G4LY05_SCHMA Loading...

Septate junction protein

AlphaFold DB , UniProt , Accession G4LY05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.4Low81.5Confident183 Ų18387.1 Ų87.190%0.90143%0.428SS*.  0122.30-169171.7-17500108.1
2L61.3Low82.7Confident38 Ų3886.2 Ų86.220%0.19944%0.437CS..  trans-64.8140.7172-169.869.8000108.3D4 N7 L10 K194 L198L2-D4 PolarHBondContact O-N 2.97Å; L2-D4 VanDerWaalsContact O-N 3.17Å; L2-N7 HydrophobicContact CD2-CB 4.07Å; L2-L10 HydrophobicContact CD2-CD1 4.38Å; L2-K194 HydrophobicContact CD1-CD 4.29Å; L2-L198 HydrophobicContact CB-CD1 4.01Å
3P74.8Confident83.8Confident79 Ų7983.5 Ų83.551%0.51343%0.43SS..  trans-55.8124.9178.7-25.234.7000110.6V5 E6 N7P3-V5 PolarHBondContact O-N 3.46Å; P3-E6 HydrophobicContact CB-CB 4.28Å; P3-E6 WeakPolarHBondContact O-CA 3.21Å; P3-E6 WeakPolarHBondContact O-CB 3.07Å; P3-E6 PolarHBondContact O-N 2.98Å; P3-N7 PolarHBondContact O-N 2.87Å
4D79.9Confident84.7Confident77 Ų7777.9 Ų77.941%0.41240%0.401SS..Hα-helixtrans-56-30.6-173.5-81.6-41.9000113L2 K8L2-D4 PolarHBondContact O-N 2.97Å; L2-D4 VanDerWaalsContact O-N 3.17Å; D4-K8 VanDerWaalsContact O-CB 3.28Å; D4-K8 WeakPolarHBondContact O-CB 3.38Å; D4-K8 VanDerWaalsContact O-CD 3.28Å; D4-K8 WeakPolarHBondContact O-CD 3.46Å; D4-K8 WeakPolarHBondContact O-CG 3.33Å; D4-K8 PolarHBondContact O-N 3.29Å
5V84.2Confident85.6Confident93 Ų9375.4 Ų75.456%0.56439%0.391SS*.Hα-helixtrans-66.5-39.9175.3-177.40000111.7P3 R9P3-V5 PolarHBondContact O-N 3.46Å; V5-R9 WeakPolarHBondContact O-CB 3.36Å; V5-R9 WeakPolarHBondContact O-CG 3.47Å; V5-R9 PolarHBondContact O-N 3.01Å; V5-R9 VanDerWaalsContact O-N 3.09Å
6E86.2Confident86.3Confident62 Ų6278.3 Ų78.329%0.2940%0.399SS..Hα-helixtrans-67.8-48.3175.4-169.9-171.9156.700110.4P3 K8 R9 L10 K194P3-E6 HydrophobicContact CB-CB 4.28Å; P3-E6 WeakPolarHBondContact O-CA 3.21Å; P3-E6 WeakPolarHBondContact O-CB 3.07Å; P3-E6 PolarHBondContact O-N 2.98Å; E6-K8 PolarHBondContact O-N 3.16Å; E6-R9 PolarHBondContact O-N 3.12Å; E6-R9 VanDerWaalsContact O-N 3.13Å; E6-L10 HydrophobicContact CG-CD1 4.02Å; E6-L10 HydrophobicContact CG-CG 4.35Å; E6-L10 WeakPolarHBondContact O-CG 3.29Å; E6-L10 PolarHBondContact O-N 3.27Å; E6-K194 IonicContact OE1-NZ 2.62Å; E6-K194 PolarHBondContact OE1-NZ 2.89Å
7N85.6Confident87Confident48 Ų4876.2 Ų76.226%0.25739%0.387SS..Hα-helixtrans-57-48.4178.3-1686.2000111.7L2 P3 R9 L10 F11L2-N7 HydrophobicContact CD2-CB 4.07Å; P3-N7 PolarHBondContact O-N 2.87Å; N7-R9 VanDerWaalsContact C-N 3.32Å; N7-R9 PolarHBondContact O-N 3.42Å; N7-L10 PolarHBondContact O-N 3.42Å; N7-F11 WeakPolarHBondContact O-CB 3.36Å; N7-F11 PolarHBondContact O-N 3.41Å
8K89.9Confident87.7Confident141 Ų14172 Ų7261%0.61337%0.366SS*.Hα-helixtrans-62-36.6177.1-71.3164.2-169.1170.30112.4D4 E6 S12D4-K8 VanDerWaalsContact O-CB 3.28Å; D4-K8 WeakPolarHBondContact O-CB 3.38Å; D4-K8 VanDerWaalsContact O-CD 3.28Å; D4-K8 WeakPolarHBondContact O-CD 3.46Å; D4-K8 WeakPolarHBondContact O-CG 3.33Å; D4-K8 PolarHBondContact O-N 3.29Å; E6-K8 PolarHBondContact O-N 3.16Å; K8-S12 WeakPolarHBondContact O-CB 3.31Å; K8-S12 PolarHBondContact O-N 2.96Å; K8-S12 VanDerWaalsContact O-N 3.1Å
9R92.8Very high88.2Confident179 Ų17969.7 Ų69.768%0.67536%0.359SS*.Hα-helixtrans-68.6-50175.2-76.8173178.7-1640.1112V5 E6 N7 F11 S12 C13V5-R9 WeakPolarHBondContact O-CB 3.36Å; V5-R9 WeakPolarHBondContact O-CG 3.47Å; V5-R9 PolarHBondContact O-N 3.01Å; V5-R9 VanDerWaalsContact O-N 3.09Å; E6-R9 PolarHBondContact O-N 3.12Å; E6-R9 VanDerWaalsContact O-N 3.13Å; N7-R9 VanDerWaalsContact C-N 3.32Å; N7-R9 PolarHBondContact O-N 3.42Å; R9-F11 PolarHBondContact O-N 3Å; R9-S12 WeakPolarHBondContact O-CB 3.46Å; R9-S12 PolarHBondContact O-N 3.35Å; R9-C13 PolarHBondContact O-N 3.01Å; R9-C13 PolarHBondContact O-SG 2.89Å; R9-C13 VanDerWaalsContact O-SG 3.4Å
10L93.7Very high88.7Confident35 Ų3570.8 Ų70.818%0.18336%0.361CS..Hα-helixtrans-58.2-46.6178.2-68.7172.3000111.2L2 E6 N7 S12 C13 I14 I187L2-L10 HydrophobicContact CD2-CD1 4.38Å; E6-L10 HydrophobicContact CG-CD1 4.02Å; E6-L10 HydrophobicContact CG-CG 4.35Å; E6-L10 WeakPolarHBondContact O-CG 3.29Å; E6-L10 PolarHBondContact O-N 3.27Å; N7-L10 PolarHBondContact O-N 3.42Å; L10-S12 PolarHBondContact O-N 3.02Å; L10-C13 PolarHBondContact O-N 3.47Å; L10-I14 WeakPolarHBondContact O-CG1 3.4Å; L10-I14 PolarHBondContact O-N 3.35Å; L10-I187 HydrophobicContact CD2-CG2 4.08Å
11F94.7Very high89.2Confident23 Ų2367.4 Ų67.410%0.10134%0.344CS..Hα-helixtrans-59.7-43.3175.5-178.5-98.8000112.6N7 R9 C13 I14 V15 Q115 V116 K122N7-F11 WeakPolarHBondContact O-CB 3.36Å; N7-F11 PolarHBondContact O-N 3.41Å; R9-F11 PolarHBondContact O-N 3Å; F11-C13 VanDerWaalsContact C-N 3.32Å; F11-C13 PolarHBondContact O-N 3.29Å; F11-I14 PolarHBondContact O-N 3.33Å; F11-V15 HydrophobicContact CD1-CG2 4.1Å; F11-V15 HydrophobicContact CE1-CG2 3.58Å; F11-V15 HydrophobicContact CE2-CG2 4.21Å; F11-V15 HydrophobicContact CZ-CG2 3.64Å; F11-V15 WeakPolarHBondContact O-CG2 3.45Å; F11-V15 PolarHBondContact O-N 3.33Å; F11-Q115 HydrophobicContact CE2-CB 3.75Å; F11-Q115 HydrophobicContact CZ-CB 3.89Å; F11-V116 HydrophobicContact CE1-CG2 3.95Å; F11-V116 HydrophobicContact CZ-CG2 3.8Å; F11-K122 HydrophobicContact CD1-CD 3.86Å; F11-K122 HydrophobicContact CD2-CB 4.24Å; F11-K122 HydrophobicContact CD2-CD 3.92Å; F11-K122 HydrophobicContact CD2-CG 3.87Å; F11-K122 HydrophobicContact CE1-CD 3.87Å; F11-K122 VanDerWaalsContact CE1-CE 3.42Å; F11-K122 HydrophobicContact CE1-CG 4.49Å; F11-K122 HydrophobicContact CE2-CB 4.43Å; F11-K122 HydrophobicContact CE2-CD 3.94Å; F11-K122 HydrophobicContact CE2-CG 3.7Å; F11-K122 HydrophobicContact CG-CD 3.89Å; F11-K122 HydrophobicContact CG-CG 4.36Å; F11-K122 HydrophobicContact CZ-CD 3.91Å; F11-K122 HydrophobicContact CZ-CG 4.03Å
12S95.7Very high91.3Very high76 Ų7660.2 Ų60.253%0.53131%0.308SS..Hα-helixtrans-59.8-41.7176.2-167.30000112.1K8 R9 L10 V15 F16K8-S12 WeakPolarHBondContact O-CB 3.31Å; K8-S12 PolarHBondContact O-N 2.96Å; K8-S12 VanDerWaalsContact O-N 3.1Å; R9-S12 WeakPolarHBondContact O-CB 3.46Å; R9-S12 PolarHBondContact O-N 3.35Å; L10-S12 PolarHBondContact O-N 3.02Å; S12-V15 PolarHBondContact O-N 2.99Å; S12-F16 PolarHBondContact O-N 2.93Å
13C97Very high93.1Very high51 Ų5161.4 Ų61.435%0.34532%0.318SS..Hα-helixtrans-64.6-42.5174.1-64.30000112.4R9 L10 F11 V15 F16 F17 I187R9-C13 PolarHBondContact O-N 3.01Å; R9-C13 PolarHBondContact O-SG 2.89Å; R9-C13 VanDerWaalsContact O-SG 3.4Å; L10-C13 PolarHBondContact O-N 3.47Å; F11-C13 VanDerWaalsContact C-N 3.32Å; F11-C13 PolarHBondContact O-N 3.29Å; C13-V15 PolarHBondContact O-N 3.49Å; C13-F16 PolarHBondContact O-N 2.62Å; C13-F17 HydrophobicContact CB-CD2 4.37Å; C13-F17 HydrophobicContact CB-CE2 4.47Å; C13-F17 VanDerWaalsContact O-CD2 3.23Å; C13-F17 WeakPolarHBondContact O-CD2 3.47Å; C13-F17 PolarHBondContact O-N 3.09Å; C13-I187 HydrophobicContact CB-CD1 3.89Å
14I96.6Very high94.2Very high5 Ų557.8 Ų57.83%0.02630%0.295CS..Hα-helixtrans-58.2-47.7175.3-67.8168000110.3L10 F11 F16 T18 V112 I131 I187L10-I14 WeakPolarHBondContact O-CG1 3.4Å; L10-I14 PolarHBondContact O-N 3.35Å; F11-I14 PolarHBondContact O-N 3.33Å; I14-F16 PolarHBondContact O-N 3.02Å; I14-T18 WeakPolarHBondContact O-CB 3.28Å; I14-T18 PolarHBondContact O-N 3.43Å; I14-T18 PolarHBondContact O-OG1 3.32Å; I14-V112 HydrophobicContact CG2-CG2 4.33Å; I14-I131 HydrophobicContact CG2-CG2 4.4Å; I14-I187 HydrophobicContact CD1-CG2 4.12Å; I14-I187 HydrophobicContact CG1-CB 4.27Å; I14-I187 HydrophobicContact CG1-CG2 3.64Å
15V97.7Very high95.1Very high41 Ų4154.5 Ų54.525%0.24828%0.277CS..Hα-helixtrans-58.5-48.9177.4174.20000111.2F11 S12 C13 A19 V112 V116F11-V15 HydrophobicContact CD1-CG2 4.1Å; F11-V15 HydrophobicContact CE1-CG2 3.58Å; F11-V15 HydrophobicContact CE2-CG2 4.21Å; F11-V15 HydrophobicContact CZ-CG2 3.64Å; F11-V15 WeakPolarHBondContact O-CG2 3.45Å; F11-V15 PolarHBondContact O-N 3.33Å; S12-V15 PolarHBondContact O-N 2.99Å; C13-V15 PolarHBondContact O-N 3.49Å; V15-A19 VanDerWaalsContact O-CB 3.31Å; V15-A19 WeakPolarHBondContact O-CB 3.12Å; V15-A19 PolarHBondContact O-N 3.4Å; V15-V112 HydrophobicContact CB-CG1 4.33Å; V15-V112 HydrophobicContact CG2-CG1 3.76Å; V15-V116 HydrophobicContact CG1-CG2 4.14Å; V15-V116 HydrophobicContact CG2-CG2 3.58Å
16F98.1Very high95.8Very high121 Ų12154.5 Ų54.553%0.53127%0.27SS..Hα-helixtrans-60.1-54.3-179.8175.6-98000112.5S12 C13 I14 T18 A19 F20S12-F16 PolarHBondContact O-N 2.93Å; C13-F16 PolarHBondContact O-N 2.62Å; I14-F16 PolarHBondContact O-N 3.02Å; F16-T18 PolarHBondContact O-N 3.07Å; F16-A19 PolarHBondContact O-N 2.88Å; F16-F20 VanDerWaalsContact O-CB 3.31Å; F16-F20 WeakPolarHBondContact O-CB 2.9Å; F16-F20 PolarHBondContact O-N 3.34Å
17F98.3Very high96.3Very high44 Ų4454.8 Ų54.819%0.19327%0.273CS..Hα-helixtrans-68.8-32.9-177.8-74-65000112.6C13 G21 C180 I183 I187C13-F17 HydrophobicContact CB-CD2 4.37Å; C13-F17 HydrophobicContact CB-CE2 4.47Å; C13-F17 VanDerWaalsContact O-CD2 3.23Å; C13-F17 WeakPolarHBondContact O-CD2 3.47Å; C13-F17 PolarHBondContact O-N 3.09Å; F17-G21 WeakPolarHBondContact O-CA 3.46Å; F17-G21 PolarHBondContact O-N 3.34Å; F17-C180 HydrophobicContact CD1-CB 4.1Å; F17-I183 HydrophobicContact CD1-CB 4.31Å; F17-I183 HydrophobicContact CD1-CG2 4.08Å; F17-I183 HydrophobicContact CD2-CG2 3.63Å; F17-I183 HydrophobicContact CE1-CB 4.42Å; F17-I183 HydrophobicContact CE1-CD1 4.06Å; F17-I183 HydrophobicContact CE1-CG2 4.01Å; F17-I183 HydrophobicContact CE2-CG2 3.56Å; F17-I183 HydrophobicContact CG-CB 4.41Å; F17-I183 HydrophobicContact CG-CG2 3.92Å; F17-I183 HydrophobicContact CZ-CD1 4.39Å; F17-I183 HydrophobicContact CZ-CG2 3.76Å; F17-I187 HydrophobicContact CD2-CD1 3.93Å; F17-I187 HydrophobicContact CE2-CD1 4.07Å
18T98.3Very high96.9Very high0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-62.7-52.8172.6-60.90000111I14 F16 F22 Q105 V108 M109 V112 H135I14-T18 WeakPolarHBondContact O-CB 3.28Å; I14-T18 PolarHBondContact O-N 3.43Å; I14-T18 PolarHBondContact O-OG1 3.32Å; F16-T18 PolarHBondContact O-N 3.07Å; T18-F22 WeakPolarHBondContact O-CB 3.41Å; T18-F22 PolarHBondContact O-N 3.46Å; T18-Q105 PolarHBondContact O-NE2 3.38Å; T18-V108 HydrophobicContact CG2-CG1 4.19Å; T18-M109 HydrophobicContact CG2-CB 4.36Å; T18-M109 HydrophobicContact CG2-SD 3.74Å; T18-V112 HydrophobicContact CG2-CB 4.31Å; T18-V112 HydrophobicContact CG2-CG1 4.42Å; T18-V112 HydrophobicContact CG2-CG2 4.17Å; T18-H135 PolarHBondContact OG1-CE1 3.03Å; T18-H135 VanDerWaalsContact OG1-CE1 3.28Å; T18-H135 PolarHBondContact OG1-NE2 3.39Å; T18-H135 VanDerWaalsContact OG1-NE2 3.16Å
19A98.3Very high97.3Very high29 Ų2947.1 Ų47.124%0.2424%0.237CC..Hα-helixtrans-66.9-47.5-175.400000111.8V15 F16 F22 C23 M109V15-A19 VanDerWaalsContact O-CB 3.31Å; V15-A19 WeakPolarHBondContact O-CB 3.12Å; V15-A19 PolarHBondContact O-N 3.4Å; F16-A19 PolarHBondContact O-N 2.88Å; A19-F22 PolarHBondContact O-N 2.87Å; A19-C23 PolarHBondContact O-N 3.14Å; A19-C23 PolarHBondContact O-SG 3.24Å; A19-C23 VanDerWaalsContact O-SG 3.35Å; A19-M109 HydrophobicContact CB-CE 3.75Å; A19-M109 HydrophobicContact CB-SD 4.2Å
20F98.3Very high97.5Very high90 Ų9042.2 Ų42.240%0.39523%0.227SC..Hα-helixtrans-69.4-38.8-179.1-170.6-97.8000112.2F16 S24 L176F16-F20 VanDerWaalsContact O-CB 3.31Å; F16-F20 WeakPolarHBondContact O-CB 2.9Å; F16-F20 PolarHBondContact O-N 3.34Å; F20-S24 WeakPolarHBondContact O-CB 3.28Å; F20-S24 PolarHBondContact O-N 2.94Å; F20-S24 PolarHBondContact O-OG 3.01Å; F20-L176 HydrophobicContact CE1-CD1 3.99Å; F20-L176 HydrophobicContact CE1-CD2 3.75Å; F20-L176 HydrophobicContact CE1-CG 3.8Å; F20-L176 HydrophobicContact CZ-CD2 3.88Å; F20-L176 HydrophobicContact CZ-CG 4.45Å
21G98.3Very high97.7Very high0 Ų040.9 Ų40.90%022%0.221CC..Hα-helixtrans-64.1-44.1171.700000112.3F17 S24 N25 S177F17-G21 WeakPolarHBondContact O-CA 3.46Å; F17-G21 PolarHBondContact O-N 3.34Å; G21-S24 PolarHBondContact O-N 3.47Å; G21-N25 WeakPolarHBondContact O-CB 3.49Å; G21-N25 PolarHBondContact O-N 3.14Å; G21-S177 PolarHBondContact O-OG 3.44Å; G21-S177 VanDerWaalsContact O-OG 3.08Å
22F98.4Very high97.8Very high33 Ų3341.1 Ų41.115%0.14522%0.224CC..Hα-helixtrans-59.9-51.1175.7165.2-101.3000112.4T18 A19 S24 N25 F26 Q105 F106 M109T18-F22 WeakPolarHBondContact O-CB 3.41Å; T18-F22 PolarHBondContact O-N 3.46Å; A19-F22 PolarHBondContact O-N 2.87Å; F22-S24 VanDerWaalsContact C-N 3.32Å; F22-S24 PolarHBondContact O-N 3.02Å; F22-N25 WeakPolarHBondContact O-CB 3.36Å; F22-N25 PolarHBondContact O-N 3.31Å; F22-F26 PolarHBondContact O-N 2.99Å; F22-Q105 HydrophobicContact CB-CG 4.06Å; F22-Q105 HydrophobicContact CD2-CG 4.06Å; F22-F106 AromaticContact CE2-CD1 3.6Å; F22-F106 HydrophobicContact CE2-CD1 3.6Å; F22-F106 AromaticContact CE2-CD2 3.93Å; F22-F106 HydrophobicContact CE2-CD2 3.93Å; F22-F106 AromaticContact CE2-CE1 3.59Å; F22-F106 HydrophobicContact CE2-CE1 3.59Å; F22-F106 AromaticContact CE2-CE2 3.9Å; F22-F106 HydrophobicContact CE2-CE2 3.9Å; F22-F106 AromaticContact CE2-CG 3.77Å; F22-F106 HydrophobicContact CE2-CG 3.77Å; F22-F106 AromaticContact CE2-CZ 3.73Å; F22-F106 HydrophobicContact CE2-CZ 3.73Å; F22-F106 AromaticContact CZ-CD1 3.79Å; F22-F106 HydrophobicContact CZ-CD1 3.79Å; F22-F106 AromaticContact CZ-CE1 3.41Å; F22-F106 HydrophobicContact CZ-CE1 3.41Å; F22-F106 VanDerWaalsContact CZ-CE1 3.41Å; F22-F106 HydrophobicContact CZ-CE2 4.35Å; F22-F106 HydrophobicContact CZ-CG 4.42Å; F22-F106 AromaticContact CZ-CZ 3.72Å; F22-F106 HydrophobicContact CZ-CZ 3.72Å; F22-M109 HydrophobicContact CD1-CG 4.19Å; F22-M109 HydrophobicContact CD2-CB 4.47Å; F22-M109 HydrophobicContact CG-CB 4.38Å; F22-M109 HydrophobicContact CG-CG 4.25Å
23C98.4Very high97.9Very high63 Ų6340.4 Ų40.443%0.42621%0.21SC..Hα-helixtrans-60.2-42.8177.9-69.40000111.6A19 F26 I27A19-C23 PolarHBondContact O-N 3.14Å; A19-C23 PolarHBondContact O-SG 3.24Å; A19-C23 VanDerWaalsContact O-SG 3.35Å; C23-F26 PolarHBondContact O-N 3.34Å; C23-I27 WeakPolarHBondContact O-CB 3.42Å; C23-I27 WeakPolarHBondContact O-CD1 3.16Å; C23-I27 VanDerWaalsContact O-CG1 3.23Å; C23-I27 WeakPolarHBondContact O-CG1 3.37Å; C23-I27 PolarHBondContact O-N 3.17Å
24S98.3Very high97.9Very high3 Ų338.1 Ų38.12%0.02120%0.195CC..Hα-helixtrans-64.5-40.5176.9-56.20000112.3F20 G21 F22 S28F20-S24 WeakPolarHBondContact O-CB 3.28Å; F20-S24 PolarHBondContact O-N 2.94Å; F20-S24 PolarHBondContact O-OG 3.01Å; G21-S24 PolarHBondContact O-N 3.47Å; F22-S24 VanDerWaalsContact C-N 3.32Å; F22-S24 PolarHBondContact O-N 3.02Å; S24-S28 VanDerWaalsContact O-CB 3.28Å; S24-S28 WeakPolarHBondContact O-CB 3.43Å; S24-S28 PolarHBondContact O-N 3.01Å
25N98.4Very high97.9Very high8 Ų837.9 Ų37.94%0.04319%0.193CC..Hα-helixtrans-60.2-51.7174.9-165.20.6000110.8G21 F22 I27 S28 F29 S177G21-N25 WeakPolarHBondContact O-CB 3.49Å; G21-N25 PolarHBondContact O-N 3.14Å; F22-N25 WeakPolarHBondContact O-CB 3.36Å; F22-N25 PolarHBondContact O-N 3.31Å; N25-I27 PolarHBondContact O-N 3.35Å; N25-S28 PolarHBondContact O-N 3.41Å; N25-S28 VanDerWaalsContact O-N 3.17Å; N25-F29 VanDerWaalsContact O-CB 3.28Å; N25-F29 WeakPolarHBondContact O-CB 3.29Å; N25-F29 PolarHBondContact O-N 3.08Å; N25-S177 WeakPolarHBondContact CA-OG 3.32Å; N25-S177 VanDerWaalsContact CB-OG 3.27Å; N25-S177 WeakPolarHBondContact CB-OG 3.45Å; N25-S177 PolarHBondContact N-OG 2.91Å
26F98.2Very high97.9Very high93 Ų9338.1 Ų38.141%0.40819%0.192SC..Hα-helixtrans-62.6-45.5-177.1-175.2-100.9000112F22 C23 S28 F29 V30 F106F22-F26 PolarHBondContact O-N 2.99Å; C23-F26 PolarHBondContact O-N 3.34Å; F26-S28 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 2.88Å; F26-F29 PolarHBondContact O-N 2.96Å; F26-V30 HydrophobicContact CD2-CG1 4.48Å; F26-V30 HydrophobicContact CE1-CG1 4.36Å; F26-V30 HydrophobicContact CE2-CG1 4.06Å; F26-V30 HydrophobicContact CZ-CG1 4Å; F26-V30 WeakPolarHBondContact O-CG2 3.47Å; F26-V30 PolarHBondContact O-N 2.84Å; F26-V30 VanDerWaalsContact O-N 3.15Å; F26-F106 HydrophobicContact CD2-CE2 4.09Å; F26-F106 AromaticContact CD2-CZ 4Å; F26-F106 HydrophobicContact CD2-CZ 4Å; F26-F106 HydrophobicContact CE2-CE2 4.38Å; F26-F106 HydrophobicContact CE2-CZ 4.11Å
27I98Very high97.8Very high67 Ų6732.6 Ų32.634%0.34417%0.168SC..Hα-helixtrans-57-45.9173.6-72.4167.4000110.7C23 N25 S31 W169 F173C23-I27 WeakPolarHBondContact O-CB 3.42Å; C23-I27 WeakPolarHBondContact O-CD1 3.16Å; C23-I27 VanDerWaalsContact O-CG1 3.23Å; C23-I27 WeakPolarHBondContact O-CG1 3.37Å; C23-I27 PolarHBondContact O-N 3.17Å; N25-I27 PolarHBondContact O-N 3.35Å; I27-S31 WeakPolarHBondContact O-CB 3.43Å; I27-S31 PolarHBondContact O-N 3.33Å; I27-W169 HydrophobicContact CG2-CH2 4.47Å; I27-W169 HydrophobicContact CG2-CZ3 3.73Å; I27-F173 HydrophobicContact CB-CD1 4.43Å; I27-F173 HydrophobicContact CD1-CE1 4.24Å; I27-F173 HydrophobicContact CG2-CB 4.46Å; I27-F173 HydrophobicContact CG2-CD1 4.01Å; I27-F173 HydrophobicContact CG2-CD2 4.47Å; I27-F173 HydrophobicContact CG2-CE1 4.34Å; I27-F173 HydrophobicContact CG2-CG 4.07Å
28S97.8Very high97.6Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-64.7-46.7179.3-171.30000112S24 N25 F26 V30 S31 W34 S170 G174S24-S28 VanDerWaalsContact O-CB 3.28Å; S24-S28 WeakPolarHBondContact O-CB 3.43Å; S24-S28 PolarHBondContact O-N 3.01Å; N25-S28 PolarHBondContact O-N 3.41Å; N25-S28 VanDerWaalsContact O-N 3.17Å; F26-S28 VanDerWaalsContact C-N 3.32Å; F26-S28 PolarHBondContact O-N 2.88Å; S28-V30 PolarHBondContact O-N 3.22Å; S28-S31 PolarHBondContact O-N 2.97Å; S28-W34 PolarHBondContact O-NE1 2.9Å; S28-W34 WeakPolarHBondContact OG-CZ2 3.49Å; S28-S170 VanDerWaalsContact CA-OG 3.29Å; S28-S170 WeakPolarHBondContact CA-OG 3.43Å; S28-S170 WeakPolarHBondContact CB-O 3.4Å; S28-S170 PolarHBondContact O-OG 2.83Å; S28-S170 PolarHBondContact OG-O 3.29Å; S28-G174 WeakPolarHBondContact OG-CA 3.43Å; S28-G174 PolarHBondContact OG-N 2.59Å
29F98Very high97.2Very high29 Ų2936.8 Ų36.813%0.12720%0.199CC..Hα-helixtrans-60.4-42.8-177.2179.1-102.1000113.2N25 F26 L50 W51 V102N25-F29 VanDerWaalsContact O-CB 3.28Å; N25-F29 WeakPolarHBondContact O-CB 3.29Å; N25-F29 PolarHBondContact O-N 3.08Å; F26-F29 PolarHBondContact O-N 2.96Å; F29-L50 HydrophobicContact CD2-CD2 3.7Å; F29-L50 HydrophobicContact CE2-CD2 4.05Å; F29-W51 AromaticContact CD1-NE1 3.85Å; F29-W51 AromaticContact CD2-NE1 3.82Å; F29-W51 AromaticContact CE1-NE1 3.39Å; F29-W51 AromaticContact CE2-CE2 3.92Å; F29-W51 AromaticContact CE2-CZ2 3.86Å; F29-W51 HydrophobicContact CE2-CZ2 3.86Å; F29-W51 AromaticContact CE2-NE1 3.36Å; F29-W51 AromaticContact CZ-CE2 3.64Å; F29-W51 AromaticContact CZ-CZ2 3.58Å; F29-W51 HydrophobicContact CZ-CZ2 3.58Å; F29-W51 AromaticContact CZ-NE1 3.14Å; F29-W51 VanDerWaalsContact O-CD1 3.26Å; F29-V102 HydrophobicContact CB-CG2 4.09Å; F29-V102 HydrophobicContact CD1-CG2 4.34Å; F29-V102 HydrophobicContact CD2-CG2 3.73Å; F29-V102 HydrophobicContact CE2-CG2 4.17Å; F29-V102 HydrophobicContact CG-CG2 3.82Å
30V97.4Very high96.8Very high76 Ų7642.4 Ų42.446%0.46122%0.22SC..Hα-helixtrans-85.5-17.8-178.1-54.20000114.1F26 S28F26-V30 HydrophobicContact CD2-CG1 4.48Å; F26-V30 HydrophobicContact CE1-CG1 4.36Å; F26-V30 HydrophobicContact CE2-CG1 4.06Å; F26-V30 HydrophobicContact CZ-CG1 4Å; F26-V30 WeakPolarHBondContact O-CG2 3.47Å; F26-V30 PolarHBondContact O-N 2.84Å; F26-V30 VanDerWaalsContact O-N 3.15Å; S28-V30 PolarHBondContact O-N 3.22Å
