A0A077ZD69_TRITR Loading...

Barrier-to-autointegration factor 1

AlphaFold DB , UniProt , Accession A0A077ZD69, 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
1M34Very low74.5Confident245 Ų245101.2 Ų101.2100%1.20759%0.589SS**  0109.70-64.6-177.9-135.100107.3A3M1-A3 PolarHBondContact O-N 3.28Å
2T38.9Very low76.3Confident142 Ų14293 Ų9387%0.87154%0.541SS*.  trans-74.7101.6172.929.80000107.7T4T2-T4 PolarHBondContact O-N 2.95Å; T2-T4 VanDerWaalsContact O-N 3.15Å
3A56Low77.8Confident79 Ų7986.3 Ų86.365%0.65350%0.502SS*.  trans-62.8115.7174.100000108.2M1 T5M1-A3 PolarHBondContact O-N 3.28Å; A3-T5 PolarHBondContact O-N 3.13Å
4T61.4Low79Confident141 Ų14184.6 Ų84.687%0.86551%0.512SS*.  trans-70.8115.8172.447.90000108.2T2T2-T4 PolarHBondContact O-N 2.95Å; T2-T4 VanDerWaalsContact O-N 3.15Å
5T72.7Confident79.8Confident78 Ų7886.2 Ų86.248%0.47951%0.512SS..  trans-73.8149.2169.949.10000108.9A3A3-T5 PolarHBondContact O-N 3.13Å
6S87.6Confident80.8Confident64 Ų6487.1 Ų87.145%0.44852%0.521SS..  trans-71.4156.2174.167.10000110.3K8 H9 S10S6-K8 PolarHBondContact O-N 3.22Å; S6-H9 WeakPolarHBondContact O-CA 3.35Å; S6-H9 VanDerWaalsContact O-CB 3.32Å; S6-H9 WeakPolarHBondContact O-CB 3.41Å; S6-H9 PolarHBondContact O-N 3.34Å; S6-H9 WeakPolarHBondContact OG-CB 3.32Å; S6-H9 PolarHBondContact OG-N 2.92Å; S6-S10 PolarHBondContact O-N 3.08Å
7I91.1Very high81.6Confident134 Ų13482.6 Ų82.669%0.68749%0.493SS*.Hα-helixtrans-53.1-46.5172-67.6164.4000109.9H9 S10 D11I7-H9 VanDerWaalsContact C-N 3.26Å; I7-H9 PolarHBondContact O-N 3.06Å; I7-S10 WeakPolarHBondContact O-CB 3.38Å; I7-S10 PolarHBondContact O-N 3.01Å; I7-D11 WeakPolarHBondContact CG2-OD2 3.29Å; I7-D11 VanDerWaalsContact O-CG 3.23Å; I7-D11 PolarHBondContact O-N 3.37Å
8K94.5Very high82.4Confident66 Ų6680.9 Ų80.929%0.28750%0.496SS..Hα-helixtrans-56-38.7175.7-173.8179.7-177.9-170.30113.2S6 F12 D23 R24 V25 I28S6-K8 PolarHBondContact O-N 3.22Å; K8-F12 VanDerWaalsContact O-CB 3.23Å; K8-F12 WeakPolarHBondContact O-CB 3.41Å; K8-F12 PolarHBondContact O-N 2.92Å; K8-F12 VanDerWaalsContact O-N 3.07Å; K8-D23 WeakPolarHBondContact CE-O 3.41Å; K8-D23 PolarHBondContact NZ-O 3.46Å; K8-R24 VanDerWaalsContact CE-C 3.4Å; K8-R24 WeakPolarHBondContact CE-O 3.23Å; K8-V25 VanDerWaalsContact CE-O 3.25Å; K8-V25 WeakPolarHBondContact CE-O 3.18Å; K8-V25 PolarHBondContact NZ-O 2.97Å; K8-I28 PolarHBondContact NZ-O 3.35Å
9H94.7Very high83.1Confident13 Ų1384.2 Ų84.26%0.0651%0.505CS..Hα-helixtrans-63.2-54.7173.2-172.5100.9000110.3S6 I7 D11 F12 V13 P26 E85S6-H9 WeakPolarHBondContact O-CA 3.35Å; S6-H9 VanDerWaalsContact O-CB 3.32Å; S6-H9 WeakPolarHBondContact O-CB 3.41Å; S6-H9 PolarHBondContact O-N 3.34Å; S6-H9 WeakPolarHBondContact OG-CB 3.32Å; S6-H9 PolarHBondContact OG-N 2.92Å; I7-H9 VanDerWaalsContact C-N 3.26Å; I7-H9 PolarHBondContact O-N 3.06Å; H9-D11 VanDerWaalsContact C-N 3.32Å; H9-D11 PolarHBondContact O-N 3.01Å; H9-F12 WeakPolarHBondContact O-CB 3.29Å; H9-F12 PolarHBondContact O-N 3.36Å; H9-V13 WeakPolarHBondContact O-CG2 3.45Å; H9-V13 PolarHBondContact O-N 3.05Å; H9-P26 HydrophobicContact CB-CB 4.37Å; H9-P26 HydrophobicContact CB-CG 4.05Å; H9-E85 IonicContact CD2-OE2 3.18Å; H9-E85 IonicContact CE1-OE2 2.76Å; H9-E85 IonicContact NE2-OE2 3.36Å; H9-E85 PolarHBondContact NE2-OE2 3.08Å
10S94.4Very high83.8Confident67 Ų6781.8 Ų81.847%0.46949%0.487SS..Hα-helixtrans-52.8-47.5179.2-167.30000112.8S6 I7 F12 G14S6-S10 PolarHBondContact O-N 3.08Å; I7-S10 WeakPolarHBondContact O-CB 3.38Å; I7-S10 PolarHBondContact O-N 3.01Å; S10-F12 VanDerWaalsContact C-N 3.32Å; S10-F12 PolarHBondContact O-N 3.24Å; S10-G14 PolarHBondContact O-N 3.32Å
11D94.3Very high84.5Confident84 Ų8479.8 Ų79.845%0.44947%0.474SS..Hα-helixtrans-64.9-36.9179.2-60.8-13.1000111.7I7 H9I7-D11 WeakPolarHBondContact CG2-OD2 3.29Å; I7-D11 VanDerWaalsContact O-CG 3.23Å; I7-D11 PolarHBondContact O-N 3.37Å; H9-D11 VanDerWaalsContact C-N 3.32Å; H9-D11 PolarHBondContact O-N 3.01Å
12F96.1Very high87.6Confident3 Ų368.1 Ų68.11%0.01342%0.417CS..Hα-helixtrans-68-49-179.8-175.5-94.9000112K8 H9 S10 M17 K20 R24 V25 P26 A44 A82 F83 W86K8-F12 VanDerWaalsContact O-CB 3.23Å; K8-F12 WeakPolarHBondContact O-CB 3.41Å; K8-F12 PolarHBondContact O-N 2.92Å; K8-F12 VanDerWaalsContact O-N 3.07Å; H9-F12 WeakPolarHBondContact O-CB 3.29Å; H9-F12 PolarHBondContact O-N 3.36Å; S10-F12 VanDerWaalsContact C-N 3.32Å; S10-F12 PolarHBondContact O-N 3.24Å; F12-M17 HydrophobicContact CE1-CE 4.02Å; F12-M17 HydrophobicContact CE2-CE 4.39Å; F12-M17 HydrophobicContact CE2-SD 3.88Å; F12-M17 HydrophobicContact CZ-CE 3.53Å; F12-M17 HydrophobicContact CZ-SD 3.6Å; F12-M17 VanDerWaalsContact CZ-SD 3.6Å; F12-K20 HydrophobicContact CD2-CD 4.31Å; F12-K20 HydrophobicContact CE2-CD 4.45Å; F12-K20 PolarHBondContact O-NZ 3.25Å; F12-R24 WeakPolarHBondContact CD2-O 3.25Å; F12-V25 HydrophobicContact CE2-CB 4.25Å; F12-V25 HydrophobicContact CE2-CG2 3.75Å; F12-V25 HydrophobicContact CZ-CB 4.48Å; F12-V25 HydrophobicContact CZ-CG1 4.32Å; F12-V25 HydrophobicContact CZ-CG2 4Å; F12-P26 HydrophobicContact CB-CG 3.92Å; F12-P26 HydrophobicContact CD1-CG 4.28Å; F12-P26 VanDerWaalsContact CG-CD 3.5Å; F12-P26 HydrophobicContact CG-CG 4.15Å; F12-A44 HydrophobicContact CE2-CB 3.96Å; F12-A44 HydrophobicContact CZ-CB 4.35Å; F12-A82 HydrophobicContact CD1-CB 4.11Å; F12-A82 HydrophobicContact CE1-CB 4.31Å; F12-F83 HydrophobicContact CE1-CD1 4.11Å; F12-F83 HydrophobicContact CE1-CE1 4.12Å; F12-F83 HydrophobicContact CZ-CD1 4.15Å; F12-F83 AromaticContact CZ-CE1 3.69Å; F12-F83 HydrophobicContact CZ-CE1 3.69Å; F12-W86 HydrophobicContact CE1-CB 4.4Å
13V95.7Very high90.4Very high6 Ų663.6 Ų63.64%0.03639%0.387CS..Hα-helixtrans-75.5-32.4-179.8-93.30000113.8H9 E15 E85 W86H9-V13 WeakPolarHBondContact O-CG2 3.45Å; H9-V13 PolarHBondContact O-N 3.05Å; V13-E15 PolarHBondContact O-N 3.06Å; V13-E85 HydrophobicContact CB-CG 4.41Å; V13-E85 HydrophobicContact CG1-CB 3.83Å; V13-E85 HydrophobicContact CG1-CG 3.7Å; V13-W86 HydrophobicContact CG1-CB 3.92Å
14G94.2Very high92.3Very high63 Ų6367.1 Ų67.165%0.64938%0.384SS*.THydrogen-bonded Turntrans-75.7-4.3-17600000115.6S10S10-G14 PolarHBondContact O-N 3.32Å
15E92.2Very high94.1Very high108 Ų10860.4 Ų60.451%0.50534%0.343SS..SBendtrans-131.6151.2-176.8-68.5178.8178.100111.6V13 K20 W86V13-E15 PolarHBondContact O-N 3.06Å; E15-K20 PolarHBondContact O-NZ 3.06Å; E15-K20 VanDerWaalsContact O-NZ 3.13Å; E15-K20 IonicContact OE2-NZ 3.51Å; E15-W86 PolarHBondContact O-NE1 2.92Å; E15-W86 VanDerWaalsContact O-NE1 3.14Å
16P94.3Very high95.3Very high101 Ų10156.9 Ų56.966%0.65632%0.321SS*.  trans-52.1147.3172.1-25.834.6000112.7G18 K20P16-G18 VanDerWaalsContact C-N 3.33Å; P16-G18 PolarHBondContact O-N 3.23Å; P16-K20 WeakPolarHBondContact O-CE 3.36Å; P16-K20 PolarHBondContact O-NZ 3.08Å
17M95.2Very high95.7Very high11 Ų1154.4 Ų54.45%0.05431%0.306CS..  trans-58.4-43.2-175.9-170.761.772.400112.4F12 K20 A44 L48 F83 W86F12-M17 HydrophobicContact CE1-CE 4.02Å; F12-M17 HydrophobicContact CE2-CE 4.39Å; F12-M17 HydrophobicContact CE2-SD 3.88Å; F12-M17 HydrophobicContact CZ-CE 3.53Å; F12-M17 HydrophobicContact CZ-SD 3.6Å; F12-M17 VanDerWaalsContact CZ-SD 3.6Å; M17-K20 WeakPolarHBondContact O-CB 3.47Å; M17-K20 WeakPolarHBondContact O-CD 3.46Å; M17-K20 VanDerWaalsContact O-CG 3.23Å; M17-K20 WeakPolarHBondContact O-CG 3.4Å; M17-K20 PolarHBondContact O-N 3.31Å; M17-A44 HydrophobicContact SD-CB 3.51Å; M17-A44 VanDerWaalsContact SD-CB 3.51Å; M17-L48 HydrophobicContact CE-CB 4.2Å; M17-L48 HydrophobicContact CE-CD2 3.7Å; M17-L48 HydrophobicContact CE-CG 4.39Å; M17-F83 HydrophobicContact CE-CD1 4.17Å; M17-F83 HydrophobicContact CE-CE1 3.95Å; M17-W86 HydrophobicContact CB-CH2 3.96Å; M17-W86 HydrophobicContact CB-CZ2 3.53Å; M17-W86 HydrophobicContact CE-CD2 3.66Å; M17-W86 HydrophobicContact CE-CE3 3.95Å; M17-W86 HydrophobicContact CE-CG 3.94Å; M17-W86 HydrophobicContact CE-CZ3 4.48Å
