A0A3Q0KNK9_SCHMA Loading...

PMP-22/EMP/MP20/Claudin tight junction

AlphaFold DB , UniProt , Accession A0A3Q0KNK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 406 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
1M61.6Low83.4Confident187 Ų18783.8 Ų83.892%0.92141%0.413SS*.  0-3.70-73176.6170.600114.6P4M1-P4 WeakPolarHBondContact O-CD 3.38Å
2Y71.1Confident84.2Confident176 Ų17677 Ų7769%0.6938%0.38SS*.Hα-helixtrans-82.2-22.5-172.2-57.9-73.6000116.8F5 Y6Y2-F5 PolarHBondContact O-N 3.23Å; Y2-Y6 HydrophobicContact CG-CE2 4.47Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.49Å; Y2-Y6 PolarHBondContact O-N 3.48Å
3M79.1Confident84.9Confident169 Ų16974.9 Ų74.983%0.83338%0.382SS*.Hα-helixtrans-57.9-47.4-175.5-71-158.2172.400115.2F5 A7M3-F5 VanDerWaalsContact C-N 3.31Å; M3-F5 PolarHBondContact O-N 3.17Å; M3-A7 PolarHBondContact O-N 3.18Å
4P84.1Confident85.6Confident47 Ų4775.2 Ų75.231%0.30538%0.384SS..Hα-helixtrans-68.5-30.7-179.527.4-35.7000112.6M1 A7 A8 I186M1-P4 WeakPolarHBondContact O-CD 3.38Å; P4-A7 PolarHBondContact O-N 3.42Å; P4-A8 PolarHBondContact O-N 3.31Å; P4-I186 HydrophobicContact CB-CD1 4.04Å; P4-I186 HydrophobicContact CB-CG1 3.84Å; P4-I186 HydrophobicContact CG-CD1 4.32Å; P4-I186 HydrophobicContact CG-CG1 3.87Å
5F82.9Confident86.3Confident33 Ų3370.3 Ų70.315%0.14536%0.36CS..Hα-helixtrans-67.4-48.1-179.5-179.3-98.1000111.7Y2 M3 A7 A8 C9 Y112 I186Y2-F5 PolarHBondContact O-N 3.23Å; M3-F5 VanDerWaalsContact C-N 3.31Å; M3-F5 PolarHBondContact O-N 3.17Å; F5-A7 VanDerWaalsContact C-N 3.28Å; F5-A7 PolarHBondContact O-N 3.03Å; F5-A8 WeakPolarHBondContact O-CB 3.31Å; F5-A8 PolarHBondContact O-N 3.05Å; F5-C9 VanDerWaalsContact CE1-SG 3.51Å; F5-C9 WeakPolarHBondContact CZ-SG 3.31Å; F5-C9 PolarHBondContact O-N 3.32Å; F5-C9 PolarHBondContact O-SG 3.21Å; F5-C9 VanDerWaalsContact O-SG 3.38Å; F5-Y112 HydrophobicContact CE1-CE1 4.08Å; F5-Y112 HydrophobicContact CE2-CD1 4.33Å; F5-Y112 AromaticContact CE2-CE1 3.79Å; F5-Y112 HydrophobicContact CE2-CE1 3.79Å; F5-Y112 AromaticContact CZ-CD1 3.69Å; F5-Y112 HydrophobicContact CZ-CD1 3.69Å; F5-Y112 AromaticContact CZ-CE1 3.34Å; F5-Y112 HydrophobicContact CZ-CE1 3.34Å; F5-I186 VanDerWaalsContact CA-CD1 3.49Å; F5-I186 HydrophobicContact CB-CD1 3.97Å; F5-I186 HydrophobicContact CD2-CD1 4.32Å
6Y85.7Confident86.9Confident119 Ų11969.1 Ų69.147%0.46735%0.351SS..Hα-helixtrans-61.7-38.8175.6-69.9-61.4000111.9Y2 C9 I10Y2-Y6 HydrophobicContact CG-CE2 4.47Å; Y2-Y6 WeakPolarHBondContact O-CD2 3.49Å; Y2-Y6 PolarHBondContact O-N 3.48Å; Y6-C9 PolarHBondContact O-N 3.5Å; Y6-I10 WeakPolarHBondContact O-CB 3.17Å; Y6-I10 WeakPolarHBondContact O-CD1 3.32Å; Y6-I10 WeakPolarHBondContact O-CG1 3.48Å; Y6-I10 PolarHBondContact O-N 3.08Å