31S97.2Very high96.3Very high7 Ų739.7 Ų39.75%0.04921%0.214CC..  trans-84.2132.8-168.7169.40000113.5I27 S28 Y33 W169 S170I27-S31 WeakPolarHBondContact O-CB 3.43Å; I27-S31 PolarHBondContact O-N 3.33Å; S28-S31 PolarHBondContact O-N 2.97Å; S31-Y33 PolarHBondContact O-N 2.93Å; S31-Y33 VanDerWaalsContact O-N 3.08Å; S31-Y33 WeakPolarHBondContact OG-CD2 3.4Å; S31-Y33 PolarHBondContact OG-N 3.44Å; S31-W169 WeakPolarHBondContact OG-CH2 3.05Å; S31-W169 WeakPolarHBondContact OG-CZ2 3.3Å; S31-S170 WeakPolarHBondContact CB-OG 3.32Å
32P97Very high95.7Very high28 Ų2846.5 Ų46.518%0.18225%0.251CS..SBendtrans-77.818.5179.733.6-37000114.5R47 I48 T52P32-R47 VanDerWaalsContact O-CB 3.32Å; P32-R47 WeakPolarHBondContact O-CB 3.3Å; P32-R47 WeakPolarHBondContact O-CG 3.48Å; P32-I48 CarbonylContact C-O 3.28Å; P32-I48 CarbonylContact O-C 3.58Å; P32-I48 PolarHBondContact O-N 2.84Å; P32-T52 HydrophobicContact CB-CG2 3.94Å
33Y97.6Very high95.3Very high60 Ų6045.5 Ų45.524%0.23525%0.248CC..  trans-116.242.8-172.3-64.5-101.8000112.9S31 R47 S168 W169 S170S31-Y33 PolarHBondContact O-N 2.93Å; S31-Y33 VanDerWaalsContact O-N 3.08Å; S31-Y33 WeakPolarHBondContact OG-CD2 3.4Å; S31-Y33 PolarHBondContact OG-N 3.44Å; Y33-R47 VanDerWaalsContact CE1-CD 3.43Å; Y33-R47 PolarHBondContact OH-NH1 3.43Å; Y33-S168 CarbonylContact O-C 3.4Å; Y33-S168 VanDerWaalsContact O-C 3.28Å; Y33-S168 VanDerWaalsContact O-CB 3.3Å; Y33-S168 WeakPolarHBondContact O-CB 3.38Å; Y33-W169 AromaticContact CD1-CD1 3.92Å; Y33-W169 AromaticContact CD1-NE1 3.26Å; Y33-W169 VanDerWaalsContact CD1-NE1 3.26Å; Y33-W169 AromaticContact CD2-CE2 3.68Å; Y33-W169 HydrophobicContact CD2-CH2 4.49Å; Y33-W169 AromaticContact CD2-CZ2 3.42Å; Y33-W169 HydrophobicContact CD2-CZ2 3.42Å; Y33-W169 VanDerWaalsContact CD2-CZ2 3.42Å; Y33-W169 AromaticContact CD2-NE1 3.57Å; Y33-W169 AromaticContact CE1-NE1 3.78Å; Y33-W169 AromaticContact CE2-CZ2 3.87Å; Y33-W169 HydrophobicContact CE2-CZ2 3.87Å; Y33-W169 AromaticContact CG-CD1 3.97Å; Y33-W169 AromaticContact CG-CE2 3.62Å; Y33-W169 AromaticContact CG-CZ2 3.89Å; Y33-W169 HydrophobicContact CG-CZ2 3.89Å; Y33-W169 AromaticContact CG-NE1 3.13Å; Y33-S170 WeakPolarHBondContact O-CB 3.5Å; Y33-S170 PolarHBondContact O-N 2.9Å
34W97.9Very high95.1Very high4 Ų446.5 Ų46.52%0.01525%0.246CC..SBendtrans-77.1-49.5171.5-7961.7000110.5S28 I48 L50 A145 L146 F149 L167 S168 S170 Y171S28-W34 PolarHBondContact O-NE1 2.9Å; S28-W34 WeakPolarHBondContact OG-CZ2 3.49Å; W34-I48 WeakPolarHBondContact CA-O 3.3Å; W34-I48 WeakPolarHBondContact CB-O 3.49Å; W34-I48 PolarHBondContact N-O 3.48Å; W34-L50 HydrophobicContact CD2-CD1 3.77Å; W34-L50 HydrophobicContact CE3-CD1 4.25Å; W34-L50 HydrophobicContact CG-CD1 4.32Å; W34-L50 HydrophobicContact CH2-CD1 3.97Å; W34-L50 HydrophobicContact CZ2-CD1 3.43Å; W34-L50 VanDerWaalsContact CZ2-CD1 3.43Å; W34-L50 HydrophobicContact CZ3-CD1 4.34Å; W34-A145 HydrophobicContact CH2-CB 3.83Å; W34-A145 HydrophobicContact CZ3-CB 4.13Å; W34-L146 HydrophobicContact CH2-CD2 4.43Å; W34-L146 HydrophobicContact CZ3-CD2 4.19Å; W34-F149 HydrophobicContact CB-CD1 3.8Å; W34-F149 HydrophobicContact CB-CE1 3.76Å; W34-F149 HydrophobicContact CB-CZ 4.45Å; W34-F149 HydrophobicContact CD2-CD1 4.38Å; W34-F149 HydrophobicContact CD2-CD2 4.29Å; W34-F149 HydrophobicContact CD2-CE1 4.43Å; W34-F149 HydrophobicContact CD2-CE2 4.34Å; W34-F149 HydrophobicContact CD2-CG 4.31Å; W34-F149 HydrophobicContact CD2-CZ 4.41Å; W34-F149 HydrophobicContact CE3-CB 3.81Å; W34-F149 AromaticContact CE3-CD1 3.9Å; W34-F149 HydrophobicContact CE3-CD1 3.9Å; W34-F149 AromaticContact CE3-CD2 3.45Å; W34-F149 HydrophobicContact CE3-CD2 3.45Å; W34-F149 VanDerWaalsContact CE3-CD2 3.45Å; W34-F149 HydrophobicContact CE3-CE1 4.32Å; W34-F149 AromaticContact CE3-CE2 3.92Å; W34-F149 HydrophobicContact CE3-CE2 3.92Å; W34-F149 AromaticContact CE3-CG 3.44Å; W34-F149 HydrophobicContact CE3-CG 3.44Å; W34-F149 VanDerWaalsContact CE3-CG 3.44Å; W34-F149 HydrophobicContact CE3-CZ 4.32Å; W34-F149 HydrophobicContact CG-CD1 4.39Å; W34-F149 HydrophobicContact CG-CE1 4.23Å; W34-F149 HydrophobicContact CG-CZ 4.46Å; W34-F149 HydrophobicContact CZ3-CB 4.22Å; W34-F149 AromaticContact CZ3-CD2 3.71Å; W34-F149 HydrophobicContact CZ3-CD2 3.71Å; W34-F149 HydrophobicContact CZ3-CE2 4.28Å; W34-F149 HydrophobicContact CZ3-CG 4.04Å; W34-L167 WeakPolarHBondContact O-CA 3.42Å; W34-S168 PolarHBondContact O-N 3.03Å; W34-S170 VanDerWaalsContact CD1-OG 3.32Å; W34-S170 PolarHBondContact NE1-OG 3.42Å; W34-Y171 AromaticContact CE3-CD2 3.85Å; W34-Y171 HydrophobicContact CE3-CD2 3.85Å; W34-Y171 HydrophobicContact CZ3-CD2 4.14Å
35I97Very high94.9Very high0 Ų046.6 Ų46.60%025%0.246CC..EExtended strand (participates in β ladder)trans-120.4139.7169.7-61.7164.7000107.9F45 R47 I48 F149 R153 W158 M159 N165 T166 L167I35-F45 HydrophobicContact CG2-CE1 4.3Å; I35-R47 CarbonylContact O-C 3.58Å; I35-R47 WeakPolarHBondContact O-CA 3.4Å; I35-R47 WeakPolarHBondContact O-CB 3.25Å; I35-I48 HydrophobicContact CB-CG2 4.01Å; I35-I48 PolarHBondContact N-O 2.97Å; I35-I48 VanDerWaalsContact N-O 3.1Å; I35-I48 PolarHBondContact O-N 3.42Å; I35-F149 HydrophobicContact CD1-CD1 3.8Å; I35-F149 HydrophobicContact CD1-CE1 4.46Å; I35-F149 HydrophobicContact CG1-CD1 4.12Å; I35-R153 HydrophobicContact CD1-CB 3.71Å; I35-R153 HydrophobicContact CG1-CB 4.24Å; I35-W158 HydrophobicContact CD1-CH2 4.12Å; I35-W158 HydrophobicContact CD1-CZ3 3.86Å; I35-M159 HydrophobicContact CB-CE 4.4Å; I35-M159 HydrophobicContact CD1-CE 3.78Å; I35-M159 HydrophobicContact CG2-CE 4Å; I35-M159 HydrophobicContact CG2-SD 4.09Å; I35-N165 HydrophobicContact CG2-CB 3.84Å; I35-T166 VanDerWaalsContact CA-O 3.31Å; I35-T166 WeakPolarHBondContact CA-O 3.3Å; I35-L167 HydrophobicContact CG1-CD2 3.99Å
36Q96.3Very high94.8Very high46 Ų4648.9 Ų48.922%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-139.9144.4-180-176.9180-13.300109.7Q46 R47 N165 T166 S168Q36-Q46 WeakPolarHBondContact CA-O 3.44Å; Q36-Q46 WeakPolarHBondContact CG-O 3.21Å; Q36-R47 HydrophobicContact CB-CB 4.18Å; Q36-R47 HydrophobicContact CG-CB 4.2Å; Q36-N165 CarbonylContact O-C 3.56Å; Q36-N165 WeakPolarHBondContact O-CA 3.38Å; Q36-T166 PolarHBondContact N-O 2.61Å; Q36-T166 PolarHBondContact O-N 2.96Å; Q36-T166 PolarHBondContact O-OG1 3.48Å; Q36-S168 PolarHBondContact OE1-OG 3.34Å
37S95.5Very high94.7Very high5 Ų547.1 Ų47.14%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-72.3145.2170.760.30000111.4F45 Q46 L164S37-F45 VanDerWaalsContact CB-O 3.26Å; S37-F45 WeakPolarHBondContact CB-O 3.41Å; S37-F45 PolarHBondContact OG-O 3.15Å; S37-Q46 PolarHBondContact N-O 2.91Å; S37-Q46 PolarHBondContact OG-O 3.24Å; S37-L164 CarbonylContact C-O 3.6Å; S37-L164 WeakPolarHBondContact CA-O 3.39Å
38V94.3Very high94.6Very high39 Ų3944 Ų4424%0.23623%0.231CC..  trans-59.8132.6170-59.40000109.7E40 A41 L164 T166V38-E40 PolarHBondContact O-N 2.96Å; V38-E40 VanDerWaalsContact O-N 3.16Å; V38-A41 HydrophobicContact CG2-CB 3.66Å; V38-A41 WeakPolarHBondContact O-CB 3.39Å; V38-A41 PolarHBondContact O-N 3Å; V38-A41 VanDerWaalsContact O-N 3.14Å; V38-L164 PolarHBondContact N-O 3.38Å; V38-T166 HydrophobicContact CG1-CG2 3.72Å
39P89.7Confident94.6Very high92 Ų9244 Ų4460%0.59723%0.231SC*.G310 helixtrans-54.9-35-175.8-2835.4000113.9A41 N42P39-A41 PolarHBondContact O-N 2.96Å; P39-N42 PolarHBondContact O-N 3.46Å
40E89.9Confident94.6Very high148 Ų14842.7 Ų42.769%0.69223%0.225SC*.G310 helixtrans-67-22.7-175.7-58.270-150.800112.5V38 N42V38-E40 PolarHBondContact O-N 2.96Å; V38-E40 VanDerWaalsContact O-N 3.16Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.38Å; E40-N42 PolarHBondContact O-ND2 2.93Å
41A87.7Confident94.6Very high33 Ų3341.2 Ų41.227%0.27321%0.212SC..G310 helixtrans-73.1-19.5-177.500000114.1V38 P39 S43 L164V38-A41 HydrophobicContact CG2-CB 3.66Å; V38-A41 WeakPolarHBondContact O-CB 3.39Å; V38-A41 PolarHBondContact O-N 3Å; V38-A41 VanDerWaalsContact O-N 3.14Å; P39-A41 PolarHBondContact O-N 2.96Å; A41-S43 PolarHBondContact O-N 3.36Å; A41-S43 VanDerWaalsContact O-N 3.17Å; A41-L164 HydrophobicContact CB-CB 4.18Å; A41-L164 HydrophobicContact CB-CD1 4.03Å; A41-L164 HydrophobicContact CB-CD2 4.38Å; A41-L164 HydrophobicContact CB-CG 4.42Å
42N87Confident94.6Very high143 Ų14342.5 Ų42.577%0.76522%0.22SC*.  trans4740.6-168.8-64.6-82.3000112.3P39 E40P39-N42 PolarHBondContact O-N 3.46Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.38Å; E40-N42 PolarHBondContact O-ND2 2.93Å
43S90.2Very high94.6Very high11 Ų1141.2 Ų41.28%0.07721%0.211CC..  trans-68.5138.6-171.5167.70000112.2A41 F45 Q46A41-S43 PolarHBondContact O-N 3.36Å; A41-S43 VanDerWaalsContact O-N 3.17Å; S43-F45 VanDerWaalsContact CB-O 3.25Å; S43-F45 WeakPolarHBondContact CB-O 3.39Å; S43-F45 PolarHBondContact O-N 2.93Å; S43-F45 PolarHBondContact OG-N 3.49Å; S43-F45 PolarHBondContact OG-O 3.47Å; S43-Q46 PolarHBondContact O-NE2 2.8Å
44Q92.9Very high94.6Very high84 Ų8438.5 Ų38.539%0.39320%0.201SC..SBendtrans-62.8-30.2173.5-74.3-175.1-9.400113.5F55 D56 G57 Y58Q44-F55 CarbonylContact O-C 3.55Å; Q44-F55 WeakPolarHBondContact O-CA 3.28Å; Q44-D56 VanDerWaalsContact CA-O 3.26Å; Q44-D56 WeakPolarHBondContact CA-O 3.47Å; Q44-D56 PolarHBondContact O-N 3.14Å; Q44-G57 PolarHBondContact NE2-O 2.88Å; Q44-Y58 HydrophobicContact CB-CD2 3.94Å; Q44-Y58 HydrophobicContact CB-CG 4.5Å
45F94.7Very high94.5Very high5 Ų538.5 Ų38.52%0.02220%0.201CC..EExtended strand (participates in β ladder)trans-88.9126.6165.9168.1-90.2000108.7I35 S37 S43 I48 V53 F55 M159 P160 N165I35-F45 HydrophobicContact CG2-CE1 4.3Å; S37-F45 VanDerWaalsContact CB-O 3.26Å; S37-F45 WeakPolarHBondContact CB-O 3.41Å; S37-F45 PolarHBondContact OG-O 3.15Å; S43-F45 VanDerWaalsContact CB-O 3.25Å; S43-F45 WeakPolarHBondContact CB-O 3.39Å; S43-F45 PolarHBondContact O-N 2.93Å; S43-F45 PolarHBondContact OG-N 3.49Å; S43-F45 PolarHBondContact OG-O 3.47Å; F45-I48 HydrophobicContact CE2-CB 3.93Å; F45-I48 HydrophobicContact CE2-CG2 4.16Å; F45-I48 HydrophobicContact CZ-CB 3.88Å; F45-I48 HydrophobicContact CZ-CG2 3.74Å; F45-V53 HydrophobicContact CD2-CG2 4.36Å; F45-V53 HydrophobicContact CE2-CG2 3.97Å; F45-F55 HydrophobicContact CB-CD1 4.41Å; F45-F55 HydrophobicContact CB-CE1 4.44Å; F45-F55 HydrophobicContact CD2-CD1 4.33Å; F45-F55 AromaticContact CD2-CE1 3.89Å; F45-F55 HydrophobicContact CD2-CE1 3.89Å; F45-M159 HydrophobicContact CD1-SD 4.11Å; F45-M159 HydrophobicContact CE1-CE 4.46Å; F45-M159 HydrophobicContact CE1-SD 3.69Å; F45-M159 HydrophobicContact CE2-SD 4.35Å; F45-M159 HydrophobicContact CZ-CE 4.05Å; F45-M159 HydrophobicContact CZ-SD 3.82Å; F45-P160 HydrophobicContact CB-CG 3.64Å; F45-P160 HydrophobicContact CD2-CG 4.38Å; F45-P160 HydrophobicContact CG-CG 4Å; F45-N165 WeakPolarHBondContact CD1-OD1 3.41Å; F45-N165 WeakPolarHBondContact CE1-OD1 3.45Å
46Q96Very high94.5Very high57 Ų5743 Ų4327%0.26623%0.225SC..EExtended strand (participates in β ladder)trans-104-50.8-173.9-71.1-78.6-44.200112.4Q36 S37 S43 C54 D56Q36-Q46 WeakPolarHBondContact CA-O 3.44Å; Q36-Q46 WeakPolarHBondContact CG-O 3.21Å; S37-Q46 PolarHBondContact N-O 2.91Å; S37-Q46 PolarHBondContact OG-O 3.24Å; S43-Q46 PolarHBondContact O-NE2 2.8Å; Q46-C54 HydrophobicContact CB-CB 4.02Å; Q46-C54 WeakPolarHBondContact CB-O 3.37Å; Q46-C54 PolarHBondContact N-O 3.45Å; Q46-D56 HydrophobicContact CG-CB 3.97Å
47R96.1Very high94.3Very high55 Ų5541.5 Ų41.521%0.20822%0.222CC..EExtended strand (participates in β ladder)trans-168.9159179.256.3-179.2165-106.2-5.6112.8P32 Y33 I35 Q36 V53 C54P32-R47 VanDerWaalsContact O-CB 3.32Å; P32-R47 WeakPolarHBondContact O-CB 3.3Å; P32-R47 WeakPolarHBondContact O-CG 3.48Å; Y33-R47 VanDerWaalsContact CE1-CD 3.43Å; Y33-R47 PolarHBondContact OH-NH1 3.43Å; I35-R47 CarbonylContact O-C 3.58Å; I35-R47 WeakPolarHBondContact O-CA 3.4Å; I35-R47 WeakPolarHBondContact O-CB 3.25Å; Q36-R47 HydrophobicContact CB-CB 4.18Å; Q36-R47 HydrophobicContact CG-CB 4.2Å; R47-V53 WeakPolarHBondContact O-CA 3.39Å; R47-C54 HydrophobicContact CG-CB 3.71Å; R47-C54 VanDerWaalsContact CG-SG 3.58Å; R47-C54 PolarHBondContact N-O 3.45Å; R47-C54 PolarHBondContact NE-SG 2.96Å; R47-C54 VanDerWaalsContact NE-SG 3.35Å; R47-C54 PolarHBondContact O-N 2.97Å
48I97.4Very high94.3Very high2 Ų241.7 Ų41.71%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-143.6145.3173.8-164161.1000111.5P32 W34 I35 F45 V53 I74 L86 W158 M159P32-I48 CarbonylContact C-O 3.28Å; P32-I48 CarbonylContact O-C 3.58Å; P32-I48 PolarHBondContact O-N 2.84Å; W34-I48 WeakPolarHBondContact CA-O 3.3Å; W34-I48 WeakPolarHBondContact CB-O 3.49Å; W34-I48 PolarHBondContact N-O 3.48Å; I35-I48 HydrophobicContact CB-CG2 4.01Å; I35-I48 PolarHBondContact N-O 2.97Å; I35-I48 VanDerWaalsContact N-O 3.1Å; I35-I48 PolarHBondContact O-N 3.42Å; F45-I48 HydrophobicContact CE2-CB 3.93Å; F45-I48 HydrophobicContact CE2-CG2 4.16Å; F45-I48 HydrophobicContact CZ-CB 3.88Å; F45-I48 HydrophobicContact CZ-CG2 3.74Å; I48-V53 HydrophobicContact CB-CB 4.4Å; I48-V53 HydrophobicContact CB-CG2 4.13Å; I48-V53 HydrophobicContact CD1-CB 3.96Å; I48-V53 HydrophobicContact CD1-CG2 3.91Å; I48-V53 HydrophobicContact CG1-CB 3.92Å; I48-V53 HydrophobicContact CG1-CG2 4.07Å; I48-I74 HydrophobicContact CD1-CD1 4.39Å; I48-I74 HydrophobicContact CG1-CD1 4.5Å; I48-L86 HydrophobicContact CD1-CD1 3.85Å; I48-W158 HydrophobicContact CD1-CZ2 3.99Å; I48-W158 HydrophobicContact CG2-CH2 4.26Å; I48-M159 HydrophobicContact CG2-CE 4.28Å
49G97.5Very high94.2Very high0 Ų043.7 Ų43.70%023%0.23CC..  trans-122.6-163.1164.400000111W51 T52G49-W51 VanDerWaalsContact C-N 3.27Å; G49-W51 PolarHBondContact O-N 3.11Å; G49-T52 PolarHBondContact N-O 3.29Å
50L97Very high94.2Very high1 Ų142.3 Ų42.31%0.00521%0.213CC..SBendtrans-60.5-36.6178.7-90.865000112.9F29 W34 I94 Q95 F149F29-L50 HydrophobicContact CD2-CD2 3.7Å; F29-L50 HydrophobicContact CE2-CD2 4.05Å; W34-L50 HydrophobicContact CD2-CD1 3.77Å; W34-L50 HydrophobicContact CE3-CD1 4.25Å; W34-L50 HydrophobicContact CG-CD1 4.32Å; W34-L50 HydrophobicContact CH2-CD1 3.97Å; W34-L50 HydrophobicContact CZ2-CD1 3.43Å; W34-L50 VanDerWaalsContact CZ2-CD1 3.43Å; W34-L50 HydrophobicContact CZ3-CD1 4.34Å; L50-I94 HydrophobicContact CG-CG2 4.48Å; L50-Q95 WeakPolarHBondContact O-CG 3.43Å; L50-Q95 PolarHBondContact O-NE2 3.01Å; L50-F149 HydrophobicContact CD1-CE2 3.66Å; L50-F149 HydrophobicContact CD1-CZ 3.92Å; L50-F149 HydrophobicContact CG-CE2 4.37Å
51W97.8Very high94.1Very high45 Ų4539.2 Ų39.217%0.1721%0.205CC..SBendtrans-118.6-21.5-166.7-60.8112.8000115.4F29 G49 Y73 I74 Y75 Q95 S99F29-W51 AromaticContact CD1-NE1 3.85Å; F29-W51 AromaticContact CD2-NE1 3.82Å; F29-W51 AromaticContact CE1-NE1 3.39Å; F29-W51 AromaticContact CE2-CE2 3.92Å; F29-W51 AromaticContact CE2-CZ2 3.86Å; F29-W51 HydrophobicContact CE2-CZ2 3.86Å; F29-W51 AromaticContact CE2-NE1 3.36Å; F29-W51 AromaticContact CZ-CE2 3.64Å; F29-W51 AromaticContact CZ-CZ2 3.58Å; F29-W51 HydrophobicContact CZ-CZ2 3.58Å; F29-W51 AromaticContact CZ-NE1 3.14Å; F29-W51 VanDerWaalsContact O-CD1 3.26Å; G49-W51 VanDerWaalsContact C-N 3.27Å; G49-W51 PolarHBondContact O-N 3.11Å; W51-Y73 HydrophobicContact CB-CD2 4.06Å; W51-Y73 HydrophobicContact CB-CE2 3.95Å; W51-Y73 HydrophobicContact CD2-CE2 4.3Å; W51-Y73 AromaticContact CE3-CE2 3.74Å; W51-Y73 HydrophobicContact CE3-CE2 3.74Å; W51-Y73 HydrophobicContact CG-CE2 4.43Å; W51-Y73 CarbonylContact O-C 3.14Å; W51-Y73 WeakPolarHBondContact O-CA 3.48Å; W51-Y73 WeakPolarHBondContact O-CD2 3.31Å; W51-I74 WeakPolarHBondContact O-CG1 3.44Å; W51-I74 PolarHBondContact O-N 2.83Å; W51-Y75 HydrophobicContact CE3-CE2 4.49Å; W51-Y75 HydrophobicContact CZ3-CE2 4.31Å; W51-Q95 HydrophobicContact CD2-CG 4.43Å; W51-Q95 HydrophobicContact CE3-CG 4.03Å; W51-Q95 HydrophobicContact CH2-CB 3.6Å; W51-Q95 HydrophobicContact CH2-CG 3.91Å; W51-Q95 HydrophobicContact CZ2-CB 4.08Å; W51-Q95 HydrophobicContact CZ2-CG 4.26Å; W51-Q95 HydrophobicContact CZ3-CB 3.88Å; W51-Q95 HydrophobicContact CZ3-CG 3.77Å; W51-S99 VanDerWaalsContact CZ2-OG 3.3Å; W51-S99 WeakPolarHBondContact CZ2-OG 3.47Å
52T97.8Very high94Very high35 Ų3540.6 Ų40.622%0.21522%0.222CC..EExtended strand (participates in β ladder)trans-134.5134-168.7-64.30000109.4P32 G49 C71 Y72P32-T52 HydrophobicContact CB-CG2 3.94Å; G49-T52 PolarHBondContact N-O 3.29Å; T52-C71 HydrophobicContact CG2-CB 4.3Å; T52-Y72 WeakPolarHBondContact CA-O 3.23Å
53V97.1Very high94Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-118.1150.6172.964.30000109.3F45 R47 I48 F55 C71 Y72 I74 Y79 L86F45-V53 HydrophobicContact CD2-CG2 4.36Å; F45-V53 HydrophobicContact CE2-CG2 3.97Å; R47-V53 WeakPolarHBondContact O-CA 3.39Å; I48-V53 HydrophobicContact CB-CB 4.4Å; I48-V53 HydrophobicContact CB-CG2 4.13Å; I48-V53 HydrophobicContact CD1-CB 3.96Å; I48-V53 HydrophobicContact CD1-CG2 3.91Å; I48-V53 HydrophobicContact CG1-CB 3.92Å; I48-V53 HydrophobicContact CG1-CG2 4.07Å; V53-F55 HydrophobicContact CB-CE2 4.32Å; V53-F55 HydrophobicContact CG1-CD2 4.19Å; V53-F55 HydrophobicContact CG1-CE2 3.62Å; V53-F55 HydrophobicContact CG1-CZ 4.35Å; V53-F55 HydrophobicContact CG2-CD2 4.2Å; V53-F55 HydrophobicContact CG2-CE1 4.25Å; V53-F55 HydrophobicContact CG2-CE2 3.67Å; V53-F55 HydrophobicContact CG2-CZ 3.7Å; V53-C71 VanDerWaalsContact O-CA 3.3Å; V53-C71 WeakPolarHBondContact O-CA 3.31Å; V53-Y72 PolarHBondContact N-O 3.07Å; V53-Y72 VanDerWaalsContact N-O 3.12Å; V53-Y72 PolarHBondContact O-N 3.38Å; V53-I74 HydrophobicContact CG1-CG1 4.34Å; V53-Y79 HydrophobicContact CG1-CD2 4.14Å; V53-Y79 HydrophobicContact CG1-CE1 4.45Å; V53-Y79 HydrophobicContact CG1-CE2 3.37Å; V53-Y79 PolarHBondContact O-OH 3.36Å; V53-L86 HydrophobicContact CB-CD1 4.16Å; V53-L86 HydrophobicContact CG1-CD1 3.98Å; V53-L86 HydrophobicContact CG1-CD2 3.83Å; V53-L86 HydrophobicContact CG2-CD1 4.08Å
54C97Very high93.7Very high3 Ų343.8 Ų43.82%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-122.2132.9173.9-55.20000110.2Q46 R47 G70 C71Q46-C54 HydrophobicContact CB-CB 4.02Å; Q46-C54 WeakPolarHBondContact CB-O 3.37Å; Q46-C54 PolarHBondContact N-O 3.45Å; R47-C54 HydrophobicContact CG-CB 3.71Å; R47-C54 VanDerWaalsContact CG-SG 3.58Å; R47-C54 PolarHBondContact N-O 3.45Å; R47-C54 PolarHBondContact NE-SG 2.96Å; R47-C54 VanDerWaalsContact NE-SG 3.35Å; R47-C54 PolarHBondContact O-N 2.97Å; C54-G70 WeakPolarHBondContact CA-O 3.44Å; C54-C71 HydrophobicContact CB-CB 4.07Å; C54-C71 WeakPolarHBondContact CB-SG 3.4Å; C54-C71 WeakPolarHBondContact SG-CB 3.14Å; C54-C71 CovalentContact SG-SG 2.03Å; C54-C71 PolarHBondContact SG-SG 3.41Å
55F96.3Very high93.5Very high4 Ų445 Ų452%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-126.3156.7174.7-64.9-73.5000110.7Q44 F45 V53 Y58 Y68 F69 G70 Y79 I82 W85 L86Q44-F55 CarbonylContact O-C 3.55Å; Q44-F55 WeakPolarHBondContact O-CA 3.28Å; F45-F55 HydrophobicContact CB-CD1 4.41Å; F45-F55 HydrophobicContact CB-CE1 4.44Å; F45-F55 HydrophobicContact CD2-CD1 4.33Å; F45-F55 AromaticContact CD2-CE1 3.89Å; F45-F55 HydrophobicContact CD2-CE1 3.89Å; V53-F55 HydrophobicContact CB-CE2 4.32Å; V53-F55 HydrophobicContact CG1-CD2 4.19Å; V53-F55 HydrophobicContact CG1-CE2 3.62Å; V53-F55 HydrophobicContact CG1-CZ 4.35Å; V53-F55 HydrophobicContact CG2-CD2 4.2Å; V53-F55 HydrophobicContact CG2-CE1 4.25Å; V53-F55 HydrophobicContact CG2-CE2 3.67Å; V53-F55 HydrophobicContact CG2-CZ 3.7Å; F55-Y58 AromaticContact CD1-CD1 3.79Å; F55-Y58 HydrophobicContact CD1-CD1 3.79Å; F55-Y58 HydrophobicContact CD1-CD2 4.34Å; F55-Y58 AromaticContact CD1-CG 3.58Å; F55-Y58 HydrophobicContact CD1-CG 3.58Å; F55-Y58 AromaticContact CE1-CD1 3.58Å; F55-Y58 HydrophobicContact CE1-CD1 3.58Å; F55-Y58 HydrophobicContact CE1-CD2 4.39Å; F55-Y58 HydrophobicContact CE1-CE1 4.11Å; F55-Y58 AromaticContact CE1-CG 3.76Å; F55-Y58 HydrophobicContact CE1-CG 3.76Å; F55-Y58 HydrophobicContact CG-CD1 4.45Å; F55-Y58 HydrophobicContact CG-CG 4.36Å; F55-Y58 HydrophobicContact CZ-CD1 4.09Å; F55-Y58 HydrophobicContact CZ-CE1 4.48Å; F55-Y68 VanDerWaalsContact CB-O 3.28Å; F55-Y68 WeakPolarHBondContact CB-O 3.28Å; F55-F69 CarbonylContact O-C 3.51Å; F55-F69 WeakPolarHBondContact O-CA 3.38Å; F55-G70 PolarHBondContact N-O 2.87Å; F55-G70 PolarHBondContact O-N 3.38Å; F55-Y79 AromaticContact CD2-CE1 3.66Å; F55-Y79 HydrophobicContact CD2-CE1 3.66Å; F55-Y79 AromaticContact CD2-CZ 3.91Å; F55-Y79 HydrophobicContact CE2-CD1 4.36Å; F55-Y79 AromaticContact CE2-CE1 3.75Å; F55-Y79 HydrophobicContact CE2-CE1 3.75Å; F55-I82 HydrophobicContact CE2-CD1 4.21Å; F55-I82 HydrophobicContact CZ-CD1 4.4Å; F55-W85 HydrophobicContact CZ-CH2 4.47Å; F55-W85 HydrophobicContact CZ-CZ3 4.27Å; F55-L86 HydrophobicContact CZ-CD1 4.26Å
