A0A077ZFN1_TRITR Loading...

Barrier-to-autointegration factor 1

AlphaFold DB , UniProt , Accession A0A077ZFN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M34.3Very low77.4Confident234 Ų234104.6 Ų104.6100%1.15357%0.573SS**  0117.30-74.1176.617200107.3T3M1-T3 PolarHBondContact O-N 3.06Å
2T39.6Very low79.1Confident141 Ų14196.2 Ų96.287%0.86553%0.527SS*.  trans-78.895.7172.829.10000108.1T4T2-T4 PolarHBondContact O-N 3.21Å
3T56.3Low80.4Confident125 Ų12589.2 Ų89.277%0.76749%0.488SS*.  trans-69.5112.3172.341.30000108.5M1 T5M1-T3 PolarHBondContact O-N 3.06Å; T3-T5 PolarHBondContact O-N 3.21Å
4T70.9Confident81.4Confident138 Ų13889 Ų8985%0.84749%0.492SS*.PPolyproline II helixtrans-76.9122.7172.857.30000108.6T2T2-T4 PolarHBondContact O-N 3.21Å
5T82.7Confident82Confident78 Ų7890.3 Ų90.348%0.47949%0.492SS..PPolyproline II helixtrans-82.7153.8173.151.80000109.9T3T3-T5 PolarHBondContact O-N 3.21Å
6S92.2Very high82.7Confident59 Ų5989.3 Ų89.341%0.41349%0.494SS..PPolyproline II helixtrans-69.4155.1177.272.40000111.2K8 H9 R10S6-K8 PolarHBondContact O-N 2.97Å; S6-H9 WeakPolarHBondContact O-CB 3.47Å; S6-H9 PolarHBondContact O-N 3.34Å; S6-H9 WeakPolarHBondContact OG-CB 3.39Å; S6-H9 PolarHBondContact OG-N 3.23Å; S6-H9 VanDerWaalsContact OG-N 3.08Å; S6-R10 PolarHBondContact O-N 2.83Å; S6-R10 VanDerWaalsContact O-N 3.09Å
7V93.5Very high83.4Confident84 Ų8484.7 Ų84.751%0.50947%0.469SS..Hα-helixtrans-52.4-46.8172.5174.10000110.4H9 R10 D11V7-H9 VanDerWaalsContact C-N 3.29Å; V7-H9 PolarHBondContact O-N 3.24Å; V7-R10 WeakPolarHBondContact O-CB 3.48Å; V7-R10 PolarHBondContact O-N 3.31Å; V7-R10 VanDerWaalsContact O-N 3.1Å; V7-D11 VanDerWaalsContact CG1-OD2 3.28Å; V7-D11 WeakPolarHBondContact CG1-OD2 3.25Å; V7-D11 PolarHBondContact O-N 3.21Å
8K95.2Very high83.8Confident73 Ų7384.2 Ų84.232%0.31748%0.477SS..Hα-helixtrans-56.8-39.2177.2-167.5174.6-172.11760113.8S6 F12 S23 A24 V25 I28S6-K8 PolarHBondContact O-N 2.97Å; K8-F12 VanDerWaalsContact O-CB 3.25Å; K8-F12 WeakPolarHBondContact O-CB 3.46Å; K8-F12 PolarHBondContact O-N 3.26Å; K8-S23 WeakPolarHBondContact CE-O 3.13Å; K8-S23 PolarHBondContact NZ-O 3.08Å; K8-A24 WeakPolarHBondContact CE-O 3.33Å; K8-A24 VanDerWaalsContact CG-O 3.26Å; K8-A24 WeakPolarHBondContact CG-O 3.42Å; K8-V25 WeakPolarHBondContact CE-O 3.46Å; K8-V25 PolarHBondContact NZ-O 3.49Å; K8-I28 PolarHBondContact NZ-O 2.89Å
9H96.9Very high84.3Confident12 Ų1282.9 Ų82.96%0.05648%0.484CS..Hα-helixtrans-63.9-51.8175.1-174.3129.5000110.4S6 V7 D11 F12 V13 A26 C82 E85S6-H9 WeakPolarHBondContact O-CB 3.47Å; S6-H9 PolarHBondContact O-N 3.34Å; S6-H9 WeakPolarHBondContact OG-CB 3.39Å; S6-H9 PolarHBondContact OG-N 3.23Å; S6-H9 VanDerWaalsContact OG-N 3.08Å; V7-H9 VanDerWaalsContact C-N 3.29Å; V7-H9 PolarHBondContact O-N 3.24Å; H9-D11 VanDerWaalsContact C-N 3.33Å; H9-D11 PolarHBondContact O-N 3.28Å; H9-F12 PolarHBondContact O-N 3.41Å; H9-V13 WeakPolarHBondContact O-CG1 3.04Å; H9-V13 WeakPolarHBondContact O-CG2 3.35Å; H9-V13 PolarHBondContact O-N 3.12Å; H9-A26 HydrophobicContact CB-CB 3.69Å; H9-C82 VanDerWaalsContact CE1-CA 3.41Å; H9-C82 WeakPolarHBondContact CE1-CA 3.5Å; H9-E85 IonicContact CD2-OE2 3.62Å; H9-E85 IonicContact CE1-OE2 3.62Å; H9-E85 IonicContact NE2-OE2 2.7Å; H9-E85 PolarHBondContact NE2-OE2 3.1Å
10R95.6Very high85Confident131 Ų13180.7 Ų80.749%0.49447%0.469SS..Hα-helixtrans-57.5-47.9-179.5-177.8178.261-142.7-1.1111.3S6 V7 F12 V13 T14S6-R10 PolarHBondContact O-N 2.83Å; S6-R10 VanDerWaalsContact O-N 3.09Å; V7-R10 WeakPolarHBondContact O-CB 3.48Å; V7-R10 PolarHBondContact O-N 3.31Å; V7-R10 VanDerWaalsContact O-N 3.1Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 2.81Å; R10-V13 WeakPolarHBondContact O-CG2 3.47Å; R10-V13 PolarHBondContact O-N 3.43Å; R10-T14 WeakPolarHBondContact O-CG2 3.42Å; R10-T14 PolarHBondContact O-N 3.22Å; R10-T14 PolarHBondContact O-OG1 3.02Å
11D94.6Very high85.6Confident76 Ų7679.6 Ų79.641%0.40646%0.461SS..Hα-helixtrans-67.2-32.1-178.3-58.1-9000111.6V7 H9 T14V7-D11 VanDerWaalsContact CG1-OD2 3.28Å; V7-D11 WeakPolarHBondContact CG1-OD2 3.25Å; V7-D11 PolarHBondContact O-N 3.21Å; H9-D11 VanDerWaalsContact C-N 3.33Å; H9-D11 PolarHBondContact O-N 3.28Å; D11-T14 PolarHBondContact O-OG1 2.82Å
12F96.8Very high88.7Confident3 Ų368.4 Ų68.41%0.01341%0.406CS..Hα-helixtrans-69.5-45.8176-169.5-86.5000112K8 H9 R10 T14 M17 K20 A24 V25 A44 C82 F83 W86K8-F12 VanDerWaalsContact O-CB 3.25Å; K8-F12 WeakPolarHBondContact O-CB 3.46Å; K8-F12 PolarHBondContact O-N 3.26Å; H9-F12 PolarHBondContact O-N 3.41Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 2.81Å; F12-T14 PolarHBondContact O-N 3.3Å; F12-M17 HydrophobicContact CE1-CB 4.28Å; F12-M17 HydrophobicContact CE1-CE 4.33Å; F12-M17 HydrophobicContact CE2-CB 4.33Å; F12-M17 HydrophobicContact CZ-CB 3.67Å; F12-M17 HydrophobicContact CZ-CE 4.4Å; F12-K20 HydrophobicContact CD2-CD 4.07Å; F12-K20 HydrophobicContact CE2-CD 4.03Å; F12-A24 HydrophobicContact CD2-CB 4.31Å; F12-V25 HydrophobicContact CD2-CG2 4.36Å; F12-V25 HydrophobicContact CE2-CB 4.48Å; F12-V25 HydrophobicContact CE2-CG2 3.72Å; F12-V25 HydrophobicContact CZ-CG2 4Å; F12-A44 HydrophobicContact CE2-CB 3.79Å; F12-A44 HydrophobicContact CZ-CB 3.91Å; F12-C82 VanDerWaalsContact CD1-SG 3.53Å; F12-F83 HydrophobicContact CE1-CD1 4.07Å; F12-F83 HydrophobicContact CE1-CE1 4.02Å; F12-F83 HydrophobicContact CZ-CD1 4.39Å; F12-F83 AromaticContact CZ-CE1 3.87Å; F12-F83 HydrophobicContact CZ-CE1 3.87Å; F12-W86 AromaticContact CD1-CD1 3.94Å; F12-W86 HydrophobicContact CD1-CG 4.49Å; F12-W86 HydrophobicContact CE1-CB 4.35Å; F12-W86 AromaticContact CE1-CD1 3.79Å; F12-W86 HydrophobicContact CE1-CG 4.13Å
13V96.6Very high91.4Very high5 Ų562.8 Ų62.83%0.0337%0.372CS..Hα-helixtrans-74.2-21.9-174.8-59.20000113.8H9 R10 E15 E85 W86 Q89 H90H9-V13 WeakPolarHBondContact O-CG1 3.04Å; H9-V13 WeakPolarHBondContact O-CG2 3.35Å; H9-V13 PolarHBondContact O-N 3.12Å; R10-V13 WeakPolarHBondContact O-CG2 3.47Å; R10-V13 PolarHBondContact O-N 3.43Å; V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 PolarHBondContact O-N 2.97Å; V13-E85 HydrophobicContact CB-CG 4.37Å; V13-E85 HydrophobicContact CG1-CB 4.08Å; V13-E85 HydrophobicContact CG1-CG 4.04Å; V13-W86 HydrophobicContact CG1-CB 4.34Å; V13-Q89 PolarHBondContact O-OE1 3.16Å; V13-H90 PolarHBondContact O-NE2 3.24Å
14T94.4Very high93.4Very high87 Ų8758.4 Ų58.453%0.53435%0.349SS..THydrogen-bonded Turntrans-79.4-9-178.648.30000114.7R10 D11 F12R10-T14 WeakPolarHBondContact O-CG2 3.42Å; R10-T14 PolarHBondContact O-N 3.22Å; R10-T14 PolarHBondContact O-OG1 3.02Å; D11-T14 PolarHBondContact O-OG1 2.82Å; F12-T14 PolarHBondContact O-N 3.3Å
15E90.5Very high94.7Very high108 Ų10851.9 Ų51.951%0.50531%0.309SS..SBendtrans-136.3168.3-171.1-54.9176.9167.400111.8V13 K20 W86V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 PolarHBondContact O-N 2.97Å; E15-K20 IonicContact OE2-NZ 3.55Å; E15-K20 PolarHBondContact OE2-NZ 3.15Å; E15-W86 PolarHBondContact O-NE1 3.24Å
16S92.8Very high95.4Very high75 Ų7548.1 Ų48.152%0.52429%0.286SS..  trans-59.8142.4170.1-179.80000111.5A18 K20S16-A18 VanDerWaalsContact C-N 3.34Å; S16-A18 WeakPolarHBondContact OG-CB 3.4Å; S16-A18 PolarHBondContact OG-N 3.22Å; S16-K20 WeakPolarHBondContact O-CE 3.26Å
17M95Very high95.6Very high11 Ų1146 Ų465%0.05427%0.273CS..  trans-84.2-6.817370.9165.872.300114.1F12 G19 K20 F48 F83 W86F12-M17 HydrophobicContact CE1-CB 4.28Å; F12-M17 HydrophobicContact CE1-CE 4.33Å; F12-M17 HydrophobicContact CE2-CB 4.33Å; F12-M17 HydrophobicContact CZ-CB 3.67Å; F12-M17 HydrophobicContact CZ-CE 4.4Å; M17-G19 PolarHBondContact O-N 3.3Å; M17-K20 WeakPolarHBondContact O-CB 3.41Å; M17-K20 PolarHBondContact O-N 3.23Å; M17-K20 VanDerWaalsContact O-N 3.15Å; M17-F48 HydrophobicContact CE-CB 3.78Å; M17-F48 HydrophobicContact CE-CD1 3.43Å; M17-F48 VanDerWaalsContact CE-CD1 3.43Å; M17-F48 HydrophobicContact CE-CD2 3.66Å; M17-F48 HydrophobicContact CE-CE1 3.8Å; M17-F48 HydrophobicContact CE-CE2 4.01Å; M17-F48 HydrophobicContact CE-CG 3.34Å; M17-F48 HydrophobicContact CE-CZ 4.07Å; M17-F48 HydrophobicContact SD-CB 3.57Å; M17-F48 VanDerWaalsContact SD-CB 3.57Å; M17-F48 HydrophobicContact SD-CD1 3.65Å; M17-F48 HydrophobicContact SD-CE1 4.45Å; M17-F48 HydrophobicContact SD-CG 3.69Å; M17-F83 HydrophobicContact CE-CD1 4.49Å; M17-W86 HydrophobicContact CB-CZ2 4.29Å; M17-W86 HydrophobicContact CE-CD2 3.36Å; M17-W86 HydrophobicContact CE-CE3 3.31Å; M17-W86 HydrophobicContact CE-CG 3.97Å; M17-W86 HydrophobicContact CE-CH2 3.93Å; M17-W86 HydrophobicContact CE-CZ2 3.97Å; M17-W86 HydrophobicContact CE-CZ3 3.61Å; M17-W86 HydrophobicContact CG-CH2 4.23Å; M17-W86 HydrophobicContact CG-CZ2 3.9Å