7A90Very high87.4Confident36 Ų3670.6 Ų70.630%0.29836%0.36SS..Hα-helixtrans-60.9-44.4174.900000111.9M3 P4 F5 I10 S11M3-A7 PolarHBondContact O-N 3.18Å; P4-A7 PolarHBondContact O-N 3.42Å; F5-A7 VanDerWaalsContact C-N 3.28Å; F5-A7 PolarHBondContact O-N 3.03Å; A7-I10 PolarHBondContact O-N 3.45Å; A7-S11 WeakPolarHBondContact O-CB 3.39Å; A7-S11 PolarHBondContact O-N 2.95Å; A7-S11 PolarHBondContact O-OG 3.4Å
8A89.7Confident87.9Confident1 Ų169.5 Ų69.51%0.00835%0.352CS..Hα-helixtrans-58.9-51.9174.600000111.4P4 F5 I10 S11 A12 S179 F182 L183P4-A8 PolarHBondContact O-N 3.31Å; F5-A8 WeakPolarHBondContact O-CB 3.31Å; F5-A8 PolarHBondContact O-N 3.05Å; A8-I10 PolarHBondContact O-N 3.49Å; A8-S11 PolarHBondContact O-N 3.11Å; A8-S11 VanDerWaalsContact O-N 3.17Å; A8-S11 PolarHBondContact O-OG 3.11Å; A8-A12 WeakPolarHBondContact O-CB 2.99Å; A8-A12 PolarHBondContact O-N 3.38Å; A8-S179 PolarHBondContact O-OG 2.84Å; A8-F182 HydrophobicContact CB-CB 3.82Å; A8-L183 HydrophobicContact CB-CD2 3.91Å; A8-L183 HydrophobicContact CB-CG 3.97Å
9C88.3Confident88.4Confident35 Ų3565.9 Ų65.924%0.23633%0.334CS..Hα-helixtrans-58.9-43.7179.3-66.10000112.8F5 Y6 A12 A13F5-C9 VanDerWaalsContact CE1-SG 3.51Å; F5-C9 WeakPolarHBondContact CZ-SG 3.31Å; F5-C9 PolarHBondContact O-N 3.32Å; F5-C9 PolarHBondContact O-SG 3.21Å; F5-C9 VanDerWaalsContact O-SG 3.38Å; Y6-C9 PolarHBondContact O-N 3.5Å; C9-A12 PolarHBondContact O-N 3.46Å; C9-A13 WeakPolarHBondContact O-CB 3.47Å; C9-A13 PolarHBondContact O-N 3.4Å
10I91.9Very high88.8Confident105 Ų10567.3 Ų67.354%0.53834%0.338SS..Hα-helixtrans-62.8-45.4177.4-68.8164.8000110Y6 A7 A8 A12 A13 L14Y6-I10 WeakPolarHBondContact O-CB 3.17Å; Y6-I10 WeakPolarHBondContact O-CD1 3.32Å; Y6-I10 WeakPolarHBondContact O-CG1 3.48Å; Y6-I10 PolarHBondContact O-N 3.08Å; A7-I10 PolarHBondContact O-N 3.45Å; A8-I10 PolarHBondContact O-N 3.49Å; I10-A12 PolarHBondContact O-N 3.48Å; I10-A13 PolarHBondContact O-N 3.16Å; I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 HydrophobicContact CG2-CG 4.48Å; I10-L14 WeakPolarHBondContact O-CB 3.42Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.33Å
11S93Very high89.1Confident14 Ų1467.6 Ų67.610%0.09834%0.34CS..Hα-helixtrans-65.3-37.2178.470.50000112.9A7 A8 G15 S179A7-S11 WeakPolarHBondContact O-CB 3.39Å; A7-S11 PolarHBondContact O-N 2.95Å; A7-S11 PolarHBondContact O-OG 3.4Å; A8-S11 PolarHBondContact O-N 3.11Å; A8-S11 VanDerWaalsContact O-N 3.17Å; A8-S11 PolarHBondContact O-OG 3.11Å; S11-G15 PolarHBondContact O-N 3.41Å; S11-S179 VanDerWaalsContact OG-CA 3.23Å; S11-S179 WeakPolarHBondContact OG-CA 3.49Å; S11-S179 WeakPolarHBondContact OG-CB 3.36Å
12A92.6Very high90.7Very high2 Ų258.7 Ų58.72%0.01730%0.296CS..Hα-helixtrans-65.4-43.6174.900000111.9A8 C9 I10 G15 F16 L109A8-A12 WeakPolarHBondContact O-CB 2.99Å; A8-A12 PolarHBondContact O-N 3.38Å; C9-A12 PolarHBondContact O-N 3.46Å; I10-A12 PolarHBondContact O-N 3.48Å; A12-G15 PolarHBondContact O-N 3.02Å; A12-F16 PolarHBondContact O-N 2.98Å; A12-L109 HydrophobicContact CB-CD1 4.46Å