56D95.4Very high93.4Very high95 Ų9548 Ų4851%0.50825%0.25SS..EExtended strand (participates in β ladder)trans-134.7100.9168.7-167.916.5000109.2Q44 Q46 Y58 F69Q44-D56 VanDerWaalsContact CA-O 3.26Å; Q44-D56 WeakPolarHBondContact CA-O 3.47Å; Q44-D56 PolarHBondContact O-N 3.14Å; Q46-D56 HydrophobicContact CG-CB 3.97Å; D56-Y58 VanDerWaalsContact C-N 3.28Å; D56-Y58 PolarHBondContact O-N 3.44Å; D56-F69 WeakPolarHBondContact OD1-CD1 3.46Å
57G93.9Very high93.3Very high15 Ų1546.8 Ų46.816%0.15525%0.249CC..EExtended strand (participates in β ladder)trans67.118.3-177.400000115.9Q44 M59 Y68Q44-G57 PolarHBondContact NE2-O 2.88Å; G57-M59 PolarHBondContact O-N 2.92Å; G57-Y68 PolarHBondContact N-O 2.95Å
58Y93.7Very high93.3Very high9 Ų944.1 Ų44.14%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-61.6129-177.8-178.2-110.9000112.2Q44 F55 D56 R60 A67 Y68 W85 P160Q44-Y58 HydrophobicContact CB-CD2 3.94Å; Q44-Y58 HydrophobicContact CB-CG 4.5Å; F55-Y58 AromaticContact CD1-CD1 3.79Å; F55-Y58 HydrophobicContact CD1-CD1 3.79Å; F55-Y58 HydrophobicContact CD1-CD2 4.34Å; F55-Y58 AromaticContact CD1-CG 3.58Å; F55-Y58 HydrophobicContact CD1-CG 3.58Å; F55-Y58 AromaticContact CE1-CD1 3.58Å; F55-Y58 HydrophobicContact CE1-CD1 3.58Å; F55-Y58 HydrophobicContact CE1-CD2 4.39Å; F55-Y58 HydrophobicContact CE1-CE1 4.11Å; F55-Y58 AromaticContact CE1-CG 3.76Å; F55-Y58 HydrophobicContact CE1-CG 3.76Å; F55-Y58 HydrophobicContact CG-CD1 4.45Å; F55-Y58 HydrophobicContact CG-CG 4.36Å; F55-Y58 HydrophobicContact CZ-CD1 4.09Å; F55-Y58 HydrophobicContact CZ-CE1 4.48Å; D56-Y58 VanDerWaalsContact C-N 3.28Å; D56-Y58 PolarHBondContact O-N 3.44Å; Y58-R60 HydrophobicContact CE1-CB 4.2Å; Y58-R60 PolarHBondContact OH-NH1 3.2Å; Y58-A67 CarbonylContact O-C 3.51Å; Y58-A67 VanDerWaalsContact O-CA 3.29Å; Y58-A67 WeakPolarHBondContact O-CA 3.49Å; Y58-Y68 HydrophobicContact CD1-CD2 4.16Å; Y58-Y68 PolarHBondContact N-O 3.44Å; Y58-Y68 VanDerWaalsContact O-CD2 3.3Å; Y58-Y68 WeakPolarHBondContact O-CD2 3.34Å; Y58-Y68 PolarHBondContact O-N 2.96Å; Y58-W85 AromaticContact CE1-CH2 3.71Å; Y58-W85 HydrophobicContact CE1-CH2 3.71Å; Y58-W85 AromaticContact CE1-CZ3 3.68Å; Y58-W85 HydrophobicContact CE1-CZ3 3.68Å; Y58-W85 AromaticContact CZ-CH2 3.67Å; Y58-W85 WeakPolarHBondContact OH-CH2 3.22Å; Y58-P160 HydrophobicContact CE2-CB 4.38Å; Y58-P160 HydrophobicContact CE2-CG 4.44Å
59M92.6Very high93.2Very high81 Ų8149.6 Ų49.640%0.39926%0.263SS..EExtended strand (participates in β ladder)trans-117.1129.5170.1-67.1-177.8179.300109.1G57 Y64 A67G57-M59 PolarHBondContact O-N 2.92Å; M59-Y64 HydrophobicContact CB-CD1 4.36Å; M59-A67 HydrophobicContact CE-CB 3.93Å; M59-A67 HydrophobicContact CG-CB 4.11Å
60R89.9Confident93.2Very high63 Ų6351.3 Ų51.324%0.23828%0.281CS..EExtended strand (participates in β ladder)trans-78.1129.5180178.468.9-169.3163.8-2.8109.1Y58 G62 L63 I82 W85Y58-R60 HydrophobicContact CE1-CB 4.2Å; Y58-R60 PolarHBondContact OH-NH1 3.2Å; R60-G62 PolarHBondContact O-N 3.17Å; R60-L63 HydrophobicContact CB-CB 4.21Å; R60-L63 HydrophobicContact CG-CD1 4.44Å; R60-L63 CarbonylContact O-C 3.32Å; R60-L63 VanDerWaalsContact O-C 3.32Å; R60-L63 WeakPolarHBondContact O-CA 3.26Å; R60-L63 PolarHBondContact O-N 3.1Å; R60-I82 HydrophobicContact CB-CG2 3.86Å; R60-I82 HydrophobicContact CG-CG2 4.01Å; R60-W85 VanDerWaalsContact NH1-CZ2 3.32Å; R60-W85 VanDerWaalsContact NH1-NE1 3.14Å; R60-W85 VanDerWaalsContact NH2-CD1 3.27Å
61P88.2Confident93.2Very high83 Ų8354.2 Ų54.254%0.53930%0.301SS..THydrogen-bonded Turntrans-54.4125.6174-28.136.4000111.6
62G85.7Confident93.2Very high61 Ų6156.4 Ų56.463%0.62931%0.309SS*.THydrogen-bonded Turntrans87.8-13.7-173.300000115.9R60 Y64R60-G62 PolarHBondContact O-N 3.17Å; G62-Y64 VanDerWaalsContact N-CE2 3.35Å
63L87Confident93.1Very high63 Ų6360 Ų6033%0.3332%0.32SS..EExtended strand (participates in β ladder)trans-126.174.3174.4-75.283.9000109.7R60 R81R60-L63 HydrophobicContact CB-CB 4.21Å; R60-L63 HydrophobicContact CG-CD1 4.44Å; R60-L63 CarbonylContact O-C 3.32Å; R60-L63 VanDerWaalsContact O-C 3.32Å; R60-L63 WeakPolarHBondContact O-CA 3.26Å; R60-L63 PolarHBondContact O-N 3.1Å; L63-R81 HydrophobicContact CD2-CB 4.08Å
64Y83.9Confident93.1Very high159 Ų15960 Ų6062%0.62432%0.32SS*.EExtended strand (participates in β ladder)trans-87.53.4-176.7-58.4-72.6000114.4M59 G62 K66M59-Y64 HydrophobicContact CB-CD1 4.36Å; G62-Y64 VanDerWaalsContact N-CE2 3.35Å; Y64-K66 VanDerWaalsContact C-N 3.34Å
65D89.6Confident93.1Very high109 Ų10963.2 Ų63.258%0.58333%0.332SS*.EExtended strand (participates in β ladder)trans-83.1-9.2-177.180.7-48.9000114R81D65-R81 IonicContact OD1-NH1 3.73Å; D65-R81 PolarHBondContact OD1-NH1 3.36Å; D65-R81 IonicContact OD2-CZ 3.81Å; D65-R81 IonicContact OD2-NH1 2.66Å; D65-R81 PolarHBondContact OD2-NH1 3.07Å; D65-R81 IonicContact OD2-NH2 3.42Å
66K92.3Very high93.1Very high69 Ų6968.6 Ų68.630%0.335%0.353SS..EExtended strand (participates in β ladder)trans-144122.9-179.4-174.1176.3-177.2-178.90111.8Y64 Y68 I78Y64-K66 VanDerWaalsContact C-N 3.34Å; K66-Y68 HydrophobicContact CD-CE1 3.84Å; K66-Y68 HydrophobicContact CG-CE1 4.27Å; K66-Y68 WeakPolarHBondContact O-CE2 3.45Å; K66-I78 PolarHBondContact NZ-O 3.42Å
67A94Very high93.1Very high30 Ų3068.7 Ų68.725%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-87.6144.8164.800000111.1Y58 M59 F69Y58-A67 CarbonylContact O-C 3.51Å; Y58-A67 VanDerWaalsContact O-CA 3.29Å; Y58-A67 WeakPolarHBondContact O-CA 3.49Å; M59-A67 HydrophobicContact CE-CB 3.93Å; M59-A67 HydrophobicContact CG-CB 4.11Å; A67-F69 HydrophobicContact CB-CD2 4.3Å; A67-F69 HydrophobicContact CB-CE2 3.61Å; A67-F69 HydrophobicContact CB-CZ 4.23Å
68Y95.1Very high93.1Very high0 Ų069.7 Ų69.70%036%0.359CS..EExtended strand (participates in β ladder)trans-107.9128.1178.7-59.1-86.3000110.3F55 G57 Y58 K66 I78 Y79 I82F55-Y68 VanDerWaalsContact CB-O 3.28Å; F55-Y68 WeakPolarHBondContact CB-O 3.28Å; G57-Y68 PolarHBondContact N-O 2.95Å; Y58-Y68 HydrophobicContact CD1-CD2 4.16Å; Y58-Y68 PolarHBondContact N-O 3.44Å; Y58-Y68 VanDerWaalsContact O-CD2 3.3Å; Y58-Y68 WeakPolarHBondContact O-CD2 3.34Å; Y58-Y68 PolarHBondContact O-N 2.96Å; K66-Y68 HydrophobicContact CD-CE1 3.84Å; K66-Y68 HydrophobicContact CG-CE1 4.27Å; K66-Y68 WeakPolarHBondContact O-CE2 3.45Å; Y68-I78 WeakPolarHBondContact CE1-O 3.45Å; Y68-Y79 AromaticContact CD1-CD1 3.61Å; Y68-Y79 HydrophobicContact CD1-CD1 3.61Å; Y68-Y79 AromaticContact CD1-CE1 3.83Å; Y68-Y79 HydrophobicContact CD1-CE1 3.83Å; Y68-Y79 HydrophobicContact CE1-CD1 4.04Å; Y68-Y79 HydrophobicContact CG-CD1 4.41Å; Y68-Y79 HydrophobicContact CG-CE1 4.35Å; Y68-I82 HydrophobicContact CD1-CD1 4.18Å; Y68-I82 HydrophobicContact CD2-CD1 4.05Å; Y68-I82 HydrophobicContact CE1-CD1 4.03Å; Y68-I82 HydrophobicContact CE1-CG1 4.21Å; Y68-I82 HydrophobicContact CE2-CD1 3.95Å; Y68-I82 HydrophobicContact CE2-CG1 4.45Å; Y68-I82 HydrophobicContact CE2-CG2 3.96Å; Y68-I82 HydrophobicContact CG-CD1 4.2Å
69F96.4Very high93.2Very high116 Ų11669.3 Ų69.351%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-130.7151.9-178.9-65.7-90.2000110.4F55 D56 A67 Y72F55-F69 CarbonylContact O-C 3.51Å; F55-F69 WeakPolarHBondContact O-CA 3.38Å; D56-F69 WeakPolarHBondContact OD1-CD1 3.46Å; A67-F69 HydrophobicContact CB-CD2 4.3Å; A67-F69 HydrophobicContact CB-CE2 3.61Å; A67-F69 HydrophobicContact CB-CZ 4.23Å; F69-Y72 WeakPolarHBondContact O-CE2 3.31Å
70G95.9Very high93.2Very high37 Ų3768.6 Ų68.638%0.38136%0.355SS..EExtended strand (participates in β ladder)trans78.4-178.5175.500000114.2C54 F55C54-G70 WeakPolarHBondContact CA-O 3.44Å; F55-G70 PolarHBondContact N-O 2.87Å; F55-G70 PolarHBondContact O-N 3.38Å
71C97.1Very high93.4Very high61 Ų6172.8 Ų72.841%0.41237%0.371SS..EExtended strand (participates in β ladder)trans-104.7122.5179.4-61.10000110.6T52 V53 C54T52-C71 HydrophobicContact CG2-CB 4.3Å; V53-C71 VanDerWaalsContact O-CA 3.3Å; V53-C71 WeakPolarHBondContact O-CA 3.31Å; C54-C71 HydrophobicContact CB-CB 4.07Å; C54-C71 WeakPolarHBondContact CB-SG 3.4Å; C54-C71 WeakPolarHBondContact SG-CB 3.14Å; C54-C71 CovalentContact SG-SG 2.03Å; C54-C71 PolarHBondContact SG-SG 3.41Å
72Y97.4Very high93.7Very high91 Ų9169.1 Ų69.136%0.35735%0.346SS..EExtended strand (participates in β ladder)trans-135.9158.3175.3-64.4-86.8000112.1T52 V53 F69 Y76 I78 Y79T52-Y72 WeakPolarHBondContact CA-O 3.23Å; V53-Y72 PolarHBondContact N-O 3.07Å; V53-Y72 VanDerWaalsContact N-O 3.12Å; V53-Y72 PolarHBondContact O-N 3.38Å; F69-Y72 WeakPolarHBondContact O-CE2 3.31Å; Y72-Y76 AromaticContact CD1-CD1 3.37Å; Y72-Y76 HydrophobicContact CD1-CD1 3.37Å; Y72-Y76 AromaticContact CD1-CE1 3.54Å; Y72-Y76 HydrophobicContact CD1-CE1 3.54Å; Y72-Y76 HydrophobicContact CD1-CG 4.24Å; Y72-Y76 AromaticContact CE1-CD1 3.96Å; Y72-Y76 HydrophobicContact CE1-CD1 3.96Å; Y72-Y76 AromaticContact CE1-CE1 3.63Å; Y72-Y76 HydrophobicContact CE1-CE1 3.63Å; Y72-Y76 AromaticContact CG-CD1 3.88Å; Y72-Y76 HydrophobicContact CG-CD1 3.88Å; Y72-Y76 HydrophobicContact CG-CE1 4.39Å; Y72-I78 HydrophobicContact CD2-CD1 4.13Å; Y72-I78 HydrophobicContact CD2-CG2 3.95Å; Y72-I78 HydrophobicContact CE2-CD1 3.71Å; Y72-I78 HydrophobicContact CG-CG2 4Å; Y72-Y79 PolarHBondContact N-OH 3.13Å
73Y97Very high94.2Very high111 Ų11170 Ų7044%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-58.4138.3168.9-177.8-120.7000110.2W51 Y75 Y76W51-Y73 HydrophobicContact CB-CD2 4.06Å; W51-Y73 HydrophobicContact CB-CE2 3.95Å; W51-Y73 HydrophobicContact CD2-CE2 4.3Å; W51-Y73 AromaticContact CE3-CE2 3.74Å; W51-Y73 HydrophobicContact CE3-CE2 3.74Å; W51-Y73 HydrophobicContact CG-CE2 4.43Å; W51-Y73 CarbonylContact O-C 3.14Å; W51-Y73 WeakPolarHBondContact O-CA 3.48Å; W51-Y73 WeakPolarHBondContact O-CD2 3.31Å; Y73-Y75 HydrophobicContact CD1-CD2 4.41Å; Y73-Y75 AromaticContact CE1-CD2 3.73Å; Y73-Y75 HydrophobicContact CE1-CD2 3.73Å; Y73-Y75 HydrophobicContact CE1-CG 4.1Å; Y73-Y75 HydrophobicContact CE2-CD2 4.3Å; Y73-Y75 AromaticContact CZ-CD2 3.64Å; Y73-Y75 PolarHBondContact O-N 3.01Å; Y73-Y75 VanDerWaalsContact O-N 3.13Å; Y73-Y76 WeakPolarHBondContact O-CB 3.33Å; Y73-Y76 PolarHBondContact O-N 3.09Å
74I97Very high94.5Very high0 Ų073.4 Ų73.40%035%0.349CS..THydrogen-bonded Turntrans-59.4-29.7-171.8-75.2169.5000112.8I48 W51 V53 L86 N87 L91I48-I74 HydrophobicContact CD1-CD1 4.39Å; I48-I74 HydrophobicContact CG1-CD1 4.5Å; W51-I74 WeakPolarHBondContact O-CG1 3.44Å; W51-I74 PolarHBondContact O-N 2.83Å; V53-I74 HydrophobicContact CG1-CG1 4.34Å; I74-L86 HydrophobicContact CB-CD2 4.47Å; I74-L86 HydrophobicContact CG1-CD2 4.28Å; I74-L86 HydrophobicContact CG1-CG 4.49Å; I74-L86 HydrophobicContact CG2-CD2 4.1Å; I74-L86 HydrophobicContact CG2-CG 4.23Å; I74-N87 HydrophobicContact CG2-CB 3.7Å; I74-L91 HydrophobicContact CD1-CD2 4.3Å
75Y96Very high95Very high70 Ų7067.8 Ų67.828%0.27533%0.327SS..THydrogen-bonded Turntrans-96.612.2177.2-53.8-101.6000113.4W51 Y73 N87 Y92 Q95W51-Y75 HydrophobicContact CE3-CE2 4.49Å; W51-Y75 HydrophobicContact CZ3-CE2 4.31Å; Y73-Y75 HydrophobicContact CD1-CD2 4.41Å; Y73-Y75 AromaticContact CE1-CD2 3.73Å; Y73-Y75 HydrophobicContact CE1-CD2 3.73Å; Y73-Y75 HydrophobicContact CE1-CG 4.1Å; Y73-Y75 HydrophobicContact CE2-CD2 4.3Å; Y73-Y75 AromaticContact CZ-CD2 3.64Å; Y73-Y75 PolarHBondContact O-N 3.01Å; Y73-Y75 VanDerWaalsContact O-N 3.13Å; Y75-N87 PolarHBondContact OH-ND2 3.4Å; Y75-Y92 WeakPolarHBondContact OH-CD2 3.4Å; Y75-Q95 PolarHBondContact OH-OE1 3.01Å
76Y96.6Very high95.3Very high117 Ų11762.8 Ų62.846%0.45930%0.3SS..SBendtrans-72.8140.4175.1-169.6-119.4000110.7Y72 Y73 I78 Y79Y72-Y76 AromaticContact CD1-CD1 3.37Å; Y72-Y76 HydrophobicContact CD1-CD1 3.37Å; Y72-Y76 AromaticContact CD1-CE1 3.54Å; Y72-Y76 HydrophobicContact CD1-CE1 3.54Å; Y72-Y76 HydrophobicContact CD1-CG 4.24Å; Y72-Y76 AromaticContact CE1-CD1 3.96Å; Y72-Y76 HydrophobicContact CE1-CD1 3.96Å; Y72-Y76 AromaticContact CE1-CE1 3.63Å; Y72-Y76 HydrophobicContact CE1-CE1 3.63Å; Y72-Y76 AromaticContact CG-CD1 3.88Å; Y72-Y76 HydrophobicContact CG-CD1 3.88Å; Y72-Y76 HydrophobicContact CG-CE1 4.39Å; Y73-Y76 WeakPolarHBondContact O-CB 3.33Å; Y73-Y76 PolarHBondContact O-N 3.09Å; Y76-I78 HydrophobicContact CD1-CB 3.89Å; Y76-I78 HydrophobicContact CD1-CG2 3.65Å; Y76-I78 HydrophobicContact CE1-CB 4.26Å; Y76-I78 HydrophobicContact CE1-CG2 4.41Å; Y76-I78 PolarHBondContact O-N 3.34Å; Y76-Y79 PolarHBondContact O-N 3Å
77V96Very high95.5Very high98 Ų9860.4 Ų60.459%0.59429%0.291SS*.G310 helixtrans-50.2-24.2-174.267.40000114.6Y79 D80V77-Y79 PolarHBondContact O-N 3.48Å; V77-D80 WeakPolarHBondContact CA-OD2 3.11Å; V77-D80 WeakPolarHBondContact CG2-OD2 3.45Å
78I94.1Very high95.6Very high36 Ų3660.3 Ų60.319%0.18529%0.287CS..G310 helixtrans-58.7-35.8174.9-158175.4000112.1K66 Y68 Y72 Y76K66-I78 PolarHBondContact NZ-O 3.42Å; Y68-I78 WeakPolarHBondContact CE1-O 3.45Å; Y72-I78 HydrophobicContact CD2-CD1 4.13Å; Y72-I78 HydrophobicContact CD2-CG2 3.95Å; Y72-I78 HydrophobicContact CE2-CD1 3.71Å; Y72-I78 HydrophobicContact CG-CG2 4Å; Y76-I78 HydrophobicContact CD1-CB 3.89Å; Y76-I78 HydrophobicContact CD1-CG2 3.65Å; Y76-I78 HydrophobicContact CE1-CB 4.26Å; Y76-I78 HydrophobicContact CE1-CG2 4.41Å; Y76-I78 PolarHBondContact O-N 3.34Å
79Y94.8Very high95.6Very high0 Ų066.7 Ų66.70%032%0.32CS..G310 helixtrans-96.30.1-172.5-62.7-41.8000115V53 F55 Y68 Y72 Y76 V77 R81 I82 R83 L86V53-Y79 HydrophobicContact CG1-CD2 4.14Å; V53-Y79 HydrophobicContact CG1-CE1 4.45Å; V53-Y79 HydrophobicContact CG1-CE2 3.37Å; V53-Y79 PolarHBondContact O-OH 3.36Å; F55-Y79 AromaticContact CD2-CE1 3.66Å; F55-Y79 HydrophobicContact CD2-CE1 3.66Å; F55-Y79 AromaticContact CD2-CZ 3.91Å; F55-Y79 HydrophobicContact CE2-CD1 4.36Å; F55-Y79 AromaticContact CE2-CE1 3.75Å; F55-Y79 HydrophobicContact CE2-CE1 3.75Å; Y68-Y79 AromaticContact CD1-CD1 3.61Å; Y68-Y79 HydrophobicContact CD1-CD1 3.61Å; Y68-Y79 AromaticContact CD1-CE1 3.83Å; Y68-Y79 HydrophobicContact CD1-CE1 3.83Å; Y68-Y79 HydrophobicContact CE1-CD1 4.04Å; Y68-Y79 HydrophobicContact CG-CD1 4.41Å; Y68-Y79 HydrophobicContact CG-CE1 4.35Å; Y72-Y79 PolarHBondContact N-OH 3.13Å; Y76-Y79 PolarHBondContact O-N 3Å; V77-Y79 PolarHBondContact O-N 3.48Å; Y79-R81 PolarHBondContact O-N 3.15Å; Y79-I82 HydrophobicContact CD1-CD1 3.91Å; Y79-I82 HydrophobicContact CD1-CG1 4.3Å; Y79-I82 CarbonylContact O-C 3.54Å; Y79-I82 VanDerWaalsContact O-CG1 3.31Å; Y79-I82 WeakPolarHBondContact O-CG1 3.4Å; Y79-I82 PolarHBondContact O-N 3.28Å; Y79-R83 PolarHBondContact O-N 3.35Å; Y79-L86 HydrophobicContact CD2-CD2 3.96Å; Y79-L86 HydrophobicContact CG-CD2 4.08Å
80D94.1Very high95.6Very high66 Ų6664.2 Ų64.235%0.35331%0.308SS..THydrogen-bonded Turntrans-48.2-40.6-172-80.7-38.1000114.1V77 I82 R83V77-D80 WeakPolarHBondContact CA-OD2 3.11Å; V77-D80 WeakPolarHBondContact CG2-OD2 3.45Å; D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 3.27Å; D80-R83 IonicContact OD1-CZ 2.64Å; D80-R83 IonicContact OD1-NH1 3.7Å; D80-R83 PolarHBondContact OD1-NH1 2.99Å; D80-R83 IonicContact OD1-NH2 3.03Å
81R94Very high95.7Very high152 Ų15262.5 Ų62.557%0.57429%0.29SS*.THydrogen-bonded Turntrans-71-15.9179.5-64.2-169.7-178.2-175.54.8115.7L63 D65 Y79L63-R81 HydrophobicContact CD2-CB 4.08Å; D65-R81 IonicContact OD1-NH1 3.73Å; D65-R81 PolarHBondContact OD1-NH1 3.36Å; D65-R81 IonicContact OD2-CZ 3.81Å; D65-R81 IonicContact OD2-NH1 2.66Å; D65-R81 PolarHBondContact OD2-NH1 3.07Å; D65-R81 IonicContact OD2-NH2 3.42Å; Y79-R81 PolarHBondContact O-N 3.15Å
82I94.6Very high95.7Very high5 Ų565.1 Ų65.13%0.02629%0.292CS..THydrogen-bonded Turntrans-118.7-2.9177.961.5165.1000113.1F55 R60 Y68 Y79 D80 D84 W85 L86F55-I82 HydrophobicContact CE2-CD1 4.21Å; F55-I82 HydrophobicContact CZ-CD1 4.4Å; R60-I82 HydrophobicContact CB-CG2 3.86Å; R60-I82 HydrophobicContact CG-CG2 4.01Å; Y68-I82 HydrophobicContact CD1-CD1 4.18Å; Y68-I82 HydrophobicContact CD2-CD1 4.05Å; Y68-I82 HydrophobicContact CE1-CD1 4.03Å; Y68-I82 HydrophobicContact CE1-CG1 4.21Å; Y68-I82 HydrophobicContact CE2-CD1 3.95Å; Y68-I82 HydrophobicContact CE2-CG1 4.45Å; Y68-I82 HydrophobicContact CE2-CG2 3.96Å; Y68-I82 HydrophobicContact CG-CD1 4.2Å; Y79-I82 HydrophobicContact CD1-CD1 3.91Å; Y79-I82 HydrophobicContact CD1-CG1 4.3Å; Y79-I82 CarbonylContact O-C 3.54Å; Y79-I82 VanDerWaalsContact O-CG1 3.31Å; Y79-I82 WeakPolarHBondContact O-CG1 3.4Å; Y79-I82 PolarHBondContact O-N 3.28Å; D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 3.27Å; I82-D84 VanDerWaalsContact C-N 3.29Å; I82-D84 PolarHBondContact O-N 3.36Å; I82-W85 HydrophobicContact CB-CE3 4.24Å; I82-W85 HydrophobicContact CD1-CZ3 4.32Å; I82-W85 PolarHBondContact O-N 2.93Å; I82-W85 VanDerWaalsContact O-N 3.13Å; I82-L86 WeakPolarHBondContact O-CB 3.49Å; I82-L86 PolarHBondContact O-N 3.42Å
83R94.7Very high95.7Very high80 Ų8064.1 Ų64.130%0.30230%0.295SS..Hα-helixtrans-56.6-40.8-172.3-175.9177.660.4-141.6-13112.7Y79 D80 W85 L86 N87Y79-R83 PolarHBondContact O-N 3.35Å; D80-R83 IonicContact OD1-CZ 2.64Å; D80-R83 IonicContact OD1-NH1 3.7Å; D80-R83 PolarHBondContact OD1-NH1 2.99Å; D80-R83 IonicContact OD1-NH2 3.03Å; R83-W85 VanDerWaalsContact C-N 3.25Å; R83-W85 PolarHBondContact O-N 2.94Å; R83-L86 PolarHBondContact O-N 3.42Å; R83-N87 WeakPolarHBondContact O-CB 3.3Å; R83-N87 PolarHBondContact O-N 3.5Å
84D94.1Very high95.8Very high135 Ų13559.4 Ų59.472%0.72228%0.277SS*.Hα-helixtrans-70.2-23.5-175.4-54.8-12.6000112.6I82I82-D84 VanDerWaalsContact C-N 3.29Å; I82-D84 PolarHBondContact O-N 3.36Å
85W94.3Very high95.8Very high41 Ų4159.5 Ų59.516%0.15528%0.278CS..Hα-helixtrans-84.9-44.5167.3159.972.1000112F55 Y58 R60 I82 R83 N87 P88 R157 W158F55-W85 HydrophobicContact CZ-CH2 4.47Å; F55-W85 HydrophobicContact CZ-CZ3 4.27Å; Y58-W85 AromaticContact CE1-CH2 3.71Å; Y58-W85 HydrophobicContact CE1-CH2 3.71Å; Y58-W85 AromaticContact CE1-CZ3 3.68Å; Y58-W85 HydrophobicContact CE1-CZ3 3.68Å; Y58-W85 AromaticContact CZ-CH2 3.67Å; Y58-W85 WeakPolarHBondContact OH-CH2 3.22Å; R60-W85 VanDerWaalsContact NH1-CZ2 3.32Å; R60-W85 VanDerWaalsContact NH1-NE1 3.14Å; R60-W85 VanDerWaalsContact NH2-CD1 3.27Å; I82-W85 HydrophobicContact CB-CE3 4.24Å; I82-W85 HydrophobicContact CD1-CZ3 4.32Å; I82-W85 PolarHBondContact O-N 2.93Å; I82-W85 VanDerWaalsContact O-N 3.13Å; R83-W85 VanDerWaalsContact C-N 3.25Å; R83-W85 PolarHBondContact O-N 2.94Å; W85-N87 VanDerWaalsContact C-N 3.31Å; W85-N87 PolarHBondContact O-N 3.24Å; W85-P88 WeakPolarHBondContact O-CD 3.47Å; W85-R157 PolarHBondContact NE1-O 3.06Å; W85-W158 WeakPolarHBondContact CZ2-O 3.41Å; W85-W158 PolarHBondContact NE1-O 3.05Å; W85-W158 VanDerWaalsContact O-CD1 3.31Å