18A91.2Very high95.8Very high75 Ų7542 Ų4262%0.6225%0.249SC*.THydrogen-bonded Turntrans-58.7127.3-176.300000111.4S16 K20S16-A18 VanDerWaalsContact C-N 3.34Å; S16-A18 WeakPolarHBondContact OG-CB 3.4Å; S16-A18 PolarHBondContact OG-N 3.22Å; A18-K20 PolarHBondContact O-N 2.85Å
19G93.4Very high95.9Very high60 Ų6040 Ų4062%0.61925%0.248SC*.THydrogen-bonded Turntrans70.93.6179.400000115.5M17M17-G19 PolarHBondContact O-N 3.3Å
20K97.3Very high95.9Very high39 Ų3944.5 Ų44.517%0.1727%0.269CS..  trans-74.3129.2172.4-67.4-170.2177-1790109.2F12 E15 S16 M17 A18 A24 A44F12-K20 HydrophobicContact CD2-CD 4.07Å; F12-K20 HydrophobicContact CE2-CD 4.03Å; E15-K20 IonicContact OE2-NZ 3.55Å; E15-K20 PolarHBondContact OE2-NZ 3.15Å; S16-K20 WeakPolarHBondContact O-CE 3.26Å; M17-K20 WeakPolarHBondContact O-CB 3.41Å; M17-K20 PolarHBondContact O-N 3.23Å; M17-K20 VanDerWaalsContact O-N 3.15Å; A18-K20 PolarHBondContact O-N 2.85Å; K20-A24 HydrophobicContact CB-CB 4.03Å; K20-A24 HydrophobicContact CD-CB 4.38Å; K20-A44 HydrophobicContact CB-CB 4.2Å; K20-A44 WeakPolarHBondContact O-CB 3.47Å; K20-A44 PolarHBondContact O-N 3.2Å
21D98.2Very high95.9Very high57 Ų5741.9 Ų41.931%0.30528%0.276SS..BIsolated β-bridgetrans-59.3149.6169.6179.8-82.8000110.3S23 A24 R37D21-S23 PolarHBondContact O-N 2.86Å; D21-S23 VanDerWaalsContact O-N 3.11Å; D21-S23 WeakPolarHBondContact OD1-CA 3.33Å; D21-S23 WeakPolarHBondContact OD1-CB 3.25Å; D21-S23 PolarHBondContact OD1-N 3.32Å; D21-S23 PolarHBondContact OD1-OG 3.13Å; D21-S23 VanDerWaalsContact OD1-OG 3.11Å; D21-A24 WeakPolarHBondContact O-CB 3.49Å; D21-A24 PolarHBondContact O-N 3.12Å; D21-R37 IonicContact OD1-CZ 3.33Å; D21-R37 IonicContact OD1-NE 2.87Å; D21-R37 IonicContact OD1-NH2 3.08Å; D21-R37 PolarHBondContact OD1-NH2 2.87Å; D21-R37 IonicContact OD2-CZ 3.53Å; D21-R37 IonicContact OD2-NE 2.92Å; D21-R37 PolarHBondContact OD2-NE 2.69Å; D21-R37 IonicContact OD2-NH2 3.51Å; D21-R37 PolarHBondContact OD2-NH2 2.73Å; D21-R37 VanDerWaalsContact OD2-NH2 3.08Å
22V98.3Very high96.1Very high0 Ų040.3 Ų40.30%027%0.265CS..G310 helixtrans-56.9-27.718073.50000112.8A24 V25 I28 A33 L36 R37 F41 D42 L47V22-A24 PolarHBondContact O-N 2.89Å; V22-V25 WeakPolarHBondContact O-CG2 3.31Å; V22-V25 PolarHBondContact O-N 3.25Å; V22-I28 HydrophobicContact CG2-CG2 4.47Å; V22-A33 HydrophobicContact CG1-CB 3.73Å; V22-L36 HydrophobicContact CG1-CB 4.22Å; V22-L36 HydrophobicContact CG2-CB 4.36Å; V22-L36 HydrophobicContact CG2-CD1 3.75Å; V22-R37 HydrophobicContact CG1-CG 4.29Å; V22-F41 WeakPolarHBondContact CB-O 3.14Å; V22-F41 WeakPolarHBondContact CG1-O 3.46Å; V22-D42 WeakPolarHBondContact CB-O 3.43Å; V22-D42 PolarHBondContact N-O 3.37Å; V22-L47 HydrophobicContact CG2-CB 4.17Å; V22-L47 HydrophobicContact CG2-CD2 3.68Å; V22-L47 HydrophobicContact CG2-CG 4.49Å
23S97.7Very high96.2Very high22 Ų2240.2 Ų40.215%0.15426%0.264CS..G310 helixtrans-71.8-3.8173.794.90000113.3K8 D21 V25 E30 A33K8-S23 WeakPolarHBondContact CE-O 3.13Å; K8-S23 PolarHBondContact NZ-O 3.08Å; D21-S23 PolarHBondContact O-N 2.86Å; D21-S23 VanDerWaalsContact O-N 3.11Å; D21-S23 WeakPolarHBondContact OD1-CA 3.33Å; D21-S23 WeakPolarHBondContact OD1-CB 3.25Å; D21-S23 PolarHBondContact OD1-N 3.32Å; D21-S23 PolarHBondContact OD1-OG 3.13Å; D21-S23 VanDerWaalsContact OD1-OG 3.11Å; S23-V25 VanDerWaalsContact C-N 3.34Å; S23-E30 WeakPolarHBondContact CB-OE1 3.44Å; S23-E30 PolarHBondContact OG-OE1 2.81Å; S23-A33 VanDerWaalsContact CB-CB 3.47Å
24A97.3Very high96.2Very high34 Ų3446 Ų4628%0.28129%0.289SS..G310 helixtrans-78.8-19.716900000112.4K8 F12 K20 D21 V22K8-A24 WeakPolarHBondContact CE-O 3.33Å; K8-A24 VanDerWaalsContact CG-O 3.26Å; K8-A24 WeakPolarHBondContact CG-O 3.42Å; F12-A24 HydrophobicContact CD2-CB 4.31Å; K20-A24 HydrophobicContact CB-CB 4.03Å; K20-A24 HydrophobicContact CD-CB 4.38Å; D21-A24 WeakPolarHBondContact O-CB 3.49Å; D21-A24 PolarHBondContact O-N 3.12Å; V22-A24 PolarHBondContact O-N 2.89Å
25V97.8Very high96.3Very high0 Ų046.5 Ų46.50%028%0.284CS..SBendtrans-73.4137.9-175.5-170.50000110.7K8 F12 V22 S23 I28 A44 C79 F83K8-V25 WeakPolarHBondContact CE-O 3.46Å; K8-V25 PolarHBondContact NZ-O 3.49Å; F12-V25 HydrophobicContact CD2-CG2 4.36Å; F12-V25 HydrophobicContact CE2-CB 4.48Å; F12-V25 HydrophobicContact CE2-CG2 3.72Å; F12-V25 HydrophobicContact CZ-CG2 4Å; V22-V25 WeakPolarHBondContact O-CG2 3.31Å; V22-V25 PolarHBondContact O-N 3.25Å; S23-V25 VanDerWaalsContact C-N 3.34Å; V25-I28 HydrophobicContact CB-CB 4.43Å; V25-I28 HydrophobicContact CB-CG1 4Å; V25-I28 HydrophobicContact CG1-CG1 4.4Å; V25-I28 PolarHBondContact O-N 3.46Å; V25-I28 VanDerWaalsContact O-N 3.12Å; V25-A44 HydrophobicContact CG2-CB 3.65Å; V25-C79 VanDerWaalsContact CG1-SG 3.59Å; V25-F83 HydrophobicContact CB-CZ 4.38Å; V25-F83 HydrophobicContact CG1-CD1 4.34Å; V25-F83 HydrophobicContact CG1-CE1 3.77Å; V25-F83 HydrophobicContact CG1-CE2 4.22Å; V25-F83 HydrophobicContact CG1-CZ 3.71Å; V25-F83 HydrophobicContact CG2-CE1 3.86Å; V25-F83 HydrophobicContact CG2-CZ 3.76Å
26A97.5Very high96.7Very high0 Ų041.4 Ų41.40%026%0.26CS..THydrogen-bonded Turntrans-58.3143.1174.200000110.9H9 I28 C79 C82H9-A26 HydrophobicContact CB-CB 3.69Å; A26-I28 PolarHBondContact O-N 2.87Å; A26-C79 WeakPolarHBondContact O-CA 3.32Å; A26-C79 WeakPolarHBondContact O-CB 3.43Å; A26-C79 PolarHBondContact O-N 3.15Å; A26-C82 HydrophobicContact CB-CB 3.84Å
27G97.4Very high97Very high14 Ų1441.8 Ų41.814%0.14425%0.25CC..THydrogen-bonded Turntrans82-23.3-17400000114.6H75G27-H75 WeakPolarHBondContact CA-O 3.43Å; G27-H75 VanDerWaalsContact O-CB 3.31Å; G27-H75 WeakPolarHBondContact O-CB 3.49Å; G27-H75 PolarHBondContact O-ND1 3.46Å
28I98Very high97.1Very high1 Ų147.4 Ų47.41%0.00528%0.276CS..  trans-94.2109.7178.4-50.6-54.3000110.1K8 V22 V25 A26 A33 L36 L47 L65 C79K8-I28 PolarHBondContact NZ-O 2.89Å; V22-I28 HydrophobicContact CG2-CG2 4.47Å; V25-I28 HydrophobicContact CB-CB 4.43Å; V25-I28 HydrophobicContact CB-CG1 4Å; V25-I28 HydrophobicContact CG1-CG1 4.4Å; V25-I28 PolarHBondContact O-N 3.46Å; V25-I28 VanDerWaalsContact O-N 3.12Å; A26-I28 PolarHBondContact O-N 2.87Å; I28-A33 HydrophobicContact CG2-CB 4.01Å; I28-L36 HydrophobicContact CD1-CD1 4.18Å; I28-L36 HydrophobicContact CG2-CD1 3.93Å; I28-L47 HydrophobicContact CG1-CD2 4.44Å; I28-L65 HydrophobicContact CD1-CD2 4Å; I28-C79 HydrophobicContact CD1-CB 4.06Å; I28-C79 HydrophobicContact CG1-CB 4.37Å
29G96.2Very high97.4Very high29 Ų2949.8 Ų49.830%0.29927%0.274SS..  trans-94.8169.117000000111.5A31 Y32 A33G29-A31 PolarHBondContact O-N 3.47Å; G29-A31 VanDerWaalsContact O-N 3.11Å; G29-Y32 PolarHBondContact O-N 3.19Å; G29-A33 PolarHBondContact O-N 2.92Å
30E97.3Very high97.6Very high107 Ų10749 Ų4950%0.527%0.266SS..Hα-helixtrans-54.8-34.6-175.9-77.3-56.3141.600114.4S23 Y32 A33 K34 R37S23-E30 WeakPolarHBondContact CB-OE1 3.44Å; S23-E30 PolarHBondContact OG-OE1 2.81Å; E30-Y32 VanDerWaalsContact C-N 3.33Å; E30-Y32 PolarHBondContact O-N 3.22Å; E30-A33 PolarHBondContact O-N 3.41Å; E30-K34 WeakPolarHBondContact O-CB 3.39Å; E30-K34 PolarHBondContact O-N 2.99Å; E30-R37 IonicContact OE1-NH2 3.15Å; E30-R37 IonicContact OE2-CZ 2.75Å; E30-R37 IonicContact OE2-NH1 2.69Å; E30-R37 PolarHBondContact OE2-NH1 2.92Å; E30-R37 IonicContact OE2-NH2 3.5Å; E30-R37 PolarHBondContact OE2-NH2 3.11Å; E30-R37 VanDerWaalsContact OE2-NH2 3.15Å
31A96.5Very high97.6Very high76 Ų7648.6 Ų48.663%0.62827%0.265SS*.Hα-helixtrans-63.4-37.7176.100000112.9G29G29-A31 PolarHBondContact O-N 3.47Å; G29-A31 VanDerWaalsContact O-N 3.11Å