13A93.2Very high91.8Very high50 Ų5052 Ų5241%0.41327%0.271SS..Hα-helixtrans-65.8-43.3177.400000112C9 I10 F16 L17C9-A13 WeakPolarHBondContact O-CB 3.47Å; C9-A13 PolarHBondContact O-N 3.4Å; I10-A13 PolarHBondContact O-N 3.16Å; A13-F16 WeakPolarHBondContact O-CB 3.43Å; A13-F16 PolarHBondContact O-N 2.89Å; A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.3Å
14L95.6Very high92.5Very high79 Ų7947.3 Ų47.341%0.41425%0.254SS..Hα-helixtrans-61.9-44.6173.3-73.3173.4000111.6I10 F16 L17 F18I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 HydrophobicContact CG2-CG 4.48Å; I10-L14 WeakPolarHBondContact O-CB 3.42Å; I10-L14 WeakPolarHBondContact O-CG 3.5Å; I10-L14 PolarHBondContact O-N 3.33Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 2.8Å; L14-L17 PolarHBondContact O-N 3.28Å; L14-F18 HydrophobicContact CB-CE2 4.35Å; L14-F18 WeakPolarHBondContact O-CD2 3.4Å; L14-F18 WeakPolarHBondContact O-CG 3.46Å; L14-F18 PolarHBondContact O-N 2.98Å
15G95.6Very high92.8Very high1 Ų145.5 Ų45.51%0.0124%0.243CC..Hα-helixtrans-58.7-39.117500000112.6S11 A12 F19 A172S11-G15 PolarHBondContact O-N 3.41Å; A12-G15 PolarHBondContact O-N 3.02Å; G15-F19 VanDerWaalsContact O-CB 3.28Å; G15-F19 WeakPolarHBondContact O-CB 3.38Å; G15-F19 PolarHBondContact O-N 3.22Å; G15-A172 WeakPolarHBondContact O-CB 3.31Å
16F95.7Very high93.2Very high51 Ų5145.6 Ų45.622%0.22425%0.247CC..Hα-helixtrans-64.4-45.1174.4178.2-109.1000113.2A12 A13 L14 F18 F19 F20 F99 K102 I106A12-F16 PolarHBondContact O-N 2.98Å; A13-F16 WeakPolarHBondContact O-CB 3.43Å; A13-F16 PolarHBondContact O-N 2.89Å; L14-F16 VanDerWaalsContact C-N 3.28Å; L14-F16 PolarHBondContact O-N 2.8Å; F16-F18 PolarHBondContact O-N 3.11Å; F16-F19 PolarHBondContact O-N 3.27Å; F16-F20 WeakPolarHBondContact O-CB 3.38Å; F16-F20 PolarHBondContact O-N 3.47Å; F16-F99 HydrophobicContact CE2-CE2 4.22Å; F16-K102 HydrophobicContact CD2-CG 3.94Å; F16-I106 HydrophobicContact CB-CD1 3.35Å; F16-I106 HydrophobicContact CD1-CD1 4Å; F16-I106 HydrophobicContact CD2-CD1 3.24Å; F16-I106 HydrophobicContact CE2-CD1 3.99Å; F16-I106 HydrophobicContact CG-CD1 3.23Å
17L96.4Very high93.6Very high96 Ų9643.5 Ų43.550%0.50324%0.239SC..Hα-helixtrans-60.7-47.2178.7-69.4175.4000111A13 L14 F19 F20 L21A13-L17 WeakPolarHBondContact O-CG 3.35Å; A13-L17 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 3.28Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 3.41Å; L17-F20 PolarHBondContact O-N 3.04Å; L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.32Å
18F96.4Very high93.8Very high50 Ų5041.8 Ų41.822%0.21923%0.225CC..Hα-helixtrans-62.8-40175.8-62.9-43.5000112.2L14 F16 L21 S22 F168 L171 A172L14-F18 HydrophobicContact CB-CE2 4.35Å; L14-F18 WeakPolarHBondContact O-CD2 3.4Å; L14-F18 WeakPolarHBondContact O-CG 3.46Å; L14-F18 PolarHBondContact O-N 2.98Å; F16-F18 PolarHBondContact O-N 3.11Å; F18-L21 PolarHBondContact O-N 3.16Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 3.16Å; F18-F168 HydrophobicContact CB-CB 4.37Å; F18-F168 AromaticContact