86L95.2Very high95.9Very high3 Ų359.4 Ų59.42%0.01628%0.284CS..Hα-helixtrans-62.4-39-176.4173.462.6000111.9I48 V53 F55 I74 Y79 I82 R83 P88 W158I48-L86 HydrophobicContact CD1-CD1 3.85Å; V53-L86 HydrophobicContact CB-CD1 4.16Å; V53-L86 HydrophobicContact CG1-CD1 3.98Å; V53-L86 HydrophobicContact CG1-CD2 3.83Å; V53-L86 HydrophobicContact CG2-CD1 4.08Å; F55-L86 HydrophobicContact CZ-CD1 4.26Å; I74-L86 HydrophobicContact CB-CD2 4.47Å; I74-L86 HydrophobicContact CG1-CD2 4.28Å; I74-L86 HydrophobicContact CG1-CG 4.49Å; I74-L86 HydrophobicContact CG2-CD2 4.1Å; I74-L86 HydrophobicContact CG2-CG 4.23Å; Y79-L86 HydrophobicContact CD2-CD2 3.96Å; Y79-L86 HydrophobicContact CG-CD2 4.08Å; I82-L86 WeakPolarHBondContact O-CB 3.49Å; I82-L86 PolarHBondContact O-N 3.42Å; R83-L86 PolarHBondContact O-N 3.42Å; L86-P88 VanDerWaalsContact C-CD 3.4Å; L86-P88 WeakPolarHBondContact O-CD 3.22Å; L86-W158 PolarHBondContact O-NE1 2.89Å
87N96.4Very high96Very high19 Ų1956.1 Ų56.110%0.10228%0.277CS..SBendtrans-11868.6-175.8-164.148000111.4I74 Y75 R83 W85 L91 Q95I74-N87 HydrophobicContact CG2-CB 3.7Å; Y75-N87 PolarHBondContact OH-ND2 3.4Å; R83-N87 WeakPolarHBondContact O-CB 3.3Å; R83-N87 PolarHBondContact O-N 3.5Å; W85-N87 VanDerWaalsContact C-N 3.31Å; W85-N87 PolarHBondContact O-N 3.24Å; N87-L91 WeakPolarHBondContact OD1-CG 3.49Å; N87-Q95 PolarHBondContact OD1-NE2 3.32Å; N87-Q95 PolarHBondContact OD1-OE1 3.42Å
88P96.4Very high96.1Very high28 Ų2851.9 Ų51.918%0.18225%0.251CS..  trans-64.2161.7178.731-37.6000110.9W85 L86 W90 L91 Y92 W158W85-P88 WeakPolarHBondContact O-CD 3.47Å; L86-P88 VanDerWaalsContact C-CD 3.4Å; L86-P88 WeakPolarHBondContact O-CD 3.22Å; P88-W90 HydrophobicContact CG-CD2 4.48Å; P88-W90 HydrophobicContact CG-CG 4.3Å; P88-W90 HydrophobicContact CG-CZ2 4.39Å; P88-W90 PolarHBondContact O-N 2.94Å; P88-L91 HydrophobicContact CG-CB 4.16Å; P88-L91 PolarHBondContact O-N 2.85Å; P88-Y92 PolarHBondContact O-N 3.28Å; P88-Y92 VanDerWaalsContact O-N 3.09Å; P88-W158 HydrophobicContact CG-CG 4.25Å
89I96.3Very high96.3Very high135 Ų13552.1 Ų52.169%0.69226%0.256SS*.Hα-helixtrans-53.2-30.9-175.4-170.958.6000114.1T93I89-T93 WeakPolarHBondContact O-CB 3.45Å; I89-T93 PolarHBondContact O-N 2.92Å; I89-T93 PolarHBondContact O-OG1 2.69Å
90W96.6Very high96.5Very high64 Ų6454.9 Ų54.924%0.24228%0.275CS..Hα-helixtrans-67.9-43174.878-104.3000111.7P88 T93 I94 A148 F149 A152 W158P88-W90 HydrophobicContact CG-CD2 4.48Å; P88-W90 HydrophobicContact CG-CG 4.3Å; P88-W90 HydrophobicContact CG-CZ2 4.39Å; P88-W90 PolarHBondContact O-N 2.94Å; W90-T93 WeakPolarHBondContact O-CB 3.35Å; W90-T93 PolarHBondContact O-N 2.9Å; W90-I94 HydrophobicContact CE3-CG1 4.04Å; W90-I94 HydrophobicContact CZ3-CG1 4.31Å; W90-I94 WeakPolarHBondContact O-CG1 3.34Å; W90-I94 PolarHBondContact O-N 3.04Å; W90-A148 HydrophobicContact CE3-CB 3.85Å; W90-A148 HydrophobicContact CZ3-CB 3.94Å; W90-F149 HydrophobicContact CH2-CD2 4.38Å; W90-F149 HydrophobicContact CH2-CE2 4.31Å; W90-F149 HydrophobicContact CH2-CZ 4.39Å; W90-F149 HydrophobicContact CZ3-CD2 4.13Å; W90-F149 HydrophobicContact CZ3-CE2 4.11Å; W90-A152 HydrophobicContact CH2-CB 3.68Å; W90-A152 HydrophobicContact CZ2-CB 3.29Å; W90-A152 HydrophobicContact CZ3-CB 4.41Å; W90-W158 AromaticContact CH2-CH2 3.74Å; W90-W158 HydrophobicContact CH2-CH2 3.74Å; W90-W158 HydrophobicContact CH2-CZ2 4.04Å; W90-W158 HydrophobicContact CH2-CZ3 4.02Å; W90-W158 AromaticContact CZ2-CD2 3.8Å; W90-W158 HydrophobicContact CZ2-CD2 3.8Å; W90-W158 AromaticContact CZ2-CE2 3.76Å; W90-W158 AromaticContact CZ2-CE3 3.74Å; W90-W158 HydrophobicContact CZ2-CE3 3.74Å; W90-W158 AromaticContact CZ2-CH2 3.62Å; W90-W158 HydrophobicContact CZ2-CH2 3.62Å; W90-W158 AromaticContact CZ2-CZ2 3.69Å; W90-W158 HydrophobicContact CZ2-CZ2 3.69Å; W90-W158 AromaticContact CZ2-CZ3 3.64Å; W90-W158 HydrophobicContact CZ2-CZ3 3.64Å
91L97.4Very high96.7Very high0 Ų051.7 Ų51.70%026%0.258CS..Hα-helixtrans-69.4-39.1-179.8-178.857.9000110.7I74 N87 P88 T93 I94 Q95 F149 W158I74-L91 HydrophobicContact CD1-CD2 4.3Å; N87-L91 WeakPolarHBondContact OD1-CG 3.49Å; P88-L91 HydrophobicContact CG-CB 4.16Å; P88-L91 PolarHBondContact O-N 2.85Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.83Å; L91-I94 PolarHBondContact O-N 3.18Å; L91-Q95 WeakPolarHBondContact O-CB 3.41Å; L91-Q95 WeakPolarHBondContact O-CG 3.5Å; L91-Q95 PolarHBondContact O-N 3.48Å; L91-F149 HydrophobicContact CD1-CE2 3.82Å; L91-F149 HydrophobicContact CD1-CZ 3.61Å; L91-W158 HydrophobicContact CD2-CZ2 4.06Å
92Y97Very high96.9Very high116 Ų11645 Ų4546%0.45523%0.234SC..Hα-helixtrans-56.8-44.6169.9-173.8-89.4000111.8Y75 P88 I94 Q95 V96Y75-Y92 WeakPolarHBondContact OH-CD2 3.4Å; P88-Y92 PolarHBondContact O-N 3.28Å; P88-Y92 VanDerWaalsContact O-N 3.09Å; Y92-I94 PolarHBondContact O-N 2.99Å; Y92-Q95 WeakPolarHBondContact O-CB 3.45Å; Y92-Q95 PolarHBondContact O-N 3.17Å; Y92-V96 HydrophobicContact CD1-CG2 4.28Å; Y92-V96 HydrophobicContact CE1-CG2 3.88Å; Y92-V96 WeakPolarHBondContact O-CG2 3.45Å; Y92-V96 PolarHBondContact O-N 3.29Å
93T97.9Very high97.1Very high70 Ų7050 Ų5043%0.42926%0.26SS..Hα-helixtrans-64.2-39.9177.1-56.90000111.8I89 W90 L91 T97I89-T93 WeakPolarHBondContact O-CB 3.45Å; I89-T93 PolarHBondContact O-N 2.92Å; I89-T93 PolarHBondContact O-OG1 2.69Å; W90-T93 WeakPolarHBondContact O-CB 3.35Å; W90-T93 PolarHBondContact O-N 2.9Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.83Å; T93-T97 HydrophobicContact CG2-CG2 4.48Å; T93-T97 WeakPolarHBondContact O-CB 3.33Å; T93-T97 WeakPolarHBondContact O-CG2 3.44Å; T93-T97 PolarHBondContact O-N 2.94Å; T93-T97 PolarHBondContact O-OG1 3.29Å
94I98.2Very high97.2Very high12 Ų1247.8 Ų47.86%0.06226%0.255CS..Hα-helixtrans-68.8-40.5175.6-66.8-52.5000112L50 W90 L91 Y92 T97 S98 A144 A145 A148 F149L50-I94 HydrophobicContact CG-CG2 4.48Å; W90-I94 HydrophobicContact CE3-CG1 4.04Å; W90-I94 HydrophobicContact CZ3-CG1 4.31Å; W90-I94 WeakPolarHBondContact O-CG1 3.34Å; W90-I94 PolarHBondContact O-N 3.04Å; L91-I94 PolarHBondContact O-N 3.18Å; Y92-I94 PolarHBondContact O-N 2.99Å; I94-T97 WeakPolarHBondContact CA-OG1 3.35Å; I94-T97 PolarHBondContact O-OG1 3.4Å; I94-S98 WeakPolarHBondContact O-CB 3.29Å; I94-S98 PolarHBondContact O-N 2.94Å; I94-S98 PolarHBondContact O-OG 2.98Å; I94-A144 HydrophobicContact CD1-CB 4.07Å; I94-A145 HydrophobicContact CG2-CB 3.67Å; I94-A148 HydrophobicContact CD1-CB 3.87Å; I94-A148 HydrophobicContact CG1-CB 3.67Å; I94-F149 HydrophobicContact CG2-CE2 4.19Å
95Q98.1Very high97.4Very high2 Ų241.3 Ų41.31%0.00922%0.221CC..Hα-helixtrans-56.6-51.1173.2-80.9165.64.500111.3L50 W51 Y75 N87 L91 Y92 S99L50-Q95 WeakPolarHBondContact O-CG 3.43Å; L50-Q95 PolarHBondContact O-NE2 3.01Å; W51-Q95 HydrophobicContact CD2-CG 4.43Å; W51-Q95 HydrophobicContact CE3-CG 4.03Å; W51-Q95 HydrophobicContact CH2-CB 3.6Å; W51-Q95 HydrophobicContact CH2-CG 3.91Å; W51-Q95 HydrophobicContact CZ2-CB 4.08Å; W51-Q95 HydrophobicContact CZ2-CG 4.26Å; W51-Q95 HydrophobicContact CZ3-CB 3.88Å; W51-Q95 HydrophobicContact CZ3-CG 3.77Å; Y75-Q95 PolarHBondContact OH-OE1 3.01Å; N87-Q95 PolarHBondContact OD1-NE2 3.32Å; N87-Q95 PolarHBondContact OD1-OE1 3.42Å; L91-Q95 WeakPolarHBondContact O-CB 3.41Å; L91-Q95 WeakPolarHBondContact O-CG 3.5Å; L91-Q95 PolarHBondContact O-N 3.48Å; Y92-Q95 WeakPolarHBondContact O-CB 3.45Å; Y92-Q95 PolarHBondContact O-N 3.17Å; Q95-S99 WeakPolarHBondContact O-CB 3.3Å; Q95-S99 PolarHBondContact O-N 2.62Å; Q95-S99 PolarHBondContact O-OG 2.86Å
96V98.1Very high97.6Very high68 Ų6843.7 Ų43.741%0.41223%0.232SC..Hα-helixtrans-64.9-50.6-179.9173.60000111.4Y92 S98 S99 C100Y92-V96 HydrophobicContact CD1-CG2 4.28Å; Y92-V96 HydrophobicContact CE1-CG2 3.88Å; Y92-V96 WeakPolarHBondContact O-CG2 3.45Å; Y92-V96 PolarHBondContact O-N 3.29Å; V96-S98 PolarHBondContact O-N 3.48Å; V96-S99 WeakPolarHBondContact O-CB 3.46Å; V96-S99 PolarHBondContact O-N 2.89Å; V96-C100 PolarHBondContact O-N 3.16Å; V96-C100 VanDerWaalsContact O-N 3.1Å; V96-C100 PolarHBondContact O-SG 2.92Å
97T98Very high97.8Very high49 Ų4947.5 Ų47.530%0.30125%0.252SS..Hα-helixtrans-65.7-39.3-178.451.20000112.6T93 I94 S99 C100 G101 T141T93-T97 HydrophobicContact CG2-CG2 4.48Å; T93-T97 WeakPolarHBondContact O-CB 3.33Å; T93-T97 WeakPolarHBondContact O-CG2 3.44Å; T93-T97 PolarHBondContact O-N 2.94Å; T93-T97 PolarHBondContact O-OG1 3.29Å; I94-T97 WeakPolarHBondContact CA-OG1 3.35Å; I94-T97 PolarHBondContact O-OG1 3.4Å; T97-S99 VanDerWaalsContact C-N 3.34Å; T97-C100 PolarHBondContact O-N 3.18Å; T97-G101 PolarHBondContact O-N 3.47Å; T97-T141 VanDerWaalsContact O-CG2 3.28Å; T97-T141 WeakPolarHBondContact O-CG2 3.41Å
98S98.1Very high97.9Very high9 Ų946.6 Ų46.66%0.06325%0.247CC..Hα-helixtrans-67.1-34.2174.5-53.70000112.2I94 V96 G101 V102I94-S98 WeakPolarHBondContact O-CB 3.29Å; I94-S98 PolarHBondContact O-N 2.94Å; I94-S98 PolarHBondContact O-OG 2.98Å; V96-S98 PolarHBondContact O-N 3.48Å; S98-G101 PolarHBondContact O-N 3.22Å; S98-V102 WeakPolarHBondContact O-CB 3.06Å; S98-V102 WeakPolarHBondContact O-CG2 3.38Å; S98-V102 PolarHBondContact O-N 3.18Å
99S98.3Very high97.9Very high40 Ų4046.7 Ų46.728%0.2825%0.246SC..Hα-helixtrans-61.4-45.4173.4-59.60000111.4W51 Q95 V96 T97 V102 L103W51-S99 VanDerWaalsContact CZ2-OG 3.3Å; W51-S99 WeakPolarHBondContact CZ2-OG 3.47Å; Q95-S99 WeakPolarHBondContact O-CB 3.3Å; Q95-S99 PolarHBondContact O-N 2.62Å; Q95-S99 PolarHBondContact O-OG 2.86Å; V96-S99 WeakPolarHBondContact O-CB 3.46Å; V96-S99 PolarHBondContact O-N 2.89Å; T97-S99 VanDerWaalsContact C-N 3.34Å; S99-V102 PolarHBondContact O-N 3.42Å; S99-L103 WeakPolarHBondContact O-CB 3.38Å; S99-L103 PolarHBondContact O-N 2.88Å
100C98.4Very high98Very high58 Ų5846.6 Ų46.639%0.39224%0.241SC..Hα-helixtrans-62.2-43.1174.5-64.20000111.6V96 T97 L103 V104 F137V96-C100 PolarHBondContact O-N 3.16Å; V96-C100 VanDerWaalsContact O-N 3.1Å; V96-C100 PolarHBondContact O-SG 2.92Å; T97-C100 PolarHBondContact O-N 3.18Å; C100-L103 PolarHBondContact O-N 2.92Å; C100-V104 WeakPolarHBondContact O-CB 3.48Å; C100-V104 WeakPolarHBondContact O-CG2 3.46Å; C100-V104 PolarHBondContact O-N 3.22Å; C100-F137 HydrophobicContact CB-CE1 4.03Å; C100-F137 HydrophobicContact CB-CZ 4.01Å
101G98.3Very high98.1Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-61.4-46.8177.100000113T97 S98 V104 Q105 T138 T141T97-G101 PolarHBondContact O-N 3.47Å; S98-G101 PolarHBondContact O-N 3.22Å; G101-V104 PolarHBondContact O-N 3.49Å; G101-Q105 WeakPolarHBondContact O-CB 3.43Å; G101-Q105 PolarHBondContact O-N 3.18Å; G101-T138 PolarHBondContact O-OG1 3.14Å; G101-T141 WeakPolarHBondContact CA-OG1 3.42Å
102V98.2Very high98.1Very high11 Ų1145 Ų457%0.06724%0.236CC..Hα-helixtrans-61.5-46175.3167.70000111.1F29 S98 S99 V104 Q105 F106F29-V102 HydrophobicContact CB-CG2 4.09Å; F29-V102 HydrophobicContact CD1-CG2 4.34Å; F29-V102 HydrophobicContact CD2-CG2 3.73Å; F29-V102 HydrophobicContact CE2-CG2 4.17Å; F29-V102 HydrophobicContact CG-CG2 3.82Å; S98-V102 WeakPolarHBondContact O-CB 3.06Å; S98-V102 WeakPolarHBondContact O-CG2 3.38Å; S98-V102 PolarHBondContact O-N 3.18Å; S99-V102 PolarHBondContact O-N 3.42Å; V102-V104 PolarHBondContact O-N 3.38Å; V102-Q105 PolarHBondContact O-N 2.99Å; V102-F106 HydrophobicContact CG1-CD2 3.73Å; V102-F106 HydrophobicContact CG1-CE2 3.63Å; V102-F106 VanDerWaalsContact O-CD2 3.31Å; V102-F106 WeakPolarHBondContact O-CD2 3.27Å; V102-F106 PolarHBondContact O-N 3.03Å
103L98.3Very high98.1Very high110 Ų11043.8 Ų43.858%0.57624%0.237SC*.Hα-helixtrans-59.9-42.8177.2-18062.1000112.3S99 C100 F106 L107S99-L103 WeakPolarHBondContact O-CB 3.38Å; S99-L103 PolarHBondContact O-N 2.88Å; C100-L103 PolarHBondContact O-N 2.92Å; L103-F106 WeakPolarHBondContact O-CB 3.23Å; L103-F106 PolarHBondContact O-N 3.44Å; L103-L107 PolarHBondContact O-N 3.47Å
104V98.4Very high98.1Very high33 Ų3341.4 Ų41.420%0.222%0.223CC..Hα-helixtrans-65.4-43175.3169.10000111.1C100 G101 V102 F106 L107 V108 G134 F137C100-V104 WeakPolarHBondContact O-CB 3.48Å; C100-V104 WeakPolarHBondContact O-CG2 3.46Å; C100-V104 PolarHBondContact O-N 3.22Å; G101-V104 PolarHBondContact O-N 3.49Å; V102-V104 PolarHBondContact O-N 3.38Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 2.98Å; V104-L107 PolarHBondContact O-N 2.8Å; V104-L107 VanDerWaalsContact O-N 3.14Å; V104-V108 HydrophobicContact CG1-CG2 4.47Å; V104-V108 WeakPolarHBondContact O-CG2 3.28Å; V104-V108 PolarHBondContact O-N 3.02Å; V104-G134 VanDerWaalsContact CG1-CA 3.43Å; V104-F137 HydrophobicContact CB-CD1 4.02Å; V104-F137 HydrophobicContact CB-CE1 4.41Å; V104-F137 HydrophobicContact CG1-CD1 4.12Å; V104-F137 HydrophobicContact CG2-CD1 3.86Å; V104-F137 HydrophobicContact CG2-CE1 3.94Å
105Q98Very high98Very high0 Ų041 Ų410%022%0.221CC..Hα-helixtrans-65.4-32.2176.6-172.169.115.800112.5T18 F22 G101 V102 V108 M109 H135 T138T18-Q105 PolarHBondContact O-NE2 3.38Å; F22-Q105 HydrophobicContact CB-CG 4.06Å; F22-Q105 HydrophobicContact CD2-CG 4.06Å; G101-Q105 WeakPolarHBondContact O-CB 3.43Å; G101-Q105 PolarHBondContact O-N 3.18Å; V102-Q105 PolarHBondContact O-N 2.99Å; Q105-V108 PolarHBondContact O-N 3.4Å; Q105-M109 WeakPolarHBondContact O-CB 3.34Å; Q105-M109 PolarHBondContact O-N 3.16Å; Q105-H135 PolarHBondContact OE1-ND1 2.84Å; Q105-H135 VanDerWaalsContact OE1-ND1 3.11Å; Q105-T138 HydrophobicContact CB-CG2 3.9Å; Q105-T138 HydrophobicContact CG-CG2 4.27Å
106F98.3Very high97.9Very high90 Ų9044.5 Ų44.540%0.39524%0.243SC..Hα-helixtrans-60.3-45.9169-93.7-76.7000111.6F22 F26 V102 L103 V104 M109 F110F22-F106 AromaticContact CE2-CD1 3.6Å; F22-F106 HydrophobicContact CE2-CD1 3.6Å; F22-F106 AromaticContact CE2-CD2 3.93Å; F22-F106 HydrophobicContact CE2-CD2 3.93Å; F22-F106 AromaticContact CE2-CE1 3.59Å; F22-F106 HydrophobicContact CE2-CE1 3.59Å; F22-F106 AromaticContact CE2-CE2 3.9Å; F22-F106 HydrophobicContact CE2-CE2 3.9Å; F22-F106 AromaticContact CE2-CG 3.77Å; F22-F106 HydrophobicContact CE2-CG 3.77Å; F22-F106 AromaticContact CE2-CZ 3.73Å; F22-F106 HydrophobicContact CE2-CZ 3.73Å; F22-F106 AromaticContact CZ-CD1 3.79Å; F22-F106 HydrophobicContact CZ-CD1 3.79Å; F22-F106 AromaticContact CZ-CE1 3.41Å; F22-F106 HydrophobicContact CZ-CE1 3.41Å; F22-F106 VanDerWaalsContact CZ-CE1 3.41Å; F22-F106 HydrophobicContact CZ-CE2 4.35Å; F22-F106 HydrophobicContact CZ-CG 4.42Å; F22-F106 AromaticContact CZ-CZ 3.72Å; F22-F106 HydrophobicContact CZ-CZ 3.72Å; F26-F106 HydrophobicContact CD2-CE2 4.09Å; F26-F106 AromaticContact CD2-CZ 4Å; F26-F106 HydrophobicContact CD2-CZ 4Å; F26-F106 HydrophobicContact CE2-CE2 4.38Å; F26-F106 HydrophobicContact CE2-CZ 4.11Å; V102-F106 HydrophobicContact CG1-CD2 3.73Å; V102-F106 HydrophobicContact CG1-CE2 3.63Å; V102-F106 VanDerWaalsContact O-CD2 3.31Å; V102-F106 WeakPolarHBondContact O-CD2 3.27Å; V102-F106 PolarHBondContact O-N 3.03Å; L103-F106 WeakPolarHBondContact O-CB 3.23Å; L103-F106 PolarHBondContact O-N 3.44Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 2.98Å; F106-M109 PolarHBondContact O-N 3.35Å; F106-F110 WeakPolarHBondContact O-CB 3.45Å; F106-F110 PolarHBondContact O-N 3.28Å
107L98.4Very high97.8Very high83 Ų8345.2 Ų45.244%0.43526%0.256SS..Hα-helixtrans-65.5-40.1177.4-66.1173.1000112.1L103 V104 F110 I111 F130L103-L107 PolarHBondContact O-N 3.47Å; V104-L107 PolarHBondContact O-N 2.8Å; V104-L107 VanDerWaalsContact O-N 3.14Å; L107-F110 PolarHBondContact O-N 3.11Å; L107-I111 WeakPolarHBondContact O-CG1 3.43Å; L107-I111 PolarHBondContact O-N 2.99Å; L107-F130 HydrophobicContact CB-CE1 3.96Å; L107-F130 HydrophobicContact CB-CZ 3.98Å; L107-F130 HydrophobicContact CD1-CZ 4.29Å
108V98.5Very high97.7Very high0 Ų045.8 Ų45.80%027%0.271CS..Hα-helixtrans-61.5-47173.5173.40000110.8T18 V104 Q105 F110 I111 V112 F130 I131 H135T18-V108 HydrophobicContact CG2-CG1 4.19Å; V104-V108 HydrophobicContact CG1-CG2 4.47Å; V104-V108 WeakPolarHBondContact O-CG2 3.28Å; V104-V108 PolarHBondContact O-N 3.02Å; Q105-V108 PolarHBondContact O-N 3.4Å; V108-F110 VanDerWaalsContact C-N 3.33Å; V108-F110 PolarHBondContact O-N 2.67Å; V108-I111 PolarHBondContact O-N 2.98Å; V108-V112 HydrophobicContact CG1-CG2 4.41Å; V108-V112 WeakPolarHBondContact O-CG2 3.25Å; V108-V112 PolarHBondContact O-N 3.43Å; V108-F130 HydrophobicContact CG2-CD1 4.18Å; V108-F130 HydrophobicContact CG2-CE1 3.87Å; V108-I131 HydrophobicContact CG1-CB 4.35Å; V108-I131 HydrophobicContact CG1-CG1 4.25Å; V108-I131 HydrophobicContact CG1-CG2 4.01Å; V108-H135 VanDerWaalsContact CG1-CE1 3.49Å; V108-H135 WeakPolarHBondContact CG1-CE1 3.47Å
109M98.2Very high97.5Very high30 Ų3049.3 Ų49.315%0.14830%0.301CS..Hα-helixtrans-60.4-40.8176.9-174.662.5-178.200111.9T18 A19 F22 Q105 F106 V112 L113T18-M109 HydrophobicContact CG2-CB 4.36Å; T18-M109 HydrophobicContact CG2-SD 3.74Å; A19-M109 HydrophobicContact CB-CE 3.75Å; A19-M109 HydrophobicContact CB-SD 4.2Å; F22-M109 HydrophobicContact CD1-CG 4.19Å; F22-M109 HydrophobicContact CD2-CB 4.47Å; F22-M109 HydrophobicContact CG-CB 4.38Å; F22-M109 HydrophobicContact CG-CG 4.25Å; Q105-M109 WeakPolarHBondContact O-CB 3.34Å; Q105-M109 PolarHBondContact O-N 3.16Å; F106-M109 PolarHBondContact O-N 3.35Å; M109-V112 PolarHBondContact O-N 2.81Å; M109-L113 HydrophobicContact CE-CD1 4.04Å; M109-L113 HydrophobicContact CE-CD2 4.07Å; M109-L113 HydrophobicContact CE-CG 4Å; M109-L113 HydrophobicContact CG-CD1 4.24Å; M109-L113 WeakPolarHBondContact O-CB 3.4Å; M109-L113 VanDerWaalsContact O-CG 3.3Å; M109-L113 WeakPolarHBondContact O-CG 3.3Å; M109-L113 PolarHBondContact O-N 3.45Å
110F98.1Very high97.3Very high134 Ų13449.6 Ų49.659%0.58830%0.299SS*.Hα-helixtrans-61.9-43.7175.9176.2-97.7000112.9F106 L107 V108 L113 S114F106-F110 WeakPolarHBondContact O-CB 3.45Å; F106-F110 PolarHBondContact O-N 3.28Å; L107-F110 PolarHBondContact O-N 3.11Å; V108-F110 VanDerWaalsContact C-N 3.33Å; V108-F110 PolarHBondContact O-N 2.67Å; F110-L113 PolarHBondContact O-N 2.7Å; F110-S114 WeakPolarHBondContact O-CB 3.27Å; F110-S114 PolarHBondContact O-N 2.97Å; F110-S114 PolarHBondContact O-OG 2.94Å
111I97.9Very high97Very high27 Ų2750 Ų5014%0.13830%0.302CS..Hα-helixtrans-67.6-42.8177.4-66163.9000110.7L107 V108 L113 S114 Q115 I120 F130 I131L107-I111 WeakPolarHBondContact O-CG1 3.43Å; L107-I111 PolarHBondContact O-N 2.99Å; V108-I111 PolarHBondContact O-N 2.98Å; I111-L113 PolarHBondContact O-N 3.47Å; I111-S114 WeakPolarHBondContact O-CB 3.38Å; I111-S114 PolarHBondContact O-N 3.4Å; I111-S114 VanDerWaalsContact O-N 3.15Å; I111-Q115 WeakPolarHBondContact O-CG 3.37Å; I111-Q115 PolarHBondContact O-N 2.92Å; I111-I120 HydrophobicContact CG2-CD1 4.3Å; I111-F130 HydrophobicContact CD1-CD1 3.35Å; I111-F130 HydrophobicContact CD1-CE1 3.67Å; I111-F130 HydrophobicContact CD1-CG 4.06Å; I111-I131 HydrophobicContact CG2-CD1 4.01Å; I111-I131 HydrophobicContact CG2-CG1 4.21Å
112V97.5Very high96.7Very high2 Ų254.3 Ų54.31%0.01232%0.321CS..Hα-helixtrans-62.5-42.2176.3170.40000111.3I14 V15 T18 V108 M109 S114 Q115 V116 I131I14-V112 HydrophobicContact CG2-CG2 4.33Å; V15-V112 HydrophobicContact CB-CG1 4.33Å; V15-V112 HydrophobicContact CG2-CG1 3.76Å; T18-V112 HydrophobicContact CG2-CB 4.31Å; T18-V112 HydrophobicContact CG2-CG1 4.42Å; T18-V112 HydrophobicContact CG2-CG2 4.17Å; V108-V112 HydrophobicContact CG1-CG2 4.41Å; V108-V112 WeakPolarHBondContact O-CG2 3.25Å; V108-V112 PolarHBondContact O-N 3.43Å; M109-V112 PolarHBondContact O-N 2.81Å; V112-S114 VanDerWaalsContact C-N 3.35Å; V112-S114 PolarHBondContact O-N 3.49Å; V112-Q115 PolarHBondContact O-N 3.23Å; V112-V116 WeakPolarHBondContact O-CG2 3.33Å; V112-V116 PolarHBondContact O-N 3.38Å; V112-I131 HydrophobicContact CG2-CD1 3.76Å; V112-I131 HydrophobicContact CG2-CG1 4.05Å; V112-I131 HydrophobicContact CG2-CG2 4.4Å