32Y97.7Very high97.6Very high44 Ų4449.7 Ų49.717%0.17327%0.27CS..Hα-helixtrans-79.9-39.6175.4-59.4-47.9000111.2G29 E30 K34 K35 L36 V71 N72 H75G29-Y32 PolarHBondContact O-N 3.19Å; E30-Y32 VanDerWaalsContact C-N 3.33Å; E30-Y32 PolarHBondContact O-N 3.22Å; Y32-K34 VanDerWaalsContact C-N 3.28Å; Y32-K34 PolarHBondContact O-N 3.36Å; Y32-K35 PolarHBondContact O-N 3.11Å; Y32-L36 WeakPolarHBondContact O-CG 3.19Å; Y32-L36 PolarHBondContact O-N 2.88Å; Y32-V71 HydrophobicContact CD1-CB 4.44Å; Y32-V71 HydrophobicContact CD1-CG2 3.89Å; Y32-V71 HydrophobicContact CD2-CG1 4.12Å; Y32-V71 HydrophobicContact CD2-CG2 4.34Å; Y32-V71 HydrophobicContact CE1-CB 4.46Å; Y32-V71 HydrophobicContact CE1-CG2 4.39Å; Y32-V71 HydrophobicContact CE2-CG1 4.05Å; Y32-V71 HydrophobicContact CG-CG1 4.46Å; Y32-V71 HydrophobicContact CG-CG2 3.87Å; Y32-N72 PolarHBondContact OH-ND2 3.39Å; Y32-H75 HydrophobicContact CE2-CB 4.08Å; Y32-H75 AromaticContact CE2-CG 3.95Å
33A98.2Very high97.6Very high0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-58.3-41.3176.400000111.6V22 S23 I28 G29 E30 K35 L36 R37V22-A33 HydrophobicContact CG1-CB 3.73Å; S23-A33 VanDerWaalsContact CB-CB 3.47Å; I28-A33 HydrophobicContact CG2-CB 4.01Å; G29-A33 PolarHBondContact O-N 2.92Å; E30-A33 PolarHBondContact O-N 3.41Å; A33-K35 PolarHBondContact O-N 3.04Å; A33-L36 PolarHBondContact O-N 3.45Å; A33-R37 WeakPolarHBondContact O-CB 3.42Å; A33-R37 VanDerWaalsContact O-CG 3.25Å; A33-R37 WeakPolarHBondContact O-CG 3.35Å; A33-R37 PolarHBondContact O-N 2.75Å
34K97.7Very high97.6Very high126 Ų12652.5 Ų52.555%0.54828%0.281SS..Hα-helixtrans-56.3-48.3175.4-177.7178.5172.7-176.70112.1E30 Y32 R37 E38E30-K34 WeakPolarHBondContact O-CB 3.39Å; E30-K34 PolarHBondContact O-N 2.99Å; Y32-K34 VanDerWaalsContact C-N 3.28Å; Y32-K34 PolarHBondContact O-N 3.36Å; K34-R37 PolarHBondContact O-N 3.15Å; K34-E38 WeakPolarHBondContact CE-OE1 3.37Å; K34-E38 IonicContact NZ-OE1 2.73Å; K34-E38 WeakPolarHBondContact O-CG 3.41Å; K34-E38 PolarHBondContact O-N 3.11Å
35K97.2Very high97.6Very high99 Ų9952.7 Ų52.743%0.4328%0.281SS..Hα-helixtrans-63.9-42.1177.9-63.6-178.9-179.2-175.20111.9Y32 A33 E38 E39 A69Y32-K35 PolarHBondContact O-N 3.11Å; A33-K35 PolarHBondContact O-N 3.04Å; K35-E38 PolarHBondContact O-N 3.42Å; K35-E39 PolarHBondContact O-N 2.85Å; K35-A69 WeakPolarHBondContact CD-O 3.3Å
36L98.4Very high97.6Very high0 Ų055.5 Ų55.50%030%0.297CS..Hα-helixtrans-62.5-45.7177.6-73.2167.6000111.3V22 I28 Y32 A33 E38 E39 G40 F41 L47 L65 F68 A69V22-L36 HydrophobicContact CG1-CB 4.22Å; V22-L36 HydrophobicContact CG2-CB 4.36Å; V22-L36 HydrophobicContact CG2-CD1 3.75Å; I28-L36 HydrophobicContact CD1-CD1 4.18Å; I28-L36 HydrophobicContact CG2-CD1 3.93Å; Y32-L36 WeakPolarHBondContact O-CG 3.19Å; Y32-L36 PolarHBondContact O-N 2.88Å; A33-L36 PolarHBondContact O-N 3.45Å; L36-E38 VanDerWaalsContact C-N 3.33Å; L36-E38 PolarHBondContact O-N 3.18Å; L36-E39 CarbonylContact O-C 3.57Å; L36-E39 PolarHBondContact O-N 3.12Å; L36-E39 VanDerWaalsContact O-N 3.12Å; L36-G40 PolarHBondContact O-N 3.4Å; L36-F41 CarbonylContact C-O 3.55Å; L36-F41 HydrophobicContact CB-CB 3.91Å; L36-F41 HydrophobicContact CD2-CB 4.05Å; L36-F41 HydrophobicContact CD2-CG 4.41Å; L36-F41 WeakPolarHBondContact O-CA 3.38Å; L36-F41 WeakPolarHBondContact O-CB 3.13Å; L36-F41 PolarHBondContact O-N 3.27Å; L36-L47 HydrophobicContact CD1-CD2 4.25Å; L36-L47 HydrophobicContact CD2-CD1 4.18Å; L36-L65 HydrophobicContact CD2-CD1 4.08Å; L36-F68 HydrophobicContact CD2-CD1 4.25Å; L36-F68 HydrophobicContact CD2-CE1 4.25Å; L36-A69 HydrophobicContact CD2-CB 3.78Å; L36-A69 HydrophobicContact CG-CB 4.12Å
37R98.1Very high97.7Very high83 Ų8355.5 Ų55.531%0.31330%0.297SS..Hα-helixtrans-58.4-42.7174.3-70.6172.6-166137.83.1111.9D21 V22 E30 A33 K34 E39 G40 D42D21-R37 IonicContact OD1-CZ 3.33Å; D21-R37 IonicContact OD1-NE 2.87Å; D21-R37 IonicContact OD1-NH2 3.08Å; D21-R37 PolarHBondContact OD1-NH2 2.87Å; D21-R37 IonicContact OD2-CZ 3.53Å; D21-R37 IonicContact OD2-NE 2.92Å; D21-R37 PolarHBondContact OD2-NE 2.69Å; D21-R37 IonicContact OD2-NH2 3.51Å; D21-R37 PolarHBondContact OD2-NH2 2.73Å; D21-R37 VanDerWaalsContact OD2-NH2 3.08Å; V22-R37 HydrophobicContact CG1-CG 4.29Å; E30-R37 IonicContact OE1-NH2 3.15Å; E30-R37 IonicContact OE2-CZ 2.75Å; E30-R37 IonicContact OE2-NH1 2.69Å; E30-R37 PolarHBondContact OE2-NH1 2.92Å; E30-R37 IonicContact OE2-NH2 3.5Å; E30-R37 PolarHBondContact OE2-NH2 3.11Å; E30-R37 VanDerWaalsContact OE2-NH2 3.15Å; A33-R37 WeakPolarHBondContact O-CB 3.42Å; A33-R37 VanDerWaalsContact O-CG 3.25Å; A33-R37 WeakPolarHBondContact O-CG 3.35Å; A33-R37 PolarHBondContact O-N 2.75Å; K34-R37 PolarHBondContact O-N 3.15Å; R37-E39 PolarHBondContact O-N 3.08Å; R37-G40 PolarHBondContact O-N 3.18Å; R37-D42 HydrophobicContact CB-CB 4.3Å; R37-D42 HydrophobicContact CG-CB 3.83Å
38E97.3Very high97.7Very high129 Ų12955.4 Ų55.460%0.60329%0.293SS*.Hα-helixtrans-60.4-29.8177.3-75.3168.8178.600112.6K34 K35 L36K34-E38 WeakPolarHBondContact CE-OE1 3.37Å; K34-E38 IonicContact NZ-OE1 2.73Å; K34-E38 WeakPolarHBondContact O-CG 3.41Å; K34-E38 PolarHBondContact O-N 3.11Å; K35-E38 PolarHBondContact O-N 3.42Å; L36-E38 VanDerWaalsContact C-N 3.33Å; L36-E38 PolarHBondContact O-N 3.18Å
39E97.3Very high97.7Very high126 Ų12656.8 Ų56.859%0.58931%0.307SS*.THydrogen-bonded Turntrans-94.47.2176.7-62.3-65.9141.500114K35 L36 R37 F41 F68K35-E39 PolarHBondContact O-N 2.85Å; L36-E39 CarbonylContact O-C 3.57Å; L36-E39 PolarHBondContact O-N 3.12Å; L36-E39 VanDerWaalsContact O-N 3.12Å; R37-E39 PolarHBondContact O-N 3.08Å; E39-F41 HydrophobicContact CB-CD2 4.2Å; E39-F68 HydrophobicContact CB-CE1 3.85Å; E39-F68 HydrophobicContact CB-CZ 3.55Å; E39-F68 HydrophobicContact CG-CE1 4.11Å; E39-F68 HydrophobicContact CG-CZ 3.83Å
40G97.6Very high97.8Very high44 Ų4457.3 Ų57.345%0.45430%0.302SS..THydrogen-bonded Turntrans85.313.817900000115.7L36 R37L36-G40 PolarHBondContact O-N 3.4Å; R37-G40 PolarHBondContact O-N 3.18Å
41F98.3Very high97.9Very high30 Ų3052.2 Ų52.213%0.13228%0.278CS..  trans-100.356.3171.8-68.1-92.6000110.6V22 L36 E39 V46 L47 Q50 W64 F68V22-F41 WeakPolarHBondContact CB-O 3.14Å; V22-F41 WeakPolarHBondContact CG1-O 3.46Å; L36-F41 CarbonylContact C-O 3.55Å; L36-F41 HydrophobicContact CB-CB 3.91Å; L36-F41 HydrophobicContact CD2-CB 4.05Å; L36-F41 HydrophobicContact CD2-CG 4.41Å; L36-F41 WeakPolarHBondContact O-CA 3.38Å; L36-F41 WeakPolarHBondContact O-CB 3.13Å; L36-F41 PolarHBondContact O-N 3.27Å; E39-F41 HydrophobicContact CB-CD2 4.2Å; F41-V46 HydrophobicContact CD1-CB 4.48Å; F41-V46 HydrophobicContact CD1-CG1 3.73Å; F41-V46 HydrophobicContact CE1-CG1 4.09Å; F41-V46 HydrophobicContact CG-CG1 4.33Å; F41-L47 HydrophobicContact CD1-CB 4.25Å; F41-L47 HydrophobicContact CD1-CD1 3.83Å; F41-L47 HydrophobicContact CE1-CD1 4.37Å; F41-L47 HydrophobicContact CG-CD1 4.44Å; F41-Q50 HydrophobicContact CE1-CB 4.02Å; F41-W64 HydrophobicContact CD1-CH2 4.48Å; F41-W64 AromaticContact CE1-CH2 3.97Å; F41-W64 HydrophobicContact CE1-CH2 3.97Å; F41-W64 HydrophobicContact CE1-CZ2 4.38Å; F41-W64 HydrophobicContact CE2-CH2 4.44Å; F41-W64 HydrophobicContact CE2-CZ2 4.39Å; F41-W64 AromaticContact CZ-CH2 3.93Å; F41-W64 HydrophobicContact CZ-CH2 3.93Å; F41-W64 AromaticContact CZ-CZ2 3.92Å; F41-W64 HydrophobicContact CZ-CZ2 3.92Å; F41-F68 AromaticContact CD2-CE1 3.54Å; F41-F68 HydrophobicContact CD2-CE1 3.54Å; F41-F68 AromaticContact CD2-CZ 3.81Å; F41-F68 HydrophobicContact CD2-CZ 3.81Å; F41-F68 AromaticContact CE2-CE1 3.45Å; F41-F68 HydrophobicContact CE2-CE1 3.45Å; F41-F68 VanDerWaalsContact CE2-CE1 3.45Å; F41-F68 HydrophobicContact CE2-CE2 4.39Å; F41-F68 AromaticContact CE2-CZ 3.37Å; F41-F68 HydrophobicContact CE2-CZ 3.37Å; F41-F68 HydrophobicContact CG-CE1 4.5Å; F41-F68 HydrophobicContact CZ-CE1 4.34Å; F41-F68 HydrophobicContact CZ-CZ 4.35Å
42D97.4Very high98Very high80 Ų8051.4 Ų51.443%0.42826%0.263SS..  trans-80.3-33.4-177.360.2-27.2000113.6V22 R37V22-D42 WeakPolarHBondContact CB-O 3.43Å; V22-D42 PolarHBondContact N-O 3.37Å; R37-D42 HydrophobicContact CB-CB 4.3Å; R37-D42 HydrophobicContact CG-CB 3.83Å