CD1-CD1 3.93Å; F18-F168 HydrophobicContact CD1-CD1 3.93Å; F18-F168 HydrophobicContact CD1-CE1 4.18Å; F18-F168 HydrophobicContact CE1-CE1 4.39Å; F18-L171 HydrophobicContact CD1-CD2 4.12Å; F18-L171 HydrophobicContact CD2-CB 4.35Å; F18-L171 HydrophobicContact CD2-CD2 3.53Å; F18-L171 HydrophobicContact CD2-CG 3.61Å; F18-L171 HydrophobicContact CE1-CD2 3.96Å; F18-L171 HydrophobicContact CE2-CD2 3.33Å; F18-L171 HydrophobicContact CE2-CG 3.73Å; F18-L171 HydrophobicContact CG-CD2 3.94Å; F18-L171 HydrophobicContact CG-CG 4.24Å; F18-L171 HydrophobicContact CZ-CD2 3.56Å; F18-L171 HydrophobicContact CZ-CG 4.45Å; F18-A172 HydrophobicContact CB-CB 4.14Å
19F96.6Very high93.9Very high1 Ų142 Ų420%0.00423%0.225CC..Hα-helixtrans-64.7-45177.2-174-159.5000112.1G15 F16 L17 L21 S22 F23 I95 A98 F99 K102 L137 A172G15-F19 VanDerWaalsContact O-CB 3.28Å; G15-F19 WeakPolarHBondContact O-CB 3.38Å; G15-F19 PolarHBondContact O-N 3.22Å; F16-F19 PolarHBondContact O-N 3.27Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 3.41Å; F19-L21 PolarHBondContact O-N 3.34Å; F19-S22 PolarHBondContact O-N 3.29Å; F19-F23 VanDerWaalsContact O-CB 3.31Å; F19-F23 WeakPolarHBondContact O-CB 3.5Å; F19-F23 PolarHBondContact O-N 2.93Å; F19-I95 HydrophobicContact CE2-CD1 3.82Å; F19-I95 HydrophobicContact CE2-CG1 3.5Å; F19-I95 HydrophobicContact CZ-CG1 3.79Å; F19-A98 HydrophobicContact CE1-CB 4.28Å; F19-A98 HydrophobicContact CZ-CB 4.02Å; F19-F99 HydrophobicContact CD1-CD2 4.31Å; F19-F99 HydrophobicContact CE1-CB 3.93Å; F19-F99 HydrophobicContact CE1-CD2 4.08Å; F19-F99 HydrophobicContact CZ-CB 3.85Å; F19-F99 HydrophobicContact CZ-CD2 4.33Å; F19-K102 HydrophobicContact CD1-CB 4.24Å; F19-K102 HydrophobicContact CD1-CG 4.21Å; F19-K102 HydrophobicContact CE1-CB 4.24Å; F19-L137 HydrophobicContact CD2-CD2 4.14Å; F19-L137 HydrophobicContact CE1-CD2 4.12Å; F19-L137 HydrophobicContact CE2-CD2 3.64Å; F19-L137 HydrophobicContact CZ-CD2 3.63Å; F19-A172 HydrophobicContact CB-CB 3.82Å
20F96.2Very high94.1Very high93 Ų9342.1 Ų42.141%0.40822%0.223SC..Hα-helixtrans-62.5-42.8178177.3-100.4000112.1F16 L17 S22 F23 S24 F99F16-F20 WeakPolarHBondContact O-CB 3.38Å; F16-F20 PolarHBondContact O-N 3.47Å; L17-F20 PolarHBondContact O-N 3.04Å; F20-S22 VanDerWaalsContact C-N 3.34Å; F20-F23 PolarHBondContact O-N 3.01Å; F20-S24 WeakPolarHBondContact O-CB 3.33Å; F20-S24 PolarHBondContact O-N 3.29Å; F20-S24 PolarHBondContact O-OG 2.95Å; F20-F99 AromaticContact CD2-CE2 4Å; F20-F99 HydrophobicContact CD2-CE2 4Å; F20-F99 HydrophobicContact CD2-CZ 4.11Å
21L95.3Very high94Very high75 Ų7537.3 Ų37.339%0.39320%0.198SC..Hα-helixtrans-62.5-42.2174.8-70.7174.7000111.4L17 F18 F19 S25 F168L17-L21 WeakPolarHBondContact O-CB 3.44Å; L17-L21 VanDerWaalsContact O-CG 3.26Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.32Å; F18-L21 PolarHBondContact O-N 3.16Å; F19-L21 PolarHBondContact O-N 3.34Å; L21-S25 WeakPolarHBondContact O-CB 3.48Å; L21-S25 PolarHBondContact O-N 2.87Å; L21-S25 VanDerWaalsContact O-N 3.13Å; L21-F168 HydrophobicContact CB-CD2 4.12Å; L21-F168 HydrophobicContact CD1-CE2 4.36Å