113L97.4Very high96.2Very high92 Ų9256.6 Ų56.648%0.48234%0.338SS..Hα-helixtrans-62.8-39.3172.4-74.3173.4000112.3M109 F110 I111 Q115 V116 A117M109-L113 HydrophobicContact CE-CD1 4.04Å; M109-L113 HydrophobicContact CE-CD2 4.07Å; M109-L113 HydrophobicContact CE-CG 4Å; M109-L113 HydrophobicContact CG-CD1 4.24Å; M109-L113 WeakPolarHBondContact O-CB 3.4Å; M109-L113 VanDerWaalsContact O-CG 3.3Å; M109-L113 WeakPolarHBondContact O-CG 3.3Å; M109-L113 PolarHBondContact O-N 3.45Å; F110-L113 PolarHBondContact O-N 2.7Å; I111-L113 PolarHBondContact O-N 3.47Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 3.41Å; L113-V116 WeakPolarHBondContact O-CB 3.13Å; L113-V116 PolarHBondContact O-N 3.24Å; L113-V116 VanDerWaalsContact O-N 3.14Å; L113-A117 WeakPolarHBondContact O-CB 3.12Å; L113-A117 PolarHBondContact O-N 2.84Å
114S97.4Very high95.9Very high19 Ų1953.7 Ų53.713%0.13332%0.323CS..Hα-helixtrans-64.3-33.7175.3-58.80000112.4F110 I111 V112 G118 A119 I120F110-S114 WeakPolarHBondContact O-CB 3.27Å; F110-S114 PolarHBondContact O-N 2.97Å; F110-S114 PolarHBondContact O-OG 2.94Å; I111-S114 WeakPolarHBondContact O-CB 3.38Å; I111-S114 PolarHBondContact O-N 3.4Å; I111-S114 VanDerWaalsContact O-N 3.15Å; V112-S114 VanDerWaalsContact C-N 3.35Å; V112-S114 PolarHBondContact O-N 3.49Å; S114-G118 PolarHBondContact O-N 3.35Å; S114-G118 VanDerWaalsContact O-N 3.14Å; S114-A119 PolarHBondContact O-N 3.47Å; S114-I120 PolarHBondContact O-N 2.98Å
115Q96.5Very high95.7Very high4 Ų454.1 Ų54.12%0.01932%0.323CS..Hα-helixtrans-74.2-29.9171.3-71.7-178.5-30.700113.3F11 I111 V112 L113 I120 S121 K122F11-Q115 HydrophobicContact CE2-CB 3.75Å; F11-Q115 HydrophobicContact CZ-CB 3.89Å; I111-Q115 WeakPolarHBondContact O-CG 3.37Å; I111-Q115 PolarHBondContact O-N 2.92Å; V112-Q115 PolarHBondContact O-N 3.23Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 3.41Å; Q115-I120 WeakPolarHBondContact CA-O 3.28Å; Q115-I120 HydrophobicContact CG-CB 3.89Å; Q115-I120 HydrophobicContact CG-CG2 3.79Å; Q115-S121 PolarHBondContact NE2-O 2.76Å; Q115-K122 HydrophobicContact CB-CG 4.21Å; Q115-K122 WeakPolarHBondContact O-CE 3.35Å
116V96.4Very high95.6Very high76 Ų7662.3 Ų62.346%0.46136%0.359SS..Hα-helixtrans-67.6-44.3170.4170.90000110.5F11 V15 V112 L113 G118F11-V116 HydrophobicContact CE1-CG2 3.95Å; F11-V116 HydrophobicContact CZ-CG2 3.8Å; V15-V116 HydrophobicContact CG1-CG2 4.14Å; V15-V116 HydrophobicContact CG2-CG2 3.58Å; V112-V116 WeakPolarHBondContact O-CG2 3.33Å; V112-V116 PolarHBondContact O-N 3.38Å; L113-V116 WeakPolarHBondContact O-CB 3.13Å; L113-V116 PolarHBondContact O-N 3.24Å; L113-V116 VanDerWaalsContact O-N 3.14Å; V116-G118 PolarHBondContact O-N 2.96Å
117A96.2Very high95.5Very high83 Ų8358.7 Ų58.769%0.68635%0.345SS*.THydrogen-bonded Turntrans-72.7-9.617800000114.4L113 A119L113-A117 WeakPolarHBondContact O-CB 3.12Å; L113-A117 PolarHBondContact O-N 2.84Å; A117-A119 VanDerWaalsContact C-N 3.31Å; A117-A119 PolarHBondContact O-N 2.89Å
118G93.8Very high95.4Very high60 Ų6055 Ų5562%0.61933%0.325SS*.THydrogen-bonded Turntrans79.94.6-179.900000115.3S114 V116 I120S114-G118 PolarHBondContact O-N 3.35Å; S114-G118 VanDerWaalsContact O-N 3.14Å; V116-G118 PolarHBondContact O-N 2.96Å; G118-I120 VanDerWaalsContact C-N 3.29Å; G118-I120 PolarHBondContact O-N 2.96Å
119A95.5Very high95.4Very high83 Ų8362.9 Ų62.969%0.68636%0.355SS*.SBendtrans-72.3-22.3176.400000113.1S114 A117S114-A119 PolarHBondContact O-N 3.47Å; A117-A119 VanDerWaalsContact C-N 3.31Å; A117-A119 PolarHBondContact O-N 2.89Å
120I93.9Very high95.4Very high46 Ų4665 Ų6524%0.23636%0.364CS..SBendtrans-126.1139173.4-62.9-179.4000108.2I111 S114 Q115 G118 D124 S127I111-I120 HydrophobicContact CG2-CD1 4.3Å; S114-I120 PolarHBondContact O-N 2.98Å; Q115-I120 WeakPolarHBondContact CA-O 3.28Å; Q115-I120 HydrophobicContact CG-CB 3.89Å; Q115-I120 HydrophobicContact CG-CG2 3.79Å; G118-I120 VanDerWaalsContact C-N 3.29Å; G118-I120 PolarHBondContact O-N 2.96Å; I120-D124 HydrophobicContact CG2-CB 4.39Å; I120-S127 WeakPolarHBondContact CG2-OG 3.34Å
121S92.4Very high95.4Very high66 Ų6658.6 Ų58.646%0.46234%0.336SS..  trans-66.4139175.4-174.30000111.6Q115 S123 D124Q115-S121 PolarHBondContact NE2-O 2.76Å; S121-S123 PolarHBondContact O-N 2.95Å; S121-S123 PolarHBondContact OG-N 3.43Å; S121-S123 VanDerWaalsContact OG-N 3.08Å; S121-S123 PolarHBondContact OG-OG 3.48Å; S121-D124 PolarHBondContact O-N 3.41Å; S121-D124 VanDerWaalsContact O-N 3.11Å
122K90.4Very high95.4Very high91 Ų9157.6 Ų57.640%0.39633%0.331SS..THydrogen-bonded Turntrans-65.6-19.4170.2-60.4174.1-174.4178.30111.9F11 Q115F11-K122 HydrophobicContact CD1-CD 3.86Å; F11-K122 HydrophobicContact CD2-CB 4.24Å; F11-K122 HydrophobicContact CD2-CD 3.92Å; F11-K122 HydrophobicContact CD2-CG 3.87Å; F11-K122 HydrophobicContact CE1-CD 3.87Å; F11-K122 VanDerWaalsContact CE1-CE 3.42Å; F11-K122 HydrophobicContact CE1-CG 4.49Å; F11-K122 HydrophobicContact CE2-CB 4.43Å; F11-K122 HydrophobicContact CE2-CD 3.94Å; F11-K122 HydrophobicContact CE2-CG 3.7Å; F11-K122 HydrophobicContact CG-CD 3.89Å; F11-K122 HydrophobicContact CG-CG 4.36Å; F11-K122 HydrophobicContact CZ-CD 3.91Å; F11-K122 HydrophobicContact CZ-CG 4.03Å; Q115-K122 HydrophobicContact CB-CG 4.21Å; Q115-K122 WeakPolarHBondContact O-CE 3.35Å
123S87.9Confident95.4Very high60 Ų6060.5 Ų60.542%0.4235%0.352SS..THydrogen-bonded Turntrans-101.315.1173.569.20000113.8S121 L125S121-S123 PolarHBondContact O-N 2.95Å; S121-S123 PolarHBondContact OG-N 3.43Å; S121-S123 VanDerWaalsContact OG-N 3.08Å; S121-S123 PolarHBondContact OG-OG 3.48Å; S123-L125 PolarHBondContact O-N 3.35Å
124D92.8Very high95.5Very high49 Ų4956.2 Ų56.226%0.26233%0.33SS..  trans-74109.1167.5172.334.2000110.3I120 S121 K126 S127 L128I120-D124 HydrophobicContact CG2-CB 4.39Å; S121-D124 PolarHBondContact O-N 3.41Å; S121-D124 VanDerWaalsContact O-N 3.11Å; D124-K126 PolarHBondContact O-N 2.88Å; D124-K126 WeakPolarHBondContact OD1-CB 3.28Å; D124-K126 PolarHBondContact OD1-N 3.37Å; D124-S127 PolarHBondContact O-N 3.44Å; D124-S127 WeakPolarHBondContact OD2-CB 3.3Å; D124-S127 PolarHBondContact OD2-N 2.95Å; D124-S127 PolarHBondContact OD2-OG 2.91Å; D124-L128 WeakPolarHBondContact O-CB 3.47Å; D124-L128 PolarHBondContact O-N 2.85Å
125L94.2Very high95.5Very high41 Ų4155.3 Ų55.322%0.21532%0.323CS..Hα-helixtrans-62.1-26.8179-166.467.2000112.6S123 R129 Y192 L195 M199S123-L125 PolarHBondContact O-N 3.35Å; L125-R129 VanDerWaalsContact O-CB 3.25Å; L125-R129 WeakPolarHBondContact O-CB 3.42Å; L125-R129 PolarHBondContact O-N 2.69Å; L125-Y192 HydrophobicContact CD1-CD2 3.53Å; L125-Y192 HydrophobicContact CD1-CE2 3.54Å; L125-Y192 HydrophobicContact CD1-CG 4.44Å; L125-Y192 HydrophobicContact CG-CD2 4.23Å; L125-Y192 HydrophobicContact CG-CE2 3.81Å; L125-L195 HydrophobicContact CD1-CB 4.25Å; L125-L195 HydrophobicContact CD1-CD2 4.12Å; L125-L195 HydrophobicContact CD1-CG 4.14Å; L125-M199 HydrophobicContact CB-SD 4.08Å; L125-M199 HydrophobicContact CD2-SD 4.13Å
126K96Very high95.6Very high172 Ų17260.4 Ų60.475%0.74835%0.346SS*.Hα-helixtrans-70.3-51.4176.5-64.4174.7179.1172.90111D124 L128 R129 F130D124-K126 PolarHBondContact O-N 2.88Å; D124-K126 WeakPolarHBondContact OD1-CB 3.28Å; D124-K126 PolarHBondContact OD1-N 3.37Å; K126-L128 VanDerWaalsContact C-N 3.35Å; K126-L128 PolarHBondContact O-N 3.49Å; K126-R129 PolarHBondContact O-N 2.97Å; K126-F130 PolarHBondContact O-N 3.45Å
127S96.6Very high95.7Very high14 Ų1460.7 Ų60.710%0.09834%0.341CS..Hα-helixtrans-59.2-44.4175-650000111.7I120 D124 R129 F130 I131I120-S127 WeakPolarHBondContact CG2-OG 3.34Å; D124-S127 PolarHBondContact O-N 3.44Å; D124-S127 WeakPolarHBondContact OD2-CB 3.3Å; D124-S127 PolarHBondContact OD2-N 2.95Å; D124-S127 PolarHBondContact OD2-OG 2.91Å; S127-R129 PolarHBondContact O-N 3.07Å; S127-F130 WeakPolarHBondContact O-CB 3.4Å; S127-F130 PolarHBondContact O-N 2.83Å; S127-I131 VanDerWaalsContact O-CG1 3.28Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 2.7Å
128L96.2Very high95.8Very high5 Ų556.7 Ų56.73%0.02631%0.308CS..Hα-helixtrans-66.5-38.2179.7-173.756.7000112.7D124 K126 I131 A132 T191 L195D124-L128 WeakPolarHBondContact O-CB 3.47Å; D124-L128 PolarHBondContact O-N 2.85Å; K126-L128 VanDerWaalsContact C-N 3.35Å; K126-L128 PolarHBondContact O-N 3.49Å; L128-I131 PolarHBondContact O-N 3.42Å; L128-A132 PolarHBondContact O-N 3.27Å; L128-T191 HydrophobicContact CD2-CG2 3.89Å; L128-L195 HydrophobicContact CD2-CB 4.46Å; L128-L195 HydrophobicContact CD2-CD2 3.87Å
129R97.3Very high96Very high167 Ų16754 Ų5463%0.6328%0.28SS*.Hα-helixtrans-59.8-44.8170-174.7176.3170.4179.7-2.4111.5L125 K126 S127 S133 Y192L125-R129 VanDerWaalsContact O-CB 3.25Å; L125-R129 WeakPolarHBondContact O-CB 3.42Å; L125-R129 PolarHBondContact O-N 2.69Å; K126-R129 PolarHBondContact O-N 2.97Å; S127-R129 PolarHBondContact O-N 3.07Å; R129-S133 WeakPolarHBondContact O-CB 3.29Å; R129-S133 PolarHBondContact O-N 2.99Å; R129-S133 PolarHBondContact O-OG 3.17Å; R129-Y192 HydrophobicContact CB-CD2 3.96Å; R129-Y192 HydrophobicContact CB-CE2 3.62Å; R129-Y192 HydrophobicContact CG-CE2 4.02Å
130F98.2Very high96.2Very high74 Ų7455.1 Ų55.133%0.32527%0.274SS..Hα-helixtrans-61.7-51.1177.7-174.9-87.1000111.1L107 V108 I111 K126 S127 A132 S133 G134L107-F130 HydrophobicContact CB-CE1 3.96Å; L107-F130 HydrophobicContact CB-CZ 3.98Å; L107-F130 HydrophobicContact CD1-CZ 4.29Å; V108-F130 HydrophobicContact CG2-CD1 4.18Å; V108-F130 HydrophobicContact CG2-CE1 3.87Å; I111-F130 HydrophobicContact CD1-CD1 3.35Å; I111-F130 HydrophobicContact CD1-CE1 3.67Å; I111-F130 HydrophobicContact CD1-CG 4.06Å; K126-F130 PolarHBondContact O-N 3.45Å; S127-F130 WeakPolarHBondContact O-CB 3.4Å; S127-F130 PolarHBondContact O-N 2.83Å; F130-A132 PolarHBondContact O-N 3.47Å; F130-S133 PolarHBondContact O-N 3.35Å; F130-S133 PolarHBondContact O-OG 2.97Å; F130-G134 PolarHBondContact O-N 3.31Å
131I98.1Very high96.4Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-52.5-51.6177.6-68.3162.1000111I14 V108 I111 V112 S127 L128 S133 G134 H135 S188I14-I131 HydrophobicContact CG2-CG2 4.4Å; V108-I131 HydrophobicContact CG1-CB 4.35Å; V108-I131 HydrophobicContact CG1-CG1 4.25Å; V108-I131 HydrophobicContact CG1-CG2 4.01Å; I111-I131 HydrophobicContact CG2-CD1 4.01Å; I111-I131 HydrophobicContact CG2-CG1 4.21Å; V112-I131 HydrophobicContact CG2-CD1 3.76Å; V112-I131 HydrophobicContact CG2-CG1 4.05Å; V112-I131 HydrophobicContact CG2-CG2 4.4Å; S127-I131 VanDerWaalsContact O-CG1 3.28Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 2.7Å; L128-I131 PolarHBondContact O-N 3.42Å; I131-S133 PolarHBondContact O-N 3.43Å; I131-G134 PolarHBondContact O-N 3.41Å; I131-H135 PolarHBondContact O-CD2 3.24Å; I131-H135 PolarHBondContact O-N 3Å; I131-S188 WeakPolarHBondContact CG2-OG 3.37Å
132A97.9Very high96.7Very high5 Ų550.6 Ų50.64%0.04125%0.245CC..Hα-helixtrans-60.4-47.4178.700000112.1L128 F130 G134 F136 F185L128-A132 PolarHBondContact O-N 3.27Å; F130-A132 PolarHBondContact O-N 3.47Å; A132-G134 PolarHBondContact O-N 3.42Å; A132-F136 PolarHBondContact O-N 3.08Å; A132-F185 WeakPolarHBondContact O-CD2 3.33Å
133S98.2Very high97.1Very high63 Ų6347.7 Ų47.744%0.44124%0.238SC..Hα-helixtrans-65.6-35.6179.168.70000113.4R129 F130 I131 F136 F137R129-S133 WeakPolarHBondContact O-CB 3.29Å; R129-S133 PolarHBondContact O-N 2.99Å; R129-S133 PolarHBondContact O-OG 3.17Å; F130-S133 PolarHBondContact O-N 3.35Å; F130-S133 PolarHBondContact O-OG 2.97Å; I131-S133 PolarHBondContact O-N 3.43Å; S133-F136 PolarHBondContact O-N 3.46Å; S133-F137 WeakPolarHBondContact O-CB 3.41Å; S133-F137 PolarHBondContact O-N 3.24Å
134G98.5Very high97.6Very high2 Ų246.8 Ų46.82%0.02123%0.234CC..Hα-helixtrans-72.4-39.9179.600000112.5V104 F130 I131 A132 T138V104-G134 VanDerWaalsContact CG1-CA 3.43Å; F130-G134 PolarHBondContact O-N 3.31Å; I131-G134 PolarHBondContact O-N 3.41Å; A132-G134 PolarHBondContact O-N 3.42Å; G134-T138 VanDerWaalsContact O-CB 3.29Å; G134-T138 WeakPolarHBondContact O-CB 3.16Å; G134-T138 PolarHBondContact O-N 3.41Å; G134-T138 PolarHBondContact O-OG1 2.84Å
135H98.6Very high97.8Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-64.8-39.3170.9-72.4-37.8000112.7T18 Q105 V108 I131 S139 G184 F185T18-H135 PolarHBondContact OG1-CE1 3.03Å; T18-H135 VanDerWaalsContact OG1-CE1 3.28Å; T18-H135 PolarHBondContact OG1-NE2 3.39Å; T18-H135 VanDerWaalsContact OG1-NE2 3.16Å; Q105-H135 PolarHBondContact OE1-ND1 2.84Å; Q105-H135 VanDerWaalsContact OE1-ND1 3.11Å; V108-H135 VanDerWaalsContact CG1-CE1 3.49Å; V108-H135 WeakPolarHBondContact CG1-CE1 3.47Å; I131-H135 PolarHBondContact O-CD2 3.24Å; I131-H135 PolarHBondContact O-N 3Å; H135-S139 VanDerWaalsContact O-CB 3.3Å; H135-S139 WeakPolarHBondContact O-CB 3.42Å; H135-S139 PolarHBondContact O-N 2.81Å; H135-S139 PolarHBondContact O-OG 3.43Å; H135-G184 VanDerWaalsContact CD2-C 3.46Å; H135-F185 HydrophobicContact CB-CB 3.71Å
136F98.6Very high98Very high112 Ų11243.1 Ų43.149%0.49122%0.215SC..Hα-helixtrans-61-51.3175178.9-103.7000111.3A132 S133 T138 S139 L140 F185A132-F136 PolarHBondContact O-N 3.08Å; S133-F136 PolarHBondContact O-N 3.46Å; F136-T138 PolarHBondContact O-N 3.17Å; F136-S139 PolarHBondContact O-N 2.91Å; F136-L140 PolarHBondContact O-N 3.19Å; F136-F185 HydrophobicContact CB-CD2 3.76Å; F136-F185 HydrophobicContact CB-CE2 3.88Å; F136-F185 HydrophobicContact CB-CG 4.22Å; F136-F185 HydrophobicContact CB-CZ 4.42Å; F136-F185 HydrophobicContact CD2-CD1 4.28Å; F136-F185 HydrophobicContact CD2-CD2 4.46Å; F136-F185 AromaticContact CD2-CE1 3.86Å; F136-F185 HydrophobicContact CD2-CE1 3.86Å; F136-F185 HydrophobicContact CD2-CE2 4.07Å; F136-F185 AromaticContact CD2-CZ 3.75Å; F136-F185 HydrophobicContact CD2-CZ 3.75Å; F136-F185 HydrophobicContact CE2-CZ 4.49Å; F136-F185 HydrophobicContact CG-CE2 4.29Å; F136-F185 HydrophobicContact CG-CZ 4.41Å
137F98.6Very high98.1Very high81 Ų8139.4 Ų39.436%0.35521%0.206SC..Hα-helixtrans-59.8-46.6177179.1-101.1000112.3C100 V104 S133 S139 L140 T141C100-F137 HydrophobicContact CB-CE1 4.03Å; C100-F137 HydrophobicContact CB-CZ 4.01Å; V104-F137 HydrophobicContact CB-CD1 4.02Å; V104-F137 HydrophobicContact CB-CE1 4.41Å; V104-F137 HydrophobicContact CG1-CD1 4.12Å; V104-F137 HydrophobicContact CG2-CD1 3.86Å; V104-F137 HydrophobicContact CG2-CE1 3.94Å; S133-F137 WeakPolarHBondContact O-CB 3.41Å; S133-F137 PolarHBondContact O-N 3.24Å; F137-S139 VanDerWaalsContact C-N 3.33Å; F137-S139 PolarHBondContact O-N 2.8Å; F137-L140 WeakPolarHBondContact O-CB 3.04Å; F137-L140 PolarHBondContact O-N 2.97Å; F137-T141 HydrophobicContact CD1-CG2 4.42Å; F137-T141 HydrophobicContact CE1-CG2 4Å; F137-T141 HydrophobicContact CE2-CG2 4.38Å; F137-T141 HydrophobicContact CZ-CG2 3.97Å; F137-T141 PolarHBondContact O-N 3.1Å
138T98.5Very high98.2Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-59.1-45177.1-55.60000111G101 Q105 G134 F136 L140 T141 L142 T181G101-T138 PolarHBondContact O-OG1 3.14Å; Q105-T138 HydrophobicContact CB-CG2 3.9Å; Q105-T138 HydrophobicContact CG-CG2 4.27Å; G134-T138 VanDerWaalsContact O-CB 3.29Å; G134-T138 WeakPolarHBondContact O-CB 3.16Å; G134-T138 PolarHBondContact O-N 3.41Å; G134-T138 PolarHBondContact O-OG1 2.84Å; F136-T138 PolarHBondContact O-N 3.17Å; T138-L140 VanDerWaalsContact C-N 3.31Å; T138-L140 PolarHBondContact O-N 3.43Å; T138-T141 PolarHBondContact O-N 3.33Å; T138-T141 PolarHBondContact O-OG1 3.47Å; T138-L142 HydrophobicContact CG2-CD1 3.99Å; T138-L142 PolarHBondContact O-N 2.68Å; T138-T181 HydrophobicContact CG2-CG2 4.18Å
139S98.5Very high98.2Very high4 Ų439.6 Ų39.63%0.02821%0.209CC..Hα-helixtrans-63.2-35.9178.3-55.40000112.2H135 F136 F137 A143 F178 T181 F182H135-S139 VanDerWaalsContact O-CB 3.3Å; H135-S139 WeakPolarHBondContact O-CB 3.42Å; H135-S139 PolarHBondContact O-N 2.81Å; H135-S139 PolarHBondContact O-OG 3.43Å; F136-S139 PolarHBondContact O-N 2.91Å; F137-S139 VanDerWaalsContact C-N 3.33Å; F137-S139 PolarHBondContact O-N 2.8Å; S139-A143 WeakPolarHBondContact O-CB 3.19Å; S139-A143 PolarHBondContact O-N 3.49Å; S139-F178 WeakPolarHBondContact O-CD2 3.48Å; S139-F178 WeakPolarHBondContact O-CE2 3.04Å; S139-T181 WeakPolarHBondContact OG-CB 3.2Å; S139-T181 PolarHBondContact OG-OG1 3.4Å; S139-F182 PolarHBondContact OG-N 3.05Å
140L98.5Very high98.2Very high106 Ų10633 Ų3356%0.55519%0.191SC*.Hα-helixtrans-65.6-43.8173.2-179.161.9000112.1F136 F137 T138 A143 A144F136-L140 PolarHBondContact O-N 3.19Å; F137-L140 WeakPolarHBondContact O-CB 3.04Å; F137-L140 PolarHBondContact O-N 2.97Å; T138-L140 VanDerWaalsContact C-N 3.31Å; T138-L140 PolarHBondContact O-N 3.43Å; L140-A143 PolarHBondContact O-N 2.87Å; L140-A144 PolarHBondContact O-N 3.01Å
141T98.3Very high98.1Very high10 Ų1034.2 Ų34.26%0.06120%0.204CC..Hα-helixtrans-65.5-39177.1610000112.4T97 G101 F137 T138 A144 A145T97-T141 VanDerWaalsContact O-CG2 3.28Å; T97-T141 WeakPolarHBondContact O-CG2 3.41Å; G101-T141 WeakPolarHBondContact CA-OG1 3.42Å; F137-T141 HydrophobicContact CD1-CG2 4.42Å; F137-T141 HydrophobicContact CE1-CG2 4Å; F137-T141 HydrophobicContact CE2-CG2 4.38Å; F137-T141 HydrophobicContact CZ-CG2 3.97Å; F137-T141 PolarHBondContact O-N 3.1Å; T138-T141 PolarHBondContact O-N 3.33Å; T138-T141 PolarHBondContact O-OG1 3.47Å; T141-A144 PolarHBondContact O-N 3.21Å; T141-A145 PolarHBondContact O-N 3.18Å
142L98.5Very high97.9Very high6 Ų634.6 Ų34.63%0.03121%0.207CC..Hα-helixtrans-64.4-45.7173.6-77.9165.3000111.7T138 A144 A145 L146 S177 F178 T181T138-L142 HydrophobicContact CG2-CD1 3.99Å; T138-L142 PolarHBondContact O-N 2.68Å; L142-A144 VanDerWaalsContact C-N 3.32Å; L142-A144 PolarHBondContact O-N 2.97Å; L142-A145 PolarHBondContact O-N 3.18Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.23Å; L142-L146 WeakPolarHBondContact O-CG 3.38Å; L142-L146 PolarHBondContact O-N 3.28Å; L142-S177 VanDerWaalsContact CD1-OG 3.3Å; L142-S177 WeakPolarHBondContact CD1-OG 3.45Å; L142-F178 HydrophobicContact CB-CB 4.14Å; L142-F178 HydrophobicContact CB-CD2 4.19Å; L142-F178 HydrophobicContact CD1-CB 4.43Å; L142-T181 HydrophobicContact CD1-CG2 4.25Å
143A98.5Very high97.7Very high30 Ų3035.6 Ų35.625%0.24821%0.21CC..Hα-helixtrans-59-43.5176.200000111.8S139 L140 L146 V147 F178S139-A143 WeakPolarHBondContact O-CB 3.19Å; S139-A143 PolarHBondContact O-N 3.49Å; L140-A143 PolarHBondContact O-N 2.87Å; A143-L146 PolarHBondContact O-N 2.76Å; A143-V147 WeakPolarHBondContact O-CB 3.21Å; A143-V147 VanDerWaalsContact O-CG2 3.3Å; A143-V147 WeakPolarHBondContact O-CG2 3.42Å; A143-V147 PolarHBondContact O-N 2.95Å; A143-F178 HydrophobicContact CB-CD2 4.27Å; A143-F178 HydrophobicContact CB-CE2 3.87Å
144A98.3Very high97.5Very high41 Ų4140.2 Ų40.234%0.33922%0.219SC..Hα-helixtrans-60.9-46.1175.700000112.1I94 L140 T141 L142 A148I94-A144 HydrophobicContact CD1-CB 4.07Å; L140-A144 PolarHBondContact O-N 3.01Å; T141-A144 PolarHBondContact O-N 3.21Å; L142-A144 VanDerWaalsContact C-N 3.32Å; L142-A144 PolarHBondContact O-N 2.97Å; A144-A148 WeakPolarHBondContact O-CB 3.39Å; A144-A148 PolarHBondContact O-N 3.42Å