18G95.2Very high96Very high52 Ų5248 Ų4854%0.53627%0.273SS..THydrogen-bonded Turntrans49.5-142.6179.800000113P16 Y45P16-G18 VanDerWaalsContact C-N 3.33Å; P16-G18 PolarHBondContact O-N 3.23Å; G18-Y45 WeakPolarHBondContact O-CD1 3.5Å
19E97.1Very high96.1Very high143 Ų14346.6 Ų46.667%0.66828%0.277SS*.THydrogen-bonded Turntrans-105.132.5175.1-58.8-161128.100112.7D21 K43E19-D21 PolarHBondContact O-N 3.34Å; E19-K43 PolarHBondContact O-NZ 2.86Å
20K97.3Very high96.2Very high35 Ų3551 Ų5115%0.15230%0.297CS..  trans-50.9132175.1-71.8173.4-170.1169.30109.2F12 E15 P16 M17 R24 K43 A44F12-K20 HydrophobicContact CD2-CD 4.31Å; F12-K20 HydrophobicContact CE2-CD 4.45Å; F12-K20 PolarHBondContact O-NZ 3.25Å; E15-K20 PolarHBondContact O-NZ 3.06Å; E15-K20 VanDerWaalsContact O-NZ 3.13Å; E15-K20 IonicContact OE2-NZ 3.51Å; P16-K20 WeakPolarHBondContact O-CE 3.36Å; P16-K20 PolarHBondContact O-NZ 3.08Å; M17-K20 WeakPolarHBondContact O-CB 3.47Å; M17-K20 WeakPolarHBondContact O-CD 3.46Å; M17-K20 VanDerWaalsContact O-CG 3.23Å; M17-K20 WeakPolarHBondContact O-CG 3.4Å; M17-K20 PolarHBondContact O-N 3.31Å; K20-R24 HydrophobicContact CB-CB 4.17Å; K20-R24 HydrophobicContact CB-CG 4.34Å; K20-K43 WeakPolarHBondContact O-CA 3.35Å; K20-A44 HydrophobicContact CB-CB 4.14Å; K20-A44 PolarHBondContact O-N 2.71Å
21D98.2Very high96.4Very high41 Ų4155.9 Ų55.922%0.21931%0.306CS..BIsolated β-bridgetrans-61.9152.2171.7-173.9-80.8000109.8E19 D23 R24 R37E19-D21 PolarHBondContact O-N 3.34Å; D21-D23 WeakPolarHBondContact CB-OD1 3.49Å; D21-D23 PolarHBondContact O-N 2.84Å; D21-D23 VanDerWaalsContact O-N 3.16Å; D21-D23 WeakPolarHBondContact OD1-CB 3.34Å; D21-D23 PolarHBondContact OD1-N 3.08Å; D21-R24 WeakPolarHBondContact O-CB 3.19Å; D21-R24 PolarHBondContact O-N 3.25Å; D21-R37 IonicContact OD1-CZ 3.54Å; D21-R37 IonicContact OD1-NE 3.38Å; D21-R37 PolarHBondContact OD1-NE 3.32Å; D21-R37 IonicContact OD1-NH2 3.69Å; D21-R37 PolarHBondContact OD1-NH2 2.94Å; D21-R37 IonicContact OD2-CZ 2.75Å; D21-R37 IonicContact OD2-NE 3.75Å; D21-R37 PolarHBondContact OD2-NE 3.26Å; D21-R37 VanDerWaalsContact OD2-NE 3.13Å; D21-R37 IonicContact OD2-NH2 3.61Å
22V98.3Very high96.5Very high0 Ų053.3 Ų53.30%029%0.29CS..G310 helixtrans-55.5-28.3177.562.40000113.2R24 V25 I28 A33 L36 R37 F41 D42 L47V22-R24 PolarHBondContact O-N 2.91Å; V22-V25 WeakPolarHBondContact O-CB 3.48Å; V22-V25 WeakPolarHBondContact O-CG2 3.29Å; V22-V25 PolarHBondContact O-N 2.96Å; V22-V25 VanDerWaalsContact O-N 3.16Å; V22-I28 HydrophobicContact CG2-CD1 3.88Å; V22-I28 HydrophobicContact CG2-CG2 4.17Å; V22-A33 HydrophobicContact CG1-CB 3.86Å; V22-L36 HydrophobicContact CG1-CB 4.41Å; V22-L36 HydrophobicContact CG2-CB 3.98Å; V22-L36 HydrophobicContact CG2-CD1 3.58Å; V22-L36 HydrophobicContact CG2-CG 4.39Å; V22-R37 HydrophobicContact CG1-CG 3.86Å; V22-F41 WeakPolarHBondContact CB-O 3.43Å; V22-F41 WeakPolarHBondContact CG1-O 3.46Å; V22-D42 WeakPolarHBondContact CG1-O 3.4Å; V22-D42 PolarHBondContact N-O 3.4Å; V22-L47 HydrophobicContact CB-CD1 4.31Å; V22-L47 HydrophobicContact CG2-CD1 3.17Å
23D97.4Very high96.7Very high47 Ų4753.1 Ų53.125%0.25129%0.289SS..G310 helixtrans-66-12.6174.883-15.9000113.9K8 D21 V25 A33 R37K8-D23 WeakPolarHBondContact CE-O 3.41Å; K8-D23 PolarHBondContact NZ-O 3.46Å; D21-D23 WeakPolarHBondContact CB-OD1 3.49Å; D21-D23 PolarHBondContact O-N 2.84Å; D21-D23 VanDerWaalsContact O-N 3.16Å; D21-D23 WeakPolarHBondContact OD1-CB 3.34Å; D21-D23 PolarHBondContact OD1-N 3.08Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-A33 HydrophobicContact CB-CB 3.75Å; D23-R37 IonicContact OD2-NH2 3.84Å
24R97.3Very high96.8Very high152 Ų15259 Ų5957%0.57431%0.314SS*.G310 helixtrans-82.5-15.6175.8-62.6-51.9-167.5135.8-0.1112.5K8 F12 K20 D21 V22K8-R24 VanDerWaalsContact CE-C 3.4Å; K8-R24 WeakPolarHBondContact CE-O 3.23Å; F12-R24 WeakPolarHBondContact CD2-O 3.25Å; K20-R24 HydrophobicContact CB-CB 4.17Å; K20-R24 HydrophobicContact CB-CG 4.34Å; D21-R24 WeakPolarHBondContact O-CB 3.19Å; D21-R24 PolarHBondContact O-N 3.25Å; V22-R24 PolarHBondContact O-N 2.91Å
25V97.9Very high97Very high0 Ų058.8 Ų58.80%030%0.298CS..SBendtrans-68.9132.1178.4-172.80000110.1K8 F12 V22 D23 G27 I28 A44 C79 F83K8-V25 VanDerWaalsContact CE-O 3.25Å; K8-V25 WeakPolarHBondContact CE-O 3.18Å; K8-V25 PolarHBondContact NZ-O 2.97Å; F12-V25 HydrophobicContact CE2-CB 4.25Å; F12-V25 HydrophobicContact CE2-CG2 3.75Å; F12-V25 HydrophobicContact CZ-CB 4.48Å; F12-V25 HydrophobicContact CZ-CG1 4.32Å; F12-V25 HydrophobicContact CZ-CG2 4Å; V22-V25 WeakPolarHBondContact O-CB 3.48Å; V22-V25 WeakPolarHBondContact O-CG2 3.29Å; V22-V25 PolarHBondContact O-N 2.96Å; V22-V25 VanDerWaalsContact O-N 3.16Å; D23-V25 VanDerWaalsContact C-N 3.34Å; V25-G27 PolarHBondContact O-N 3.13Å; V25-I28 HydrophobicContact CB-CB 4.32Å; V25-I28 HydrophobicContact CB-CD1 3.71Å; V25-I28 HydrophobicContact CB-CG1 3.93Å; V25-I28 HydrophobicContact CG1-CD1 3.98Å; V25-I28 HydrophobicContact CG1-CG1 4.2Å; V25-I28 HydrophobicContact CG2-CD1 4.27Å; V25-I28 WeakPolarHBondContact O-CB 3.21Å; V25-I28 PolarHBondContact O-N 2.88Å; V25-A44 HydrophobicContact CG2-CB 3.65Å; V25-C79 HydrophobicContact CG1-CB 4.27Å; V25-C79 WeakPolarHBondContact CG1-SG 3.45Å; V25-F83 HydrophobicContact CG1-CE1 4.33Å; V25-F83 HydrophobicContact CG1-CE2 4.11Å; V25-F83 HydrophobicContact CG1-CZ 3.81Å; V25-F83 HydrophobicContact CG2-CE1 4.45Å; V25-F83 HydrophobicContact CG2-CZ 4.01Å
26P97.7Very high97.3Very high4 Ų453.7 Ų53.73%0.02627%0.274CS..THydrogen-bonded Turntrans-54.4139.5173.5-29.739.4000111.8H9 F12 I28 C79 A82H9-P26 HydrophobicContact CB-CB 4.37Å; H9-P26 HydrophobicContact CB-CG 4.05Å; F12-P26 HydrophobicContact CB-CG 3.92Å; F12-P26 HydrophobicContact CD1-CG 4.28Å; F12-P26 VanDerWaalsContact CG-CD 3.5Å; F12-P26 HydrophobicContact CG-CG 4.15Å; P26-I28 PolarHBondContact O-N 3.27Å; P26-C79 VanDerWaalsContact O-CA 3.25Å; P26-C79 WeakPolarHBondContact O-CA 3.14Å; P26-C79 WeakPolarHBondContact O-CB 3.45Å; P26-C79 PolarHBondContact O-N 2.62Å; P26-A82 HydrophobicContact CB-CB 3.86Å; P26-A82 HydrophobicContact CG-CB 3.55Å
27G96.9Very high97.5Very high12 Ų1252.3 Ų52.312%0.12426%0.255CS..THydrogen-bonded Turntrans83.3-18-172.300000115V25 H75V25-G27 PolarHBondContact O-N 3.13Å; G27-H75 WeakPolarHBondContact O-CB 3.4Å; G27-H75 PolarHBondContact O-CD2 3.19Å
28I97.9Very high97.6Very high1 Ų159.5 Ų59.51%0.00529%0.286CS..  trans-100.6100.8-177.4-50-167.4000110.9K8 V22 V25 P26 A33 L36 L47 L71K8-I28 PolarHBondContact NZ-O 3.35Å; V22-I28 HydrophobicContact CG2-CD1 3.88Å; V22-I28 HydrophobicContact CG2-CG2 4.17Å; V25-I28 HydrophobicContact CB-CB 4.32Å; V25-I28 HydrophobicContact CB-CD1 3.71Å; V25-I28 HydrophobicContact CB-CG1 3.93Å; V25-I28 HydrophobicContact CG1-CD1 3.98Å; V25-I28 HydrophobicContact CG1-CG1 4.2Å; V25-I28 HydrophobicContact CG2-CD1 4.27Å; V25-I28 WeakPolarHBondContact O-CB 3.21Å; V25-I28 PolarHBondContact O-N 2.88Å; P26-I28 PolarHBondContact O-N 3.27Å; I28-A33 HydrophobicContact CG2-CB 4.14Å; I28-L36 HydrophobicContact CD1-CD1 3.68Å; I28-L36 HydrophobicContact CG1-CD1 4.47Å; I28-L36 HydrophobicContact CG2-CD1 3.71Å; I28-L47 HydrophobicContact CD1-CD1 3.8Å; I28-L71 HydrophobicContact CG1-CD2 4.35Å
29G96.4Very high97.7Very high36 Ų3662.5 Ų62.537%0.37129%0.286SS..  trans-86.4171.2167.900000112.4R31 Y32 A33G29-R31 PolarHBondContact O-N 2.84Å; G29-Y32 PolarHBondContact O-N 3.02Å; G29-A33 PolarHBondContact O-N 3.34Å