22S94.9Very high93.9Very high0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-64.7-44.9175.5-174.40000112.1F18 F19 F20 S24 S25 W28 S165 I169F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 3.16Å; F19-S22 PolarHBondContact O-N 3.29Å; F20-S22 VanDerWaalsContact C-N 3.34Å; S22-S24 PolarHBondContact O-N 2.9Å; S22-S25 PolarHBondContact O-N 2.91Å; S22-W28 PolarHBondContact O-NE1 3.39Å; S22-W28 WeakPolarHBondContact OG-CZ2 3.34Å; S22-S165 WeakPolarHBondContact CB-O 3.19Å; S22-S165 PolarHBondContact OG-O 2.94Å; S22-I169 WeakPolarHBondContact OG-CB 3.16Å
23F94.3Very high93.6Very high36 Ų3648.5 Ų48.516%0.15825%0.249CC..Hα-helixtrans-64.8-40.6-177.6-178.9-94.5000113.1F19 F20 W45 I95 T96 F99F19-F23 VanDerWaalsContact O-CB 3.31Å; F19-F23 WeakPolarHBondContact O-CB 3.5Å; F19-F23 PolarHBondContact O-N 2.93Å; F20-F23 PolarHBondContact O-N 3.01Å; F23-W45 AromaticContact CD2-NE1 3.87Å; F23-W45 AromaticContact CE1-NE1 3.66Å; F23-W45 AromaticContact CE2-CE2 3.88Å; F23-W45 AromaticContact CE2-CZ2 3.82Å; F23-W45 HydrophobicContact CE2-CZ2 3.82Å; F23-W45 AromaticContact CE2-NE1 3.32Å; F23-W45 VanDerWaalsContact CE2-NE1 3.32Å; F23-W45 AromaticContact CZ-CE2 3.72Å; F23-W45 AromaticContact CZ-CZ2 3.79Å; F23-W45 HydrophobicContact CZ-CZ2 3.79Å; F23-W45 AromaticContact CZ-NE1 3.2Å; F23-I95 HydrophobicContact CD2-CD1 4.24Å; F23-I95 HydrophobicContact CD2-CG1 4.3Å; F23-I95 HydrophobicContact CD2-CG2 4.3Å; F23-I95 HydrophobicContact CE2-CG2 4.18Å; F23-T96 HydrophobicContact CE2-CG2 4.12Å; F23-T96 HydrophobicContact CZ-CG2 4.32Å; F23-F99 HydrophobicContact CD1-CD2 4.5Å; F23-F99 HydrophobicContact CD2-CB 4.5Å; F23-F99 HydrophobicContact CE2-CB 4.43Å; F23-F99 HydrophobicContact CG-CD2 4.31Å
24S93Very high93.1Very high69 Ų6957.4 Ų57.448%0.48327%0.272SS..Hα-helixtrans-84.4-17.1-178.757.40000114F20 S22F20-S24 WeakPolarHBondContact O-CB 3.33Å; F20-S24 PolarHBondContact O-N 3.29Å; F20-S24 PolarHBondContact O-OG 2.95Å; S22-S24 PolarHBondContact O-N 2.9Å
25S92.2Very high92.3Very high9 Ų956.1 Ų56.16%0.06327%0.267CS..  trans-86.8136.4-171.31760000113.7L21 S22 Y27 W164 S165L21-S25 WeakPolarHBondContact O-CB 3.48Å; L21-S25 PolarHBondContact O-N 2.87Å; L21-S25 VanDerWaalsContact O-N 3.13Å; S22-S25 PolarHBondContact O-N 2.91Å; S25-Y27 PolarHBondContact O-N 3.34Å; S25-Y27 WeakPolarHBondContact OG-CD2 3.5Å; S25-Y27 PolarHBondContact OG-N 2.74Å; S25-W164 VanDerWaalsContact CB-CH2 3.5Å; S25-W164 WeakPolarHBondContact OG-CH2 3.18Å; S25-W164 WeakPolarHBondContact OG-CZ2 3.34Å; S25-S165 WeakPolarHBondContact CB-OG 3.23Å; S25-S165 PolarHBondContact OG-OG 3.29Å
26P91.2Very high91.5Very high36 Ų3665.3 Ų65.323%0.23431%0.309CS..SBendtrans-81.516.317735.8-37.2000114.3H41 M42 G43P26-H41 PolarHBondContact O-ND1 3.25Å; P26-M42 CarbonylContact O-C 3Å; P26-M42 PolarHBondContact O-N 3.41Å; P26-G43 PolarHBondContact O-N 3.25Å; P26-G43 VanDerWaalsContact O-N 3.15Å