145A98.3Very high97.3Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-63.2-46.417800000112.3W34 I94 T141 L142 A148 F149W34-A145 HydrophobicContact CH2-CB 3.83Å; W34-A145 HydrophobicContact CZ3-CB 4.13Å; I94-A145 HydrophobicContact CG2-CB 3.67Å; T141-A145 PolarHBondContact O-N 3.18Å; L142-A145 PolarHBondContact O-N 3.18Å; A145-A148 PolarHBondContact O-N 3.15Å; A145-F149 WeakPolarHBondContact O-CD2 3.34Å; A145-F149 PolarHBondContact O-N 3.41Å
146L98.5Very high96.9Very high13 Ų1346.4 Ų46.47%0.06826%0.258CS..Hα-helixtrans-62.1-50.1179.3-69.3169.7000111.5W34 L142 A143 A148 F149 A150 Y171 V175 F178W34-L146 HydrophobicContact CH2-CD2 4.43Å; W34-L146 HydrophobicContact CZ3-CD2 4.19Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.23Å; L142-L146 WeakPolarHBondContact O-CG 3.38Å; L142-L146 PolarHBondContact O-N 3.28Å; A143-L146 PolarHBondContact O-N 2.76Å; L146-A148 VanDerWaalsContact C-N 3.35Å; L146-A148 PolarHBondContact O-N 2.91Å; L146-F149 PolarHBondContact O-N 2.88Å; L146-A150 WeakPolarHBondContact O-CB 3.45Å; L146-A150 PolarHBondContact O-N 3.25Å; L146-Y171 HydrophobicContact CB-CE2 4.24Å; L146-Y171 HydrophobicContact CD2-CD1 4.41Å; L146-Y171 HydrophobicContact CD2-CD2 3.87Å; L146-Y171 HydrophobicContact CD2-CE1 4.12Å; L146-Y171 HydrophobicContact CD2-CE2 3.56Å; L146-Y171 HydrophobicContact CD2-CG 4.28Å; L146-Y171 WeakPolarHBondContact O-CE2 3.49Å; L146-Y171 PolarHBondContact O-OH 3.01Å; L146-V175 HydrophobicContact CD1-CG2 4.1Å; L146-V175 HydrophobicContact CD2-CG2 3.73Å; L146-F178 HydrophobicContact CD1-CB 3.87Å; L146-F178 HydrophobicContact CD1-CG 4.31Å
147V98.2Very high96.7Very high95 Ų9550.1 Ų50.158%0.57627%0.269SS*.Hα-helixtrans-61.3-43.4177.41720000111.2A143 A150 V151A143-V147 WeakPolarHBondContact O-CB 3.21Å; A143-V147 VanDerWaalsContact O-CG2 3.3Å; A143-V147 WeakPolarHBondContact O-CG2 3.42Å; A143-V147 PolarHBondContact O-N 2.95Å; V147-A150 PolarHBondContact O-N 3.08Å; V147-V151 WeakPolarHBondContact O-CG2 3.5Å; V147-V151 PolarHBondContact O-N 3.28Å
148A97.7Very high96.4Very high22 Ų2246.9 Ų46.918%0.18225%0.254CS..Hα-helixtrans-61.2-48.8179.400000112.4W90 I94 A144 A145 L146 V151 A152W90-A148 HydrophobicContact CE3-CB 3.85Å; W90-A148 HydrophobicContact CZ3-CB 3.94Å; I94-A148 HydrophobicContact CD1-CB 3.87Å; I94-A148 HydrophobicContact CG1-CB 3.67Å; A144-A148 WeakPolarHBondContact O-CB 3.39Å; A144-A148 PolarHBondContact O-N 3.42Å; A145-A148 PolarHBondContact O-N 3.15Å; L146-A148 VanDerWaalsContact C-N 3.35Å; L146-A148 PolarHBondContact O-N 2.91Å; A148-V151 PolarHBondContact O-N 3.39Å; A148-A152 WeakPolarHBondContact O-CB 3.38Å; A148-A152 PolarHBondContact O-N 3.35Å
149F97.1Very high96.2Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-67.8-35.6177.2-87.2-95.5000112.7W34 I35 L50 W90 L91 I94 A145 L146 V151 R153 W158 Y171W34-F149 HydrophobicContact CB-CD1 3.8Å; W34-F149 HydrophobicContact CB-CE1 3.76Å; W34-F149 HydrophobicContact CB-CZ 4.45Å; W34-F149 HydrophobicContact CD2-CD1 4.38Å; W34-F149 HydrophobicContact CD2-CD2 4.29Å; W34-F149 HydrophobicContact CD2-CE1 4.43Å; W34-F149 HydrophobicContact CD2-CE2 4.34Å; W34-F149 HydrophobicContact CD2-CG 4.31Å; W34-F149 HydrophobicContact CD2-CZ 4.41Å; W34-F149 HydrophobicContact CE3-CB 3.81Å; W34-F149 AromaticContact CE3-CD1 3.9Å; W34-F149 HydrophobicContact CE3-CD1 3.9Å; W34-F149 AromaticContact CE3-CD2 3.45Å; W34-F149 HydrophobicContact CE3-CD2 3.45Å; W34-F149 VanDerWaalsContact CE3-CD2 3.45Å; W34-F149 HydrophobicContact CE3-CE1 4.32Å; W34-F149 AromaticContact CE3-CE2 3.92Å; W34-F149 HydrophobicContact CE3-CE2 3.92Å; W34-F149 AromaticContact CE3-CG 3.44Å; W34-F149 HydrophobicContact CE3-CG 3.44Å; W34-F149 VanDerWaalsContact CE3-CG 3.44Å; W34-F149 HydrophobicContact CE3-CZ 4.32Å; W34-F149 HydrophobicContact CG-CD1 4.39Å; W34-F149 HydrophobicContact CG-CE1 4.23Å; W34-F149 HydrophobicContact CG-CZ 4.46Å; W34-F149 HydrophobicContact CZ3-CB 4.22Å; W34-F149 AromaticContact CZ3-CD2 3.71Å; W34-F149 HydrophobicContact CZ3-CD2 3.71Å; W34-F149 HydrophobicContact CZ3-CE2 4.28Å; W34-F149 HydrophobicContact CZ3-CG 4.04Å; I35-F149 HydrophobicContact CD1-CD1 3.8Å; I35-F149 HydrophobicContact CD1-CE1 4.46Å; I35-F149 HydrophobicContact CG1-CD1 4.12Å; L50-F149 HydrophobicContact CD1-CE2 3.66Å; L50-F149 HydrophobicContact CD1-CZ 3.92Å; L50-F149 HydrophobicContact CG-CE2 4.37Å; W90-F149 HydrophobicContact CH2-CD2 4.38Å; W90-F149 HydrophobicContact CH2-CE2 4.31Å; W90-F149 HydrophobicContact CH2-CZ 4.39Å; W90-F149 HydrophobicContact CZ3-CD2 4.13Å; W90-F149 HydrophobicContact CZ3-CE2 4.11Å; L91-F149 HydrophobicContact CD1-CE2 3.82Å; L91-F149 HydrophobicContact CD1-CZ 3.61Å; I94-F149 HydrophobicContact CG2-CE2 4.19Å; A145-F149 WeakPolarHBondContact O-CD2 3.34Å; A145-F149 PolarHBondContact O-N 3.41Å; L146-F149 PolarHBondContact O-N 2.88Å; F149-V151 VanDerWaalsContact C-N 3.33Å; F149-V151 PolarHBondContact O-N 2.92Å; F149-R153 WeakPolarHBondContact O-CB 3.16Å; F149-R153 WeakPolarHBondContact O-CG 3.38Å; F149-R153 PolarHBondContact O-N 2.95Å; F149-R153 VanDerWaalsContact O-N 3.11Å; F149-W158 HydrophobicContact CE1-CH2 4.32Å; F149-Y171 HydrophobicContact CB-CD2 4.28Å; F149-Y171 HydrophobicContact CB-CE2 4.24Å
150A96.2Very high95.8Very high29 Ų2947.8 Ų47.824%0.2426%0.26CS..Hα-helixtrans-65.8-31.3176.700000113.5L146 V147 R153 Y154 Y171L146-A150 WeakPolarHBondContact O-CB 3.45Å; L146-A150 PolarHBondContact O-N 3.25Å; V147-A150 PolarHBondContact O-N 3.08Å; A150-R153 WeakPolarHBondContact O-CG 3.49Å; A150-Y154 WeakPolarHBondContact O-CD2 3.43Å; A150-Y154 WeakPolarHBondContact O-CE2 3.35Å; A150-Y171 HydrophobicContact CB-CE2 4.46Å
151V96Very high95.4Very high99 Ų9950.6 Ų50.660%0.626%0.264SS*.Hα-helixtrans-82.6-49.7172.6174.70000110.8V147 A148 F149 R153 Y154V147-V151 WeakPolarHBondContact O-CG2 3.5Å; V147-V151 PolarHBondContact O-N 3.28Å; A148-V151 PolarHBondContact O-N 3.39Å; F149-V151 VanDerWaalsContact C-N 3.33Å; F149-V151 PolarHBondContact O-N 2.92Å; V151-R153 VanDerWaalsContact C-N 3.25Å; V151-R153 PolarHBondContact O-N 2.79Å; V151-Y154 PolarHBondContact O-N 3.24Å
152A94.5Very high95Very high8 Ų851.2 Ų51.27%0.06627%0.268CS..Hα-helixtrans-64.4-25.6-172.500000113.8W90 A148 Y154 D155 W158W90-A152 HydrophobicContact CH2-CB 3.68Å; W90-A152 HydrophobicContact CZ2-CB 3.29Å; W90-A152 HydrophobicContact CZ3-CB 4.41Å; A148-A152 WeakPolarHBondContact O-CB 3.38Å; A148-A152 PolarHBondContact O-N 3.35Å; A152-Y154 PolarHBondContact O-N 3.39Å; A152-D155 PolarHBondContact O-N 3.39Å; A152-W158 HydrophobicContact CB-CE3 3.76Å; A152-W158 HydrophobicContact CB-CZ3 3.7Å
153R93.6Very high94.7Very high26 Ų2659.5 Ų59.510%0.09831%0.307CS..THydrogen-bonded Turntrans-57.9-15.3171.361.8140.9-66.412814.1114.8I35 F149 A150 V151 P162 N165 L167I35-R153 HydrophobicContact CD1-CB 3.71Å; I35-R153 HydrophobicContact CG1-CB 4.24Å; F149-R153 WeakPolarHBondContact O-CB 3.16Å; F149-R153 WeakPolarHBondContact O-CG 3.38Å; F149-R153 PolarHBondContact O-N 2.95Å; F149-R153 VanDerWaalsContact O-N 3.11Å; A150-R153 WeakPolarHBondContact O-CG 3.49Å; V151-R153 VanDerWaalsContact C-N 3.25Å; V151-R153 PolarHBondContact O-N 2.79Å; R153-P162 PolarHBondContact NH2-O 2.73Å; R153-P162 WeakPolarHBondContact O-CB 3.41Å; R153-N165 PolarHBondContact NH1-O 3.31Å; R153-N165 PolarHBondContact NH2-O 2.91Å; R153-L167 HydrophobicContact CG-CD2 4.41Å
154Y93.7Very high94.4Very high161 Ų16161.2 Ų61.263%0.63131%0.312SS*.THydrogen-bonded Turntrans-104.8-8.2176.7-62.3-72.8000113.7A150 V151 A152 S156A150-Y154 WeakPolarHBondContact O-CD2 3.43Å; A150-Y154 WeakPolarHBondContact O-CE2 3.35Å; V151-Y154 PolarHBondContact O-N 3.24Å; A152-Y154 PolarHBondContact O-N 3.39Å; Y154-S156 PolarHBondContact O-N 3.47Å
155D93.8Very high94.3Very high44 Ų4459.4 Ų59.424%0.23530%0.296CS..  trans-82.498.5-179.8-170.9-14.4000110.9A152 R157 W158 M159A152-D155 PolarHBondContact O-N 3.39Å; D155-R157 PolarHBondContact O-N 3.36Å; D155-R157 VanDerWaalsContact OD1-CB 3.22Å; D155-R157 WeakPolarHBondContact OD1-CB 3.4Å; D155-R157 WeakPolarHBondContact OD1-CG 3.23Å; D155-R157 IonicContact OD1-CZ 2.85Å; D155-R157 PolarHBondContact OD1-N 3.05Å; D155-R157 IonicContact OD1-NE 3.69Å; D155-R157 PolarHBondContact OD1-NE 3.01Å; D155-R157 IonicContact OD1-NH2 2.69Å; D155-R157 IonicContact OD2-CZ 3.38Å; D155-R157 IonicContact OD2-NE 3.25Å; D155-R157 PolarHBondContact OD2-NE 3.43Å; D155-R157 IonicContact OD2-NH2 3.61Å; D155-R157 PolarHBondContact OD2-NH2 3.49Å; D155-W158 PolarHBondContact O-N 2.99Å; D155-M159 PolarHBondContact O-N 3.47Å
156S92.1Very high94.1Very high88 Ų8862.3 Ų62.362%0.61531%0.314SS*.THydrogen-bonded Turntrans-60.6-12.9179.758.40000114.9Y154Y154-S156 PolarHBondContact O-N 3.47Å
157R92.7Very high94Very high190 Ų19064.7 Ų64.772%0.71733%0.326SS*.THydrogen-bonded Turntrans-75.8-32.2173.8-54.2171-65.3-179.73.9111.3W85 D155W85-R157 PolarHBondContact NE1-O 3.06Å; D155-R157 PolarHBondContact O-N 3.36Å; D155-R157 VanDerWaalsContact OD1-CB 3.22Å; D155-R157 WeakPolarHBondContact OD1-CB 3.4Å; D155-R157 WeakPolarHBondContact OD1-CG 3.23Å; D155-R157 IonicContact OD1-CZ 2.85Å; D155-R157 PolarHBondContact OD1-N 3.05Å; D155-R157 IonicContact OD1-NE 3.69Å; D155-R157 PolarHBondContact OD1-NE 3.01Å; D155-R157 IonicContact OD1-NH2 2.69Å; D155-R157 IonicContact OD2-CZ 3.38Å; D155-R157 IonicContact OD2-NE 3.25Å; D155-R157 PolarHBondContact OD2-NE 3.43Å; D155-R157 IonicContact OD2-NH2 3.61Å; D155-R157 PolarHBondContact OD2-NH2 3.49Å
158W93.9Very high93.9Very high13 Ų1361 Ų615%0.04931%0.305CS..THydrogen-bonded Turntrans-100-51.7178.117865.2000112.2I35 I48 W85 L86 P88 W90 L91 F149 A152 D155I35-W158 HydrophobicContact CD1-CH2 4.12Å; I35-W158 HydrophobicContact CD1-CZ3 3.86Å; I48-W158 HydrophobicContact CD1-CZ2 3.99Å; I48-W158 HydrophobicContact CG2-CH2 4.26Å; W85-W158 WeakPolarHBondContact CZ2-O 3.41Å; W85-W158 PolarHBondContact NE1-O 3.05Å; W85-W158 VanDerWaalsContact O-CD1 3.31Å; L86-W158 PolarHBondContact O-NE1 2.89Å; P88-W158 HydrophobicContact CG-CG 4.25Å; W90-W158 AromaticContact CH2-CH2 3.74Å; W90-W158 HydrophobicContact CH2-CH2 3.74Å; W90-W158 HydrophobicContact CH2-CZ2 4.04Å; W90-W158 HydrophobicContact CH2-CZ3 4.02Å; W90-W158 AromaticContact CZ2-CD2 3.8Å; W90-W158 HydrophobicContact CZ2-CD2 3.8Å; W90-W158 AromaticContact CZ2-CE2 3.76Å; W90-W158 AromaticContact CZ2-CE3 3.74Å; W90-W158 HydrophobicContact CZ2-CE3 3.74Å; W90-W158 AromaticContact CZ2-CH2 3.62Å; W90-W158 HydrophobicContact CZ2-CH2 3.62Å; W90-W158 AromaticContact CZ2-CZ2 3.69Å; W90-W158 HydrophobicContact CZ2-CZ2 3.69Å; W90-W158 AromaticContact CZ2-CZ3 3.64Å; W90-W158 HydrophobicContact CZ2-CZ3 3.64Å; L91-W158 HydrophobicContact CD2-CZ2 4.06Å; F149-W158 HydrophobicContact CE1-CH2 4.32Å; A152-W158 HydrophobicContact CB-CE3 3.76Å; A152-W158 HydrophobicContact CB-CZ3 3.7Å; D155-W158 PolarHBondContact O-N 2.99Å
159M93.6Very high93.9Very high3 Ų365.1 Ų65.12%0.01532%0.316CS..SBendtrans-90.8116.8-176.9-173.456.850.700110.8I35 F45 I48 D155 Y161 P162 N165I35-M159 HydrophobicContact CB-CE 4.4Å; I35-M159 HydrophobicContact CD1-CE 3.78Å; I35-M159 HydrophobicContact CG2-CE 4Å; I35-M159 HydrophobicContact CG2-SD 4.09Å; F45-M159 HydrophobicContact CD1-SD 4.11Å; F45-M159 HydrophobicContact CE1-CE 4.46Å; F45-M159 HydrophobicContact CE1-SD 3.69Å; F45-M159 HydrophobicContact CE2-SD 4.35Å; F45-M159 HydrophobicContact CZ-CE 4.05Å; F45-M159 HydrophobicContact CZ-SD 3.82Å; I48-M159 HydrophobicContact CG2-CE 4.28Å; D155-M159 PolarHBondContact O-N 3.47Å; M159-Y161 PolarHBondContact O-N 3.31Å; M159-P162 HydrophobicContact CB-CB 4.47Å; M159-P162 HydrophobicContact CG-CB 4.33Å; M159-N165 HydrophobicContact CG-CB 4.38Å; M159-N165 HydrophobicContact SD-CB 4.43Å
160P90.4Very high93.9Very high20 Ų2065.1 Ų65.113%0.1332%0.316CS..SBendtrans-70.8130.4176.130.1-33000110.1F45 Y58 N165F45-P160 HydrophobicContact CB-CG 3.64Å; F45-P160 HydrophobicContact CD2-CG 4.38Å; F45-P160 HydrophobicContact CG-CG 4Å; Y58-P160 HydrophobicContact CE2-CB 4.38Å; Y58-P160 HydrophobicContact CE2-CG 4.44Å; P160-N165 PolarHBondContact O-ND2 3.33Å
161Y89.9Confident94Very high164 Ų16465.6 Ų65.664%0.64331%0.312SS*.SBendtrans51.263.5-178.1-51.9-78.7000113.3M159 E163 L164 N165M159-Y161 PolarHBondContact O-N 3.31Å; Y161-E163 PolarHBondContact O-N 3.01Å; Y161-L164 HydrophobicContact CG-CD1 4.27Å; Y161-L164 PolarHBondContact O-N 3.48Å; Y161-N165 PolarHBondContact O-ND2 2.93Å
162P90.8Very high94.1Very high23 Ų2363.6 Ų63.615%0.14931%0.305CS..G310 helixtrans-61.2-21.4-171.225.5-34.9000114.5R153 M159 L164 N165R153-P162 PolarHBondContact NH2-O 2.73Å; R153-P162 WeakPolarHBondContact O-CB 3.41Å; M159-P162 HydrophobicContact CB-CB 4.47Å; M159-P162 HydrophobicContact CG-CB 4.33Å; P162-L164 VanDerWaalsContact C-N 3.34Å; P162-N165 PolarHBondContact O-N 3.11Å
163E91.6Very high94.3Very high181 Ų18166.6 Ų66.685%0.84632%0.317SS*.G310 helixtrans-66.1-33172.9-65.3170.6-162.300112.8Y161 N165Y161-E163 PolarHBondContact O-N 3.01Å; E163-N165 VanDerWaalsContact C-N 3.25Å; E163-N165 PolarHBondContact O-N 2.9Å
164L93Very high94.5Very high66 Ų6665.4 Ų65.435%0.34631%0.312SS..G310 helixtrans-86.36.6-179.2-54.4179.9000112.8S37 V38 A41 Y161 P162S37-L164 CarbonylContact C-O 3.6Å; S37-L164 WeakPolarHBondContact CA-O 3.39Å; V38-L164 PolarHBondContact N-O 3.38Å; A41-L164 HydrophobicContact CB-CB 4.18Å; A41-L164 HydrophobicContact CB-CD1 4.03Å; A41-L164 HydrophobicContact CB-CD2 4.38Å; A41-L164 HydrophobicContact CB-CG 4.42Å; Y161-L164 HydrophobicContact CG-CD1 4.27Å; Y161-L164 PolarHBondContact O-N 3.48Å; P162-L164 VanDerWaalsContact C-N 3.34Å
165N94.5Very high94.7Very high2 Ų260.1 Ų60.11%0.01130%0.297CS..EExtended strand (participates in β ladder)trans-116.5138.9-174.1-73.3-69.4000112.1I35 Q36 F45 R153 M159 P160 Y161 P162 E163I35-N165 HydrophobicContact CG2-CB 3.84Å; Q36-N165 CarbonylContact O-C 3.56Å; Q36-N165 WeakPolarHBondContact O-CA 3.38Å; F45-N165 WeakPolarHBondContact CD1-OD1 3.41Å; F45-N165 WeakPolarHBondContact CE1-OD1 3.45Å; R153-N165 PolarHBondContact NH1-O 3.31Å; R153-N165 PolarHBondContact NH2-O 2.91Å; M159-N165 HydrophobicContact CG-CB 4.38Å; M159-N165 HydrophobicContact SD-CB 4.43Å; P160-N165 PolarHBondContact O-ND2 3.33Å; Y161-N165 PolarHBondContact O-ND2 2.93Å; P162-N165 PolarHBondContact O-N 3.11Å; E163-N165 VanDerWaalsContact C-N 3.25Å; E163-N165 PolarHBondContact O-N 2.9Å
166T94.9Very high94.9Very high62 Ų6261.1 Ų61.138%0.3830%0.302SS..EExtended strand (participates in β ladder)trans-120.9154.9179.558.20000111I35 Q36 V38 S168I35-T166 VanDerWaalsContact CA-O 3.31Å; I35-T166 WeakPolarHBondContact CA-O 3.3Å; Q36-T166 PolarHBondContact N-O 2.61Å; Q36-T166 PolarHBondContact O-N 2.96Å; Q36-T166 PolarHBondContact O-OG1 3.48Å; V38-T166 HydrophobicContact CG1-CG2 3.72Å; T166-S168 PolarHBondContact O-N 3.37Å
167L96.1Very high95.2Very high62 Ų6257 Ų5733%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-75.5120.6166.2-66.5174000107.1W34 I35 R153 Y171W34-L167 WeakPolarHBondContact O-CA 3.42Å; I35-L167 HydrophobicContact CG1-CD2 3.99Å; R153-L167 HydrophobicContact CG-CD2 4.41Å; L167-Y171 HydrophobicContact CB-CD1 4.14Å; L167-Y171 HydrophobicContact CB-CG 4.16Å; L167-Y171 HydrophobicContact CD1-CD1 4.02Å; L167-Y171 HydrophobicContact CD1-CD2 4.42Å; L167-Y171 HydrophobicContact CD1-CE1 3.81Å; L167-Y171 HydrophobicContact CD1-CE2 4.21Å; L167-Y171 HydrophobicContact CD1-CG 4.34Å; L167-Y171 HydrophobicContact CD2-CD2 3.85Å; L167-Y171 HydrophobicContact CD2-CE2 4.15Å; L167-Y171 HydrophobicContact CD2-CG 4.1Å; L167-Y171 HydrophobicContact CG-CD1 4.47Å; L167-Y171 HydrophobicContact CG-CG 4.43Å
168S96.3Very high95.5Very high17 Ų1751 Ų5112%0.11925%0.252CS..  trans-101.6-179-173.2-173.50000111.7Y33 W34 Q36 T166 S170 Y171Y33-S168 CarbonylContact O-C 3.4Å; Y33-S168 VanDerWaalsContact O-C 3.28Å; Y33-S168 VanDerWaalsContact O-CB 3.3Å; Y33-S168 WeakPolarHBondContact O-CB 3.38Å; W34-S168 PolarHBondContact O-N 3.03Å; Q36-S168 PolarHBondContact OE1-OG 3.34Å; T166-S168 PolarHBondContact O-N 3.37Å; S168-S170 PolarHBondContact O-N 3.13Å; S168-Y171 VanDerWaalsContact O-CB 3.32Å; S168-Y171 WeakPolarHBondContact O-CB 3.4Å; S168-Y171 PolarHBondContact O-N 2.91Å
169W97.4Very high95.7Very high109 Ų10954.2 Ų54.241%0.41327%0.27SS..Hα-helixtrans-57-30.5-16563.6-94000114I27 S31 Y33 Y171 A172 F173I27-W169 HydrophobicContact CG2-CH2 4.47Å; I27-W169 HydrophobicContact CG2-CZ3 3.73Å; S31-W169 WeakPolarHBondContact OG-CH2 3.05Å; S31-W169 WeakPolarHBondContact OG-CZ2 3.3Å; Y33-W169 AromaticContact CD1-CD1 3.92Å; Y33-W169 AromaticContact CD1-NE1 3.26Å; Y33-W169 VanDerWaalsContact CD1-NE1 3.26Å; Y33-W169 AromaticContact CD2-CE2 3.68Å; Y33-W169 HydrophobicContact CD2-CH2 4.49Å; Y33-W169 AromaticContact CD2-CZ2 3.42Å; Y33-W169 HydrophobicContact CD2-CZ2 3.42Å; Y33-W169 VanDerWaalsContact CD2-CZ2 3.42Å; Y33-W169 AromaticContact CD2-NE1 3.57Å; Y33-W169 AromaticContact CE1-NE1 3.78Å; Y33-W169 AromaticContact CE2-CZ2 3.87Å; Y33-W169 HydrophobicContact CE2-CZ2 3.87Å; Y33-W169 AromaticContact CG-CD1 3.97Å; Y33-W169 AromaticContact CG-CE2 3.62Å; Y33-W169 AromaticContact CG-CZ2 3.89Å; Y33-W169 HydrophobicContact CG-CZ2 3.89Å; Y33-W169 AromaticContact CG-NE1 3.13Å; W169-Y171 VanDerWaalsContact C-N 3.29Å; W169-Y171 PolarHBondContact O-N 2.89Å; W169-A172 WeakPolarHBondContact O-CB 3.07Å; W169-A172 PolarHBondContact O-N 2.87Å; W169-A172 VanDerWaalsContact O-N 3.11Å; W169-F173 AromaticContact CE3-CD2 3.76Å; W169-F173 HydrophobicContact CE3-CD2 3.76Å; W169-F173 AromaticContact CE3-CE2 3.97Å; W169-F173 HydrophobicContact CE3-CE2 3.97Å; W169-F173 HydrophobicContact CZ3-CD2 4.27Å; W169-F173 HydrophobicContact CZ3-CE2 4.44Å; W169-F173 WeakPolarHBondContact O-CD2 3.43Å; W169-F173 PolarHBondContact O-N 2.78Å
170S97.2Very high96Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-63.2-37177.5-164.50000112.3S28 S31 Y33 W34 S168 A172 F173 G174S28-S170 VanDerWaalsContact CA-OG 3.29Å; S28-S170 WeakPolarHBondContact CA-OG 3.43Å; S28-S170 WeakPolarHBondContact CB-O 3.4Å; S28-S170 PolarHBondContact O-OG 2.83Å; S28-S170 PolarHBondContact OG-O 3.29Å; S31-S170 WeakPolarHBondContact CB-OG 3.32Å; Y33-S170 WeakPolarHBondContact O-CB 3.5Å; Y33-S170 PolarHBondContact O-N 2.9Å; W34-S170 VanDerWaalsContact CD1-OG 3.32Å; W34-S170 PolarHBondContact NE1-OG 3.42Å; S168-S170 PolarHBondContact O-N 3.13Å; S170-A172 VanDerWaalsContact C-N 3.33Å; S170-F173 PolarHBondContact O-N 2.96Å; S170-G174 PolarHBondContact O-N 2.69Å
171Y98.2Very high96.3Very high40 Ų4053.5 Ų53.516%0.15727%0.265CS..Hα-helixtrans-63.6-41.1174.3-177.6-84.8000110.7W34 L146 F149 A150 L167 S168 W169 F173 G174 V175W34-Y171 AromaticContact CE3-CD2 3.85Å; W34-Y171 HydrophobicContact CE3-CD2 3.85Å; W34-Y171 HydrophobicContact CZ3-CD2 4.14Å; L146-Y171 HydrophobicContact CB-CE2 4.24Å; L146-Y171 HydrophobicContact CD2-CD1 4.41Å; L146-Y171 HydrophobicContact CD2-CD2 3.87Å; L146-Y171 HydrophobicContact CD2-CE1 4.12Å; L146-Y171 HydrophobicContact CD2-CE2 3.56Å; L146-Y171 HydrophobicContact CD2-CG 4.28Å; L146-Y171 WeakPolarHBondContact O-CE2 3.49Å; L146-Y171 PolarHBondContact O-OH 3.01Å; F149-Y171 HydrophobicContact CB-CD2 4.28Å; F149-Y171 HydrophobicContact CB-CE2 4.24Å; A150-Y171 HydrophobicContact CB-CE2 4.46Å; L167-Y171 HydrophobicContact CB-CD1 4.14Å; L167-Y171 HydrophobicContact CB-CG 4.16Å; L167-Y171 HydrophobicContact CD1-CD1 4.02Å; L167-Y171 HydrophobicContact CD1-CD2 4.42Å; L167-Y171 HydrophobicContact CD1-CE1 3.81Å; L167-Y171 HydrophobicContact CD1-CE2 4.21Å; L167-Y171 HydrophobicContact CD1-CG 4.34Å; L167-Y171 HydrophobicContact CD2-CD2 3.85Å; L167-Y171 HydrophobicContact CD2-CE2 4.15Å; L167-Y171 HydrophobicContact CD2-CG 4.1Å; L167-Y171 HydrophobicContact CG-CD1 4.47Å; L167-Y171 HydrophobicContact CG-CG 4.43Å; S168-Y171 VanDerWaalsContact O-CB 3.32Å; S168-Y171 WeakPolarHBondContact O-CB 3.4Å; S168-Y171 PolarHBondContact O-N 2.91Å; W169-Y171 VanDerWaalsContact C-N 3.29Å; W169-Y171 PolarHBondContact O-N 2.89Å; Y171-F173 PolarHBondContact O-N 2.81Å; Y171-G174 WeakPolarHBondContact O-CA 3.39Å; Y171-G174 PolarHBondContact O-N 3.38Å; Y171-V175 HydrophobicContact CD1-CG2 3.98Å; Y171-V175 HydrophobicContact CE1-CG2 3.55Å; Y171-V175 PolarHBondContact O-N 3.49Å