30E97.5Very high97.7Very high104 Ų10457.9 Ų57.949%0.48628%0.277SS..Hα-helixtrans-54.2-33.6-175.8-17654.9-153.900113.8Y32 A33 K34 R37E30-Y32 PolarHBondContact O-N 3.41Å; E30-A33 PolarHBondContact O-N 3.05Å; E30-K34 WeakPolarHBondContact O-CB 3.42Å; E30-K34 PolarHBondContact O-N 3.14Å; E30-R37 VanDerWaalsContact CD-NH1 3.34Å; E30-R37 IonicContact OE1-CZ 2.71Å; E30-R37 IonicContact OE1-NH1 3.86Å; E30-R37 PolarHBondContact OE1-NH1 2.81Å; E30-R37 IonicContact OE2-CZ 3.88Å; E30-R37 IonicContact OE2-NH1 3.43Å; E30-R37 PolarHBondContact OE2-NH1 3.21Å; E30-R37 IonicContact OE2-NH2 3.11Å; E30-R37 PolarHBondContact OE2-NH2 3.13Å; E30-R37 VanDerWaalsContact OE2-NH2 3.08Å
31R97Very high97.8Very high171 Ų17158 Ų5865%0.64528%0.277SS*.Hα-helixtrans-58.1-46.7174.1179.3-179.9176.5-85.7-0.4112.2G29G29-R31 PolarHBondContact O-N 2.84Å
32Y98Very high97.8Very high29 Ų2959 Ų5911%0.11428%0.283CS..Hα-helixtrans-76.2-41.4179-60.8-52.8000110.7G29 E30 K34 I35 L36 G70 L71 H75G29-Y32 PolarHBondContact O-N 3.02Å; E30-Y32 PolarHBondContact O-N 3.41Å; Y32-K34 VanDerWaalsContact C-N 3.25Å; Y32-K34 PolarHBondContact O-N 2.88Å; Y32-I35 WeakPolarHBondContact O-CB 3.47Å; Y32-I35 PolarHBondContact O-N 3.24Å; Y32-L36 WeakPolarHBondContact O-CG 3.41Å; Y32-L36 PolarHBondContact O-N 3.48Å; Y32-G70 WeakPolarHBondContact CE1-O 3.48Å; Y32-L71 HydrophobicContact CD1-CD1 3.85Å; Y32-L71 HydrophobicContact CD1-CG 4.01Å; Y32-L71 HydrophobicContact CD2-CG 4.15Å; Y32-L71 HydrophobicContact CE1-CG 4.33Å; Y32-L71 HydrophobicContact CE2-CG 4.46Å; Y32-L71 HydrophobicContact CG-CD1 3.88Å; Y32-L71 HydrophobicContact CG-CG 3.93Å; Y32-H75 HydrophobicContact CE2-CB 4.13Å; Y32-H75 AromaticContact CE2-CG 3.8Å; Y32-H75 AromaticContact CE2-ND1 3.99Å
33A98.3Very high97.8Very high0 Ų061.4 Ų61.40%029%0.294CS..Hα-helixtrans-54.3-42177.300000111.9V22 D23 I28 G29 E30 I35 L36 R37V22-A33 HydrophobicContact CG1-CB 3.86Å; D23-A33 HydrophobicContact CB-CB 3.75Å; I28-A33 HydrophobicContact CG2-CB 4.14Å; G29-A33 PolarHBondContact O-N 3.34Å; E30-A33 PolarHBondContact O-N 3.05Å; A33-I35 VanDerWaalsContact C-N 3.28Å; A33-I35 PolarHBondContact O-N 3.23Å; A33-L36 PolarHBondContact O-N 3.37Å; A33-R37 WeakPolarHBondContact O-CB 3.34Å; A33-R37 WeakPolarHBondContact O-CG 3.22Å; A33-R37 PolarHBondContact O-N 3.27Å
34K98.3Very high97.9Very high130 Ų13059.2 Ų59.257%0.56528%0.282SS*.Hα-helixtrans-60.6-33.8176.5-172.2174.5-176.7174.50113.7E30 Y32 K38E30-K34 WeakPolarHBondContact O-CB 3.42Å; E30-K34 PolarHBondContact O-N 3.14Å; Y32-K34 VanDerWaalsContact C-N 3.25Å; Y32-K34 PolarHBondContact O-N 2.88Å; K34-K38 WeakPolarHBondContact O-CG 3.39Å
35I98.2Very high97.9Very high58 Ų5856.7 Ų56.730%0.29727%0.273SS..Hα-helixtrans-74.8-49.7176.5-59.8169000108.8Y32 A33 R37 K38 E39Y32-I35 WeakPolarHBondContact O-CB 3.47Å; Y32-I35 PolarHBondContact O-N 3.24Å; A33-I35 VanDerWaalsContact C-N 3.28Å; A33-I35 PolarHBondContact O-N 3.23Å; I35-R37 VanDerWaalsContact C-N 3.35Å; I35-R37 PolarHBondContact O-N 3.34Å; I35-K38 WeakPolarHBondContact O-CA 3.37Å; I35-K38 WeakPolarHBondContact O-CB 3.48Å; I35-K38 PolarHBondContact O-N 3.07Å; I35-E39 PolarHBondContact O-N 3.36Å; I35-E39 VanDerWaalsContact O-N 3.07Å
36L98.4Very high97.9Very high0 Ų059.3 Ų59.30%029%0.287CS..Hα-helixtrans-58.8-43.5-179.4-66.2164.1000112.3V22 I28 Y32 A33 K38 E39 G40 F41 L47 V65 M68 L71V22-L36 HydrophobicContact CG1-CB 4.41Å; V22-L36 HydrophobicContact CG2-CB 3.98Å; V22-L36 HydrophobicContact CG2-CD1 3.58Å; V22-L36 HydrophobicContact CG2-CG 4.39Å; I28-L36 HydrophobicContact CD1-CD1 3.68Å; I28-L36 HydrophobicContact CG1-CD1 4.47Å; I28-L36 HydrophobicContact CG2-CD1 3.71Å; Y32-L36 WeakPolarHBondContact O-CG 3.41Å; Y32-L36 PolarHBondContact O-N 3.48Å; A33-L36 PolarHBondContact O-N 3.37Å; L36-K38 VanDerWaalsContact C-N 3.27Å; L36-K38 PolarHBondContact O-N 3.35Å; L36-E39 CarbonylContact O-C 3.54Å; L36-E39 PolarHBondContact O-N 2.95Å; L36-E39 VanDerWaalsContact O-N 3.13Å; L36-G40 PolarHBondContact O-N 3.42Å; L36-F41 CarbonylContact C-O 3.51Å; L36-F41 HydrophobicContact CB-CB 4.18Å; L36-F41 CarbonylContact O-C 3.52Å; L36-F41 WeakPolarHBondContact O-CA 3.36Å; L36-F41 PolarHBondContact O-N 3.38Å; L36-L47 HydrophobicContact CD1-CD1 4.18Å; L36-V65 HydrophobicContact CD2-CG2 4.36Å; L36-M68 HydrophobicContact CD2-CE 3.39Å; L36-M68 HydrophobicContact CD2-SD 3.73Å; L36-L71 HydrophobicContact CD1-CD1 4.41Å
37R98.3Very high97.9Very high73 Ų7359.1 Ų59.128%0.27529%0.285SS..Hα-helixtrans-57.7-38173.5-71.3173.8-164.5135.32.1112.2D21 V22 D23 E30 A33 I35 G40 D42D21-R37 IonicContact OD1-CZ 3.54Å; D21-R37 IonicContact OD1-NE 3.38Å; D21-R37 PolarHBondContact OD1-NE 3.32Å; D21-R37 IonicContact OD1-NH2 3.69Å; D21-R37 PolarHBondContact OD1-NH2 2.94Å; D21-R37 IonicContact OD2-CZ 2.75Å; D21-R37 IonicContact OD2-NE 3.75Å; D21-R37 PolarHBondContact OD2-NE 3.26Å; D21-R37 VanDerWaalsContact OD2-NE 3.13Å; D21-R37 IonicContact OD2-NH2 3.61Å; V22-R37 HydrophobicContact CG1-CG 3.86Å; D23-R37 IonicContact OD2-NH2 3.84Å; E30-R37 VanDerWaalsContact CD-NH1 3.34Å; E30-R37 IonicContact OE1-CZ 2.71Å; E30-R37 IonicContact OE1-NH1 3.86Å; E30-R37 PolarHBondContact OE1-NH1 2.81Å; E30-R37 IonicContact OE2-CZ 3.88Å; E30-R37 IonicContact OE2-NH1 3.43Å; E30-R37 PolarHBondContact OE2-NH1 3.21Å; E30-R37 IonicContact OE2-NH2 3.11Å; E30-R37 PolarHBondContact OE2-NH2 3.13Å; E30-R37 VanDerWaalsContact OE2-NH2 3.08Å; A33-R37 WeakPolarHBondContact O-CB 3.34Å; A33-R37 WeakPolarHBondContact O-CG 3.22Å; A33-R37 PolarHBondContact O-N 3.27Å; I35-R37 VanDerWaalsContact C-N 3.35Å; I35-R37 PolarHBondContact O-N 3.34Å; R37-G40 PolarHBondContact O-N 2.97Å; R37-D42 HydrophobicContact CB-CB 4.22Å; R37-D42 HydrophobicContact CG-CB 3.78Å
38K98Very high98Very high162 Ų16259.1 Ų59.170%0.70428%0.283SS*.Hα-helixtrans-69.8-34.6177.2-74.1177174.1-1670112.6K34 I35 L36 G40K34-K38 WeakPolarHBondContact O-CG 3.39Å; I35-K38 WeakPolarHBondContact O-CA 3.37Å; I35-K38 WeakPolarHBondContact O-CB 3.48Å; I35-K38 PolarHBondContact O-N 3.07Å; L36-K38 VanDerWaalsContact C-N 3.27Å; L36-K38 PolarHBondContact O-N 3.35Å; K38-G40 PolarHBondContact O-N 2.83Å
39E97.6Very high98Very high114 Ų11460.5 Ų60.553%0.53330%0.297SS..THydrogen-bonded Turntrans-78.53.5174.8-61.6-56.312900112.8I35 L36 F41 M68I35-E39 PolarHBondContact O-N 3.36Å; I35-E39 VanDerWaalsContact O-N 3.07Å; L36-E39 CarbonylContact O-C 3.54Å; L36-E39 PolarHBondContact O-N 2.95Å; L36-E39 VanDerWaalsContact O-N 3.13Å; E39-F41 HydrophobicContact CB-CD2 4.16Å; E39-M68 HydrophobicContact CB-CG 4.49Å; E39-M68 HydrophobicContact CB-SD 3.65Å; E39-M68 HydrophobicContact CG-CG 4.36Å; E39-M68 HydrophobicContact CG-SD 3.7Å
40G98Very high98.1Very high46 Ų4660.6 Ų60.647%0.47429%0.288SS..THydrogen-bonded Turntrans86.713.2178.600000114.8L36 R37 K38 L46L36-G40 PolarHBondContact O-N 3.42Å; R37-G40 PolarHBondContact O-N 2.97Å; K38-G40 PolarHBondContact O-N 2.83Å; G40-L46 VanDerWaalsContact O-CD1 3.29Å; G40-L46 WeakPolarHBondContact O-CD1 3.32Å