27Y93.3Very high90.8Very high74 Ų7463.9 Ų63.929%0.2931%0.306SS..  trans-115.752.3-173.7-61.9-84.6000112.8S25 H41 S163 W164 S165S25-Y27 PolarHBondContact O-N 3.34Å; S25-Y27 WeakPolarHBondContact OG-CD2 3.5Å; S25-Y27 PolarHBondContact OG-N 2.74Å; Y27-H41 HydrophobicContact CD1-CB 4.09Å; Y27-H41 AromaticContact CD1-CG 3.99Å; Y27-H41 HydrophobicContact CE1-CB 4.36Å; Y27-H41 AromaticContact CE1-CD2 3.57Å; Y27-H41 AromaticContact CE1-CG 3.82Å; Y27-H41 AromaticContact CE1-NE2 3.84Å; Y27-S163 CarbonylContact O-C 3.51Å; Y27-S163 VanDerWaalsContact O-CB 3.25Å; Y27-S163 WeakPolarHBondContact O-CB 3.42Å; Y27-W164 VanDerWaalsContact CB-NE1 3.25Å; Y27-W164 AromaticContact CD1-NE1 3.93Å; Y27-W164 AromaticContact CD2-CE2 3.68Å; Y27-W164 AromaticContact CD2-CZ2 3.41Å; Y27-W164 HydrophobicContact CD2-CZ2 3.41Å; Y27-W164 VanDerWaalsContact CD2-CZ2 3.41Å; Y27-W164 AromaticContact CD2-NE1 3.53Å; Y27-W164 HydrophobicContact CE2-CZ2 4.11Å; Y27-W164 AromaticContact CG-CE2 3.83Å; Y27-W164 HydrophobicContact CG-CZ2 4.06Å; Y27-W164 AromaticContact CG-NE1 3.3Å; Y27-W164 VanDerWaalsContact CG-NE1 3.3Å; Y27-S165 WeakPolarHBondContact O-CB 3.43Å; Y27-S165 PolarHBondContact O-N 2.71Å; Y27-S165 PolarHBondContact O-OG 3.49Å; Y27-S165 VanDerWaalsContact O-OG 3.12Å
28W93.6Very high90.2Very high1 Ų161.5 Ų61.50%0.00430%0.297CS..SBendtrans-80.9-45.6170-80.158.7000111.1S22 M42 I44 I95 F144 L162 S163 F166 I169S22-W28 PolarHBondContact O-NE1 3.39Å; S22-W28 WeakPolarHBondContact OG-CZ2 3.34Å; W28-M42 WeakPolarHBondContact CA-O 3.45Å; W28-M42 WeakPolarHBondContact CB-O 3.5Å; W28-M42 PolarHBondContact N-O 3.3Å; W28-I44 HydrophobicContact CD2-CD1 4.13Å; W28-I44 HydrophobicContact CD2-CG1 3.89Å; W28-I44 HydrophobicContact CE3-CG1 4.37Å; W28-I44 HydrophobicContact CG-CG1 4.34Å; W28-I44 HydrophobicContact CH2-CD1 3.75Å; W28-I44 HydrophobicContact CH2-CG1 4.25Å; W28-I44 HydrophobicContact CZ2-CD1 3.13Å; W28-I44 HydrophobicContact CZ2-CG1 3.82Å; W28-I44 HydrophobicContact CZ3-CD1 4.49Å; W28-I95 HydrophobicContact CH2-CD1 3.8Å; W28-I95 HydrophobicContact CZ2-CD1 3.78Å; W28-F144 HydrophobicContact CB-CE1 4.36Å; W28-F144 HydrophobicContact CB-CZ 3.93Å; W28-F144 AromaticContact CE3-CD1 3.91Å; W28-F144 HydrophobicContact CE3-CD1 3.91Å; W28-F144 AromaticContact CE3-CD2 3.98Å; W28-F144 HydrophobicContact CE3-CD2 3.98Å; W28-F144 AromaticContact CE3-CE1 3.81Å; W28-F144 HydrophobicContact CE3-CE1 3.81Å; W28-F144 AromaticContact CE3-CE2 3.9Å; W28-F144 HydrophobicContact CE3-CE2 3.9Å; W28-F144 AromaticContact CE3-CG 4Å; W28-F144 HydrophobicContact CE3-CG 4Å; W28-F144 AromaticContact CE3-CZ 3.81Å; W28-F144 HydrophobicContact CE3-CZ 3.81Å; W28-F144 HydrophobicContact CZ3-CB 4.48Å; W28-F144 HydrophobicContact CZ3-CD1 4.25Å; W28-F144 HydrophobicContact CZ3-CD2 4.19Å; W28-F144 