172A97.8Very high96.8Very high56 Ų5650 Ų5046%0.46325%0.253SS..Hα-helixtrans-64-38.2175.800000112.6W169 S170 G174 V175 L176W169-A172 WeakPolarHBondContact O-CB 3.07Å; W169-A172 PolarHBondContact O-N 2.87Å; W169-A172 VanDerWaalsContact O-N 3.11Å; S170-A172 VanDerWaalsContact C-N 3.33Å; A172-G174 VanDerWaalsContact C-N 3.3Å; A172-G174 PolarHBondContact O-N 2.74Å; A172-V175 PolarHBondContact O-N 3.02Å; A172-L176 WeakPolarHBondContact O-CB 3.3Å; A172-L176 PolarHBondContact O-N 3.31Å
173F98.4Very high97.1Very high72 Ų7251.7 Ų51.732%0.31626%0.261SS..Hα-helixtrans-64.7-32.3170-86.8-92.6000112.6I27 W169 S170 Y171 S177I27-F173 HydrophobicContact CB-CD1 4.43Å; I27-F173 HydrophobicContact CD1-CE1 4.24Å; I27-F173 HydrophobicContact CG2-CB 4.46Å; I27-F173 HydrophobicContact CG2-CD1 4.01Å; I27-F173 HydrophobicContact CG2-CD2 4.47Å; I27-F173 HydrophobicContact CG2-CE1 4.34Å; I27-F173 HydrophobicContact CG2-CG 4.07Å; W169-F173 AromaticContact CE3-CD2 3.76Å; W169-F173 HydrophobicContact CE3-CD2 3.76Å; W169-F173 AromaticContact CE3-CE2 3.97Å; W169-F173 HydrophobicContact CE3-CE2 3.97Å; W169-F173 HydrophobicContact CZ3-CD2 4.27Å; W169-F173 HydrophobicContact CZ3-CE2 4.44Å; W169-F173 WeakPolarHBondContact O-CD2 3.43Å; W169-F173 PolarHBondContact O-N 2.78Å; S170-F173 PolarHBondContact O-N 2.96Å; Y171-F173 PolarHBondContact O-N 2.81Å; F173-S177 VanDerWaalsContact O-CB 3.25Å; F173-S177 WeakPolarHBondContact O-CB 3.43Å; F173-S177 PolarHBondContact O-N 3.25Å
174G98.4Very high97.4Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-65.2-44.6171.700000112.7S28 S170 Y171 A172 S177 F178S28-G174 WeakPolarHBondContact OG-CA 3.43Å; S28-G174 PolarHBondContact OG-N 2.59Å; S170-G174 PolarHBondContact O-N 2.69Å; Y171-G174 WeakPolarHBondContact O-CA 3.39Å; Y171-G174 PolarHBondContact O-N 3.38Å; A172-G174 VanDerWaalsContact C-N 3.3Å; A172-G174 PolarHBondContact O-N 2.74Å; G174-S177 WeakPolarHBondContact O-CB 3.32Å; G174-S177 PolarHBondContact O-N 3.12Å; G174-F178 PolarHBondContact O-N 2.99Å
175V98.5Very high97.7Very high50 Ų5041.2 Ų41.230%0.30321%0.209SC..Hα-helixtrans-62.6-45.2174.1176.40000111L146 Y171 A172 S177 F178 I179L146-V175 HydrophobicContact CD1-CG2 4.1Å; L146-V175 HydrophobicContact CD2-CG2 3.73Å; Y171-V175 HydrophobicContact CD1-CG2 3.98Å; Y171-V175 HydrophobicContact CE1-CG2 3.55Å; Y171-V175 PolarHBondContact O-N 3.49Å; A172-V175 PolarHBondContact O-N 3.02Å; V175-S177 VanDerWaalsContact C-N 3.35Å; V175-S177 PolarHBondContact O-N 3.02Å; V175-F178 PolarHBondContact O-N 2.97Å; V175-I179 HydrophobicContact CG1-CD1 3.98Å; V175-I179 WeakPolarHBondContact O-CG1 3.34Å; V175-I179 PolarHBondContact O-N 3.38Å
176L98.2Very high97.8Very high66 Ų6644.2 Ų44.235%0.34623%0.225SC..Hα-helixtrans-61.5-43.7177.3-175.360.1000111.5F20 A172 I179 C180F20-L176 HydrophobicContact CE1-CD1 3.99Å; F20-L176 HydrophobicContact CE1-CD2 3.75Å; F20-L176 HydrophobicContact CE1-CG 3.8Å; F20-L176 HydrophobicContact CZ-CD2 3.88Å; F20-L176 HydrophobicContact CZ-CG 4.45Å; A172-L176 WeakPolarHBondContact O-CB 3.3Å; A172-L176 PolarHBondContact O-N 3.31Å; L176-I179 PolarHBondContact O-N 3.03Å; L176-C180 PolarHBondContact O-N 3.35Å; L176-C180 PolarHBondContact O-SG 2.96Å; L176-C180 VanDerWaalsContact O-SG 3.4Å
177S98.5Very high97.9Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-57.1-50.8172.1-179.60000111.4G21 N25 L142 F173 G174 V175 I179 C180 T181G21-S177 PolarHBondContact O-OG 3.44Å; G21-S177 VanDerWaalsContact O-OG 3.08Å; N25-S177 WeakPolarHBondContact CA-OG 3.32Å; N25-S177 VanDerWaalsContact CB-OG 3.27Å; N25-S177 WeakPolarHBondContact CB-OG 3.45Å; N25-S177 PolarHBondContact N-OG 2.91Å; L142-S177 VanDerWaalsContact CD1-OG 3.3Å; L142-S177 WeakPolarHBondContact CD1-OG 3.45Å; F173-S177 VanDerWaalsContact O-CB 3.25Å; F173-S177 WeakPolarHBondContact O-CB 3.43Å; F173-S177 PolarHBondContact O-N 3.25Å; G174-S177 WeakPolarHBondContact O-CB 3.32Å; G174-S177 PolarHBondContact O-N 3.12Å; V175-S177 VanDerWaalsContact C-N 3.35Å; V175-S177 PolarHBondContact O-N 3.02Å; S177-I179 VanDerWaalsContact C-N 3.35Å; S177-I179 PolarHBondContact O-N 2.89Å; S177-C180 PolarHBondContact O-N 3.42Å; S177-T181 WeakPolarHBondContact O-CG2 3.42Å; S177-T181 PolarHBondContact O-N 3.26Å; S177-T181 PolarHBondContact O-OG1 2.91Å
178F98.7Very high98Very high64 Ų6439.7 Ų39.728%0.28120%0.199SC..Hα-helixtrans-57-46-179.9170.2-101.6000112.1S139 L142 A143 L146 G174 V175 C180 T181 F182S139-F178 WeakPolarHBondContact O-CD2 3.48Å; S139-F178 WeakPolarHBondContact O-CE2 3.04Å; L142-F178 HydrophobicContact CB-CB 4.14Å; L142-F178 HydrophobicContact CB-CD2 4.19Å; L142-F178 HydrophobicContact CD1-CB 4.43Å; A143-F178 HydrophobicContact CB-CD2 4.27Å; A143-F178 HydrophobicContact CB-CE2 3.87Å; L146-F178 HydrophobicContact CD1-CB 3.87Å; L146-F178 HydrophobicContact CD1-CG 4.31Å; G174-F178 PolarHBondContact O-N 2.99Å; V175-F178 PolarHBondContact O-N 2.97Å; F178-C180 PolarHBondContact O-N 3.48Å; F178-T181 PolarHBondContact O-OG1 2.96Å; F178-F182 WeakPolarHBondContact O-CB 3.4Å; F178-F182 PolarHBondContact O-N 3.49Å
179I98.5Very high98Very high82 Ų8243.2 Ų43.242%0.42121%0.212SC..Hα-helixtrans-60.2-46.6177.1-67.3165.8000110.3V175 L176 S177 F182 I183V175-I179 HydrophobicContact CG1-CD1 3.98Å; V175-I179 WeakPolarHBondContact O-CG1 3.34Å; V175-I179 PolarHBondContact O-N 3.38Å; L176-I179 PolarHBondContact O-N 3.03Å; S177-I179 VanDerWaalsContact C-N 3.35Å; S177-I179 PolarHBondContact O-N 2.89Å; I179-F182 PolarHBondContact O-N 2.98Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 VanDerWaalsContact O-CG1 3.27Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 2.03Å
180C98.4Very high97.9Very high8 Ų841.8 Ų41.85%0.05421%0.211CC..Hα-helixtrans-70.7-39.3-179-67.10000113.5F17 L176 S177 F178 F182 G184F17-C180 HydrophobicContact CD1-CB 4.1Å; L176-C180 PolarHBondContact O-N 3.35Å; L176-C180 PolarHBondContact O-SG 2.96Å; L176-C180 VanDerWaalsContact O-SG 3.4Å; S177-C180 PolarHBondContact O-N 3.42Å; F178-C180 PolarHBondContact O-N 3.48Å; C180-F182 VanDerWaalsContact C-N 3.34Å; C180-G184 PolarHBondContact O-N 2.66Å
181T98.2Very high97.8Very high0 Ų042.4 Ų42.40%022%0.215CC..Hα-helixtrans-68.8-33.6174.7590000111.8T138 S139 L142 S177 F178 G184 F185T138-T181 HydrophobicContact CG2-CG2 4.18Å; S139-T181 WeakPolarHBondContact OG-CB 3.2Å; S139-T181 PolarHBondContact OG-OG1 3.4Å; L142-T181 HydrophobicContact CD1-CG2 4.25Å; S177-T181 WeakPolarHBondContact O-CG2 3.42Å; S177-T181 PolarHBondContact O-N 3.26Å; S177-T181 PolarHBondContact O-OG1 2.91Å; F178-T181 PolarHBondContact O-OG1 2.96Å; T181-G184 PolarHBondContact O-N 3.1Å; T181-F185 WeakPolarHBondContact O-CB 3.43Å; T181-F185 PolarHBondContact O-N 2.99Å
182F98.3Very high97.7Very high90 Ų9043.2 Ų43.240%0.39522%0.218SC..Hα-helixtrans-70.9-41.3176.3-169.1-104.3000112S139 F178 I179 C180 G184 F185 I186S139-F182 PolarHBondContact OG-N 3.05Å; F178-F182 WeakPolarHBondContact O-CB 3.4Å; F178-F182 PolarHBondContact O-N 3.49Å; I179-F182 PolarHBondContact O-N 2.98Å; C180-F182 VanDerWaalsContact C-N 3.34Å; F182-G184 VanDerWaalsContact C-N 3.35Å; F182-F185 HydrophobicContact CD2-CD1 4.16Å; F182-F185 HydrophobicContact CE2-CD1 4.05Å; F182-F185 HydrophobicContact CE2-CE1 4.35Å; F182-F185 WeakPolarHBondContact O-CB 3.19Å; F182-F185 PolarHBondContact O-N 3.19Å; F182-I186 HydrophobicContact CD1-CG1 4.41Å; F182-I186 HydrophobicContact CE1-CD1 4.43Å; F182-I186 HydrophobicContact CE1-CG1 4.13Å; F182-I186 HydrophobicContact CZ-CD1 4.29Å; F182-I186 HydrophobicContact CZ-CG1 4.4Å; F182-I186 WeakPolarHBondContact O-CG1 3.49Å; F182-I186 PolarHBondContact O-N 3.29Å
183I98.3Very high97.6Very high59 Ų5943.6 Ų43.630%0.30321%0.212SC..Hα-helixtrans-62.2-43.6170.5-67165.8000110.5F17 I179 F185 I186 I187F17-I183 HydrophobicContact CD1-CB 4.31Å; F17-I183 HydrophobicContact CD1-CG2 4.08Å; F17-I183 HydrophobicContact CD2-CG2 3.63Å; F17-I183 HydrophobicContact CE1-CB 4.42Å; F17-I183 HydrophobicContact CE1-CD1 4.06Å; F17-I183 HydrophobicContact CE1-CG2 4.01Å; F17-I183 HydrophobicContact CE2-CG2 3.56Å; F17-I183 HydrophobicContact CG-CB 4.41Å; F17-I183 HydrophobicContact CG-CG2 3.92Å; F17-I183 HydrophobicContact CZ-CD1 4.39Å; F17-I183 HydrophobicContact CZ-CG2 3.76Å; I179-I183 HydrophobicContact CG2-CD1 3.84Å; I179-I183 VanDerWaalsContact O-CG1 3.27Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 2.03Å; I183-F185 VanDerWaalsContact C-N 3.33Å; I183-F185 PolarHBondContact O-N 3.44Å; I183-I186 PolarHBondContact O-N 3.09Å; I183-I187 HydrophobicContact CG2-CD1 3.69Å; I183-I187 HydrophobicContact CG2-CG1 4.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.4Å; I183-I187 PolarHBondContact O-N 2.69Å
184G97.8Very high97.4Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-57.7-42.2174.400000113.1H135 C180 T181 F182 S188H135-G184 VanDerWaalsContact CD2-C 3.46Å; C180-G184 PolarHBondContact O-N 2.66Å; T181-G184 PolarHBondContact O-N 3.1Å; F182-G184 VanDerWaalsContact C-N 3.35Å; G184-S188 WeakPolarHBondContact O-CB 3.46Å; G184-S188 PolarHBondContact O-N 2.72Å; G184-S188 PolarHBondContact O-OG 3.35Å
185F98.3Very high97.1Very high26 Ų2645.5 Ų45.511%0.11422%0.222CC..Hα-helixtrans-58.2-54.9171.5161.7-119.5000111.5A132 H135 F136 T181 F182 I183 I187 S188 F189A132-F185 WeakPolarHBondContact O-CD2 3.33Å; H135-F185 HydrophobicContact CB-CB 3.71Å; F136-F185 HydrophobicContact CB-CD2 3.76Å; F136-F185 HydrophobicContact CB-CE2 3.88Å; F136-F185 HydrophobicContact CB-CG 4.22Å; F136-F185 HydrophobicContact CB-CZ 4.42Å; F136-F185 HydrophobicContact CD2-CD1 4.28Å; F136-F185 HydrophobicContact CD2-CD2 4.46Å; F136-F185 AromaticContact CD2-CE1 3.86Å; F136-F185 HydrophobicContact CD2-CE1 3.86Å; F136-F185 HydrophobicContact CD2-CE2 4.07Å; F136-F185 AromaticContact CD2-CZ 3.75Å; F136-F185 HydrophobicContact CD2-CZ 3.75Å; F136-F185 HydrophobicContact CE2-CZ 4.49Å; F136-F185 HydrophobicContact CG-CE2 4.29Å; F136-F185 HydrophobicContact CG-CZ 4.41Å; T181-F185 WeakPolarHBondContact O-CB 3.43Å; T181-F185 PolarHBondContact O-N 2.99Å; F182-F185 HydrophobicContact CD2-CD1 4.16Å; F182-F185 HydrophobicContact CE2-CD1 4.05Å; F182-F185 HydrophobicContact CE2-CE1 4.35Å; F182-F185 WeakPolarHBondContact O-CB 3.19Å; F182-F185 PolarHBondContact O-N 3.19Å; I183-F185 VanDerWaalsContact C-N 3.33Å; I183-F185 PolarHBondContact O-N 3.44Å; F185-I187 PolarHBondContact O-N 2.75Å; F185-S188 PolarHBondContact O-N 2.91Å; F185-F189 HydrophobicContact CD2-CB 4.24Å; F185-F189 HydrophobicContact CE2-CB 3.93Å; F185-F189 HydrophobicContact CE2-CD2 4.22Å; F185-F189 HydrophobicContact CE2-CG 4.08Å; F185-F189 HydrophobicContact CZ-CB 4.47Å; F185-F189 HydrophobicContact CZ-CG 4.37Å; F185-F189 WeakPolarHBondContact O-CB 3.4Å; F185-F189 PolarHBondContact O-N 3.4Å
186I98.2Very high96.9Very high65 Ų6543.9 Ų43.933%0.33321%0.212SC..Hα-helixtrans-59.7-45.4-176.3-65.6-68.1000111.5F182 I183 F189 I190F182-I186 HydrophobicContact CD1-CG1 4.41Å; F182-I186 HydrophobicContact CE1-CD1 4.43Å; F182-I186 HydrophobicContact CE1-CG1 4.13Å; F182-I186 HydrophobicContact CZ-CD1 4.29Å; F182-I186 HydrophobicContact CZ-CG1 4.4Å; F182-I186 WeakPolarHBondContact O-CG1 3.49Å; F182-I186 PolarHBondContact O-N 3.29Å; I183-I186 PolarHBondContact O-N 3.09Å; I186-F189 PolarHBondContact O-N 2.96Å; I186-I190 HydrophobicContact CG2-CD1 3.78Å; I186-I190 WeakPolarHBondContact O-CB 3.28Å; I186-I190 VanDerWaalsContact O-CG1 3.3Å; I186-I190 WeakPolarHBondContact O-CG1 3.36Å; I186-I190 PolarHBondContact O-N 3Å
187I97.1Very high96.8Very high30 Ų3044.5 Ų44.515%0.15422%0.216CC..Hα-helixtrans-65.3-44.5178.4-61.1172.5000110.6L10 C13 I14 F17 I183 F185 F189 T191L10-I187 HydrophobicContact CD2-CG2 4.08Å; C13-I187 HydrophobicContact CB-CD1 3.89Å; I14-I187 HydrophobicContact CD1-CG2 4.12Å; I14-I187 HydrophobicContact CG1-CB 4.27Å; I14-I187 HydrophobicContact CG1-CG2 3.64Å; F17-I187 HydrophobicContact CD2-CD1 3.93Å; F17-I187 HydrophobicContact CE2-CD1 4.07Å; I183-I187 HydrophobicContact CG2-CD1 3.69Å; I183-I187 HydrophobicContact CG2-CG1 4.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.4Å; I183-I187 PolarHBondContact O-N 2.69Å; F185-I187 PolarHBondContact O-N 2.75Å; I187-F189 VanDerWaalsContact C-N 3.34Å; I187-F189 PolarHBondContact O-N 3.44Å; I187-T191 WeakPolarHBondContact O-CB 3.47Å; I187-T191 PolarHBondContact O-N 3.22Å; I187-T191 PolarHBondContact O-OG1 3.05Å
188S96.7Very high96.5Very high0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-65.3-37.3178.9-570000112.2I131 G184 F185 T191 Y192I131-S188 WeakPolarHBondContact CG2-OG 3.37Å; G184-S188 WeakPolarHBondContact O-CB 3.46Å; G184-S188 PolarHBondContact O-N 2.72Å; G184-S188 PolarHBondContact O-OG 3.35Å; F185-S188 PolarHBondContact O-N 2.91Å; S188-T191 PolarHBondContact O-N 2.86Å; S188-Y192 WeakPolarHBondContact O-CB 3.22Å; S188-Y192 PolarHBondContact O-N 3.03Å
189F97.2Very high96.2Very high91 Ų9146.7 Ų46.740%0.39923%0.229SC..Hα-helixtrans-71.2-42.2178.9-175.5-111.7000112.4F185 I186 I187 T191 Y192 I193F185-F189 HydrophobicContact CD2-CB 4.24Å; F185-F189 HydrophobicContact CE2-CB 3.93Å; F185-F189 HydrophobicContact CE2-CD2 4.22Å; F185-F189 HydrophobicContact CE2-CG 4.08Å; F185-F189 HydrophobicContact CZ-CB 4.47Å; F185-F189 HydrophobicContact CZ-CG 4.37Å; F185-F189 WeakPolarHBondContact O-CB 3.4Å; F185-F189 PolarHBondContact O-N 3.4Å; I186-F189 PolarHBondContact O-N 2.96Å; I187-F189 VanDerWaalsContact C-N 3.34Å; I187-F189 PolarHBondContact O-N 3.44Å; F189-T191 VanDerWaalsContact C-N 3.32Å; F189-T191 PolarHBondContact O-N 2.82Å; F189-Y192 WeakPolarHBondContact O-CB 3.41Å; F189-Y192 PolarHBondContact O-N 3.04Å; F189-I193 HydrophobicContact CD1-CD1 4.01Å; F189-I193 HydrophobicContact CE1-CD1 3.59Å; F189-I193 HydrophobicContact CE2-CD1 4.34Å; F189-I193 HydrophobicContact CZ-CD1 3.78Å; F189-I193 WeakPolarHBondContact O-CG1 3.38Å; F189-I193 PolarHBondContact O-N 3.46Å
190I96Very high96Very high78 Ų7847.1 Ų47.140%0.423%0.232SC..Hα-helixtrans-63.2-40.6172.3-68.9167.2000110.7I186 K194I186-I190 HydrophobicContact CG2-CD1 3.78Å; I186-I190 WeakPolarHBondContact O-CB 3.28Å; I186-I190 VanDerWaalsContact O-CG1 3.3Å; I186-I190 WeakPolarHBondContact O-CG1 3.36Å; I186-I190 PolarHBondContact O-N 3Å; I190-K194 HydrophobicContact CG2-CD 4.25Å; I190-K194 WeakPolarHBondContact O-CB 3.19Å; I190-K194 WeakPolarHBondContact O-CG 3.16Å; I190-K194 PolarHBondContact O-N 2.82Å
191T94.6Very high95.9Very high13 Ų1352.2 Ų52.28%0.0826%0.255CS..Hα-helixtrans-67-38.5176.9-49.90000111.1L128 I187 S188 F189 L195L128-T191 HydrophobicContact CD2-CG2 3.89Å; I187-T191 WeakPolarHBondContact O-CB 3.47Å; I187-T191 PolarHBondContact O-N 3.22Å; I187-T191 PolarHBondContact O-OG1 3.05Å; S188-T191 PolarHBondContact O-N 2.86Å; F189-T191 VanDerWaalsContact C-N 3.32Å; F189-T191 PolarHBondContact O-N 2.82Å; T191-L195 VanDerWaalsContact O-CB 3.26Å; T191-L195 WeakPolarHBondContact O-CB 3.31Å; T191-L195 PolarHBondContact O-N 3.35Å
192Y95.6Very high95.6Very high57 Ų5757.2 Ų57.222%0.22428%0.278CS..Hα-helixtrans-59.3-51.1174.5172.7-97.3000111.7L125 R129 S188 F189 L195 S196L125-Y192 HydrophobicContact CD1-CD2 3.53Å; L125-Y192 HydrophobicContact CD1-CE2 3.54Å; L125-Y192 HydrophobicContact CD1-CG 4.44Å; L125-Y192 HydrophobicContact CG-CD2 4.23Å; L125-Y192 HydrophobicContact CG-CE2 3.81Å; R129-Y192 HydrophobicContact CB-CD2 3.96Å; R129-Y192 HydrophobicContact CB-CE2 3.62Å; R129-Y192 HydrophobicContact CG-CE2 4.02Å; S188-Y192 WeakPolarHBondContact O-CB 3.22Å; S188-Y192 PolarHBondContact O-N 3.03Å; F189-Y192 WeakPolarHBondContact O-CB 3.41Å; F189-Y192 PolarHBondContact O-N 3.04Å; Y192-L195 PolarHBondContact O-N 2.92Å; Y192-S196 PolarHBondContact O-N 3.36Å; Y192-S196 PolarHBondContact O-OG 3.27Å
193I95.7Very high95.5Very high65 Ų6556.5 Ų56.533%0.33328%0.279SS..Hα-helixtrans-61.1-52179.1-67.1167.4000110.6F189 L195 S196 D197F189-I193 HydrophobicContact CD1-CD1 4.01Å; F189-I193 HydrophobicContact CE1-CD1 3.59Å; F189-I193 HydrophobicContact CE2-CD1 4.34Å; F189-I193 HydrophobicContact CZ-CD1 3.78Å; F189-I193 WeakPolarHBondContact O-CG1 3.38Å; F189-I193 PolarHBondContact O-N 3.46Å; I193-L195 PolarHBondContact O-N 3.11Å; I193-L195 VanDerWaalsContact O-N 3.17Å; I193-S196 WeakPolarHBondContact CA-OG 3.33Å; I193-S196 PolarHBondContact O-N 2.86Å; I193-S196 PolarHBondContact O-OG 2.97Å; I193-D197 WeakPolarHBondContact CG2-OD2 3.38Å; I193-D197 WeakPolarHBondContact O-CB 3.44Å; I193-D197 PolarHBondContact O-N 3.3Å
194K93.7Very high95.4Very high79 Ų7957.4 Ų57.434%0.34329%0.287SS..Hα-helixtrans-54.6-38.1177.7-78.6-179.6169.2179.60112.6L2 E6 I190 L198L2-K194 HydrophobicContact CD1-CD 4.29Å; E6-K194 IonicContact OE1-NZ 2.62Å; E6-K194 PolarHBondContact OE1-NZ 2.89Å; I190-K194 HydrophobicContact CG2-CD 4.25Å; I190-K194 WeakPolarHBondContact O-CB 3.19Å; I190-K194 WeakPolarHBondContact O-CG 3.16Å; I190-K194 PolarHBondContact O-N 2.82Å; K194-L198 WeakPolarHBondContact O-CD1 3.48Å; K194-L198 VanDerWaalsContact O-CG 3.28Å; K194-L198 WeakPolarHBondContact O-CG 3.45Å; K194-L198 PolarHBondContact O-N 2.81Å
195L93.3Very high95.2Very high33 Ų3361.9 Ų61.917%0.17331%0.311CS..Hα-helixtrans-76.9-41.7179.5-175.662.4000112.4L125 L128 T191 Y192 I193 D197 L198 M199L125-L195 HydrophobicContact CD1-CB 4.25Å; L125-L195 HydrophobicContact CD1-CD2 4.12Å; L125-L195 HydrophobicContact CD1-CG 4.14Å; L128-L195 HydrophobicContact CD2-CB 4.46Å; L128-L195 HydrophobicContact CD2-CD2 3.87Å; T191-L195 VanDerWaalsContact O-CB 3.26Å; T191-L195 WeakPolarHBondContact O-CB 3.31Å; T191-L195 PolarHBondContact O-N 3.35Å; Y192-L195 PolarHBondContact O-N 2.92Å; I193-L195 PolarHBondContact O-N 3.11Å; I193-L195 VanDerWaalsContact O-N 3.17Å; L195-D197 VanDerWaalsContact C-N 3.3Å; L195-D197 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-M199 HydrophobicContact CD1-CG 4.4Å; L195-M199 HydrophobicContact CD1-SD 4.43Å; L195-M199 HydrophobicContact CG-SD 4.21Å; L195-M199 WeakPolarHBondContact O-CB 3.31Å; L195-M199 WeakPolarHBondContact O-CG 3.48Å; L195-M199 PolarHBondContact O-N 3.01Å
196S94.5Very high95Very high15 Ų1565.3 Ų65.311%0.10533%0.327CS..Hα-helixtrans-62.1-40.5175.656.80000111.6Y192 I193 M199 N200Y192-S196 PolarHBondContact O-N 3.36Å; Y192-S196 PolarHBondContact O-OG 3.27Å; I193-S196 WeakPolarHBondContact CA-OG 3.33Å; I193-S196 PolarHBondContact O-N 2.86Å; I193-S196 PolarHBondContact O-OG 2.97Å; S196-M199 PolarHBondContact O-N 2.94Å; S196-N200 VanDerWaalsContact O-CB 3.3Å; S196-N200 WeakPolarHBondContact O-CB 3.21Å; S196-N200 PolarHBondContact O-N 3.35Å; S196-N200 PolarHBondContact O-ND2 2.91Å; S196-N200 VanDerWaalsContact O-ND2 3.15Å
197D94.7Very high94.9Very high80 Ų8066.8 Ų66.843%0.42834%0.336SS..Hα-helixtrans-68.3-41.1-178.3-62.9-9.7000111.2I193 L195 N200 Q201I193-D197 WeakPolarHBondContact CG2-OD2 3.38Å; I193-D197 WeakPolarHBondContact O-CB 3.44Å; I193-D197 PolarHBondContact O-N 3.3Å; L195-D197 VanDerWaalsContact C-N 3.3Å; L195-D197 PolarHBondContact O-N 3.46Å; D197-N200 PolarHBondContact O-N 2.99Å; D197-Q201 WeakPolarHBondContact O-CB 3.5Å; D197-Q201 VanDerWaalsContact O-CG 3.29Å; D197-Q201 WeakPolarHBondContact O-CG 3.3Å; D197-Q201 PolarHBondContact O-N 2.9Å