41F98.4Very high98.2Very high37 Ų3755.7 Ų55.716%0.16226%0.264CS..  trans-105.961.2174.9-66.4-87000110.7V22 L36 E39 L46 L47 Q50 W64 M68V22-F41 WeakPolarHBondContact CB-O 3.43Å; V22-F41 WeakPolarHBondContact CG1-O 3.46Å; L36-F41 CarbonylContact C-O 3.51Å; L36-F41 HydrophobicContact CB-CB 4.18Å; L36-F41 CarbonylContact O-C 3.52Å; L36-F41 WeakPolarHBondContact O-CA 3.36Å; L36-F41 PolarHBondContact O-N 3.38Å; E39-F41 HydrophobicContact CB-CD2 4.16Å; F41-L46 HydrophobicContact CD1-CB 3.85Å; F41-L46 HydrophobicContact CE1-CB 4.48Å; F41-L47 HydrophobicContact CB-CD1 4.43Å; F41-L47 HydrophobicContact CB-CG 4.2Å; F41-L47 HydrophobicContact CD1-CD2 4.49Å; F41-L47 HydrophobicContact CD1-CG 4.01Å; F41-L47 HydrophobicContact CG-CG 4.38Å; F41-Q50 HydrophobicContact CE1-CB 4.13Å; F41-W64 HydrophobicContact CD1-CH2 4.32Å; F41-W64 HydrophobicContact CD2-CH2 4.47Å; F41-W64 AromaticContact CE1-CH2 3.83Å; F41-W64 HydrophobicContact CE1-CH2 3.83Å; F41-W64 HydrophobicContact CE1-CZ2 4.2Å; F41-W64 AromaticContact CE2-CH2 3.99Å; F41-W64 HydrophobicContact CE2-CH2 3.99Å; F41-W64 AromaticContact CE2-CZ2 3.86Å; F41-W64 HydrophobicContact CE2-CZ2 3.86Å; F41-W64 AromaticContact CZ-CH2 3.64Å; F41-W64 HydrophobicContact CZ-CH2 3.64Å; F41-W64 AromaticContact CZ-CZ2 3.57Å; F41-W64 HydrophobicContact CZ-CZ2 3.57Å; F41-M68 HydrophobicContact CD2-CE 3.37Å; F41-M68 HydrophobicContact CD2-SD 4.15Å; F41-M68 HydrophobicContact CE2-CE 3.56Å; F41-M68 HydrophobicContact CE2-SD 4.4Å; F41-M68 HydrophobicContact CG-CE 3.97Å; F41-M68 HydrophobicContact CZ-CE 4.29Å
42D98.2Very high98.3Very high63 Ų6350.6 Ų50.634%0.33725%0.25SC..  trans-81-23.9-178.967.8-41.3000113.7V22 R37 L46V22-D42 WeakPolarHBondContact CG1-O 3.4Å; V22-D42 PolarHBondContact N-O 3.4Å; R37-D42 HydrophobicContact CB-CB 4.22Å; R37-D42 HydrophobicContact CG-CB 3.78Å; D42-L46 VanDerWaalsContact OD1-CD1 3.25Å; D42-L46 WeakPolarHBondContact OD1-CD1 3.41Å
43K98.6Very high98.3Very high51 Ų5155 Ų5522%0.22227%0.274CS..BIsolated β-bridgetrans-109.9145.7177.9-57.4-57.9-171.5172.60112.5E19 K20 Y45 L46E19-K43 PolarHBondContact O-NZ 2.86Å; K20-K43 WeakPolarHBondContact O-CA 3.35Å; K43-Y45 HydrophobicContact CB-CD1 3.57Å; K43-Y45 HydrophobicContact CB-CE1 3.32Å; K43-Y45 HydrophobicContact CB-CE2 4.39Å; K43-Y45 HydrophobicContact CB-CG 4.21Å; K43-Y45 HydrophobicContact CG-CD1 4.29Å; K43-Y45 HydrophobicContact CG-CE1 3.57Å; K43-Y45 PolarHBondContact O-N 2.88Å; K43-L46 HydrophobicContact CB-CD1 4.24Å; K43-L46 HydrophobicContact CB-CG 4.36Å; K43-L46 WeakPolarHBondContact O-CB 3.4Å; K43-L46 PolarHBondContact O-N 2.94Å
44A98.4Very high98.3Very high0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-58.4-35178.300000112.7F12 M17 K20 V25 L46 L47 L48F12-A44 HydrophobicContact CE2-CB 3.96Å; F12-A44 HydrophobicContact CZ-CB 4.35Å; M17-A44 HydrophobicContact SD-CB 3.51Å; M17-A44 VanDerWaalsContact SD-CB 3.51Å; K20-A44 HydrophobicContact CB-CB 4.14Å; K20-A44 PolarHBondContact O-N 2.71Å; V25-A44 HydrophobicContact CG2-CB 3.65Å; A44-L46 VanDerWaalsContact C-N 3.27Å; A44-L46 PolarHBondContact O-N 3.32Å; A44-L47 PolarHBondContact O-N 2.84Å; A44-L48 PolarHBondContact O-N 3.15Å
45Y98.1Very high98.3Very high100 Ų10059.6 Ų59.639%0.39230%0.295SS..Hα-helixtrans-66.1-25.9178.169.4-107.3000113.4G18 K43 G49G18-Y45 WeakPolarHBondContact O-CD1 3.5Å; K43-Y45 HydrophobicContact CB-CD1 3.57Å; K43-Y45 HydrophobicContact CB-CE1 3.32Å; K43-Y45 HydrophobicContact CB-CE2 4.39Å; K43-Y45 HydrophobicContact CB-CG 4.21Å; K43-Y45 HydrophobicContact CG-CD1 4.29Å; K43-Y45 HydrophobicContact CG-CE1 3.57Å; K43-Y45 PolarHBondContact O-N 2.88Å; Y45-G49 PolarHBondContact O-N 3.16Å
46L98.5Very high98.3Very high55 Ų5561.3 Ų61.329%0.28830%0.302SS..Hα-helixtrans-71-41.8177.1-66.7169.7000110.5G40 F41 D42 K43 A44 G49 Q50G40-L46 VanDerWaalsContact O-CD1 3.29Å; G40-L46 WeakPolarHBondContact O-CD1 3.32Å; F41-L46 HydrophobicContact CD1-CB 3.85Å; F41-L46 HydrophobicContact CE1-CB 4.48Å; D42-L46 VanDerWaalsContact OD1-CD1 3.25Å; D42-L46 WeakPolarHBondContact OD1-CD1 3.41Å; K43-L46 HydrophobicContact CB-CD1 4.24Å; K43-L46 HydrophobicContact CB-CG 4.36Å; K43-L46 WeakPolarHBondContact O-CB 3.4Å; K43-L46 PolarHBondContact O-N 2.94Å; A44-L46 VanDerWaalsContact C-N 3.27Å; A44-L46 PolarHBondContact O-N 3.32Å; L46-G49 PolarHBondContact O-N 3.43Å; L46-Q50 PolarHBondContact O-N 3.23Å
47L98.1Very high98.3Very high0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-66.2-40.8172.8-91.9155.9000112.2V22 I28 L36 F41 A44 G49 Q50 F51 F61 W64 V65 F83V22-L47 HydrophobicContact CB-CD1 4.31Å; V22-L47 HydrophobicContact CG2-CD1 3.17Å; I28-L47 HydrophobicContact CD1-CD1 3.8Å; L36-L47 HydrophobicContact CD1-CD1 4.18Å; F41-L47 HydrophobicContact CB-CD1 4.43Å; F41-L47 HydrophobicContact CB-CG 4.2Å; F41-L47 HydrophobicContact CD1-CD2 4.49Å; F41-L47 HydrophobicContact CD1-CG 4.01Å; F41-L47 HydrophobicContact CG-CG 4.38Å; A44-L47 PolarHBondContact O-N 2.84Å; L47-G49 VanDerWaalsContact C-N 3.28Å; L47-G49 PolarHBondContact O-N 3Å; L47-Q50 PolarHBondContact O-N 3.44Å; L47-F51 PolarHBondContact O-N 2.91Å; L47-F61 HydrophobicContact CD2-CE2 4.06Å; L47-F61 HydrophobicContact CD2-CZ 3.92Å; L47-W64 HydrophobicContact CD2-CH2 3.98Å; L47-W64 HydrophobicContact CD2-CZ3 3.64Å; L47-V65 HydrophobicContact CD2-CG2 4.1Å; L47-F83 HydrophobicContact CB-CE2 3.87Å; L47-F83 HydrophobicContact CB-CZ 3.63Å
48L98.4Very high98.3Very high12 Ų1263.9 Ų63.96%0.06332%0.322CS..Hα-helixtrans-58.3-44.3171.3176.364.1000110.5M17 A44 Q50 F51 L52 F83 W86 V87M17-L48 HydrophobicContact CE-CB 4.2Å; M17-L48 HydrophobicContact CE-CD2 3.7Å; M17-L48 HydrophobicContact CE-CG 4.39Å; A44-L48 PolarHBondContact O-N 3.15Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.66Å; L48-F51 HydrophobicContact CD1-CD1 4.26Å; L48-F51 WeakPolarHBondContact O-CB 3.37Å; L48-F51 PolarHBondContact O-N 2.75Å; L48-F51 VanDerWaalsContact O-N 3.08Å; L48-L52 HydrophobicContact CD1-CD1 4.43Å; L48-L52 HydrophobicContact CD1-CG 4.23Å; L48-L52 HydrophobicContact CG-CD1 4.13Å; L48-L52 HydrophobicContact CG-CG 4.36Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.28Å; L48-L52 PolarHBondContact O-N 3.01Å; L48-F83 HydrophobicContact CB-CD1 4.1Å; L48-F83 HydrophobicContact CB-CE1 3.85Å; L48-F83 HydrophobicContact CB-CZ 4.43Å; L48-F83 HydrophobicContact CD1-CB 4.33Å; L48-F83 HydrophobicContact CD1-CD1 3.84Å; L48-F83 HydrophobicContact CD1-CE1 4.45Å; L48-F83 HydrophobicContact CD1-CG 4.27Å; L48-W86 HydrophobicContact CD2-CE3 3.74Å; L48-W86 HydrophobicContact CD2-CH2 4.33Å; L48-W86 HydrophobicContact CD2-CZ3 3.51Å; L48-V87 HydrophobicContact CD1-CG2 3.53Å
49G98.3Very high98.4Very high29 Ų2961.2 Ų61.230%0.29931%0.312SS..Hα-helixtrans-54.9-46.317600000112Y45 L46 L47 L52 I53Y45-G49 PolarHBondContact O-N 3.16Å; L46-G49 PolarHBondContact O-N 3.43Å; L47-G49 VanDerWaalsContact C-N 3.28Å; L47-G49 PolarHBondContact O-N 3Å; G49-L52 PolarHBondContact O-N 3.37Å; G49-I53 WeakPolarHBondContact O-CG1 3.4Å; G49-I53 PolarHBondContact O-N 3.13Å
50Q98.7Very high98.4Very high39 Ų3960.6 Ų60.618%0.18231%0.312CS..Hα-helixtrans-63.2-42.3174.6-175.169.26.400112.6F41 L46 L47 L48 L52 I53 L54 W64F41-Q50 HydrophobicContact CE1-CB 4.13Å; L46-Q50 PolarHBondContact O-N 3.23Å; L47-Q50 PolarHBondContact O-N 3.44Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.66Å; Q50-L52 VanDerWaalsContact C-N 3.27Å; Q50-L52 PolarHBondContact O-N 3.13Å; Q50-I53 PolarHBondContact O-N 3.04Å; Q50-L54 HydrophobicContact CG-CD1 4.28Å; Q50-L54 WeakPolarHBondContact O-CG 3.4Å; Q50-L54 PolarHBondContact O-N 3.23Å; Q50-W64 HydrophobicContact CB-CH2 3.91Å; Q50-W64 HydrophobicContact CB-CZ2 4.3Å; Q50-W64 HydrophobicContact CB-CZ3 4.15Å; Q50-W64 HydrophobicContact CG-CD2 3.83Å; Q50-W64 HydrophobicContact CG-CE3 3.81Å; Q50-W64 HydrophobicContact CG-CH2 3.52Å; Q50-W64 HydrophobicContact CG-CZ2 3.54Å; Q50-W64 HydrophobicContact CG-CZ3 3.67Å