HydrophobicContact CZ3-CG 4.04Å; W28-L162 WeakPolarHBondContact O-CA 3.31Å; W28-S163 PolarHBondContact O-N 3.45Å; W28-F166 AromaticContact CE3-CD2 3.95Å; W28-F166 HydrophobicContact CE3-CD2 3.95Å; W28-F166 HydrophobicContact CZ3-CD2 4.02Å; W28-F166 HydrophobicContact CZ3-CE2 4.49Å; W28-I169 HydrophobicContact CH2-CB 4.27Å; W28-I169 HydrophobicContact CH2-CD1 3.49Å; W28-I169 VanDerWaalsContact CH2-CD1 3.49Å; W28-I169 HydrophobicContact CH2-CG1 4.47Å; W28-I169 HydrophobicContact CH2-CG2 3.86Å; W28-I169 HydrophobicContact CZ2-CB 4.38Å; W28-I169 HydrophobicContact CZ2-CD1 4.11Å; W28-I169 HydrophobicContact CZ2-CG2 4.21Å; W28-I169 HydrophobicContact CZ3-CD1 4.47Å; W28-I169 HydrophobicContact CZ3-CG2 4.31Å
29L92.2Very high89.7Confident5 Ų559.5 Ų59.53%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-123.9133.6176.1-164.971.3000108.4F39 H41 M42 W153 M154 L162L29-F39 HydrophobicContact CD2-CE1 4.05Å; L29-F39 HydrophobicContact CD2-CZ 4.22Å; L29-F39 HydrophobicContact CG-CE1 4.41Å; L29-H41 CarbonylContact O-C 3.52Å; L29-H41 WeakPolarHBondContact O-CA 3.44Å; L29-H41 WeakPolarHBondContact O-CB 3.47Å; L29-M42 PolarHBondContact N-O 3.22Å; L29-M42 PolarHBondContact O-N 3.03Å; L29-W153 HydrophobicContact CD2-CH2 4.35Å; L29-W153 HydrophobicContact CD2-CZ3 4.07Å; L29-M154 HydrophobicContact CD2-SD 4.43Å; L29-L162 HydrophobicContact CD1-CD1 4.2Å
30Q92.4Very high89.4Confident38 Ų3862.8 Ų62.818%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-135.3142.4-179.5-176.8170.23.200109.9H41 Y160 F161 S163Q30-H41 HydrophobicContact CB-CB 4.35Å; Q30-H41 HydrophobicContact CG-CB 4.36Å; Q30-Y160 CarbonylContact O-C 3.58Å; Q30-Y160 WeakPolarHBondContact O-CA 3.29Å; Q30-F161 HydrophobicContact CB-CE1 4.01Å; Q30-F161 HydrophobicContact CB-CE2 4.05Å; Q30-F161 HydrophobicContact CB-CZ 3.72Å; Q30-F161 HydrophobicContact CG-CE1 3.93Å; Q30-F161 HydrophobicContact CG-CE2 4.43Å; Q30-F161 HydrophobicContact CG-CZ 3.65Å; Q30-F161 PolarHBondContact N-O 3.35Å; Q30-F161 VanDerWaalsContact O-CD1 3.28Å; Q30-F161 WeakPolarHBondContact O-CD1 3.3Å; Q30-F161 PolarHBondContact O-N 3.46Å; Q30-S163 PolarHBondContact OE1-OG 2.9Å
31S91Very high89.2Confident4 Ų459 Ų593%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-82150.5172.1590000111.5D33 F39 L40 Q159S31-D33 PolarHBondContact O-N 2.87Å; S31-F39 WeakPolarHBondContact CB-O 3.38Å; S31-F39 PolarHBondContact OG-O 3.25Å; S31-L40 PolarHBondContact N-O 3.46Å; S31-L40 PolarHBondContact OG-O 3.24Å; S31-L40 VanDerWaalsContact OG-O 3.09Å; S31-Q159 WeakPolarHBondContact CA-O 3.22Å