198L92.8Very high94.7Very high42 Ų4270.1 Ų70.122%0.2235%0.354CS..Hα-helixtrans-63.7-43.9172.8-75.5172.4000112.4L2 K194 L195 Q201 Q202L2-L198 HydrophobicContact CB-CD1 4.01Å; K194-L198 WeakPolarHBondContact O-CD1 3.48Å; K194-L198 VanDerWaalsContact O-CG 3.28Å; K194-L198 WeakPolarHBondContact O-CG 3.45Å; K194-L198 PolarHBondContact O-N 2.81Å; L195-L198 PolarHBondContact O-N 3.45Å; L198-Q201 PolarHBondContact O-N 3.13Å; L198-Q202 WeakPolarHBondContact O-CG 3.07Å; L198-Q202 PolarHBondContact O-N 3.43Å
199M92.1Very high94.4Very high68 Ų6875.2 Ų75.234%0.33538%0.381SS..Hα-helixtrans-65-40.2176.7-71.5-178.769.500111.8L125 L195 S196 Q202 N203L125-M199 HydrophobicContact CB-SD 4.08Å; L125-M199 HydrophobicContact CD2-SD 4.13Å; L195-M199 HydrophobicContact CD1-CG 4.4Å; L195-M199 HydrophobicContact CD1-SD 4.43Å; L195-M199 HydrophobicContact CG-SD 4.21Å; L195-M199 WeakPolarHBondContact O-CB 3.31Å; L195-M199 WeakPolarHBondContact O-CG 3.48Å; L195-M199 PolarHBondContact O-N 3.01Å; S196-M199 PolarHBondContact O-N 2.94Å; M199-Q202 PolarHBondContact O-N 3.26Å; M199-N203 WeakPolarHBondContact O-CB 3.33Å; M199-N203 PolarHBondContact O-N 3.2Å; M199-N203 PolarHBondContact O-ND2 3Å; M199-N203 PolarHBondContact O-OD1 3.25Å
200N94.8Very high94.2Very high90 Ų9074.4 Ų74.448%0.48138%0.38SS..Hα-helixtrans-63.4-42.9175.4-70.6-24.2000111.3S196 D197 N203 T204S196-N200 VanDerWaalsContact O-CB 3.3Å; S196-N200 WeakPolarHBondContact O-CB 3.21Å; S196-N200 PolarHBondContact O-N 3.35Å; S196-N200 PolarHBondContact O-ND2 2.91Å; S196-N200 VanDerWaalsContact O-ND2 3.15Å; D197-N200 PolarHBondContact O-N 2.99Å; N200-N203 PolarHBondContact O-N 3.32Å; N200-T204 WeakPolarHBondContact O-CB 3.15Å; N200-T204 PolarHBondContact O-N 2.98Å; N200-T204 PolarHBondContact O-OG1 2.83Å
201Q94.9Very high94Very high116 Ų11674.1 Ų74.154%0.54238%0.38SS..Hα-helixtrans-61.4-43174.2-75.4173.2-3.100112.4D197 L198 T204 N205D197-Q201 WeakPolarHBondContact O-CB 3.5Å; D197-Q201 VanDerWaalsContact O-CG 3.29Å; D197-Q201 WeakPolarHBondContact O-CG 3.3Å; D197-Q201 PolarHBondContact O-N 2.9Å; L198-Q201 PolarHBondContact O-N 3.13Å; Q201-T204 PolarHBondContact O-N 2.84Å; Q201-N205 WeakPolarHBondContact O-CB 3.29Å; Q201-N205 PolarHBondContact O-N 3.27Å; Q201-N205 PolarHBondContact O-ND2 3.25Å; Q201-N205 PolarHBondContact O-OD1 2.83Å
202Q93.5Very high93.7Very high104 Ų10477.9 Ų77.949%0.48640%0.396SS..Hα-helixtrans-61.7-51.5175.7-73.2-178.8-115.100111.4L198 M199 T204 N205 E206L198-Q202 WeakPolarHBondContact O-CG 3.07Å; L198-Q202 PolarHBondContact O-N 3.43Å; M199-Q202 PolarHBondContact O-N 3.26Å; Q202-T204 VanDerWaalsContact C-N 3.28Å; Q202-T204 PolarHBondContact O-N 3.41Å; Q202-N205 PolarHBondContact O-N 2.8Å; Q202-N205 VanDerWaalsContact O-N 3.14Å; Q202-E206 WeakPolarHBondContact O-CB 3.42Å; Q202-E206 WeakPolarHBondContact O-CG 3.13Å; Q202-E206 PolarHBondContact O-N 3.34Å
203N94.9Very high93.3Very high75 Ų7582.6 Ų82.640%0.40142%0.42SS..Hα-helixtrans-57.8-39.3177-63.1-15.1000112.2M199 N200 N207M199-N203 WeakPolarHBondContact O-CB 3.33Å; M199-N203 PolarHBondContact O-N 3.2Å; M199-N203 PolarHBondContact O-ND2 3Å; M199-N203 PolarHBondContact O-OD1 3.25Å; N200-N203 PolarHBondContact O-N 3.32Å; N203-N207 WeakPolarHBondContact O-CB 3.26Å; N203-N207 PolarHBondContact O-N 3.05Å; N203-N207 PolarHBondContact O-ND2 3.05Å
204T96.1Very high92.9Very high78 Ų7886.9 Ų86.948%0.47944%0.436SS..Hα-helixtrans-65.3-45.9175.9-64.30000111.6N200 Q201 Q202 N207 L208N200-T204 WeakPolarHBondContact O-CB 3.15Å; N200-T204 PolarHBondContact O-N 2.98Å; N200-T204 PolarHBondContact O-OG1 2.83Å; Q201-T204 PolarHBondContact O-N 2.84Å; Q202-T204 VanDerWaalsContact C-N 3.28Å; Q202-T204 PolarHBondContact O-N 3.41Å; T204-N207 PolarHBondContact O-N 3.03Å; T204-L208 HydrophobicContact CG2-CD1 4.2Å; T204-L208 WeakPolarHBondContact O-CG 3.25Å; T204-L208 PolarHBondContact O-N 2.65Å
205N94.9Very high92.5Very high94 Ų9489.1 Ų89.150%0.50345%0.45SS..Hα-helixtrans-65.6-40.5179-66.5-9.5000111.9Q201 Q202 L208 L209Q201-N205 WeakPolarHBondContact O-CB 3.29Å; Q201-N205 PolarHBondContact O-N 3.27Å; Q201-N205 PolarHBondContact O-ND2 3.25Å; Q201-N205 PolarHBondContact O-OD1 2.83Å; Q202-N205 PolarHBondContact O-N 2.8Å; Q202-N205 VanDerWaalsContact O-N 3.14Å; N205-L208 PolarHBondContact O-N 3.16Å; N205-L209 WeakPolarHBondContact O-CG 3.47Å; N205-L209 PolarHBondContact O-N 3.18Å
206E94.2Very high91.8Very high98 Ų9890.5 Ų90.546%0.45847%0.472SS..Hα-helixtrans-62.7-42.8174.9-72.5167-158.200111.2Q202 L209 N210Q202-E206 WeakPolarHBondContact O-CB 3.42Å; Q202-E206 WeakPolarHBondContact O-CG 3.13Å; Q202-E206 PolarHBondContact O-N 3.34Å; E206-L209 PolarHBondContact O-N 3.3Å; E206-N210 WeakPolarHBondContact O-CB 3.26Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 2.96Å
207N94.7Very high90.5Very high96 Ų9694.4 Ų94.451%0.51349%0.49SS..Hα-helixtrans-62.6-41.3174.1-74.3-34.7000112.7N203 T204 N210 D211N203-N207 WeakPolarHBondContact O-CB 3.26Å; N203-N207 PolarHBondContact O-N 3.05Å; N203-N207 PolarHBondContact O-ND2 3.05Å; T204-N207 PolarHBondContact O-N 3.03Å; N207-N210 PolarHBondContact O-N 3.19Å; N207-D211 PolarHBondContact O-N 2.82Å
208L93.1Very high89.1Confident101 Ų10195.6 Ų95.653%0.52951%0.505SS..Hα-helixtrans-62.1-47.9176.8-72.4169.1000111.7T204 N205 N210 D211 E212T204-L208 HydrophobicContact CG2-CD1 4.2Å; T204-L208 WeakPolarHBondContact O-CG 3.25Å; T204-L208 PolarHBondContact O-N 2.65Å; N205-L208 PolarHBondContact O-N 3.16Å; L208-N210 VanDerWaalsContact C-N 3.34Å; L208-N210 PolarHBondContact O-N 2.85Å; L208-D211 PolarHBondContact O-N 2.81Å; L208-E212 PolarHBondContact O-N 3.42Å
209L91.2Very high87.9Confident107 Ų10798.2 Ų98.256%0.5653%0.527SS*.Hα-helixtrans-60.2-43.2176.6-69.4167.4000111.8N205 E206 D211 E212 E213N205-L209 WeakPolarHBondContact O-CG 3.47Å; N205-L209 PolarHBondContact O-N 3.18Å; E206-L209 PolarHBondContact O-N 3.3Å; L209-D211 PolarHBondContact O-N 3.17Å; L209-E212 PolarHBondContact O-N 3.42Å; L209-E213 PolarHBondContact O-N 3.16Å
210N92.5Very high86.8Confident74 Ų74100.5 Ų100.540%0.39655%0.547SS..Hα-helixtrans-62.9-28.1175.6-71.8-38.4000112.7E206 N207 L208 K214E206-N210 WeakPolarHBondContact O-CB 3.26Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 2.96Å; N207-N210 PolarHBondContact O-N 3.19Å; L208-N210 VanDerWaalsContact C-N 3.34Å; L208-N210 PolarHBondContact O-N 2.85Å; N210-K214 VanDerWaalsContact O-CD 3.29Å; N210-K214 WeakPolarHBondContact O-CD 3.22Å; N210-K214 WeakPolarHBondContact O-CE 3.43Å; N210-K214 WeakPolarHBondContact O-CG 3.21Å; N210-K214 PolarHBondContact O-N 2.86Å; N210-K214 PolarHBondContact O-NZ 2.93Å
211D91.1Very high85.5Confident72 Ų72101.5 Ų101.539%0.38556%0.558SS.*Hα-helixtrans-85.8-33.8176.9-74.1-17.2000112.3N207 L208 L209 E213 K214 M215N207-D211 PolarHBondContact O-N 2.82Å; L208-D211 PolarHBondContact O-N 2.81Å; L209-D211 PolarHBondContact O-N 3.17Å; D211-E213 VanDerWaalsContact C-N 3.33Å; D211-K214 PolarHBondContact O-N 3.14Å; D211-K214 IonicContact OD1-NZ 2.62Å; D211-K214 PolarHBondContact OD1-NZ 3.33Å; D211-M215 HydrophobicContact CB-CE 4.35Å; D211-M215 WeakPolarHBondContact O-CB 3.49Å; D211-M215 VanDerWaalsContact O-CE 3.31Å; D211-M215 WeakPolarHBondContact O-CE 3.22Å; D211-M215 WeakPolarHBondContact O-CG 3.34Å; D211-M215 PolarHBondContact O-N 2.64Å
212E89.1Confident84.6Confident92 Ų92101.5 Ų101.543%0.4357%0.568SS.*Hα-helixtrans-60-42.1169.1-72-177.7133.600111.7L208 L209 M215 G216 I217L208-E212 PolarHBondContact O-N 3.42Å; L209-E212 PolarHBondContact O-N 3.42Å; E212-M215 PolarHBondContact O-N 3.03Å; E212-G216 PolarHBondContact O-N 3.2Å; E212-I217 PolarHBondContact O-N 2.86Å; E212-I217 VanDerWaalsContact O-N 3.09Å
213E87.1Confident83.9Confident155 Ų155102.1 Ų102.172%0.72458%0.581SS**Hα-helixtrans-60.4-49.1173.9-172.2-178.1172.800111.6L209 D211 M215 G216L209-E213 PolarHBondContact O-N 3.16Å; D211-E213 VanDerWaalsContact C-N 3.33Å; E213-M215 VanDerWaalsContact C-N 3.28Å; E213-M215 PolarHBondContact O-N 2.85Å; E213-G216 PolarHBondContact O-N 3.32Å
214K88.1Confident83.1Confident155 Ų155104 Ų10467%0.67460%0.597SS**Hα-helixtrans-61.9-33.1177.4-69.8163.8-152.1151.80113.2N210 D211 G216N210-K214 VanDerWaalsContact O-CD 3.29Å; N210-K214 WeakPolarHBondContact O-CD 3.22Å; N210-K214 WeakPolarHBondContact O-CE 3.43Å; N210-K214 WeakPolarHBondContact O-CG 3.21Å; N210-K214 PolarHBondContact O-N 2.86Å; N210-K214 PolarHBondContact O-NZ 2.93Å; D211-K214 PolarHBondContact O-N 3.14Å; D211-K214 IonicContact OD1-NZ 2.62Å; D211-K214 PolarHBondContact OD1-NZ 3.33Å; K214-G216 PolarHBondContact O-N 3.4Å
215M84.8Confident82.1Confident127 Ų127105.5 Ų105.563%0.62661%0.608SS**THydrogen-bonded Turntrans-77.5-4176.2-72-174.4-7500113.1D211 E212 E213 I217D211-M215 HydrophobicContact CB-CE 4.35Å; D211-M215 WeakPolarHBondContact O-CB 3.49Å; D211-M215 VanDerWaalsContact O-CE 3.31Å; D211-M215 WeakPolarHBondContact O-CE 3.22Å; D211-M215 WeakPolarHBondContact O-CG 3.34Å; D211-M215 PolarHBondContact O-N 2.64Å; E212-M215 PolarHBondContact O-N 3.03Å; E213-M215 VanDerWaalsContact C-N 3.28Å; E213-M215 PolarHBondContact O-N 2.85Å; M215-I217 HydrophobicContact CB-CD1 3.75Å; M215-I217 HydrophobicContact CB-CG1 3.83Å; M215-I217 HydrophobicContact CE-CD1 4.08Å; M215-I217 PolarHBondContact O-N 2.99Å; M215-I217 HydrophobicContact SD-CD1 4.19Å
216G79.3Confident81.1Confident61 Ų61107.1 Ų107.163%0.62962%0.624SS**THydrogen-bonded Turntrans67.820.7-178.100000113.2E212 E213 K214 S218E212-G216 PolarHBondContact O-N 3.2Å; E213-G216 PolarHBondContact O-N 3.32Å; K214-G216 PolarHBondContact O-N 3.4Å; G216-S218 PolarHBondContact O-N 2.97Å
217I66.7Low79.7Confident97 Ų97108.9 Ų108.950%0.49764%0.635SS.*  trans-80.374.6-179.8-57.7170.4000107.8E212 M215 S219E212-I217 PolarHBondContact O-N 2.86Å; E212-I217 VanDerWaalsContact O-N 3.09Å; M215-I217 HydrophobicContact CB-CD1 3.75Å; M215-I217 HydrophobicContact CB-CG1 3.83Å; M215-I217 HydrophobicContact CE-CD1 4.08Å; M215-I217 PolarHBondContact O-N 2.99Å; M215-I217 HydrophobicContact SD-CD1 4.19Å; I217-S219 PolarHBondContact O-N 3.01Å
218S66.2Low77.6Confident106 Ų106109.3 Ų109.374%0.74165%0.646SS**PPolyproline II helixtrans-53.5129.4165.5177.60000108.5G216G216-S218 PolarHBondContact O-N 2.97Å
219S67.1Low75.9Confident96 Ų96112 Ų11267%0.67166%0.656SS**PPolyproline II helixtrans-51.7144.3165.6-46.40000109.4I217I217-S219 PolarHBondContact O-N 3.01Å
220P69.2Low73.8Confident116 Ų116112.9 Ų112.975%0.75367%0.666SS**PPolyproline II helixtrans-58.9139.917525-33.6000109.5
221P67.6Low71.8Confident112 Ų112114.1 Ų114.173%0.72768%0.68SS**PPolyproline II helixtrans-59.9145.3-179.225.3-34.1000110.3
222P76.5Confident69.7Low116 Ų116118 Ų11875%0.75370%0.699SS**PPolyproline II helixtrans-57.5143.2177.725.2-34.2000110
223P78Confident67.6Low117 Ų117120.5 Ų120.576%0.7671%0.714SS**PPolyproline II helixtrans-58.2142.1-179.724.9-34000110.2
224P77.3Confident65.6Low113 Ų113120.7 Ų120.773%0.73472%0.72SS**PPolyproline II helixtrans-59.5146.7-17925.3-34.3000110.7
225P75.3Confident63.9Low110 Ų110121.7 Ų121.771%0.71473%0.728SS**PPolyproline II helixtrans-58.4145178.325.4-34.3000110.4I227P225-I227 PolarHBondContact O-N 2.85Å; P225-I227 VanDerWaalsContact O-N 3.16Å
226P74.5Confident62.1Low128 Ų128120.1 Ų120.183%0.83173%0.727SS**PPolyproline II helixtrans-55.4122.1-176-26.734.9000112.1S228P226-S228 PolarHBondContact O-N 3.05Å; P226-S228 VanDerWaalsContact O-N 3.12Å
227I64.2Low60.4Low135 Ų135125 Ų12569%0.69274%0.738SS**  trans-67114.4178.1-59.2176.3000108.2P225 H229P225-I227 PolarHBondContact O-N 2.85Å; P225-I227 VanDerWaalsContact O-N 3.16Å; I227-H229 VanDerWaalsContact C-N 3.29Å; I227-H229 PolarHBondContact O-CD2 3.25Å; I227-H229 PolarHBondContact O-N 2.69Å
228S51.2Low59.4Low105 Ų105129.7 Ų129.773%0.73475%0.751SS**  trans-72.182177.358.20000110.5P226 T230P226-S228 PolarHBondContact O-N 3.05Å; P226-S228 VanDerWaalsContact O-N 3.12Å; S228-T230 PolarHBondContact O-N 2.83Å
229H57.4Low58.5Low159 Ų159134.9 Ų134.974%0.73676%0.756SS**  trans-69.494.5173.7-76.8-79.1000110.7I227 S231I227-H229 VanDerWaalsContact C-N 3.29Å; I227-H229 PolarHBondContact O-CD2 3.25Å; I227-H229 PolarHBondContact O-N 2.69Å; H229-S231 PolarHBondContact O-N 3.47Å
230T47.2Very low57.5Low125 Ų125136 Ų13677%0.76776%0.759SS**  trans-68.190.5170.7-47.40000109.9S228 I232S228-T230 PolarHBondContact O-N 2.83Å; T230-I232 PolarHBondContact O-N 3.2Å
231S49.4Very low56.4Low100 Ų100138.8 Ų138.870%0.69976%0.762SS**  trans-74.6110.3173.146.40000110.6H229 L233H229-S231 PolarHBondContact O-N 3.47Å; S231-L233 PolarHBondContact O-N 2.92Å
232I47Very low55.4Low154 Ų154136.9 Ų136.979%0.7975%0.749SS**  trans-76.3119.3166.9-64.6174.1000107.3T230T230-I232 PolarHBondContact O-N 3.2Å
233L45.8Very low54Low143 Ų143141.6 Ų141.675%0.74975%0.752SS**  trans-66147.7175.9-80.872.1000110.9S231S231-L233 PolarHBondContact O-N 2.92Å
234N45.2Very low52.4Low159 Ų159145.2 Ų145.285%0.8575%0.752SS**  trans-160.275.7145.7-100.4-20000111.7
235E52Low51.3Low177 Ų177146.6 Ų146.683%0.82775%0.751SS**  trans60.9170.1135.2-113.3-155.1130.500120.4
236P47.5Very low50Low93 Ų93145.6 Ų145.660%0.60474%0.744SS**  -128.4-176.8-103.643.4-28.6000114.6
237N43.8Very low48.9Very low163 Ų163146.1 Ų146.187%0.87274%0.74SS**  trans-152154.3142.8-112.2-56.9000113.9
238Y45.4Very low48.1Very low197 Ų197147.9 Ų147.977%0.77375%0.75SS**  trans-58.1149.9-173.7-99.4-127.4000115.6
239Y46.1Very low47.8Very low215 Ų215148.6 Ų148.684%0.84375%0.752SS**  179.6101.4106.6-88.9-61.5000114
240T47.3Very low46.7Very low118 Ų118150.4 Ų150.472%0.72476%0.761SS**  trans47.2100143.1-17.90000123.6
241E45.4Very low46.4Very low175 Ų175150.1 Ų150.182%0.81876%0.764SS**  2.3171.1121.9-92.7-145121.700122.5
242P47.3Very low46Very low72 Ų72150 Ų15047%0.46877%0.769SS.*  cis-150.7-172.5-24.739.4-18.6000118.9
243R45.8Very low45.5Very low215 Ų215151.4 Ų151.481%0.81178%0.777SS**  trans79.2147.3162.7-57.7168.3-159.1-177.87115.6
244Y45.2Very low45.1Very low193 Ų193149.3 Ų149.376%0.75777%0.774SS**  cis-163.7170.74.9-120.6-161.7000107.3
245M53.6Low44.8Very low143 Ų143152.8 Ų152.870%0.70478%0.777SS**  cis-154.2-161.71-132.3-170.7153.100108.6
246P48.1Very low44.1Very low89 Ų89152.5 Ų152.558%0.57878%0.78SS**  trans-132.7-164.7-145.237.8-11.7000118.1
247D51.7Low43.7Very low139 Ų139155.6 Ų155.674%0.74379%0.791SS**  trans76.8116.2155.5-56.8-29.1000122.5
248L47.2Very low43.4Very low172 Ų172153 Ų15390%0.90179%0.785SS**  -172164.8121.6-113.977.2000109.1
249P44.7Very low42.9Very low119 Ų119149.5 Ų149.577%0.77379%0.79SS**  trans-117.5174.4-139.416.59000116.3
250Q35.8Very low42.3Very low198 Ų198146.6 Ų146.693%0.92579%0.789SS**  trans-83.5128-175.4-62.7163.4-37.300113.8
251S39.3Very low42Very low119 Ų119150.5 Ų150.583%0.83280%0.796SS**  trans-162.395.9159.148.60000112.8
252A42Very low41.6Very low97 Ų97148.5 Ų148.580%0.80279%0.791SS**  trans-170.3-37167.900000114.3S254A252-S254 PolarHBondContact O-N 3.04Å
253L35.3Very low41Very low183 Ų183157.4 Ų157.496%0.95882%0.815SS**  trans-83.374.7-168.4-85.1163.9000113.2
254S38.3Very low40.6Very low100 Ų100155.5 Ų155.570%0.69982%0.815SS**  trans-153.847.4174.866.40000114.4A252A252-S254 PolarHBondContact O-N 3.04Å
255Y38.1Very low40.4Very low231 Ų231150.4 Ų150.491%0.90681%0.813SS**  trans-150.940.4174.7-111.8-70.2000115.9
256I38.6Very low39.8Very low172 Ų172153.3 Ų153.388%0.88282%0.822SS**  trans-133.287166.2-53.4179.2000109.9
257D38.2Very low39.3Very low157 Ų157156.7 Ų156.784%0.8484%0.835SS**  trans-156.5162.1156.2-160.4-0.2000110
258S37.7Very low38.8Very low108 Ų108155.2 Ų155.276%0.75584%0.836SS**  trans67.973.9171.771.70000118.3
259S35.8Very low38.5Very low125 Ų125155.6 Ų155.687%0.87483%0.833SS**  trans-162.358140.4-173.40000113.3
260N32.5Very low38.4Very low153 Ų153157.5 Ų157.582%0.81884%0.835SS**  trans-113.8111.5167.6-162.6-1.5000109.8
261K42Very low38.6Very low201 Ų201153.8 Ų153.887%0.87483%0.826SS**  trans-141112.3178.8-87.9-173.1174.1177.10110.8
262N35.5Very low38.7Very low133 Ų133155.9 Ų155.971%0.71182%0.822SS**  trans-57.2142.6170.4-63.2-27.7000111.8
263W36.7Very low38.9Very low258 Ų258158.5 Ų158.598%0.97782%0.823SS**  trans-144.4128.4135.1-87.4106.4000109.3
264H37.4Very low39Very low175 Ų175156.4 Ų156.481%0.8181%0.812SS**  trans-107.7160.6179-107.4-87.8000110.8
265A39.1Very low39.1Very low86 Ų86158.7 Ų158.771%0.71182%0.816SS**  trans66.6111.3159.400000118.4
266K41.5Very low39.1Very low204 Ų204156 Ų15689%0.88781%0.809SS**  -167.3141.797.9-103.3178.4179.6-176.40112.8
267D37.1Very low39Very low161 Ų161156.5 Ų156.586%0.86181%0.808SS**  trans-87.8142173.7-43.7-87.7000111.2
268S42Very low39.1Very low108 Ų108156.6 Ų156.676%0.75581%0.808SS**  trans-161.975.6161.765.50000112.2
269E39.9Very low39.3Very low179 Ų179158.4 Ų158.484%0.83681%0.809SS**  trans7.4115.1138.5-176174.4-139.500118
270I43.2Very low39.7Very low159 Ų159159.9 Ų159.982%0.81580%0.802SS**  trans-139.2100.4152.3-58.2-177.2000108.7
271T40.5Very low40.1Very low120 Ų120162.2 Ų162.274%0.73681%0.806SS**  trans-113.8106.7175-44.20000109.1N273T271-N273 PolarHBondContact O-N 3.45Å
272H41.7Very low40.1Very low163 Ų163158.5 Ų158.576%0.75580%0.795SS**  trans-8187.2-167.4-160.8-49000112.7
273N45.7Very low40.5Very low153 Ų153159.4 Ų159.482%0.81880%0.8SS**  trans-75139.3177.5-115.5-30.1000112.4T271T271-N273 PolarHBondContact O-N 3.45Å
274L37.6Very low40.9Very low139 Ų139151.7 Ų151.773%0.72879%0.785SS**  trans-123107.1179.5-90.1164.2000110
275N39.6Very low41.2Very low147 Ų147148.5 Ų148.579%0.78678%0.778SS**  trans-177.8152.6142.3-108-67.4000113.3
276K38.5Very low41.7Very low174 Ų174151 Ų15176%0.75778%0.78SS**  trans38.2105.3159.2-64.7178.6178.2-178.70117.9
277Q36.7Very low42Very low183 Ų183145.2 Ų145.286%0.85577%0.765SS**  66.1100.571.3-168.9177.87.900112.1
278N39.9Very low42.6Very low160 Ų160147.7 Ų147.786%0.85676%0.764SS**  trans-108.9160.5170.9-107.4-7.9000110.1
279D42.5Very low43Very low145 Ų145150.1 Ų150.178%0.77577%0.768SS**  trans-81.2164.2-165.4-73.8-68.7000117.3
280H44.3Very low43.6Very low156 Ų156149 Ų14972%0.72277%0.768SS**  trans-10.4137.1157.7-68.6-95.1000118.7
281F41.3Very low44.4Very low203 Ų203151.7 Ų151.789%0.8979%0.792SS**  -151.8154.7111.6-133.8-96.9000113
282N41Very low44.6Very low122 Ų122153.3 Ų153.365%0.65279%0.794SS**  trans-88.8145.2-177.6-66.7-30.5000112.2
283N44.3Very low44.8Very low152 Ų152152.8 Ų152.881%0.81380%0.797SS**  -174.7161106.2-98.8-22000115.2
284S44.1Very low44.7Very low96 Ų96152.8 Ų152.867%0.67180%0.795SS**  trans-16.5153.5162.957.40000118.9
285T45Very low45.2Very low108 Ų108153.6 Ų153.666%0.66380%0.799SS**  cis-167.2160.942.5-24.60000112.4
286N49.5Very low45.5Very low138 Ų138154 Ų15474%0.73880%0.8SS**  trans53.9100.2153.8-64.8-11.6000118.5
287S47.1Very low46Very low84 Ų84152.7 Ų152.759%0.58780%0.803SS**  77.812176.372.90000115.7
288Y50Low46.6Very low212 Ų212150.5 Ų150.583%0.83180%0.799SS**  -178.2144.4118.4-99.7-65.2000113.1
289L50.7Low47.2Very low159 Ų159149.8 Ų149.883%0.83280%0.795SS**  trans59.5108.3157.2-72.3157.8000120.5
290N51.6Low47.6Very low157 Ų157150.2 Ų150.284%0.8480%0.797SS**  trans-87.3144.9150.5-72.2-18000110.3
291T61.8Low47.8Very low215 Ų215149.6 Ų149.6100%1.31980%0.803SS**  trans-148.20131.448.30000108.2

Retrieved 291 of 291 residues in 51.5 ms (Link to these results)

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