43E98.2Very high98.1Very high80 Ų8055.8 Ų55.837%0.37429%0.288SS..BIsolated β-bridgetrans-96.9146.6174-61-165.1155.900113.2S45 V46 L47E43-S45 VanDerWaalsContact CB-OG 3.26Å; E43-S45 WeakPolarHBondContact CB-OG 3.4Å; E43-S45 PolarHBondContact O-N 3.38Å; E43-S45 PolarHBondContact OE2-OG 2.99Å; E43-V46 HydrophobicContact CB-CG2 4.15Å; E43-V46 PolarHBondContact O-N 2.88Å; E43-V46 VanDerWaalsContact O-N 3.13Å; E43-L47 PolarHBondContact O-N 2.87Å
44A98.4Very high98.1Very high0 Ų057.9 Ų57.90%030%0.3CS..Hα-helixtrans-58.6-32.2172.600000112.3F12 K20 V25 L47 F48F12-A44 HydrophobicContact CE2-CB 3.79Å; F12-A44 HydrophobicContact CZ-CB 3.91Å; K20-A44 HydrophobicContact CB-CB 4.2Å; K20-A44 WeakPolarHBondContact O-CB 3.47Å; K20-A44 PolarHBondContact O-N 3.2Å; V25-A44 HydrophobicContact CG2-CB 3.65Å; A44-L47 PolarHBondContact O-N 2.87Å; A44-F48 VanDerWaalsContact O-CB 3.25Å; A44-F48 WeakPolarHBondContact O-CB 3.21Å; A44-F48 PolarHBondContact O-N 3Å
45S97.8Very high98.1Very high39 Ų3962.9 Ų62.927%0.27332%0.315SS..Hα-helixtrans-60.3-41.1175.561.80000112.5E43 F48 G49E43-S45 VanDerWaalsContact CB-OG 3.26Å; E43-S45 WeakPolarHBondContact CB-OG 3.4Å; E43-S45 PolarHBondContact O-N 3.38Å; E43-S45 PolarHBondContact OE2-OG 2.99Å; S45-F48 PolarHBondContact O-N 3.22Å; S45-G49 PolarHBondContact O-N 3.39Å
46V98Very high98.1Very high58 Ų5862.3 Ų62.335%0.35231%0.312SS..Hα-helixtrans-69.6-45.6-180-179.10000110.1F41 E43 F48 G49 Q50F41-V46 HydrophobicContact CD1-CB 4.48Å; F41-V46 HydrophobicContact CD1-CG1 3.73Å; F41-V46 HydrophobicContact CE1-CG1 4.09Å; F41-V46 HydrophobicContact CG-CG1 4.33Å; E43-V46 HydrophobicContact CB-CG2 4.15Å; E43-V46 PolarHBondContact O-N 2.88Å; E43-V46 VanDerWaalsContact O-N 3.13Å; V46-F48 VanDerWaalsContact C-N 3.32Å; V46-F48 PolarHBondContact O-N 3.05Å; V46-G49 WeakPolarHBondContact O-CA 3.41Å; V46-G49 PolarHBondContact O-N 2.96Å; V46-G49 VanDerWaalsContact O-N 3.12Å; V46-Q50 PolarHBondContact O-N 3.33Å
47L98.4Very high98.1Very high0 Ų064.7 Ų64.70%033%0.325CS..Hα-helixtrans-65-38176.3-169.765.7000111.9V22 I28 L36 F41 E43 A44 G49 Q50 F51 F61 W64 L65 F83V22-L47 HydrophobicContact CG2-CB 4.17Å; V22-L47 HydrophobicContact CG2-CD2 3.68Å; V22-L47 HydrophobicContact CG2-CG 4.49Å; I28-L47 HydrophobicContact CG1-CD2 4.44Å; L36-L47 HydrophobicContact CD1-CD2 4.25Å; L36-L47 HydrophobicContact CD2-CD1 4.18Å; F41-L47 HydrophobicContact CD1-CB 4.25Å; F41-L47 HydrophobicContact CD1-CD1 3.83Å; F41-L47 HydrophobicContact CE1-CD1 4.37Å; F41-L47 HydrophobicContact CG-CD1 4.44Å; E43-L47 PolarHBondContact O-N 2.87Å; A44-L47 PolarHBondContact O-N 2.87Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.38Å; L47-Q50 WeakPolarHBondContact O-CB 3.43Å; L47-Q50 PolarHBondContact O-N 3.14Å; L47-F51 PolarHBondContact O-N 3.37Å; L47-F61 HydrophobicContact CD1-CE2 4.34Å; L47-F61 HydrophobicContact CD1-CZ 4.2Å; L47-F61 HydrophobicContact CD2-CZ 4.42Å; L47-F61 HydrophobicContact CG-CE2 4.45Å; L47-F61 HydrophobicContact CG-CZ 4.05Å; L47-W64 HydrophobicContact CD1-CH2 3.83Å; L47-W64 HydrophobicContact CD1-CZ3 3.65Å; L47-L65 HydrophobicContact CD1-CD1 4.27Å; L47-F83 HydrophobicContact CB-CE2 4.25Å; L47-F83 HydrophobicContact CB-CZ 4.09Å; L47-F83 HydrophobicContact CD2-CE2 3.82Å; L47-F83 HydrophobicContact CD2-CZ 3.98Å; L47-F83 HydrophobicContact CG-CE2 3.77Å; L47-F83 HydrophobicContact CG-CZ 4.06Å
48F98.5Very high98.2Very high13 Ų1364.7 Ų64.76%0.05733%0.329CS..Hα-helixtrans-63.2-37.6172.1-176.3-116.6000112M17 A44 S45 V46 Q50 F51 L52 F83 W86 A87 M91M17-F48 HydrophobicContact CE-CB 3.78Å; M17-F48 HydrophobicContact CE-CD1 3.43Å; M17-F48 VanDerWaalsContact CE-CD1 3.43Å; M17-F48 HydrophobicContact CE-CD2 3.66Å; M17-F48 HydrophobicContact CE-CE1 3.8Å; M17-F48 HydrophobicContact CE-CE2 4.01Å; M17-F48 HydrophobicContact CE-CG 3.34Å; M17-F48 HydrophobicContact CE-CZ 4.07Å; M17-F48 HydrophobicContact SD-CB 3.57Å; M17-F48 VanDerWaalsContact SD-CB 3.57Å; M17-F48 HydrophobicContact SD-CD1 3.65Å; M17-F48 HydrophobicContact SD-CE1 4.45Å; M17-F48 HydrophobicContact SD-CG 3.69Å; A44-F48 VanDerWaalsContact O-CB 3.25Å; A44-F48 WeakPolarHBondContact O-CB 3.21Å; A44-F48 PolarHBondContact O-N 3Å; S45-F48 PolarHBondContact O-N 3.22Å; V46-F48 VanDerWaalsContact C-N 3.32Å; V46-F48 PolarHBondContact O-N 3.05Å; F48-Q50 VanDerWaalsContact C-N 3.26Å; F48-Q50 PolarHBondContact O-N 3.48Å; F48-F51 HydrophobicContact CD2-CB 4.47Å; F48-F51 AromaticContact CD2-CD1 3.89Å; F48-F51 HydrophobicContact CD2-CD1 3.89Å; F48-F51 AromaticContact CE2-CD1 3.7Å; F48-F51 HydrophobicContact CE2-CD1 3.7Å; F48-F51 HydrophobicContact CE2-CE1 4.19Å; F48-F51 WeakPolarHBondContact O-CA 3.12Å; F48-F51 WeakPolarHBondContact O-CB 3.28Å; F48-F51 PolarHBondContact O-N 2.77Å; F48-L52 HydrophobicContact CD1-CD1 3.97Å; F48-L52 HydrophobicContact CD1-CG 4.18Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CD2 3.98Å; F48-L52 HydrophobicContact CE1-CG 3.93Å; F48-L52 HydrophobicContact CE2-CD2 4.27Å; F48-L52 HydrophobicContact CZ-CD1 4.35Å; F48-L52 HydrophobicContact CZ-CD2 3.76Å; F48-L52 HydrophobicContact CZ-CG 4.15Å; F48-L52 WeakPolarHBondContact O-CG 3.22Å; F48-L52 PolarHBondContact O-N 2.91Å; F48-F83 HydrophobicContact CB-CD1 4.28Å; F48-F83 HydrophobicContact CB-CE1 4.02Å; F48-F83 HydrophobicContact CB-CZ 4.21Å; F48-F83 HydrophobicContact CD2-CB 3.85Å; F48-F83 AromaticContact CD2-CD1 3.66Å; F48-F83 HydrophobicContact CD2-CD1 3.66Å; F48-F83 HydrophobicContact CD2-CD2 4.42Å; F48-F83 HydrophobicContact CD2-CE1 4.26Å; F48-F83 AromaticContact CD2-CG 3.75Å; F48-F83 HydrophobicContact CD2-CG 3.75Å; F48-F83 HydrophobicContact CE2-CB 4.08Å; F48-F83 HydrophobicContact CE2-CD1 4.45Å; F48-F83 HydrophobicContact CE2-CG 4.45Å; F48-F83 HydrophobicContact CG-CD1 4.39Å; F48-W86 HydrophobicContact CE1-CE3 4.09Å; F48-W86 AromaticContact CE1-CZ3 3.82Å; F48-W86 HydrophobicContact CE1-CZ3 3.82Å; F48-W86 HydrophobicContact CE2-CE3 4.26Å; F48-W86 AromaticContact CZ-CE3 3.76Å; F48-W86 HydrophobicContact CZ-CE3 3.76Å; F48-W86 AromaticContact CZ-CZ3 3.9Å; F48-W86 HydrophobicContact CZ-CZ3 3.9Å; F48-A87 HydrophobicContact CE2-CB 3.97Å; F48-A87 HydrophobicContact CZ-CB 3.84Å; F48-M91 HydrophobicContact CE1-SD 3.91Å; F48-M91 HydrophobicContact CZ-SD 3.67Å
49G98Very high98.2Very high29 Ų2965.1 Ų65.130%0.29933%0.331SS..Hα-helixtrans-53.6-43.2171.900000112.4S45 V46 L47 L52 L53S45-G49 PolarHBondContact O-N 3.39Å; V46-G49 WeakPolarHBondContact O-CA 3.41Å; V46-G49 PolarHBondContact O-N 2.96Å; V46-G49 VanDerWaalsContact O-N 3.12Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.38Å; G49-L52 WeakPolarHBondContact O-CB 3.32Å; G49-L52 PolarHBondContact O-N 3.39Å; G49-L53 WeakPolarHBondContact O-CG 3.43Å; G49-L53 PolarHBondContact O-N 2.85Å
50Q98.7Very high98.3Very high40 Ų4065 Ų6519%0.18733%0.328CS..Hα-helixtrans-65.3-39.5174.9-177.865.36.700112.9F41 V46 L47 F48 L52 L53 L54 W64F41-Q50 HydrophobicContact CE1-CB 4.02Å; V46-Q50 PolarHBondContact O-N 3.33Å; L47-Q50 WeakPolarHBondContact O-CB 3.43Å; L47-Q50 PolarHBondContact O-N 3.14Å; F48-Q50 VanDerWaalsContact C-N 3.26Å; F48-Q50 PolarHBondContact O-N 3.48Å; Q50-L52 VanDerWaalsContact C-N 3.28Å; Q50-L52 PolarHBondContact O-N 3.22Å; Q50-L53 PolarHBondContact O-N 3.36Å; Q50-L54 PolarHBondContact O-N 2.85Å; Q50-L54 VanDerWaalsContact O-N 3.11Å; Q50-W64 HydrophobicContact CB-CH2 4.22Å; Q50-W64 HydrophobicContact CB-CZ3 4.32Å; Q50-W64 HydrophobicContact CG-CD2 3.82Å; Q50-W64 HydrophobicContact CG-CE3 3.74Å; Q50-W64 HydrophobicContact CG-CH2 3.61Å; Q50-W64 HydrophobicContact CG-CZ2 3.64Å; Q50-W64 HydrophobicContact CG-CZ3 3.63Å