51F98.7Very high98.5Very high0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-57.5-41.6175.7179.1-113.7000111.9L47 L48 L54 Q56 F61 F83 T84 V87L47-F51 PolarHBondContact O-N 2.91Å; L48-F51 HydrophobicContact CD1-CD1 4.26Å; L48-F51 WeakPolarHBondContact O-CB 3.37Å; L48-F51 PolarHBondContact O-N 2.75Å; L48-F51 VanDerWaalsContact O-N 3.08Å; F51-L54 CarbonylContact O-C 3.54Å; F51-L54 PolarHBondContact O-N 2.86Å; F51-Q56 HydrophobicContact CD1-CB 4.39Å; F51-Q56 HydrophobicContact CD1-CG 4.17Å; F51-Q56 HydrophobicContact CE1-CB 3.68Å; F51-Q56 HydrophobicContact CE1-CG 3.74Å; F51-Q56 HydrophobicContact CE2-CB 4.37Å; F51-Q56 VanDerWaalsContact CZ-CA 3.46Å; F51-Q56 HydrophobicContact CZ-CB 3.67Å; F51-Q56 HydrophobicContact CZ-CG 4.27Å; F51-Q56 WeakPolarHBondContact CZ-O 3.35Å; F51-Q56 WeakPolarHBondContact O-CA 3.23Å; F51-Q56 PolarHBondContact O-N 2.9Å; F51-F61 HydrophobicContact CB-CD2 3.76Å; F51-F61 HydrophobicContact CB-CE2 3.94Å; F51-F61 HydrophobicContact CB-CG 4.4Å; F51-F61 HydrophobicContact CD2-CB 3.66Å; F51-F61 HydrophobicContact CD2-CD1 4.17Å; F51-F61 AromaticContact CD2-CD2 3.83Å; F51-F61 HydrophobicContact CD2-CD2 3.83Å; F51-F61 AromaticContact CD2-CG 3.6Å; F51-F61 HydrophobicContact CD2-CG 3.6Å; F51-F61 HydrophobicContact CE2-CB 4.17Å; F51-F61 HydrophobicContact CE2-CG 4.39Å; F51-F61 HydrophobicContact CG-CD2 4.29Å; F51-F61 HydrophobicContact CG-CG 4.46Å; F51-F83 HydrophobicContact CB-CD2 4.34Å; F51-F83 HydrophobicContact CD1-CB 3.65Å; F51-F83 HydrophobicContact CD1-CG 4.46Å; F51-F83 HydrophobicContact CE1-CB 3.83Å; F51-F83 HydrophobicContact CG-CB 4.06Å; F51-F83 HydrophobicContact CG-CD2 4.47Å; F51-F83 HydrophobicContact CZ-CB 4.39Å; F51-T84 WeakPolarHBondContact CZ-OG1 3.47Å; F51-V87 HydrophobicContact CD1-CG2 4.4Å; F51-V87 HydrophobicContact CE1-CG2 4.33Å
52L98.5Very high98.5Very high64 Ų6456.8 Ų56.834%0.33528%0.282SS..Hα-helixtrans-68.4-39.9176.5-63.9174.8000112.4L48 G49 Q50 L54 K55 Q56 V87 L91L48-L52 HydrophobicContact CD1-CD1 4.43Å; L48-L52 HydrophobicContact CD1-CG 4.23Å; L48-L52 HydrophobicContact CG-CD1 4.13Å; L48-L52 HydrophobicContact CG-CG 4.36Å; L48-L52 VanDerWaalsContact O-CG 3.32Å; L48-L52 WeakPolarHBondContact O-CG 3.28Å; L48-L52 PolarHBondContact O-N 3.01Å; G49-L52 PolarHBondContact O-N 3.37Å; Q50-L52 VanDerWaalsContact C-N 3.27Å; Q50-L52 PolarHBondContact O-N 3.13Å; L52-L54 PolarHBondContact O-N 3.02Å; L52-K55 WeakPolarHBondContact O-CA 2.94Å; L52-K55 PolarHBondContact O-N 3.45Å; L52-Q56 HydrophobicContact CD2-CG 3.9Å; L52-V87 HydrophobicContact CD2-CG1 4.43Å; L52-V87 HydrophobicContact CD2-CG2 4.01Å; L52-L91 HydrophobicContact CD1-CD1 4.01Å; L52-L91 HydrophobicContact CD2-CD1 4.37Å
53I98.6Very high98.5Very high123 Ų12356.5 Ų56.563%0.63128%0.283SS*.Hα-helixtrans-58.6-38.3173.3-71.9167.3000110.9G49 Q50 K55G49-I53 WeakPolarHBondContact O-CG1 3.4Å; G49-I53 PolarHBondContact O-N 3.13Å; Q50-I53 PolarHBondContact O-N 3.04Å; I53-K55 PolarHBondContact O-N 3.38Å; I53-K55 VanDerWaalsContact O-N 3.13Å
54L98.7Very high98.5Very high36 Ų3656.7 Ų56.719%0.18828%0.282CS..THydrogen-bonded Turntrans-77.917.4174.4-62.8176.4000113.4Q50 F51 L52 Q56 S57 L60 F61 W64Q50-L54 HydrophobicContact CG-CD1 4.28Å; Q50-L54 WeakPolarHBondContact O-CG 3.4Å; Q50-L54 PolarHBondContact O-N 3.23Å; F51-L54 CarbonylContact O-C 3.54Å; F51-L54 PolarHBondContact O-N 2.86Å; L52-L54 PolarHBondContact O-N 3.02Å; L54-Q56 PolarHBondContact O-N 3.32Å; L54-S57 VanDerWaalsContact O-CB 3.29Å; L54-S57 WeakPolarHBondContact O-CB 3.36Å; L54-S57 PolarHBondContact O-N 3.5Å; L54-L60 HydrophobicContact CB-CB 4.47Å; L54-L60 HydrophobicContact CD1-CB 4.43Å; L54-F61 HydrophobicContact CD1-CB 4.13Å; L54-F61 HydrophobicContact CD1-CD2 4.35Å; L54-W64 HydrophobicContact CD1-CB 4.06Å; L54-W64 HydrophobicContact CD1-CG 4.25Å
55K98.1Very high98.5Very high189 Ų18956.7 Ų56.782%0.82228%0.282SS*.THydrogen-bonded Turntrans54.636.2178.4-55.3-176.5180-178.60112.9L52 I53 S57L52-K55 WeakPolarHBondContact O-CA 2.94Å; L52-K55 PolarHBondContact O-N 3.45Å; I53-K55 PolarHBondContact O-N 3.38Å; I53-K55 VanDerWaalsContact O-N 3.13Å; K55-S57 PolarHBondContact O-N 3.5Å; K55-S57 VanDerWaalsContact O-N 3.08Å
56Q98.3Very high98.5Very high94 Ų9454.3 Ų54.344%0.43928%0.275SS..THydrogen-bonded Turntrans58.121-178.6-55.8166.2-108.400113.7F51 L52 L54 E58F51-Q56 HydrophobicContact CD1-CB 4.39Å; F51-Q56 HydrophobicContact CD1-CG 4.17Å; F51-Q56 HydrophobicContact CE1-CB 3.68Å; F51-Q56 HydrophobicContact CE1-CG 3.74Å; F51-Q56 HydrophobicContact CE2-CB 4.37Å; F51-Q56 VanDerWaalsContact CZ-CA 3.46Å; F51-Q56 HydrophobicContact CZ-CB 3.67Å; F51-Q56 HydrophobicContact CZ-CG 4.27Å; F51-Q56 WeakPolarHBondContact CZ-O 3.35Å; F51-Q56 WeakPolarHBondContact O-CA 3.23Å; F51-Q56 PolarHBondContact O-N 2.9Å; L52-Q56 HydrophobicContact CD2-CG 3.9Å; L54-Q56 PolarHBondContact O-N 3.32Å; Q56-E58 PolarHBondContact O-N 3.03Å; Q56-E58 VanDerWaalsContact O-N 3.13Å
57S98.5Very high98.5Very high41 Ų4158 Ų5829%0.28730%0.295SS..  trans-71.9109176.3177.30000109.7L54 K55 E59 L60 F61L54-S57 VanDerWaalsContact O-CB 3.29Å; L54-S57 WeakPolarHBondContact O-CB 3.36Å; L54-S57 PolarHBondContact O-N 3.5Å; K55-S57 PolarHBondContact O-N 3.5Å; K55-S57 VanDerWaalsContact O-N 3.08Å; S57-E59 VanDerWaalsContact C-N 3.33Å; S57-E59 PolarHBondContact O-N 3.3Å; S57-L60 PolarHBondContact O-N 3.44Å; S57-L60 WeakPolarHBondContact OG-CG 3.3Å; S57-L60 PolarHBondContact OG-N 3.28Å; S57-F61 WeakPolarHBondContact O-CB 3.39Å; S57-F61 PolarHBondContact O-N 2.96Å
58E98.5Very high98.4Very high87 Ų8759.8 Ų59.841%0.40730%0.304SS..Hα-helixtrans-57.4-44.6178.1-65.2-169.217600111.6Q56 F61 V62 A80 T84Q56-E58 PolarHBondContact O-N 3.03Å; Q56-E58 VanDerWaalsContact O-N 3.13Å; E58-F61 PolarHBondContact O-N 3.3Å; E58-V62 VanDerWaalsContact O-CB 3.25Å; E58-V62 WeakPolarHBondContact O-CB 3.38Å; E58-V62 WeakPolarHBondContact O-CG2 3.49Å; E58-V62 PolarHBondContact O-N 2.97Å; E58-A80 HydrophobicContact CB-CB 4.14Å; E58-A80 HydrophobicContact CG-CB 4.14Å; E58-T84 WeakPolarHBondContact OE1-CB 3.23Å; E58-T84 PolarHBondContact OE1-OG1 2.96Å
59E98.4Very high98.2Very high106 Ų10659.2 Ų59.250%0.49530%0.302SS..Hα-helixtrans-66.3-42.1-178.8-171.563.3-158.400112.7S57 T63 R73S57-E59 VanDerWaalsContact C-N 3.33Å; S57-E59 PolarHBondContact O-N 3.3Å; E59-T63 WeakPolarHBondContact O-CB 3.38Å; E59-T63 PolarHBondContact O-N 2.88Å; E59-T63 PolarHBondContact O-OG1 3.48Å; E59-R73 IonicContact OE1-CZ 3.26Å; E59-R73 IonicContact OE1-NH1 3.83Å; E59-R73 PolarHBondContact OE1-NH1 2.91Å; E59-R73 VanDerWaalsContact OE1-NH1 3.11Å; E59-R73 IonicContact OE1-NH2 3.08Å; E59-R73 PolarHBondContact OE1-NH2 2.84Å; E59-R73 IonicContact OE2-NH1 3.13Å; E59-R73 PolarHBondContact OE2-NH1 3.32Å
60L98.6Very high98.2Very high100 Ų10059.9 Ų59.952%0.52431%0.309SS..Hα-helixtrans-65.7-41.7176.9-68.8179.1000110.9L54 S57 W64L54-L60 HydrophobicContact CB-CB 4.47Å; L54-L60 HydrophobicContact CD1-CB 4.43Å; S57-L60 PolarHBondContact O-N 3.44Å; S57-L60 WeakPolarHBondContact OG-CG 3.3Å; S57-L60 PolarHBondContact OG-N 3.28Å; L60-W64 WeakPolarHBondContact O-CB 3.25Å; L60-W64 PolarHBondContact O-N 2.97Å
