 4.35Å; L104-K108 HydrophobicContact CG-CG 3.92Å; S105-K108 PolarHBondContact O-N 3.29Å; S105-K108 VanDerWaalsContact O-N 3.13Å; S105-K108 WeakPolarHBondContact OG-CB 3.45Å; S105-K108 PolarHBondContact OG-N 2.84Å; S105-K108 VanDerWaalsContact OG-N 3.1Å; K108-G110 VanDerWaalsContact C-N 3.31Å; K108-Q111 PolarHBondContact O-N 2.94Å
109K91.7Very high90.1Very high149 Ų149124 Ų12465%0.64864%0.637SS**Hα-helixtrans-65.1-32.4169.4-75.4179178-172.20113.1L104 S105 K106 F107 Q111L104-K109 HydrophobicContact CB-CG 3.79Å; L104-K109 HydrophobicContact CD2-CB 4.29Å; L104-K109 HydrophobicContact CD2-CG 3.65Å; L104-K109 HydrophobicContact CG-CG 3.88Å; L104-K109 WeakPolarHBondContact O-CE 3.2Å; S105-K109 WeakPolarHBondContact O-CG 3.33Å; S105-K109 PolarHBondContact O-N 3.48Å; K106-K109 PolarHBondContact O-N 3.05Å; F107-K109 VanDerWaalsContact C-N 3.32Å; F107-K109 PolarHBondContact O-N 3.39Å; K109-Q111 VanDerWaalsContact C-N 3.34Å
110G91.3Very high90.3Very high57 Ų57130.7 Ų130.759%0.58864%0.643SS**Hα-helixtrans-82.2-10.1-179.300000114.4K106 F107 K108K106-G110 PolarHBondContact O-N 3.08Å; K106-G110 VanDerWaalsContact O-N 3.16Å; F107-G110 PolarHBondContact O-N 3.13Å; F107-G110 VanDerWaalsContact O-N 3.09Å; K108-G110 VanDerWaalsContact C-N 3.31Å
111Q89.2Confident90.2Very high111 Ų111132.8 Ų132.852%0.51965%0.651SS.*  trans-70.6134179.4-68.6-176.99.900110.7F107 K108 K109F107-Q111 PolarHBondContact O-N 2.78Å; K108-Q111 PolarHBondContact O-N 2.94Å; K109-Q111 VanDerWaalsContact C-N 3.34Å
112K89.7Confident90.2Very high190 Ų190131.1 Ų131.183%0.82664%0.635SS**  trans-108.8137.5174.4-65.5179.5-177.2175.40108.5
113I87.3Confident90Very high165 Ų165129.5 Ų129.585%0.84663%0.625SS**  trans-92.5129.7174.9-53.8173.8000107.1
114E87.8Confident89.9Confident143 Ų143124.4 Ų124.467%0.66861%0.605SS**  trans-108.7148.2174-63.8-171.1160.800109.4
115P92Very high90Very high72 Ų72122.8 Ų122.847%0.46860%0.603SS.*PPolyproline II helixtrans-67.5161.6176.429.1-33.8000111.1W126P115-W126 HydrophobicContact CG-CD2 4.16Å; P115-W126 HydrophobicContact CG-CG 4.01Å; P115-W126 HydrophobicContact CG-CZ2 4.43Å
116L90.8Very high89.9Confident169 Ų169126.3 Ų126.389%0.88561%0.606SS**PPolyproline II helixtrans-61.9142.6174.7-169.265.8000110.4N118L116-N118 PolarHBondContact O-N 3.2Å
117Y91.3Very high89.9Confident171 Ų171122.3 Ų122.367%0.67159%0.586SS**PPolyproline II helixtrans-59.9129.7177.5174-105.6000111.6K119Y117-K119 HydrophobicContact CE1-CB 4.17Å
118N94Very high89.9Confident61 Ų61123.3 Ų123.333%0.32660%0.595SS.*  trans-119.8120.1172.5-178.6-0.9000108.9L116 Y120 E121L116-N118 PolarHBondContact O-N 3.2Å; N118-Y120 PolarHBondContact O-N 3.05Å; N118-Y120 WeakPolarHBondContact OD1-CD2 2.9Å; N118-Y120 PolarHBondContact OD1-N 3.35Å; N118-Y120 VanDerWaalsContact OD1-N 3.13Å; N118-E121 HydrophobicContact CB-CB 4.37Å; N118-E121 VanDerWaalsContact ND2-CD 3.32Å; N118-E121 WeakPolarHBondContact ND2-CG 3.46Å; N118-E121 PolarHBondContact ND2-OE2 3.23Å; N118-E121 PolarHBondContact O-N 2.89Å
119K94Very high89.9Confident164 Ų164122.6 Ų122.671%0.71361%0.606SS**THydrogen-bonded Turntrans-62.5-26.8-178.1-177.2175.9178.1179.70113.4Y117Y117-K119 HydrophobicContact CE1-CB 4.17Å