51F98.7Very high98.3Very high0 Ų062.9 Ų62.90%031%0.307CS..Hα-helixtrans-59.2-39.6172.6175.8-110.9000112L47 F48 L54 K56 E58 F61 F83 A84 A87L47-F51 PolarHBondContact O-N 3.37Å; F48-F51 HydrophobicContact CD2-CB 4.47Å; F48-F51 AromaticContact CD2-CD1 3.89Å; F48-F51 HydrophobicContact CD2-CD1 3.89Å; F48-F51 AromaticContact CE2-CD1 3.7Å; F48-F51 HydrophobicContact CE2-CD1 3.7Å; F48-F51 HydrophobicContact CE2-CE1 4.19Å; F48-F51 WeakPolarHBondContact O-CA 3.12Å; F48-F51 WeakPolarHBondContact O-CB 3.28Å; F48-F51 PolarHBondContact O-N 2.77Å; F51-L54 CarbonylContact O-C 3.52Å; F51-L54 PolarHBondContact O-N 3.43Å; F51-K56 HydrophobicContact CD1-CB 4.4Å; F51-K56 HydrophobicContact CD1-CG 4.25Å; F51-K56 HydrophobicContact CE1-CB 3.65Å; F51-K56 HydrophobicContact CE1-CG 3.75Å; F51-K56 VanDerWaalsContact CE2-C 3.5Å; F51-K56 HydrophobicContact CE2-CB 4.3Å; F51-K56 WeakPolarHBondContact CE2-O 3.39Å; F51-K56 HydrophobicContact CZ-CB 3.59Å; F51-K56 HydrophobicContact CZ-CG 4.24Å; F51-K56 WeakPolarHBondContact CZ-O 3.2Å; F51-K56 PolarHBondContact O-N 3.44Å; F51-E58 HydrophobicContact CE2-CG 4.36Å; F51-F61 HydrophobicContact CB-CD2 3.73Å; F51-F61 HydrophobicContact CB-CE2 3.83Å; F51-F61 HydrophobicContact CB-CG 4.24Å; F51-F61 HydrophobicContact CB-CZ 4.43Å; F51-F61 HydrophobicContact CD2-CB 3.72Å; F51-F61 HydrophobicContact CD2-CD1 4.02Å; F51-F61 AromaticContact CD2-CD2 4Å; F51-F61 HydrophobicContact CD2-CD2 4Å; F51-F61 AromaticContact CD2-CG 3.63Å; F51-F61 HydrophobicContact CD2-CG 3.63Å; F51-F61 HydrophobicContact CE2-CB 4.33Å; F51-F61 HydrophobicContact CG-CD2 4.38Å; F51-F61 HydrophobicContact CG-CG 4.42Å; F51-F83 HydrophobicContact CB-CD2 4.18Å; F51-F83 HydrophobicContact CD1-CB 3.74Å; F51-F83 HydrophobicContact CE1-CB 3.9Å; F51-F83 HydrophobicContact CG-CB 4.06Å; F51-F83 HydrophobicContact CG-CD2 4.4Å; F51-F83 HydrophobicContact CZ-CB 4.37Å; F51-A84 HydrophobicContact CZ-CB 4Å; F51-A87 HydrophobicContact CE1-CB 4.49Å
52L98.4Very high98.3Very high60 Ų6061.7 Ų61.731%0.31430%0.303SS..Hα-helixtrans-67.3-40.1175.4-63.2-178.4000112.6F48 G49 Q50 L54 R55 K56 M91F48-L52 HydrophobicContact CD1-CD1 3.97Å; F48-L52 HydrophobicContact CD1-CG 4.18Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CE1-CD2 3.98Å; F48-L52 HydrophobicContact CE1-CG 3.93Å; F48-L52 HydrophobicContact CE2-CD2 4.27Å; F48-L52 HydrophobicContact CZ-CD1 4.35Å; F48-L52 HydrophobicContact CZ-CD2 3.76Å; F48-L52 HydrophobicContact CZ-CG 4.15Å; F48-L52 WeakPolarHBondContact O-CG 3.22Å; F48-L52 PolarHBondContact O-N 2.91Å; G49-L52 WeakPolarHBondContact O-CB 3.32Å; G49-L52 PolarHBondContact O-N 3.39Å; Q50-L52 VanDerWaalsContact C-N 3.28Å; Q50-L52 PolarHBondContact O-N 3.22Å; L52-L54 PolarHBondContact O-N 2.94Å; L52-R55 WeakPolarHBondContact O-CA 3.36Å; L52-R55 PolarHBondContact O-N 3.38Å; L52-K56 HydrophobicContact CD2-CD 4.3Å; L52-K56 VanDerWaalsContact CD2-CE 3.49Å; L52-K56 HydrophobicContact CD2-CG 3.91Å; L52-M91 HydrophobicContact CD1-CE 4.06Å; L52-M91 HydrophobicContact CD1-SD 4.5Å; L52-M91 HydrophobicContact CD2-CE 4.12Å; L52-M91 HydrophobicContact CD2-SD 3.81Å
53L98.6Very high98.4Very high135 Ų13561 Ų6171%0.70730%0.298SS*.Hα-helixtrans-60.8-34.1175.3-73175.3000112G49 Q50 R55G49-L53 WeakPolarHBondContact O-CG 3.43Å; G49-L53 PolarHBondContact O-N 2.85Å; Q50-L53 PolarHBondContact O-N 3.36Å; L53-R55 PolarHBondContact O-N 2.92Å
54L98.7Very high98.4Very high45 Ų4559.3 Ų59.324%0.23629%0.289CS..THydrogen-bonded Turntrans-81.518.3172.4-63.5176.9000113.3Q50 F51 L52 K56 D57 F61 W64Q50-L54 PolarHBondContact O-N 2.85Å; Q50-L54 VanDerWaalsContact O-N 3.11Å; F51-L54 CarbonylContact O-C 3.52Å; F51-L54 PolarHBondContact O-N 3.43Å; L52-L54 PolarHBondContact O-N 2.94Å; L54-K56 PolarHBondContact O-N 2.73Å; L54-D57 WeakPolarHBondContact O-CB 3.5Å; L54-D57 PolarHBondContact O-N 3.15Å; L54-D57 VanDerWaalsContact O-N 3.12Å; L54-F61 HydrophobicContact CD1-CB 4.1Å; L54-F61 HydrophobicContact CD1-CD2 4.22Å; L54-W64 HydrophobicContact CD1-CB 3.85Å; L54-W64 HydrophobicContact CD1-CG 4.13Å
55R98Very high98.4Very high230 Ų23059.3 Ų59.387%0.86829%0.289SS*.THydrogen-bonded Turntrans56.934.1176.9-55.5-173.8178.3-168.9-0.8113.7L52 L53 D57L52-R55 WeakPolarHBondContact O-CA 3.36Å; L52-R55 PolarHBondContact O-N 3.38Å; L53-R55 PolarHBondContact O-N 2.92Å; R55-D57 PolarHBondContact O-N 3.01Å
56K98.2Very high98.4Very high87 Ų8760.9 Ų60.938%0.37829%0.291SS..THydrogen-bonded Turntrans59.920.3-177.7-52179.1179.7-175.70113.6F51 L52 L54 E58 A87 M91F51-K56 HydrophobicContact CD1-CB 4.4Å; F51-K56 HydrophobicContact CD1-CG 4.25Å; F51-K56 HydrophobicContact CE1-CB 3.65Å; F51-K56 HydrophobicContact CE1-CG 3.75Å; F51-K56 VanDerWaalsContact CE2-C 3.5Å; F51-K56 HydrophobicContact CE2-CB 4.3Å; F51-K56 WeakPolarHBondContact CE2-O 3.39Å; F51-K56 HydrophobicContact CZ-CB 3.59Å; F51-K56 HydrophobicContact CZ-CG 4.24Å; F51-K56 WeakPolarHBondContact CZ-O 3.2Å; F51-K56 PolarHBondContact O-N 3.44Å; L52-K56 HydrophobicContact CD2-CD 4.3Å; L52-K56 VanDerWaalsContact CD2-CE 3.49Å; L52-K56 HydrophobicContact CD2-CG 3.91Å; L54-K56 PolarHBondContact O-N 2.73Å; K56-E58 PolarHBondContact O-N 3.43Å; K56-A87 HydrophobicContact CD-CB 4.2Å; K56-M91 PolarHBondContact NZ-SD 3.22Å
57D98.5Very high98.4Very high51 Ų5166.2 Ų66.227%0.27331%0.312SS..  trans-75.2104.1178.1-172.6-45.4000109.4L54 R55 E59 K60 F61L54-D57 WeakPolarHBondContact O-CB 3.5Å; L54-D57 PolarHBondContact O-N 3.15Å; L54-D57 VanDerWaalsContact O-N 3.12Å; R55-D57 PolarHBondContact O-N 3.01Å; D57-E59 VanDerWaalsContact C-N 3.27Å; D57-E59 PolarHBondContact O-N 3.14Å; D57-E59 PolarHBondContact OD1-N 3.32Å; D57-K60 HydrophobicContact CB-CB 4.05Å; D57-K60 HydrophobicContact CB-CD 4.13Å; D57-K60 HydrophobicContact CB-CG 4.27Å; D57-K60 PolarHBondContact O-N 3.19Å; D57-K60 PolarHBondContact OD1-N 2.98Å; D57-K60 WeakPolarHBondContact OD2-CD 3.11Å; D57-K60 VanDerWaalsContact OD2-CE 3.3Å; D57-K60 WeakPolarHBondContact OD2-CE 2.86Å; D57-K60 IonicContact OD2-NZ 3.99Å; D57-K60 PolarHBondContact OD2-NZ 2.7Å; D57-F61 WeakPolarHBondContact O-CB 3.19Å; D57-F61 PolarHBondContact O-N 3.25Å
58E98.5Very high98.3Very high83 Ų8369.9 Ų69.939%0.38833%0.328SS..Hα-helixtrans-59.4-36.3-175.1-72.2-174-11300112.9F51 K56 A62 A80 S81 A84F51-E58 HydrophobicContact CE2-CG 4.36Å; K56-E58 PolarHBondContact O-N 3.43Å; E58-A62 WeakPolarHBondContact O-CB 3.11Å; E58-A62 PolarHBondContact O-N 2.92Å; E58-A80 HydrophobicContact CB-CB 3.98Å; E58-A80 HydrophobicContact CG-CB 4.14Å; E58-S81 VanDerWaalsContact OE2-CA 3.23Å; E58-S81 WeakPolarHBondContact OE2-CA 3.28Å; E58-S81 WeakPolarHBondContact OE2-CB 3.25Å; E58-S81 PolarHBondContact OE2-N 3.12Å; E58-S81 PolarHBondContact OE2-OG 2.72Å; E58-A84 HydrophobicContact CG-CB 3.92Å
59E98.3Very high98.2Very high137 Ų13769.6 Ų69.664%0.6433%0.328SS*.Hα-helixtrans-73.1-49.1-178.6-171.7167.8-155.500110.7D57 F61 A62 D63D57-E59 VanDerWaalsContact C-N 3.27Å; D57-E59 PolarHBondContact O-N 3.14Å; D57-E59 PolarHBondContact OD1-N 3.32Å; E59-F61 VanDerWaalsContact C-N 3.29Å; E59-F61 PolarHBondContact O-N 2.83Å; E59-A62 PolarHBondContact O-N 3.11Å; E59-D63 PolarHBondContact O-N 3.43Å
60K98.5Very high98.1Very high124 Ų12470.3 Ų70.354%0.53934%0.336SS..Hα-helixtrans-61.2-39.2175.9-70.4-179.6-170129.20112.3D57 W64D57-K60 HydrophobicContact CB-CB 4.05Å; D57-K60 HydrophobicContact CB-CD 4.13Å; D57-K60 HydrophobicContact CB-CG 4.27Å; D57-K60 PolarHBondContact O-N 3.19Å; D57-K60 PolarHBondContact OD1-N 2.98Å; D57-K60 WeakPolarHBondContact OD2-CD 3.11Å; D57-K60 VanDerWaalsContact OD2-CE 3.3Å; D57-K60 WeakPolarHBondContact OD2-CE 2.86Å; D57-K60 IonicContact OD2-NZ 3.99Å; D57-K60 PolarHBondContact OD2-NZ 2.7Å; K60-W64 VanDerWaalsContact O-CB 3.31Å; K60-W64 WeakPolarHBondContact O-CB 3.31Å; K60-W64 PolarHBondContact O-N 3.24Å