61F98.8Very high98.1Very high0 Ų058.4 Ų58.40%030%0.302CS..Hα-helixtrans-67.9-43.1178178-94000112.3L47 F51 L54 S57 E58 T63 W64 V65 C79 A80 F83L47-F61 HydrophobicContact CD2-CE2 4.06Å; L47-F61 HydrophobicContact CD2-CZ 3.92Å; F51-F61 HydrophobicContact CB-CD2 3.76Å; F51-F61 HydrophobicContact CB-CE2 3.94Å; F51-F61 HydrophobicContact CB-CG 4.4Å; F51-F61 HydrophobicContact CD2-CB 3.66Å; F51-F61 HydrophobicContact CD2-CD1 4.17Å; F51-F61 AromaticContact CD2-CD2 3.83Å; F51-F61 HydrophobicContact CD2-CD2 3.83Å; F51-F61 AromaticContact CD2-CG 3.6Å; F51-F61 HydrophobicContact CD2-CG 3.6Å; F51-F61 HydrophobicContact CE2-CB 4.17Å; F51-F61 HydrophobicContact CE2-CG 4.39Å; F51-F61 HydrophobicContact CG-CD2 4.29Å; F51-F61 HydrophobicContact CG-CG 4.46Å; L54-F61 HydrophobicContact CD1-CB 4.13Å; L54-F61 HydrophobicContact CD1-CD2 4.35Å; S57-F61 WeakPolarHBondContact O-CB 3.39Å; S57-F61 PolarHBondContact O-N 2.96Å; E58-F61 PolarHBondContact O-N 3.3Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 3.04Å; F61-W64 HydrophobicContact CD2-CE3 4.05Å; F61-W64 HydrophobicContact CD2-CZ3 4.32Å; F61-W64 AromaticContact CE2-CE3 3.99Å; F61-W64 HydrophobicContact CE2-CE3 3.99Å; F61-W64 AromaticContact CE2-CZ3 3.82Å; F61-W64 HydrophobicContact CE2-CZ3 3.82Å; F61-W64 HydrophobicContact CZ-CZ3 4.49Å; F61-W64 PolarHBondContact O-N 2.78Å; F61-V65 HydrophobicContact CD1-CG1 4.43Å; F61-V65 HydrophobicContact CE1-CB 4.33Å; F61-V65 HydrophobicContact CE1-CG1 4.09Å; F61-V65 HydrophobicContact CZ-CB 4.28Å; F61-V65 HydrophobicContact CZ-CG2 4.41Å; F61-V65 WeakPolarHBondContact O-CB 3.15Å; F61-V65 WeakPolarHBondContact O-CG1 3.43Å; F61-V65 PolarHBondContact O-N 3.11Å; F61-C79 HydrophobicContact CE1-CB 4.19Å; F61-C79 VanDerWaalsContact CE1-SG 3.59Å; F61-A80 HydrophobicContact CD1-CB 3.9Å; F61-A80 HydrophobicContact CE1-CB 4.44Å; F61-F83 HydrophobicContact CE1-CD2 4.1Å; F61-F83 HydrophobicContact CE1-CE2 4.27Å; F61-F83 HydrophobicContact CE2-CD2 4.43Å; F61-F83 HydrophobicContact CE2-CE2 4.33Å; F61-F83 AromaticContact CZ-CD2 3.83Å; F61-F83 HydrophobicContact CZ-CD2 3.83Å; F61-F83 AromaticContact CZ-CE2 3.66Å; F61-F83 HydrophobicContact CZ-CE2 3.66Å
62V98.8Very high98.1Very high3 Ų360.8 Ų60.82%0.01832%0.318CS..Hα-helixtrans-57.4-50.1175.5163.60000109.8E58 W64 V65 M66 R73 A76 E77 A80E58-V62 VanDerWaalsContact O-CB 3.25Å; E58-V62 WeakPolarHBondContact O-CB 3.38Å; E58-V62 WeakPolarHBondContact O-CG2 3.49Å; E58-V62 PolarHBondContact O-N 2.97Å; V62-W64 PolarHBondContact O-N 3.43Å; V62-V65 PolarHBondContact O-N 2.76Å; V62-M66 HydrophobicContact CG1-SD 3.78Å; V62-M66 WeakPolarHBondContact O-CB 3.46Å; V62-M66 WeakPolarHBondContact O-CG 3.1Å; V62-M66 PolarHBondContact O-N 3.18Å; V62-R73 HydrophobicContact CG1-CG 4.33Å; V62-A76 HydrophobicContact CB-CB 4.28Å; V62-A76 HydrophobicContact CG1-CB 3.9Å; V62-A76 HydrophobicContact CG2-CB 4.21Å; V62-E77 HydrophobicContact CG1-CG 4.48Å; V62-E77 HydrophobicContact CG2-CG 4.06Å; V62-A80 HydrophobicContact CG2-CB 3.89Å
63T98.6Very high98.1Very high57 Ų5762.5 Ų62.535%0.3532%0.32SS..Hα-helixtrans-60-49.4177.8-56.20000110.9E59 F61 V65 M66 D67E59-T63 WeakPolarHBondContact O-CB 3.38Å; E59-T63 PolarHBondContact O-N 2.88Å; E59-T63 PolarHBondContact O-OG1 3.48Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 3.04Å; T63-V65 PolarHBondContact O-N 3.5Å; T63-M66 PolarHBondContact O-N 2.84Å; T63-D67 PolarHBondContact O-N 3.26Å
64W98.6Very high98Very high55 Ų5563.3 Ų63.321%0.20832%0.319CS..Hα-helixtrans-61.2-44.8-178.8171.883.7000113.1F41 L47 Q50 L54 L60 F61 V62 M66 D67 M68F41-W64 HydrophobicContact CD1-CH2 4.32Å; F41-W64 HydrophobicContact CD2-CH2 4.47Å; F41-W64 AromaticContact CE1-CH2 3.83Å; F41-W64 HydrophobicContact CE1-CH2 3.83Å; F41-W64 HydrophobicContact CE1-CZ2 4.2Å; F41-W64 AromaticContact CE2-CH2 3.99Å; F41-W64 HydrophobicContact CE2-CH2 3.99Å; F41-W64 AromaticContact CE2-CZ2 3.86Å; F41-W64 HydrophobicContact CE2-CZ2 3.86Å; F41-W64 AromaticContact CZ-CH2 3.64Å; F41-W64 HydrophobicContact CZ-CH2 3.64Å; F41-W64 AromaticContact CZ-CZ2 3.57Å; F41-W64 HydrophobicContact CZ-CZ2 3.57Å; L47-W64 HydrophobicContact CD2-CH2 3.98Å; L47-W64 HydrophobicContact CD2-CZ3 3.64Å; Q50-W64 HydrophobicContact CB-CH2 3.91Å; Q50-W64 HydrophobicContact CB-CZ2 4.3Å; Q50-W64 HydrophobicContact CB-CZ3 4.15Å; Q50-W64 HydrophobicContact CG-CD2 3.83Å; Q50-W64 HydrophobicContact CG-CE3 3.81Å; Q50-W64 HydrophobicContact CG-CH2 3.52Å; Q50-W64 HydrophobicContact CG-CZ2 3.54Å; Q50-W64 HydrophobicContact CG-CZ3 3.67Å; L54-W64 HydrophobicContact CD1-CB 4.06Å; L54-W64 HydrophobicContact CD1-CG 4.25Å; L60-W64 WeakPolarHBondContact O-CB 3.25Å; L60-W64 PolarHBondContact O-N 2.97Å; F61-W64 HydrophobicContact CD2-CE3 4.05Å; F61-W64 HydrophobicContact CD2-CZ3 4.32Å; F61-W64 AromaticContact CE2-CE3 3.99Å; F61-W64 HydrophobicContact CE2-CE3 3.99Å; F61-W64 AromaticContact CE2-CZ3 3.82Å; F61-W64 HydrophobicContact CE2-CZ3 3.82Å; F61-W64 HydrophobicContact CZ-CZ3 4.49Å; F61-W64 PolarHBondContact O-N 2.78Å; V62-W64 PolarHBondContact O-N 3.43Å; W64-M66 VanDerWaalsContact C-N 3.33Å; W64-M66 PolarHBondContact O-N 3.38Å; W64-D67 PolarHBondContact O-N 3.25Å; W64-M68 HydrophobicContact CH2-CE 3.05Å; W64-M68 HydrophobicContact CZ2-CB 4.36Å; W64-M68 HydrophobicContact CZ2-CE 3.38Å; W64-M68 HydrophobicContact CZ2-CG 4.2Å; W64-M68 HydrophobicContact CZ3-CE 3.78Å; W64-M68 VanDerWaalsContact O-CB 3.28Å; W64-M68 WeakPolarHBondContact O-CB 3.34Å; W64-M68 PolarHBondContact O-N 2.97Å
65V98.4Very high98Very high0 Ų064.5 Ų64.50%032%0.324CS..Hα-helixtrans-75.6-25.2-177.479.10000112L36 L47 F61 V62 T63 G69 L71 A76L36-V65 HydrophobicContact CD2-CG2 4.36Å; L47-V65 HydrophobicContact CD2-CG2 4.1Å; F61-V65 HydrophobicContact CD1-CG1 4.43Å; F61-V65 HydrophobicContact CE1-CB 4.33Å; F61-V65 HydrophobicContact CE1-CG1 4.09Å; F61-V65 HydrophobicContact CZ-CB 4.28Å; F61-V65 HydrophobicContact CZ-CG2 4.41Å; F61-V65 WeakPolarHBondContact O-CB 3.15Å; F61-V65 WeakPolarHBondContact O-CG1 3.43Å; F61-V65 PolarHBondContact O-N 3.11Å; V62-V65 PolarHBondContact O-N 2.76Å; T63-V65 PolarHBondContact O-N 3.5Å; V65-G69 VanDerWaalsContact O-CA 3.3Å; V65-G69 WeakPolarHBondContact O-CA 3.49Å; V65-G69 PolarHBondContact O-N 3.44Å; V65-L71 HydrophobicContact CG1-CD2 4.1Å; V65-L71 HydrophobicContact CG2-CD1 4.16Å; V65-L71 HydrophobicContact CG2-CD2 4.02Å; V65-A76 HydrophobicContact CG1-CB 3.52Å
66M98.4Very high98Very high50 Ų5055.5 Ų55.525%0.24629%0.285CS..Hα-helixtrans-66-48.3168.6-72.1175.154.700110.8V62 T63 W64 G70 L71 R73 A76V62-M66 HydrophobicContact CG1-SD 3.78Å; V62-M66 WeakPolarHBondContact O-CB 3.46Å; V62-M66 WeakPolarHBondContact O-CG 3.1Å; V62-M66 PolarHBondContact O-N 3.18Å; T63-M66 PolarHBondContact O-N 2.84Å; W64-M66 VanDerWaalsContact C-N 3.33Å; W64-M66 PolarHBondContact O-N 3.38Å; M66-G70 WeakPolarHBondContact O-CA 3.47Å; M66-G70 PolarHBondContact O-N 3.13Å; M66-L71 WeakPolarHBondContact CG-O 3.25Å; M66-R73 HydrophobicContact CE-CB 4.15Å; M66-R73 VanDerWaalsContact SD-CA 3.57Å; M66-R73 HydrophobicContact SD-CB 3.76Å; M66-R73 HydrophobicContact SD-CG 4.3Å; M66-A76 HydrophobicContact CG-CB 3.81Å; M66-A76 HydrophobicContact SD-CB 4.45Å
67D98Very high98Very high133 Ų13355.4 Ų55.471%0.71128%0.284SS*.Hα-helixtrans-68.5-43.4-178.6-69.9-16.2000112.1T63 W64T63-D67 PolarHBondContact O-N 3.26Å; W64-D67 PolarHBondContact O-N 3.25Å
68M96.1Very high97.9Very high37 Ų3757.2 Ų57.218%0.18229%0.288CS..Hα-helixtrans-78.3-49.1-178.7-176.4-82.8-79.200112.5L36 E39 F41 W64L36-M68 HydrophobicContact CD2-CE 3.39Å; L36-M68 HydrophobicContact CD2-SD 3.73Å; E39-M68 HydrophobicContact CB-CG 4.49Å; E39-M68 HydrophobicContact CB-SD 3.65Å; E39-M68 HydrophobicContact CG-CG 4.36Å; E39-M68 HydrophobicContact CG-SD 3.7Å; F41-M68 HydrophobicContact CD2-CE 3.37Å; F41-M68 HydrophobicContact CD2-SD 4.15Å; F41-M68 HydrophobicContact CE2-CE 3.56Å; F41-M68 HydrophobicContact CE2-SD 4.4Å; F41-M68 HydrophobicContact CG-CE 3.97Å; F41-M68 HydrophobicContact CZ-CE 4.29Å; W64-M68 HydrophobicContact CH2-CE 3.05Å; W64-M68 HydrophobicContact CZ2-CB 4.36Å; W64-M68 HydrophobicContact CZ2-CE 3.38Å; W64-M68 HydrophobicContact CZ2-CG 4.2Å; W64-M68 HydrophobicContact CZ3-CE 3.78Å; W64-M68 VanDerWaalsContact O-CB 3.28Å; W64-M68 WeakPolarHBondContact O-CB 3.34Å; W64-M68 PolarHBondContact O-N 2.97Å
69G95.3Very high97.9Very high1 Ų153 Ų531%0.0127%0.269CS..Hα-helixtrans-96.4-7-172.100000114.8V65 L71V65-G69 VanDerWaalsContact O-CA 3.3Å; V65-G69 WeakPolarHBondContact O-CA 3.49Å; V65-G69 PolarHBondContact O-N 3.44Å; G69-L71 PolarHBondContact O-N 2.93Å