120Y94Very high89.5Confident208 Ų208123.4 Ų123.482%0.81661%0.605SS**THydrogen-bonded Turntrans-91.8-10.7-173-56.6-74.1000113.8N118N118-Y120 PolarHBondContact O-N 3.05Å; N118-Y120 WeakPolarHBondContact OD1-CD2 2.9Å; N118-Y120 PolarHBondContact OD1-N 3.35Å; N118-Y120 VanDerWaalsContact OD1-N 3.13Å
121E89Confident89Confident123 Ų123125.2 Ų125.258%0.57560%0.604SS**SBendtrans-120149.7-176.7-70.3-179.5156.800110.8N118N118-E121 HydrophobicContact CB-CB 4.37Å; N118-E121 VanDerWaalsContact ND2-CD 3.32Å; N118-E121 WeakPolarHBondContact ND2-CG 3.46Å; N118-E121 PolarHBondContact ND2-OE2 3.23Å; N118-E121 PolarHBondContact O-N 2.89Å
122D88.8Confident88.2Confident97 Ų97129.4 Ų129.452%0.51962%0.621SS.*  trans-64.7140.1167.7179.8-94000109.9N124 A125D122-N124 PolarHBondContact O-N 3.41Å; D122-N124 WeakPolarHBondContact OD1-CA 3.49Å; D122-N124 WeakPolarHBondContact OD1-CB 3.23Å; D122-N124 PolarHBondContact OD1-N 3.44Å; D122-A125 HydrophobicContact CB-CB 4.32Å; D122-A125 VanDerWaalsContact O-CB 3.23Å; D122-A125 WeakPolarHBondContact O-CB 3.38Å; D122-A125 PolarHBondContact O-N 2.76Å
123V89.1Confident87.2Confident86 Ų86129.4 Ų129.452%0.52162%0.621SS.*THydrogen-bonded Turntrans-54-27.1-177.7178.40000112.8W126V123-W126 PolarHBondContact O-NE1 2.91Å
124N89.3Confident86Confident47 Ų47131.5 Ų131.525%0.25162%0.624SS.*THydrogen-bonded Turntrans-104.54.6-179.1-62.9-72.2000114D122 W126 R127D122-N124 PolarHBondContact O-N 3.41Å; D122-N124 WeakPolarHBondContact OD1-CA 3.49Å; D122-N124 WeakPolarHBondContact OD1-CB 3.23Å; D122-N124 PolarHBondContact OD1-N 3.44Å; N124-W126 PolarHBondContact O-N 3.31Å; N124-R127 WeakPolarHBondContact O-CB 3.41Å; N124-R127 PolarHBondContact O-N 2.97Å; N124-R127 PolarHBondContact OD1-NE 3.15Å; N124-R127 PolarHBondContact OD1-NH2 3.16Å
125A88.1Confident84.9Confident47 Ų47131.9 Ų131.939%0.38863%0.629SS.*THydrogen-bonded Turntrans-58.6-31.6-177.600000112.9D122 R127D122-A125 HydrophobicContact CB-CB 4.32Å; D122-A125 VanDerWaalsContact O-CB 3.23Å; D122-A125 WeakPolarHBondContact O-CB 3.38Å; D122-A125 PolarHBondContact O-N 2.76Å; A125-R127 PolarHBondContact O-N 3.28Å
126W86.4Confident83.7Confident140 Ų140137.7 Ų137.753%0.5364%0.643SS.*THydrogen-bonded Turntrans-69.2-15.717867.1-88.6000114.4P115 V123 N124 I128P115-W126 HydrophobicContact CG-CD2 4.16Å; P115-W126 HydrophobicContact CG-CG 4.01Å; P115-W126 HydrophobicContact CG-CZ2 4.43Å; V123-W126 PolarHBondContact O-NE1 2.91Å; N124-W126 PolarHBondContact O-N 3.31Å; W126-I128 PolarHBondContact O-N 3.2Å
127R89.6Confident82.8Confident112 Ų112133.5 Ų133.542%0.42362%0.621SS.*  trans-69.5127.3-178.4-69-172.5174.8174.83.3109.8N124 A125 S129 R130N124-R127 WeakPolarHBondContact O-CB 3.41Å; N124-R127 PolarHBondContact O-N 2.97Å; N124-R127 PolarHBondContact OD1-NE 3.15Å; N124-R127 PolarHBondContact OD1-NH2 3.16Å; A125-R127 PolarHBondContact O-N 3.28Å; R127-S129 PolarHBondContact O-N 2.88Å; R127-R130 HydrophobicContact CB-CG 4.42Å; R127-R130 WeakPolarHBondContact O-CB 3.44Å; R127-R130 PolarHBondContact O-N 2.83Å
128I86.6Confident82Confident154 Ų154129.4 Ų129.479%0.7962%0.616SS**G310 helixtrans-54.4-32175.4-63.6171.2000111.5W126 R130 V131W126-I128 PolarHBondContact O-N 3.2Å; I128-R130 PolarHBondContact O-N 3.26Å; I128-V131 PolarHBondContact O-N 3.05Å
129S87.9Confident81Confident108 Ų108133.6 Ų133.676%0.75564%0.638SS**G310 helixtrans-64.8-20.1175.958.40000114.6R127R127-S129 PolarHBondContact O-N 2.88Å