61F98.8Very high98.1Very high0 Ų068.5 Ų68.50%033%0.327CS..Hα-helixtrans-67.8-43.2176.6176.9-97.6000111.9L47 F51 L54 D57 E59 D63 W64 L65 C79 A80 F83L47-F61 HydrophobicContact CD1-CE2 4.34Å; L47-F61 HydrophobicContact CD1-CZ 4.2Å; L47-F61 HydrophobicContact CD2-CZ 4.42Å; L47-F61 HydrophobicContact CG-CE2 4.45Å; L47-F61 HydrophobicContact CG-CZ 4.05Å; F51-F61 HydrophobicContact CB-CD2 3.73Å; F51-F61 HydrophobicContact CB-CE2 3.83Å; F51-F61 HydrophobicContact CB-CG 4.24Å; F51-F61 HydrophobicContact CB-CZ 4.43Å; F51-F61 HydrophobicContact CD2-CB 3.72Å; F51-F61 HydrophobicContact CD2-CD1 4.02Å; F51-F61 AromaticContact CD2-CD2 4Å; F51-F61 HydrophobicContact CD2-CD2 4Å; F51-F61 AromaticContact CD2-CG 3.63Å; F51-F61 HydrophobicContact CD2-CG 3.63Å; F51-F61 HydrophobicContact CE2-CB 4.33Å; F51-F61 HydrophobicContact CG-CD2 4.38Å; F51-F61 HydrophobicContact CG-CG 4.42Å; L54-F61 HydrophobicContact CD1-CB 4.1Å; L54-F61 HydrophobicContact CD1-CD2 4.22Å; D57-F61 WeakPolarHBondContact O-CB 3.19Å; D57-F61 PolarHBondContact O-N 3.25Å; E59-F61 VanDerWaalsContact C-N 3.29Å; E59-F61 PolarHBondContact O-N 2.83Å; F61-D63 VanDerWaalsContact C-N 3.31Å; F61-D63 PolarHBondContact O-N 2.83Å; F61-W64 AromaticContact CD2-CE3 3.99Å; F61-W64 HydrophobicContact CD2-CE3 3.99Å; F61-W64 HydrophobicContact CD2-CZ3 4.39Å; F61-W64 AromaticContact CE2-CE3 3.85Å; F61-W64 HydrophobicContact CE2-CE3 3.85Å; F61-W64 AromaticContact CE2-CZ3 3.78Å; F61-W64 HydrophobicContact CE2-CZ3 3.78Å; F61-W64 HydrophobicContact CZ-CZ3 4.38Å; F61-W64 PolarHBondContact O-N 2.57Å; F61-L65 HydrophobicContact CE1-CD2 4.02Å; F61-L65 HydrophobicContact CZ-CD2 4.26Å; F61-L65 VanDerWaalsContact O-CB 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.25Å; F61-L65 PolarHBondContact O-N 2.66Å; F61-C79 HydrophobicContact CE1-CB 4.36Å; F61-A80 HydrophobicContact CD1-CB 3.81Å; F61-A80 HydrophobicContact CE1-CB 4.46Å; F61-F83 HydrophobicContact CE1-CD2 4.02Å; F61-F83 HydrophobicContact CE1-CE2 4.27Å; F61-F83 AromaticContact CZ-CD2 3.9Å; F61-F83 HydrophobicContact CZ-CD2 3.9Å; F61-F83 AromaticContact CZ-CE2 3.81Å; F61-F83 HydrophobicContact CZ-CE2 3.81Å
62A98.6Very high97.9Very high5 Ų571.9 Ų71.94%0.04135%0.345CS..Hα-helixtrans-62.6-39.4176.900000111.9E58 E59 K66 A76 R77E58-A62 WeakPolarHBondContact O-CB 3.11Å; E58-A62 PolarHBondContact O-N 2.92Å; E59-A62 PolarHBondContact O-N 3.11Å; A62-K66 WeakPolarHBondContact O-CD 3.26Å; A62-K66 VanDerWaalsContact O-CG 3.26Å; A62-K66 WeakPolarHBondContact O-CG 3.11Å; A62-K66 PolarHBondContact O-N 2.79Å; A62-A76 HydrophobicContact CB-CB 3.99Å; A62-R77 HydrophobicContact CB-CG 4.34Å
63D98.5Very high97.9Very high64 Ų6472 Ų7234%0.34235%0.349SS..Hα-helixtrans-68.8-44.3175.5-77.8-23.5000112.5E59 F61 L65 K66 E67E59-D63 PolarHBondContact O-N 3.43Å; F61-D63 VanDerWaalsContact C-N 3.31Å; F61-D63 PolarHBondContact O-N 2.83Å; D63-L65 VanDerWaalsContact C-N 3.31Å; D63-L65 PolarHBondContact O-N 3.23Å; D63-K66 WeakPolarHBondContact O-CB 3.46Å; D63-K66 PolarHBondContact O-N 3.03Å; D63-K66 IonicContact OD1-NZ 2.83Å; D63-K66 PolarHBondContact OD1-NZ 3.28Å; D63-E67 WeakPolarHBondContact O-CG 3.44Å; D63-E67 PolarHBondContact O-N 3.44Å
64W98.6Very high97.8Very high46 Ų4675.3 Ų75.317%0.17435%0.352CS..Hα-helixtrans-56.6-45.8172.5170.780.6000111.5F41 L47 Q50 L54 K60 F61 K66 E67 F68F41-W64 HydrophobicContact CD1-CH2 4.48Å; F41-W64 AromaticContact CE1-CH2 3.97Å; F41-W64 HydrophobicContact CE1-CH2 3.97Å; F41-W64 HydrophobicContact CE1-CZ2 4.38Å; F41-W64 HydrophobicContact CE2-CH2 4.44Å; F41-W64 HydrophobicContact CE2-CZ2 4.39Å; F41-W64 AromaticContact CZ-CH2 3.93Å; F41-W64 HydrophobicContact CZ-CH2 3.93Å; F41-W64 AromaticContact CZ-CZ2 3.92Å; F41-W64 HydrophobicContact CZ-CZ2 3.92Å; L47-W64 HydrophobicContact CD1-CH2 3.83Å; L47-W64 HydrophobicContact CD1-CZ3 3.65Å; Q50-W64 HydrophobicContact CB-CH2 4.22Å; Q50-W64 HydrophobicContact CB-CZ3 4.32Å; Q50-W64 HydrophobicContact CG-CD2 3.82Å; Q50-W64 HydrophobicContact CG-CE3 3.74Å; Q50-W64 HydrophobicContact CG-CH2 3.61Å; Q50-W64 HydrophobicContact CG-CZ2 3.64Å; Q50-W64 HydrophobicContact CG-CZ3 3.63Å; L54-W64 HydrophobicContact CD1-CB 3.85Å; L54-W64 HydrophobicContact CD1-CG 4.13Å; K60-W64 VanDerWaalsContact O-CB 3.31Å; K60-W64 WeakPolarHBondContact O-CB 3.31Å; K60-W64 PolarHBondContact O-N 3.24Å; F61-W64 AromaticContact CD2-CE3 3.99Å; F61-W64 HydrophobicContact CD2-CE3 3.99Å; F61-W64 HydrophobicContact CD2-CZ3 4.39Å; F61-W64 AromaticContact CE2-CE3 3.85Å; F61-W64 HydrophobicContact CE2-CE3 3.85Å; F61-W64 AromaticContact CE2-CZ3 3.78Å; F61-W64 HydrophobicContact CE2-CZ3 3.78Å; F61-W64 HydrophobicContact CZ-CZ3 4.38Å; F61-W64 PolarHBondContact O-N 2.57Å; W64-K66 VanDerWaalsContact C-N 3.31Å; W64-K66 PolarHBondContact O-N 3.45Å; W64-E67 PolarHBondContact O-N 3.12Å; W64-F68 HydrophobicContact CD2-CB 4.34Å; W64-F68 AromaticContact CE2-CG 3.92Å; W64-F68 HydrophobicContact CH2-CB 4.49Å; W64-F68 AromaticContact CH2-CD1 3.71Å; W64-F68 HydrophobicContact CH2-CD1 3.71Å; W64-F68 HydrophobicContact CH2-CE1 4.16Å; W64-F68 HydrophobicContact CH2-CG 4.15Å; W64-F68 HydrophobicContact CZ2-CB 3.94Å; W64-F68 AromaticContact CZ2-CD1 3.52Å; W64-F68 HydrophobicContact CZ2-CD1 3.52Å; W64-F68 HydrophobicContact CZ2-CD2 4.03Å; W64-F68 AromaticContact CZ2-CE1 3.98Å; W64-F68 HydrophobicContact CZ2-CE1 3.98Å; W64-F68 HydrophobicContact CZ2-CE2 4.44Å; W64-F68 AromaticContact CZ2-CG 3.54Å; W64-F68 HydrophobicContact CZ2-CG 3.54Å; W64-F68 HydrophobicContact CZ2-CZ 4.4Å; W64-F68 WeakPolarHBondContact O-CB 3.49Å; W64-F68 PolarHBondContact O-N 3.25Å
65L98.3Very high97.7Very high0 Ų076.3 Ų76.30%036%0.355CS..Hα-helixtrans-67.3-32.6-178.1-173.862.6000112.4I28 L36 L47 F61 D63 A69 V71 A76 C79I28-L65 HydrophobicContact CD1-CD2 4Å; L36-L65 HydrophobicContact CD2-CD1 4.08Å; L47-L65 HydrophobicContact CD1-CD1 4.27Å; F61-L65 HydrophobicContact CE1-CD2 4.02Å; F61-L65 HydrophobicContact CZ-CD2 4.26Å; F61-L65 VanDerWaalsContact O-CB 3.28Å; F61-L65 WeakPolarHBondContact O-CB 3.25Å; F61-L65 PolarHBondContact O-N 2.66Å; D63-L65 VanDerWaalsContact C-N 3.31Å; D63-L65 PolarHBondContact O-N 3.23Å; L65-A69 HydrophobicContact CD1-CB 4.23Å; L65-A69 PolarHBondContact O-N 3.47Å; L65-A69 VanDerWaalsContact O-N 3.08Å; L65-V71 HydrophobicContact CD1-CG2 4.05Å; L65-V71 HydrophobicContact CD2-CB 4.39Å; L65-V71 HydrophobicContact CD2-CG1 4.41Å; L65-V71 HydrophobicContact CD2-CG2 4.25Å; L65-V71 HydrophobicContact CG-CB 4.01Å; L65-V71 HydrophobicContact CG-CG2 3.75Å; L65-A76 HydrophobicContact CD2-CB 4.25Å; L65-C79 HydrophobicContact CD2-CB 3.97Å
66K98.1Very high97.7Very high71 Ų7165.3 Ų65.331%0.30931%0.314SS..Hα-helixtrans-64.1-48.9171.2-77.8158.359.8-160.50111.2A62 D63 W64 G70 V71 A76A62-K66 WeakPolarHBondContact O-CD 3.26Å; A62-K66 VanDerWaalsContact O-CG 3.26Å; A62-K66 WeakPolarHBondContact O-CG 3.11Å; A62-K66 PolarHBondContact O-N 2.79Å; D63-K66 WeakPolarHBondContact O-CB 3.46Å; D63-K66 PolarHBondContact O-N 3.03Å; D63-K66 IonicContact OD1-NZ 2.83Å; D63-K66 PolarHBondContact OD1-NZ 3.28Å; W64-K66 VanDerWaalsContact C-N 3.31Å; W64-K66 PolarHBondContact O-N 3.45Å; K66-G70 WeakPolarHBondContact O-CA 2.99Å; K66-G70 PolarHBondContact O-N 3.02Å; K66-V71 WeakPolarHBondContact CA-O 3.41Å; K66-V71 WeakPolarHBondContact CG-O 3.26Å; K66-A76 HydrophobicContact CD-CB 4.49Å; K66-A76 HydrophobicContact CG-CB 4.07Å
67E97.7Very high97.7Very high171 Ų17168.8 Ų68.880%0.79932%0.324SS*.Hα-helixtrans-69.6-41.6-177.9-69.9179.7177.700112.1D63 W64D63-E67 WeakPolarHBondContact O-CG 3.44Å; D63-E67 PolarHBondContact O-N 3.44Å; W64-E67 PolarHBondContact O-N 3.12Å
68F96.7Very high97.7Very high76 Ų7668 Ų6833%0.33333%0.325SS..Hα-helixtrans-75.6-49.6-174.7-175.7-104000113.1L36 E39 F41 W64L36-F68 HydrophobicContact CD2-CD1 4.25Å; L36-F68 HydrophobicContact CD2-CE1 4.25Å; E39-F68 HydrophobicContact CB-CE1 3.85Å; E39-F68 HydrophobicContact CB-CZ 3.55Å; E39-F68 HydrophobicContact CG-CE1 4.11Å; E39-F68 HydrophobicContact CG-CZ 3.83Å; F41-F68 AromaticContact CD2-CE1 3.54Å; F41-F68 HydrophobicContact CD2-CE1 3.54Å; F41-F68 AromaticContact CD2-CZ 3.81Å; F41-F68 HydrophobicContact CD2-CZ 3.81Å; F41-F68 AromaticContact CE2-CE1 3.45Å; F41-F68 HydrophobicContact CE2-CE1 3.45Å; F41-F68 VanDerWaalsContact CE2-CE1 3.45Å; F41-F68 HydrophobicContact CE2-CE2 4.39Å; F41-F68 AromaticContact CE2-CZ 3.37Å; F41-F68 HydrophobicContact CE2-CZ 3.37Å; F41-F68 HydrophobicContact CG-CE1 4.5Å; F41-F68 HydrophobicContact CZ-CE1 4.34Å; F41-F68 HydrophobicContact CZ-CZ 4.35Å; W64-F68 HydrophobicContact CD2-CB 4.34Å; W64-F68 AromaticContact CE2-CG 3.92Å; W64-F68 HydrophobicContact CH2-CB 4.49Å; W64-F68 AromaticContact CH2-CD1 3.71Å; W64-F68 HydrophobicContact CH2-CD1 3.71Å; W64-F68 HydrophobicContact CH2-CE1 4.16Å; W64-F68 HydrophobicContact CH2-CG 4.15Å; W64-F68 HydrophobicContact CZ2-CB 3.94Å; W64-F68 AromaticContact CZ2-CD1 3.52Å; W64-F68 HydrophobicContact CZ2-CD1 3.52Å; W64-F68 HydrophobicContact CZ2-CD2 4.03Å; W64-F68 AromaticContact CZ2-CE1 3.98Å; W64-F68 HydrophobicContact CZ2-CE1 3.98Å; W64-F68 HydrophobicContact CZ2-CE2 4.44Å; W64-F68 AromaticContact CZ2-CG 3.54Å; W64-F68 HydrophobicContact CZ2-CG 3.54Å; W64-F68 HydrophobicContact CZ2-CZ 4.4Å; W64-F68 WeakPolarHBondContact O-CB 3.49Å; W64-F68 PolarHBondContact O-N 3.25Å