70G96.7Very high97.9Very high43 Ų4348 Ų4844%0.44325%0.245SC..  trans66.822.9-17600000113.7Y32 M66Y32-G70 WeakPolarHBondContact CE1-O 3.48Å; M66-G70 WeakPolarHBondContact O-CA 3.47Å; M66-G70 PolarHBondContact O-N 3.13Å
71L98Very high97.9Very high7 Ų748.2 Ų48.24%0.03724%0.242CC..  trans-66.1148178.1-83.367.7000110.3I28 Y32 L36 V65 M66 G69 H75 A76I28-L71 HydrophobicContact CG1-CD2 4.35Å; Y32-L71 HydrophobicContact CD1-CD1 3.85Å; Y32-L71 HydrophobicContact CD1-CG 4.01Å; Y32-L71 HydrophobicContact CD2-CG 4.15Å; Y32-L71 HydrophobicContact CE1-CG 4.33Å; Y32-L71 HydrophobicContact CE2-CG 4.46Å; Y32-L71 HydrophobicContact CG-CD1 3.88Å; Y32-L71 HydrophobicContact CG-CG 3.93Å; L36-L71 HydrophobicContact CD1-CD1 4.41Å; V65-L71 HydrophobicContact CG1-CD2 4.1Å; V65-L71 HydrophobicContact CG2-CD1 4.16Å; V65-L71 HydrophobicContact CG2-CD2 4.02Å; M66-L71 WeakPolarHBondContact CG-O 3.25Å; G69-L71 PolarHBondContact O-N 2.93Å; L71-H75 HydrophobicContact CD2-CB 4.43Å; L71-A76 HydrophobicContact CB-CB 4.24Å; L71-A76 HydrophobicContact CD2-CB 4.41Å
72S98.1Very high97.8Very high50 Ų5048.2 Ų48.235%0.3524%0.242SC..  trans-75.4152163.380.30000110.2K74 H75 A76S72-K74 VanDerWaalsContact C-N 3.27Å; S72-K74 PolarHBondContact O-N 2.89Å; S72-K74 VanDerWaalsContact O-N 3.17Å; S72-H75 PolarHBondContact O-N 3.46Å; S72-H75 PolarHBondContact OG-ND1 3.02Å; S72-A76 PolarHBondContact O-N 3.35Å
73R98Very high97.8Very high101 Ų10148.1 Ų48.138%0.38124%0.241SC..Hα-helixtrans-48.6-46.3-179.5179.5168.2-74.3-95.41.5113.1E59 V62 M66 H75 A76 E77E59-R73 IonicContact OE1-CZ 3.26Å; E59-R73 IonicContact OE1-NH1 3.83Å; E59-R73 PolarHBondContact OE1-NH1 2.91Å; E59-R73 VanDerWaalsContact OE1-NH1 3.11Å; E59-R73 IonicContact OE1-NH2 3.08Å; E59-R73 PolarHBondContact OE1-NH2 2.84Å; E59-R73 IonicContact OE2-NH1 3.13Å; E59-R73 PolarHBondContact OE2-NH1 3.32Å; V62-R73 HydrophobicContact CG1-CG 4.33Å; M66-R73 HydrophobicContact CE-CB 4.15Å; M66-R73 VanDerWaalsContact SD-CA 3.57Å; M66-R73 HydrophobicContact SD-CB 3.76Å; M66-R73 HydrophobicContact SD-CG 4.3Å; R73-H75 VanDerWaalsContact C-N 3.34Å; R73-H75 PolarHBondContact O-N 3.18Å; R73-A76 WeakPolarHBondContact O-CB 3.39Å; R73-A76 PolarHBondContact O-N 2.94Å; R73-E77 HydrophobicContact CG-CG 4.23Å; R73-E77 VanDerWaalsContact CG-OE1 3.23Å; R73-E77 WeakPolarHBondContact CG-OE1 3.47Å; R73-E77 WeakPolarHBondContact O-CB 3.25Å; R73-E77 VanDerWaalsContact O-CG 3.31Å; R73-E77 WeakPolarHBondContact O-CG 3.32Å; R73-E77 PolarHBondContact O-N 3.18Å
74K97.5Very high97.8Very high139 Ų13947.8 Ų47.860%0.60424%0.239SC*.Hα-helixtrans-55.8-43.9176.4-179.8-178.8176.4-178.70113.3S72 Q78S72-K74 VanDerWaalsContact C-N 3.27Å; S72-K74 PolarHBondContact O-N 2.89Å; S72-K74 VanDerWaalsContact O-N 3.17Å; K74-Q78 WeakPolarHBondContact O-CG 3.01Å; K74-Q78 PolarHBondContact O-N 3.44Å
75H97.7Very high97.7Very high61 Ų6148.4 Ų48.428%0.28224%0.244SC..Hα-helixtrans-73.4-37-179.9-69.796.2000111.3G27 Y32 L71 S72 R73 Q78 C79G27-H75 WeakPolarHBondContact O-CB 3.4Å; G27-H75 PolarHBondContact O-CD2 3.19Å; Y32-H75 HydrophobicContact CE2-CB 4.13Å; Y32-H75 AromaticContact CE2-CG 3.8Å; Y32-H75 AromaticContact CE2-ND1 3.99Å; L71-H75 HydrophobicContact CD2-CB 4.43Å; S72-H75 PolarHBondContact O-N 3.46Å; S72-H75 PolarHBondContact OG-ND1 3.02Å; R73-H75 VanDerWaalsContact C-N 3.34Å; R73-H75 PolarHBondContact O-N 3.18Å; H75-Q78 PolarHBondContact O-N 3.08Å; H75-C79 PolarHBondContact O-N 2.65Å; H75-C79 VanDerWaalsContact O-N 3.08Å
76A98.5Very high97.7Very high0 Ų049.3 Ų49.30%025%0.248CC..Hα-helixtrans-63.3-42.9174.800000111.7V62 V65 M66 L71 S72 R73 Q78 C79 A80V62-A76 HydrophobicContact CB-CB 4.28Å; V62-A76 HydrophobicContact CG1-CB 3.9Å; V62-A76 HydrophobicContact CG2-CB 4.21Å; V65-A76 HydrophobicContact CG1-CB 3.52Å; M66-A76 HydrophobicContact CG-CB 3.81Å; M66-A76 HydrophobicContact SD-CB 4.45Å; L71-A76 HydrophobicContact CB-CB 4.24Å; L71-A76 HydrophobicContact CD2-CB 4.41Å; S72-A76 PolarHBondContact O-N 3.35Å; R73-A76 WeakPolarHBondContact O-CB 3.39Å; R73-A76 PolarHBondContact O-N 2.94Å; A76-Q78 VanDerWaalsContact C-N 3.34Å; A76-Q78 PolarHBondContact O-N 3.49Å; A76-C79 WeakPolarHBondContact O-CB 3.32Å; A76-C79 PolarHBondContact O-N 3.16Å; A76-A80 PolarHBondContact O-N 2.92Å
77E98.2Very high97.6Very high92 Ų9247.2 Ų47.243%0.4324%0.237SC..Hα-helixtrans-62.9-38.8175.4-73.3166.7175.100112.1V62 R73 C79 A80 K81V62-E77 HydrophobicContact CG1-CG 4.48Å; V62-E77 HydrophobicContact CG2-CG 4.06Å; R73-E77 HydrophobicContact CG-CG 4.23Å; R73-E77 VanDerWaalsContact CG-OE1 3.23Å; R73-E77 WeakPolarHBondContact CG-OE1 3.47Å; R73-E77 WeakPolarHBondContact O-CB 3.25Å; R73-E77 VanDerWaalsContact O-CG 3.31Å; R73-E77 WeakPolarHBondContact O-CG 3.32Å; R73-E77 PolarHBondContact O-N 3.18Å; E77-C79 VanDerWaalsContact C-N 3.32Å; E77-C79 PolarHBondContact O-N 3.32Å; E77-A80 PolarHBondContact O-N 3.07Å; E77-K81 VanDerWaalsContact O-CB 3.32Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.07Å
78Q97.6Very high97.6Very high79 Ų7943.9 Ų43.937%0.36924%0.235SC..Hα-helixtrans-61.5-41.6173.4-74.1176.4-30.900112K74 H75 A76 A82K74-Q78 WeakPolarHBondContact O-CG 3.01Å; K74-Q78 PolarHBondContact O-N 3.44Å; H75-Q78 PolarHBondContact O-N 3.08Å; A76-Q78 VanDerWaalsContact C-N 3.34Å; A76-Q78 PolarHBondContact O-N 3.49Å; Q78-A82 WeakPolarHBondContact O-CB 3.14Å; Q78-A82 PolarHBondContact O-N 2.85Å; Q78-A82 VanDerWaalsContact O-N 3.08Å
79C97.9Very high97.6Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-64.3-49.8176.6-176.50000111.1V25 P26 F61 H75 A76 E77 K81 A82 F83V25-C79 HydrophobicContact CG1-CB 4.27Å; V25-C79 WeakPolarHBondContact CG1-SG 3.45Å; P26-C79 VanDerWaalsContact O-CA 3.25Å; P26-C79 WeakPolarHBondContact O-CA 3.14Å; P26-C79 WeakPolarHBondContact O-CB 3.45Å; P26-C79 PolarHBondContact O-N 2.62Å; F61-C79 HydrophobicContact CE1-CB 4.19Å; F61-C79 VanDerWaalsContact CE1-SG 3.59Å; H75-C79 PolarHBondContact O-N 2.65Å; H75-C79 VanDerWaalsContact O-N 3.08Å; A76-C79 WeakPolarHBondContact O-CB 3.32Å; A76-C79 PolarHBondContact O-N 3.16Å; E77-C79 VanDerWaalsContact C-N 3.32Å; E77-C79 PolarHBondContact O-N 3.32Å; C79-K81 PolarHBondContact O-N 3.48Å; C79-A82 PolarHBondContact O-N 3.08Å; C79-F83 WeakPolarHBondContact O-CD2 3.32Å; C79-F83 PolarHBondContact O-N 3.05Å; C79-F83 WeakPolarHBondContact SG-CE2 3.33Å
80A98.5Very high97.6Very high0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-57.1-49.6177.900000111.6E58 F61 V62 A76 E77 A82 F83 T84E58-A80 HydrophobicContact CB-CB 4.14Å; E58-A80 HydrophobicContact CG-CB 4.14Å; F61-A80 HydrophobicContact CD1-CB 3.9Å; F61-A80 HydrophobicContact CE1-CB 4.44Å; V62-A80 HydrophobicContact CG2-CB 3.89Å; A76-A80 PolarHBondContact O-N 2.92Å; E77-A80 PolarHBondContact O-N 3.07Å; A80-A82 VanDerWaalsContact C-N 3.33Å; A80-A82 PolarHBondContact O-N 2.98Å; A80-F83 PolarHBondContact O-N 2.99Å; A80-F83 VanDerWaalsContact O-N 3.15Å; A80-T84 PolarHBondContact O-N 2.91Å; A80-T84 PolarHBondContact O-OG1 3.23Å; A80-T84 VanDerWaalsContact O-OG1 3.13Å
81K97.8Very high97.4Very high105 Ų10555.9 Ų55.946%0.45729%0.285SS..Hα-helixtrans-60-42178.6-175.4177.5179.2-178.90112.3E77 C79 F83 T84 E85E77-K81 VanDerWaalsContact O-CB 3.32Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 PolarHBondContact O-N 3.07Å; C79-K81 PolarHBondContact O-N 3.48Å; K81-F83 VanDerWaalsContact C-N 3.34Å; K81-T84 PolarHBondContact O-N 3.06Å; K81-E85 WeakPolarHBondContact O-CB 3.4Å; K81-E85 PolarHBondContact O-N 3.31Å