130R83.6Confident79.3Confident167 Ų167139.2 Ų139.263%0.6366%0.655SS**G310 helixtrans-89.4-19.3175.9-78.1-84.3-172.8170.91.4112.9R127 I128 K132R127-R130 HydrophobicContact CB-CG 4.42Å; R127-R130 WeakPolarHBondContact O-CB 3.44Å; R127-R130 PolarHBondContact O-N 2.83Å; I128-R130 PolarHBondContact O-N 3.26Å; R130-K132 PolarHBondContact O-N 3.45Å; R130-K132 VanDerWaalsContact O-N 3.16Å
131V80.9Confident78.5Confident94 Ų94135.8 Ų135.857%0.5765%0.647SS**SBendtrans-67.7114.5178.8-177.40000108.5I128 K133I128-V131 PolarHBondContact O-N 3.05Å; V131-K133 PolarHBondContact O-N 3.09Å
132K72.9Confident78Confident199 Ų199136.5 Ų136.587%0.86565%0.651SS**  trans-56114.4174.5-82.3-175.6177.51790108.5R130 K134R130-K132 PolarHBondContact O-N 3.45Å; R130-K132 VanDerWaalsContact O-N 3.16Å; K132-K134 PolarHBondContact O-N 3.32Å; K132-K134 VanDerWaalsContact O-N 3.15Å
133K67.2Low77.4Confident190 Ų190138.7 Ų138.783%0.82666%0.658SS**  trans-57.4120.7171.4-77.2-177176.71780107.9V131 I135V131-K133 PolarHBondContact O-N 3.09Å; K133-I135 VanDerWaalsContact C-N 3.26Å; K133-I135 PolarHBondContact O-N 3.13Å
134K62.5Low76.7Confident209 Ų209141.8 Ų141.891%0.90967%0.666SS**  trans-65.597.3159.7-79-175.2177.1-179.30105.9K132 Y136K132-K134 PolarHBondContact O-N 3.32Å; K132-K134 VanDerWaalsContact O-N 3.15Å; K134-Y136 PolarHBondContact O-N 3.02Å; K134-Y136 VanDerWaalsContact O-N 3.09Å
135I65Low75.9Confident152 Ų152147.7 Ų147.778%0.77969%0.692SS**  trans-64.2112.1168.2-58.3171.6000104.7K133 N137K133-I135 VanDerWaalsContact C-N 3.26Å; K133-I135 PolarHBondContact O-N 3.13Å; I135-N137 PolarHBondContact O-N 2.92Å; I135-N137 VanDerWaalsContact O-N 3.13Å
136Y66.9Low75.1Confident193 Ų193154.4 Ų154.476%0.75771%0.712SS**  trans-58.7116.3170.7173.8-104.4000107.5K134 P138K134-Y136 PolarHBondContact O-N 3.02Å; K134-Y136 VanDerWaalsContact O-N 3.09Å; Y136-P138 HydrophobicContact CD1-CB 4.4Å; Y136-P138 HydrophobicContact CE1-CB 3.7Å; Y136-P138 HydrophobicContact CE1-CG 4.36Å; Y136-P138 WeakPolarHBondContact O-CD 3.38Å
137N72.4Confident74.3Confident81 Ų81155.4 Ų155.443%0.43373%0.725SS.*  trans-98107171.9-177.13.6000107.3I135 N139 R140I135-N137 PolarHBondContact O-N 2.92Å; I135-N137 VanDerWaalsContact O-N 3.13Å; N137-N139 PolarHBondContact O-N 3.16Å; N137-N139 VanDerWaalsContact O-N 3.16Å; N137-N139 PolarHBondContact OD1-N 3.1Å; N137-N139 VanDerWaalsContact OD1-N 3.1Å; N137-R140 HydrophobicContact CB-CB 4.33Å
138P73.7Confident73.1Confident85 Ų85158.8 Ų158.855%0.55275%0.749SS**THydrogen-bonded Turntrans-66.1-10.917923.4-30.8000114Y136Y136-P138 HydrophobicContact CD1-CB 4.4Å; Y136-P138 HydrophobicContact CE1-CB 3.7Å; Y136-P138 HydrophobicContact CE1-CG 4.36Å; Y136-P138 WeakPolarHBondContact O-CD 3.38Å
139N73.5Confident72Confident149 Ų149159.2 Ų159.280%0.79775%0.745SS**THydrogen-bonded Turntrans-111.526.4-175.4-62.5-20.6000113N137N137-N139 PolarHBondContact O-N 3.16Å; N137-N139 VanDerWaalsContact O-N 3.16Å; N137-N139 PolarHBondContact OD1-N 3.1Å; N137-N139 VanDerWaalsContact OD1-N 3.1Å
140R57.3Low70.5Confident283 Ų283163.8 Ų163.8100%1.06874%0.744SS**  trans-123.90174.2-130.1-170.2-168.1-175.82.3111.7N137N137-R140 HydrophobicContact CB-CB 4.33Å

Retrieved 140 of 140 residues in 134.5 ms (Link to these results)

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