69A95.8Very high97.7Very high7 Ų764.1 Ų64.16%0.05831%0.307CS..Hα-helixtrans-113.1-0.7-172.800000113.9K35 L36 L65 V71K35-A69 WeakPolarHBondContact CD-O 3.3Å; L36-A69 HydrophobicContact CD2-CB 3.78Å; L36-A69 HydrophobicContact CG-CB 4.12Å; L65-A69 HydrophobicContact CD1-CB 4.23Å; L65-A69 PolarHBondContact O-N 3.47Å; L65-A69 VanDerWaalsContact O-N 3.08Å; A69-V71 HydrophobicContact CB-CG2 3.92Å; A69-V71 PolarHBondContact O-N 3.37Å
70G96.5Very high97.7Very high45 Ų4557.6 Ų57.646%0.46428%0.277SS..  trans67.524.4-177.700000113.2K66K66-G70 WeakPolarHBondContact O-CA 2.99Å; K66-G70 PolarHBondContact O-N 3.02Å
71V97.3Very high97.7Very high2 Ų254 Ų541%0.01227%0.267CS..  trans-70.6130.4178.4-176.50000108.6Y32 L65 K66 A69 H75 A76Y32-V71 HydrophobicContact CD1-CB 4.44Å; Y32-V71 HydrophobicContact CD1-CG2 3.89Å; Y32-V71 HydrophobicContact CD2-CG1 4.12Å; Y32-V71 HydrophobicContact CD2-CG2 4.34Å; Y32-V71 HydrophobicContact CE1-CB 4.46Å; Y32-V71 HydrophobicContact CE1-CG2 4.39Å; Y32-V71 HydrophobicContact CE2-CG1 4.05Å; Y32-V71 HydrophobicContact CG-CG1 4.46Å; Y32-V71 HydrophobicContact CG-CG2 3.87Å; L65-V71 HydrophobicContact CD1-CG2 4.05Å; L65-V71 HydrophobicContact CD2-CB 4.39Å; L65-V71 HydrophobicContact CD2-CG1 4.41Å; L65-V71 HydrophobicContact CD2-CG2 4.25Å; L65-V71 HydrophobicContact CG-CB 4.01Å; L65-V71 HydrophobicContact CG-CG2 3.75Å; K66-V71 WeakPolarHBondContact CA-O 3.41Å; K66-V71 WeakPolarHBondContact CG-O 3.26Å; A69-V71 HydrophobicContact CB-CG2 3.92Å; A69-V71 PolarHBondContact O-N 3.37Å; V71-H75 HydrophobicContact CG1-CB 3.48Å; V71-H75 VanDerWaalsContact CG1-CB 3.48Å; V71-A76 HydrophobicContact CB-CB 4.45Å; V71-A76 HydrophobicContact CG1-CB 4.09Å
72N96.5Very high97.6Very high71 Ų7154 Ų5438%0.3827%0.267SS..  trans-68159.8178.973.755.8000112.5Y32 R74 H75 A76Y32-N72 PolarHBondContact OH-ND2 3.39Å; N72-R74 VanDerWaalsContact C-N 3.3Å; N72-R74 PolarHBondContact O-N 3.2Å; N72-R74 VanDerWaalsContact O-N 3.15Å; N72-R74 PolarHBondContact OD1-N 2.99Å; N72-R74 VanDerWaalsContact OD1-N 3.16Å; N72-H75 PolarHBondContact ND2-CD2 3.29Å; N72-H75 PolarHBondContact O-N 3.4Å; N72-H75 PolarHBondContact OD1-CD2 2.88Å; N72-H75 PolarHBondContact OD1-N 3.4Å; N72-H75 VanDerWaalsContact OD1-N 3.11Å; N72-A76 WeakPolarHBondContact O-CB 3.41Å; N72-A76 PolarHBondContact O-N 3.06Å
73T96.6Very high97.6Very high62 Ų6253.8 Ų53.838%0.3827%0.265SS..Hα-helixtrans-53.2-40.2-174-520000114.4R77T73-R77 WeakPolarHBondContact O-CB 3.23Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 3.15Å
74R96.6Very high97.6Very high205 Ų20551.9 Ų51.977%0.77426%0.258SS*.Hα-helixtrans-65.8-45.5-179.6178.8-176.4174.8-168.9-0.9110.9N72 A78N72-R74 VanDerWaalsContact C-N 3.3Å; N72-R74 PolarHBondContact O-N 3.2Å; N72-R74 VanDerWaalsContact O-N 3.15Å; N72-R74 PolarHBondContact OD1-N 2.99Å; N72-R74 VanDerWaalsContact OD1-N 3.16Å; R74-A78 WeakPolarHBondContact O-CB 3.45Å; R74-A78 PolarHBondContact O-N 3.3Å; R74-A78 VanDerWaalsContact O-N 3.09Å
75H97.7Very high97.6Very high65 Ų6552.9 Ų52.930%0.30127%0.265SS..Hα-helixtrans-71-39.3-179-79.2-97.4000111.8G27 Y32 V71 N72 A78 C79G27-H75 WeakPolarHBondContact CA-O 3.43Å; G27-H75 VanDerWaalsContact O-CB 3.31Å; G27-H75 WeakPolarHBondContact O-CB 3.49Å; G27-H75 PolarHBondContact O-ND1 3.46Å; Y32-H75 HydrophobicContact CE2-CB 4.08Å; Y32-H75 AromaticContact CE2-CG 3.95Å; V71-H75 HydrophobicContact CG1-CB 3.48Å; V71-H75 VanDerWaalsContact CG1-CB 3.48Å; N72-H75 PolarHBondContact ND2-CD2 3.29Å; N72-H75 PolarHBondContact O-N 3.4Å; N72-H75 PolarHBondContact OD1-CD2 2.88Å; N72-H75 PolarHBondContact OD1-N 3.4Å; N72-H75 VanDerWaalsContact OD1-N 3.11Å; H75-A78 PolarHBondContact O-N 3.25Å; H75-C79 PolarHBondContact O-N 2.99Å
76A98.4Very high97.5Very high0 Ų054.1 Ų54.10%027%0.27CS..Hα-helixtrans-63.3-44.8177.100000111.8A62 L65 K66 V71 N72 A78 C79 A80A62-A76 HydrophobicContact CB-CB 3.99Å; L65-A76 HydrophobicContact CD2-CB 4.25Å; K66-A76 HydrophobicContact CD-CB 4.49Å; K66-A76 HydrophobicContact CG-CB 4.07Å; V71-A76 HydrophobicContact CB-CB 4.45Å; V71-A76 HydrophobicContact CG1-CB 4.09Å; N72-A76 WeakPolarHBondContact O-CB 3.41Å; N72-A76 PolarHBondContact O-N 3.06Å; A76-A78 PolarHBondContact O-N 3.23Å; A76-C79 WeakPolarHBondContact O-CB 3.48Å; A76-C79 PolarHBondContact O-N 3.23Å; A76-A80 PolarHBondContact O-N 3.38Å
77R97.9Very high97.5Very high159 Ų15950.9 Ų50.960%0.626%0.256SS*.Hα-helixtrans-62.7-41.2173.9-73.2178177.4178.4-1.9112.6A62 T73 C79 A80 S81A62-R77 HydrophobicContact CB-CG 4.34Å; T73-R77 WeakPolarHBondContact O-CB 3.23Å; T73-R77 WeakPolarHBondContact O-CG 3.43Å; T73-R77 PolarHBondContact O-N 3.15Å; R77-C79 VanDerWaalsContact C-N 3.29Å; R77-C79 PolarHBondContact O-N 3.05Å; R77-A80 PolarHBondContact O-N 3.29Å; R77-S81 PolarHBondContact O-N 2.98Å; R77-S81 PolarHBondContact O-OG 2.91Å
78A97.8Very high97.4Very high36 Ų3649.7 Ų49.730%0.29826%0.255SS..Hα-helixtrans-61.5-38.517600000112.4R74 H75 A76 C82R74-A78 WeakPolarHBondContact O-CB 3.45Å; R74-A78 PolarHBondContact O-N 3.3Å; R74-A78 VanDerWaalsContact O-N 3.09Å; H75-A78 PolarHBondContact O-N 3.25Å; A76-A78 PolarHBondContact O-N 3.23Å; A78-C82 VanDerWaalsContact O-CB 3.25Å; A78-C82 WeakPolarHBondContact O-CB 3.36Å; A78-C82 PolarHBondContact O-N 3.37Å; A78-C82 VanDerWaalsContact O-N 3.12Å
79C98.4Very high97.3Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-65.6-47.1173.7-173.90000111.7V25 A26 I28 F61 L65 H75 A76 R77 C82 F83V25-C79 VanDerWaalsContact CG1-SG 3.59Å; A26-C79 WeakPolarHBondContact O-CA 3.32Å; A26-C79 WeakPolarHBondContact O-CB 3.43Å; A26-C79 PolarHBondContact O-N 3.15Å; I28-C79 HydrophobicContact CD1-CB 4.06Å; I28-C79 HydrophobicContact CG1-CB 4.37Å; F61-C79 HydrophobicContact CE1-CB 4.36Å; L65-C79 HydrophobicContact CD2-CB 3.97Å; H75-C79 PolarHBondContact O-N 2.99Å; A76-C79 WeakPolarHBondContact O-CB 3.48Å; A76-C79 PolarHBondContact O-N 3.23Å; R77-C79 VanDerWaalsContact C-N 3.29Å; R77-C79 PolarHBondContact O-N 3.05Å; C79-C82 PolarHBondContact O-N 3.26Å; C79-F83 PolarHBondContact O-N 3.49Å; C79-F83 VanDerWaalsContact SG-CE2 3.56Å
80A98.5Very high97.2Very high1 Ų154.2 Ų54.21%0.00828%0.276CS..Hα-helixtrans-57.6-51.2178.700000111.8E58 F61 A76 R77 C82 F83 A84E58-A80 HydrophobicContact CB-CB 3.98Å; E58-A80 HydrophobicContact CG-CB 4.14Å; F61-A80 HydrophobicContact CD1-CB 3.81Å; F61-A80 HydrophobicContact CE1-CB 4.46Å; A76-A80 PolarHBondContact O-N 3.38Å; R77-A80 PolarHBondContact O-N 3.29Å; A80-C82 VanDerWaalsContact C-N 3.3Å; A80-C82 PolarHBondContact O-N 2.93Å; A80-F83 PolarHBondContact O-N 3.06Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.31Å
81S98Very high96.9Very high49 Ų4959 Ų5934%0.34329%0.287SS..Hα-helixtrans-67-31.7-179.3-55.40000112.6E58 R77 A84 E85E58-S81 VanDerWaalsContact OE2-CA 3.23Å; E58-S81 WeakPolarHBondContact OE2-CA 3.28Å; E58-S81 WeakPolarHBondContact OE2-CB 3.25Å; E58-S81 PolarHBondContact OE2-N 3.12Å; E58-S81 PolarHBondContact OE2-OG 2.72Å; R77-S81 PolarHBondContact O-N 2.98Å; R77-S81 PolarHBondContact O-OG 2.91Å; S81-A84 PolarHBondContact O-N 2.89Å; S81-E85 WeakPolarHBondContact O-CB 3.46Å; S81-E85 PolarHBondContact O-N 3.14Å
82C97.9Very high96.9Very high0 Ų061.9 Ų61.90%030%0.301CS..Hα-helixtrans-64.5-44.6173.7-174.40000111.8H9 F12 A26 A78 C79 A80 W86H9-C82 VanDerWaalsContact CE1-CA 3.41Å; H9-C82 WeakPolarHBondContact CE1-CA 3.5Å; F12-C82 VanDerWaalsContact CD1-SG 3.53Å; A26-C82 HydrophobicContact CB-CB 3.84Å; A78-C82 VanDerWaalsContact O-CB 3.25Å; A78-C82 WeakPolarHBondContact O-CB 3.36Å; A78-C82 PolarHBondContact O-N 3.37Å; A78-C82 VanDerWaalsContact O-N 3.12Å; C79-C82 PolarHBondContact O-N 3.26Å; A80-C82 VanDerWaalsContact C-N 3.3Å; A80-C82 PolarHBondContact O-N 2.93Å; C82-W86 WeakPolarHBondContact O-CB 3.49Å; C82-W86 PolarHBondContact O-N 3.28Å