82A97.6Very high97.3Very high0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-63.7-39.4177.300000112F12 P26 Q78 C79 A80 W86F12-A82 HydrophobicContact CD1-CB 4.11Å; F12-A82 HydrophobicContact CE1-CB 4.31Å; P26-A82 HydrophobicContact CB-CB 3.86Å; P26-A82 HydrophobicContact CG-CB 3.55Å; Q78-A82 WeakPolarHBondContact O-CB 3.14Å; Q78-A82 PolarHBondContact O-N 2.85Å; Q78-A82 VanDerWaalsContact O-N 3.08Å; C79-A82 PolarHBondContact O-N 3.08Å; A80-A82 VanDerWaalsContact C-N 3.33Å; A80-A82 PolarHBondContact O-N 2.98Å; A82-W86 VanDerWaalsContact O-CB 3.29Å; A82-W86 WeakPolarHBondContact O-CB 3.36Å; A82-W86 PolarHBondContact O-N 3.36Å
83F98.3Very high97.3Very high0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-69.9-43.1174.1-71.4-45.9000112.9F12 M17 V25 L47 L48 F51 F61 C79 A80 K81 E85 W86 V87F12-F83 HydrophobicContact CE1-CD1 4.11Å; F12-F83 HydrophobicContact CE1-CE1 4.12Å; F12-F83 HydrophobicContact CZ-CD1 4.15Å; F12-F83 AromaticContact CZ-CE1 3.69Å; F12-F83 HydrophobicContact CZ-CE1 3.69Å; M17-F83 HydrophobicContact CE-CD1 4.17Å; M17-F83 HydrophobicContact CE-CE1 3.95Å; V25-F83 HydrophobicContact CG1-CE1 4.33Å; V25-F83 HydrophobicContact CG1-CE2 4.11Å; V25-F83 HydrophobicContact CG1-CZ 3.81Å; V25-F83 HydrophobicContact CG2-CE1 4.45Å; V25-F83 HydrophobicContact CG2-CZ 4.01Å; L47-F83 HydrophobicContact CB-CE2 3.87Å; L47-F83 HydrophobicContact CB-CZ 3.63Å; L48-F83 HydrophobicContact CB-CD1 4.1Å; L48-F83 HydrophobicContact CB-CE1 3.85Å; L48-F83 HydrophobicContact CB-CZ 4.43Å; L48-F83 HydrophobicContact CD1-CB 4.33Å; L48-F83 HydrophobicContact CD1-CD1 3.84Å; L48-F83 HydrophobicContact CD1-CE1 4.45Å; L48-F83 HydrophobicContact CD1-CG 4.27Å; F51-F83 HydrophobicContact CB-CD2 4.34Å; F51-F83 HydrophobicContact CD1-CB 3.65Å; F51-F83 HydrophobicContact CD1-CG 4.46Å; F51-F83 HydrophobicContact CE1-CB 3.83Å; F51-F83 HydrophobicContact CG-CB 4.06Å; F51-F83 HydrophobicContact CG-CD2 4.47Å; F51-F83 HydrophobicContact CZ-CB 4.39Å; F61-F83 HydrophobicContact CE1-CD2 4.1Å; F61-F83 HydrophobicContact CE1-CE2 4.27Å; F61-F83 HydrophobicContact CE2-CD2 4.43Å; F61-F83 HydrophobicContact CE2-CE2 4.33Å; F61-F83 AromaticContact CZ-CD2 3.83Å; F61-F83 HydrophobicContact CZ-CD2 3.83Å; F61-F83 AromaticContact CZ-CE2 3.66Å; F61-F83 HydrophobicContact CZ-CE2 3.66Å; C79-F83 WeakPolarHBondContact O-CD2 3.32Å; C79-F83 PolarHBondContact O-N 3.05Å; C79-F83 WeakPolarHBondContact SG-CE2 3.33Å; A80-F83 PolarHBondContact O-N 2.99Å; A80-F83 VanDerWaalsContact O-N 3.15Å; K81-F83 VanDerWaalsContact C-N 3.34Å; F83-E85 VanDerWaalsContact C-N 3.27Å; F83-E85 PolarHBondContact O-N 2.93Å; F83-W86 PolarHBondContact O-N 3.36Å; F83-V87 WeakPolarHBondContact O-CB 3.31Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.46Å
84T98.2Very high97.3Very high50 Ų5056.4 Ų56.431%0.30729%0.29SS..Hα-helixtrans-53.7-47.7174.2-62.10000110.9F51 E58 A80 K81 G88F51-T84 WeakPolarHBondContact CZ-OG1 3.47Å; E58-T84 WeakPolarHBondContact OE1-CB 3.23Å; E58-T84 PolarHBondContact OE1-OG1 2.96Å; A80-T84 PolarHBondContact O-N 2.91Å; A80-T84 PolarHBondContact O-OG1 3.23Å; A80-T84 VanDerWaalsContact O-OG1 3.13Å; K81-T84 PolarHBondContact O-N 3.06Å; T84-G88 PolarHBondContact O-N 3.13Å
85E97.5Very high97.2Very high68 Ų6851.5 Ų51.532%0.31827%0.271SS..Hα-helixtrans-68.6-43.4179.5-174.9177.8166.200112.2H9 V13 K81 F83 V87 G88 Q89H9-E85 IonicContact CD2-OE2 3.18Å; H9-E85 IonicContact CE1-OE2 2.76Å; H9-E85 IonicContact NE2-OE2 3.36Å; H9-E85 PolarHBondContact NE2-OE2 3.08Å; V13-E85 HydrophobicContact CB-CG 4.41Å; V13-E85 HydrophobicContact CG1-CB 3.83Å; V13-E85 HydrophobicContact CG1-CG 3.7Å; K81-E85 WeakPolarHBondContact O-CB 3.4Å; K81-E85 PolarHBondContact O-N 3.31Å; F83-E85 VanDerWaalsContact C-N 3.27Å; F83-E85 PolarHBondContact O-N 2.93Å; E85-V87 PolarHBondContact O-N 3.32Å; E85-G88 PolarHBondContact O-N 3.18Å; E85-Q89 WeakPolarHBondContact O-CG 3.44Å; E85-Q89 PolarHBondContact O-N 2.84Å; E85-Q89 PolarHBondContact OE1-NE2 3.33Å
86W97.5Very high97.2Very high20 Ų2050.9 Ų50.98%0.07627%0.271CS..Hα-helixtrans-62.9-44178.4-170.895.2000111.3F12 V13 E15 M17 L48 A82 F83 Q89 N90 L91F12-W86 HydrophobicContact CE1-CB 4.4Å; V13-W86 HydrophobicContact CG1-CB 3.92Å; E15-W86 PolarHBondContact O-NE1 2.92Å; E15-W86 VanDerWaalsContact O-NE1 3.14Å; M17-W86 HydrophobicContact CB-CH2 3.96Å; M17-W86 HydrophobicContact CB-CZ2 3.53Å; M17-W86 HydrophobicContact CE-CD2 3.66Å; M17-W86 HydrophobicContact CE-CE3 3.95Å; M17-W86 HydrophobicContact CE-CG 3.94Å; M17-W86 HydrophobicContact CE-CZ3 4.48Å; L48-W86 HydrophobicContact CD2-CE3 3.74Å; L48-W86 HydrophobicContact CD2-CH2 4.33Å; L48-W86 HydrophobicContact CD2-CZ3 3.51Å; A82-W86 VanDerWaalsContact O-CB 3.29Å; A82-W86 WeakPolarHBondContact O-CB 3.36Å; A82-W86 PolarHBondContact O-N 3.36Å; F83-W86 PolarHBondContact O-N 3.36Å; W86-Q89 PolarHBondContact O-N 3.19Å; W86-N90 HydrophobicContact CD2-CB 4.14Å; W86-N90 HydrophobicContact CE3-CB 4.08Å; W86-N90 HydrophobicContact CH2-CB 3.56Å; W86-N90 HydrophobicContact CZ2-CB 3.61Å; W86-N90 HydrophobicContact CZ3-CB 3.81Å; W86-N90 WeakPolarHBondContact O-CB 3.33Å; W86-N90 PolarHBondContact O-N 3.27Å; W86-N90 VanDerWaalsContact O-N 3.08Å; W86-N90 PolarHBondContact O-ND2 3.19Å; W86-L91 HydrophobicContact CZ3-CD1 4.11Å; W86-L91 HydrophobicContact CZ3-CG 4.07Å
87V97.6Very high97.1Very high5 Ų554.3 Ų54.33%0.0329%0.289CS..Hα-helixtrans-60.2-50.6176.5172.50000110.1L48 F51 L52 F83 E85 Q89 N90 L91L48-V87 HydrophobicContact CD1-CG2 3.53Å; F51-V87 HydrophobicContact CD1-CG2 4.4Å; F51-V87 HydrophobicContact CE1-CG2 4.33Å; L52-V87 HydrophobicContact CD2-CG1 4.43Å; L52-V87 HydrophobicContact CD2-CG2 4.01Å; F83-V87 WeakPolarHBondContact O-CB 3.31Å; F83-V87 WeakPolarHBondContact O-CG2 3.48Å; F83-V87 PolarHBondContact O-N 3.46Å; E85-V87 PolarHBondContact O-N 3.32Å; V87-Q89 PolarHBondContact O-N 3.17Å; V87-N90 PolarHBondContact O-N 3.15Å; V87-L91 HydrophobicContact CG1-CB 4.14Å; V87-L91 HydrophobicContact CG1-CD1 4.4Å; V87-L91 HydrophobicContact CG2-CD1 4.36Å; V87-L91 PolarHBondContact O-N 2.82Å; V87-L91 VanDerWaalsContact O-OXT 3.09Å
88G97Very high97Very high64 Ų6451.6 Ų51.666%0.6628%0.279SS*.Hα-helixtrans-60.7-17.1179.900000115.2T84 E85T84-G88 PolarHBondContact O-N 3.13Å; E85-G88 PolarHBondContact O-N 3.18Å
89Q95.3Very high97Very high111 Ų11149.5 Ų49.552%0.51927%0.272SS..Hα-helixtrans-98.4-21.3176.3-68.2177.928.900113.8E85 W86 V87E85-Q89 WeakPolarHBondContact O-CG 3.44Å; E85-Q89 PolarHBondContact O-N 2.84Å; E85-Q89 PolarHBondContact OE1-NE2 3.33Å; W86-Q89 PolarHBondContact O-N 3.19Å; V87-Q89 PolarHBondContact O-N 3.17Å
90N95.5Very high96.9Very high70 Ų7053.7 Ų53.737%0.37429%0.294SS..Hα-helixtrans-131.1-8.1-164.8-63.4-86.8000115.2W86 V87W86-N90 HydrophobicContact CD2-CB 4.14Å; W86-N90 HydrophobicContact CE3-CB 4.08Å; W86-N90 HydrophobicContact CH2-CB 3.56Å; W86-N90 HydrophobicContact CZ2-CB 3.61Å; W86-N90 HydrophobicContact CZ3-CB 3.81Å; W86-N90 WeakPolarHBondContact O-CB 3.33Å; W86-N90 PolarHBondContact O-N 3.27Å; W86-N90 VanDerWaalsContact O-N 3.08Å; W86-N90 PolarHBondContact O-ND2 3.19Å; V87-N90 PolarHBondContact O-N 3.15Å
91L92.3Very high96.8Very high151 Ų15158.5 Ų58.579%0.79132%0.321SS*.  trans-135.50178-67.5177.1000110.6L52 W86 V87L52-L91 HydrophobicContact CD1-CD1 4.01Å; L52-L91 HydrophobicContact CD2-CD1 4.37Å; W86-L91 HydrophobicContact CZ3-CD1 4.11Å; W86-L91 HydrophobicContact CZ3-CG 4.07Å; V87-L91 HydrophobicContact CG1-CB 4.14Å; V87-L91 HydrophobicContact CG1-CD1 4.4Å; V87-L91 HydrophobicContact CG2-CD1 4.36Å; V87-L91 PolarHBondContact O-N 2.82Å; V87-L91 VanDerWaalsContact O-OXT 3.09Å

Retrieved 91 of 91 residues in 79.1 ms (Link to these results)

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