83F98.4Very high96.9Very high0 Ų061.4 Ų61.40%030%0.297CS..Hα-helixtrans-69.4-37.3174.3-72.5-34.2000113.5F12 M17 V25 L47 F48 F51 F61 C79 A80 W86 A87F12-F83 HydrophobicContact CE1-CD1 4.07Å; F12-F83 HydrophobicContact CE1-CE1 4.02Å; F12-F83 HydrophobicContact CZ-CD1 4.39Å; F12-F83 AromaticContact CZ-CE1 3.87Å; F12-F83 HydrophobicContact CZ-CE1 3.87Å; M17-F83 HydrophobicContact CE-CD1 4.49Å; V25-F83 HydrophobicContact CB-CZ 4.38Å; V25-F83 HydrophobicContact CG1-CD1 4.34Å; V25-F83 HydrophobicContact CG1-CE1 3.77Å; V25-F83 HydrophobicContact CG1-CE2 4.22Å; V25-F83 HydrophobicContact CG1-CZ 3.71Å; V25-F83 HydrophobicContact CG2-CE1 3.86Å; V25-F83 HydrophobicContact CG2-CZ 3.76Å; L47-F83 HydrophobicContact CB-CE2 4.25Å; L47-F83 HydrophobicContact CB-CZ 4.09Å; L47-F83 HydrophobicContact CD2-CE2 3.82Å; L47-F83 HydrophobicContact CD2-CZ 3.98Å; L47-F83 HydrophobicContact CG-CE2 3.77Å; L47-F83 HydrophobicContact CG-CZ 4.06Å; F48-F83 HydrophobicContact CB-CD1 4.28Å; F48-F83 HydrophobicContact CB-CE1 4.02Å; F48-F83 HydrophobicContact CB-CZ 4.21Å; F48-F83 HydrophobicContact CD2-CB 3.85Å; F48-F83 AromaticContact CD2-CD1 3.66Å; F48-F83 HydrophobicContact CD2-CD1 3.66Å; F48-F83 HydrophobicContact CD2-CD2 4.42Å; F48-F83 HydrophobicContact CD2-CE1 4.26Å; F48-F83 AromaticContact CD2-CG 3.75Å; F48-F83 HydrophobicContact CD2-CG 3.75Å; F48-F83 HydrophobicContact CE2-CB 4.08Å; F48-F83 HydrophobicContact CE2-CD1 4.45Å; F48-F83 HydrophobicContact CE2-CG 4.45Å; F48-F83 HydrophobicContact CG-CD1 4.39Å; F51-F83 HydrophobicContact CB-CD2 4.18Å; F51-F83 HydrophobicContact CD1-CB 3.74Å; F51-F83 HydrophobicContact CE1-CB 3.9Å; F51-F83 HydrophobicContact CG-CB 4.06Å; F51-F83 HydrophobicContact CG-CD2 4.4Å; F51-F83 HydrophobicContact CZ-CB 4.37Å; F61-F83 HydrophobicContact CE1-CD2 4.02Å; F61-F83 HydrophobicContact CE1-CE2 4.27Å; F61-F83 AromaticContact CZ-CD2 3.9Å; F61-F83 HydrophobicContact CZ-CD2 3.9Å; F61-F83 AromaticContact CZ-CE2 3.81Å; F61-F83 HydrophobicContact CZ-CE2 3.81Å; C79-F83 PolarHBondContact O-N 3.49Å; C79-F83 VanDerWaalsContact SG-CE2 3.56Å; A80-F83 PolarHBondContact O-N 3.06Å; F83-W86 PolarHBondContact O-N 3.03Å; F83-A87 WeakPolarHBondContact O-CB 3.35Å; F83-A87 PolarHBondContact O-N 3.15Å
84A98.1Very high97Very high23 Ų2361.3 Ų61.319%0.1929%0.292CS..Hα-helixtrans-60.9-45.6175.700000111.2F51 E58 A80 S81 A87 L88F51-A84 HydrophobicContact CZ-CB 4Å; E58-A84 HydrophobicContact CG-CB 3.92Å; A80-A84 WeakPolarHBondContact O-CB 3.4Å; A80-A84 PolarHBondContact O-N 3.31Å; S81-A84 PolarHBondContact O-N 2.89Å; A84-A87 PolarHBondContact O-N 3.42Å; A84-L88 PolarHBondContact O-N 3.08Å
85E97.7Very high97Very high67 Ų6752.9 Ų52.931%0.31326%0.264SS..Hα-helixtrans-67.1-43.9176.9-175.8174.4167.100112H9 V13 S81 A87 L88 Q89H9-E85 IonicContact CD2-OE2 3.62Å; H9-E85 IonicContact CE1-OE2 3.62Å; H9-E85 IonicContact NE2-OE2 2.7Å; H9-E85 PolarHBondContact NE2-OE2 3.1Å; V13-E85 HydrophobicContact CB-CG 4.37Å; V13-E85 HydrophobicContact CG1-CB 4.08Å; V13-E85 HydrophobicContact CG1-CG 4.04Å; S81-E85 WeakPolarHBondContact O-CB 3.46Å; S81-E85 PolarHBondContact O-N 3.14Å; E85-A87 VanDerWaalsContact C-N 3.29Å; E85-A87 PolarHBondContact O-N 3.09Å; E85-L88 WeakPolarHBondContact O-CB 3.45Å; E85-L88 PolarHBondContact O-N 3.06Å; E85-L88 VanDerWaalsContact O-N 3.14Å; E85-Q89 WeakPolarHBondContact O-CG 3.35Å; E85-Q89 PolarHBondContact O-N 3.11Å; E85-Q89 VanDerWaalsContact O-N 3.15Å; E85-Q89 PolarHBondContact OE1-NE2 3.09Å; E85-Q89 VanDerWaalsContact OE1-NE2 3.15Å
86W97.5Very high96.9Very high26 Ų2652.1 Ų52.110%0.09826%0.262CS..Hα-helixtrans-58.3-44.4174.8-168.7101000111F12 V13 E15 M17 F48 C82 F83 L88 Q89 H90 M91F12-W86 AromaticContact CD1-CD1 3.94Å; F12-W86 HydrophobicContact CD1-CG 4.49Å; F12-W86 HydrophobicContact CE1-CB 4.35Å; F12-W86 AromaticContact CE1-CD1 3.79Å; F12-W86 HydrophobicContact CE1-CG 4.13Å; V13-W86 HydrophobicContact CG1-CB 4.34Å; E15-W86 PolarHBondContact O-NE1 3.24Å; M17-W86 HydrophobicContact CB-CZ2 4.29Å; M17-W86 HydrophobicContact CE-CD2 3.36Å; M17-W86 HydrophobicContact CE-CE3 3.31Å; M17-W86 HydrophobicContact CE-CG 3.97Å; M17-W86 HydrophobicContact CE-CH2 3.93Å; M17-W86 HydrophobicContact CE-CZ2 3.97Å; M17-W86 HydrophobicContact CE-CZ3 3.61Å; M17-W86 HydrophobicContact CG-CH2 4.23Å; M17-W86 HydrophobicContact CG-CZ2 3.9Å; F48-W86 HydrophobicContact CE1-CE3 4.09Å; F48-W86 AromaticContact CE1-CZ3 3.82Å; F48-W86 HydrophobicContact CE1-CZ3 3.82Å; F48-W86 HydrophobicContact CE2-CE3 4.26Å; F48-W86 AromaticContact CZ-CE3 3.76Å; F48-W86 HydrophobicContact CZ-CE3 3.76Å; F48-W86 AromaticContact CZ-CZ3 3.9Å; F48-W86 HydrophobicContact CZ-CZ3 3.9Å; C82-W86 WeakPolarHBondContact O-CB 3.49Å; C82-W86 PolarHBondContact O-N 3.28Å; F83-W86 PolarHBondContact O-N 3.03Å; W86-L88 VanDerWaalsContact C-N 3.26Å; W86-L88 PolarHBondContact O-N 3.18Å; W86-Q89 PolarHBondContact O-N 3.23Å; W86-Q89 VanDerWaalsContact O-N 3.14Å; W86-H90 AromaticContact CD1-CD2 3.76Å; W86-H90 HydrophobicContact CD2-CB 4.06Å; W86-H90 AromaticContact CD2-CD2 3.82Å; W86-H90 AromaticContact CE2-CD2 3.63Å; W86-H90 AromaticContact CE2-CG 3.89Å; W86-H90 HydrophobicContact CE3-CB 4.03Å; W86-H90 AromaticContact CG-CD2 3.88Å; W86-H90 HydrophobicContact CH2-CB 3.65Å; W86-H90 HydrophobicContact CZ2-CB 3.67Å; W86-H90 HydrophobicContact CZ3-CB 3.83Å; W86-H90 AromaticContact NE1-CD2 3.55Å; W86-H90 PolarHBondContact O-CD2 3.5Å; W86-H90 PolarHBondContact O-N 2.7Å; W86-M91 HydrophobicContact CZ3-CG 4.12Å
87A97Very high96.8Very high4 Ų455.6 Ų55.63%0.03328%0.279CS..Hα-helixtrans-66.6-25.1178.700000113.6F48 F51 K56 F83 A84 E85 M91F48-A87 HydrophobicContact CE2-CB 3.97Å; F48-A87 HydrophobicContact CZ-CB 3.84Å; F51-A87 HydrophobicContact CE1-CB 4.49Å; K56-A87 HydrophobicContact CD-CB 4.2Å; F83-A87 WeakPolarHBondContact O-CB 3.35Å; F83-A87 PolarHBondContact O-N 3.15Å; A84-A87 PolarHBondContact O-N 3.42Å; E85-A87 VanDerWaalsContact C-N 3.29Å; E85-A87 PolarHBondContact O-N 3.09Å; A87-M91 HydrophobicContact CB-SD 4.17Å; A87-M91 WeakPolarHBondContact O-CB 3.48Å
88L96.1Very high96.8Very high146 Ų14648.2 Ų48.276%0.76426%0.256SS*.Hα-helixtrans-74.7-33.6173.8-169.893.5000111.4A84 E85 W86A84-L88 PolarHBondContact O-N 3.08Å; E85-L88 WeakPolarHBondContact O-CB 3.45Å; E85-L88 PolarHBondContact O-N 3.06Å; E85-L88 VanDerWaalsContact O-N 3.14Å; W86-L88 VanDerWaalsContact C-N 3.26Å; W86-L88 PolarHBondContact O-N 3.18Å
89Q94.8Very high96.7Very high94 Ų9449.2 Ų49.244%0.43925%0.253SS..Hα-helixtrans-89.1-31.4-174.6-67.6-176.924.100113.5V13 E85 W86V13-Q89 PolarHBondContact O-OE1 3.16Å; E85-Q89 WeakPolarHBondContact O-CG 3.35Å; E85-Q89 PolarHBondContact O-N 3.11Å; E85-Q89 VanDerWaalsContact O-N 3.15Å; E85-Q89 PolarHBondContact OE1-NE2 3.09Å; E85-Q89 VanDerWaalsContact OE1-NE2 3.15Å; W86-Q89 PolarHBondContact O-N 3.23Å; W86-Q89 VanDerWaalsContact O-N 3.14Å
90H94.4Very high96.5Very high84 Ų8453.3 Ų53.339%0.38927%0.274SS..Hα-helixtrans-124.46-166.4-57.4-76.5000115.1V13 W86V13-H90 PolarHBondContact O-NE2 3.24Å; W86-H90 AromaticContact CD1-CD2 3.76Å; W86-H90 HydrophobicContact CD2-CB 4.06Å; W86-H90 AromaticContact CD2-CD2 3.82Å; W86-H90 AromaticContact CE2-CD2 3.63Å; W86-H90 AromaticContact CE2-CG 3.89Å; W86-H90 HydrophobicContact CE3-CB 4.03Å; W86-H90 AromaticContact CG-CD2 3.88Å; W86-H90 HydrophobicContact CH2-CB 3.65Å; W86-H90 HydrophobicContact CZ2-CB 3.67Å; W86-H90 HydrophobicContact CZ3-CB 3.83Å; W86-H90 AromaticContact NE1-CD2 3.55Å; W86-H90 PolarHBondContact O-CD2 3.5Å; W86-H90 PolarHBondContact O-N 2.7Å
91M90.2Very high96.4Very high145 Ų14558 Ų5871%0.71430%0.299SS*.  trans-122.60170.6-60.2-17584.100111.2F48 L52 K56 W86 A87F48-M91 HydrophobicContact CE1-SD 3.91Å; F48-M91 HydrophobicContact CZ-SD 3.67Å; L52-M91 HydrophobicContact CD1-CE 4.06Å; L52-M91 HydrophobicContact CD1-SD 4.5Å; L52-M91 HydrophobicContact CD2-CE 4.12Å; L52-M91 HydrophobicContact CD2-SD 3.81Å; K56-M91 PolarHBondContact NZ-SD 3.22Å; W86-M91 HydrophobicContact CZ3-CG 4.12Å; A87-M91 HydrophobicContact CB-SD 4.17Å; A87-M91 WeakPolarHBondContact O-CB 3.48Å

Retrieved 91 of 91 residues in 230.5 ms (Link to these results)

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