32Y90Very high89Confident114 Ų11455.6 Ų55.645%0.44727%0.271SS..  trans-66.7127.2173-70.8-78.1000110.6R34 V35 Q159 F161Y32-R34 PolarHBondContact O-N 3.12Å; Y32-V35 PolarHBondContact O-N 3.4Å; Y32-V35 VanDerWaalsContact O-O 3.05Å; Y32-Q159 VanDerWaalsContact CD2-O 3.32Å; Y32-Q159 WeakPolarHBondContact CD2-O 3.36Å; Y32-Q159 PolarHBondContact N-O 2.83Å; Y32-Q159 VanDerWaalsContact N-O 3.11Å; Y32-F161 AromaticContact CD1-CD1 3.79Å; Y32-F161 HydrophobicContact CD1-CD1 3.79Å; Y32-F161 HydrophobicContact CD1-CE1 4.07Å; Y32-F161 HydrophobicContact CD2-CD1 4.2Å; Y32-F161 HydrophobicContact CE1-CB 4.44Å; Y32-F161 AromaticContact CE1-CD1 3.71Å; Y32-F161 HydrophobicContact CE1-CD1 3.71Å; Y32-F161 HydrophobicContact CE1-CE1 4.33Å; Y32-F161 HydrophobicContact CE1-CG 4.29Å; Y32-F161 HydrophobicContact CE2-CB 4.28Å; Y32-F161 HydrophobicContact CE2-CD1 4.11Å; Y32-F161 HydrophobicContact CG-CD1 4.04Å; Y32-F161 HydrophobicContact CG-CE1 4.4Å; Y32-F161 AromaticContact CZ-CD1 3.88Å
33D85.6Confident88.9Confident136 Ų13655.7 Ų55.773%0.72727%0.272SS*.THydrogen-bonded Turntrans-56.3-24.2179.2-57.7-41.1000113.8S31 V35S31-D33 PolarHBondContact O-N 2.87Å; D33-V35 VanDerWaalsContact C-N 3.31Å
34R83.5Confident88.8Confident238 Ų23854 Ų5490%0.89827%0.265SS*.THydrogen-bonded Turntrans-74.2-23.4178.6-61.5-174.6-176.3179.41.9112.9Y32Y32-R34 PolarHBondContact O-N 3.12Å
35V79.5Confident88.8Confident52 Ų5253.5 Ų53.532%0.31525%0.252SS..SBendtrans-100.9115.2-179.9-1770000106.5Y32 D33 S37 Q159Y32-V35 PolarHBondContact O-N 3.4Å; Y32-V35 VanDerWaalsContact O-O 3.05Å; D33-V35 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 3.32Å; V35-Q159 HydrophobicContact CG1-CB 4.3Å; V35-Q159 HydrophobicContact CG1-CG 3.94Å
36H79.3Confident88.8Confident193 Ų19355.1 Ų55.189%0.89426%0.264SS*.  trans-70.978.2174.6-65.973.4000108.6
37S80.7Confident88.9Confident21 Ų2153.4 Ų53.415%0.14725%0.253CS..  trans-91.9140.1172.4-173.60000108.9V35 F39 Y160V35-S37 PolarHBondContact O-N 3.32Å; S37-F39 PolarHBondContact O-N 2.89Å; S37-F39 PolarHBondContact OG-N 2.89Å; S37-Y160 PolarHBondContact OG-OH 3.04Å
38S83.1Confident88.8Confident46 Ų4650 Ų5032%0.32224%0.24SC..SBendtrans-71-13174.8-55.50000113.2F49 D50S38-F49 CarbonylContact O-C 3.59Å; S38-F49 WeakPolarHBondContact O-CA 3.42Å; S38-D50 VanDerWaalsContact CA-O 3.23Å; S38-D50 WeakPolarHBondContact CA-O 3.43Å; S38-D50 WeakPolarHBondContact CB-O 3.19Å; S38-D50 PolarHBondContact O-N 3.46Å
39F85.9Confident88.7Confident8 Ų850.3 Ų50.34%0.03524%0.241CC..EExtended strand (participates in β ladder)trans-97.9119.4171.7-180-88.9000109.3L29 S31 S37 M42 F49 M154 Y160L29-F39 HydrophobicContact CD2-CE1 4.05Å; L29-F39 HydrophobicContact CD2-CZ 4.22Å; L29-F39 HydrophobicContact CG-CE1 4.41Å; S31-F39 WeakPolarHBondContact CB-O 3.38Å; S31-F39 PolarHBondContact OG-O 3.25Å; S37-F39 PolarHBondContact O-N 2.89Å; S37-F39 PolarHBondContact OG-N 2.89Å; F39-M42 HydrophobicContact CE1-CB 4.04Å; F39-M42 HydrophobicContact CE2-CB 3.84Å; F39-M42 HydrophobicContact CE2-SD 4.09Å; F39-M42 HydrophobicContact CZ-CB 3.21Å; F39-M42 HydrophobicContact CZ-CG 4.14Å; F39-M42 HydrophobicContact CZ-SD 3.86Å; F39-F49 HydrophobicContact CD2-CD1 4.16Å; F39-F49 AromaticContact CD2-CE1 3.68Å; F39-F49 HydrophobicContact CD2-CE1 3.68Å; F39-F49 HydrophobicContact CD2-CZ 4.43Å; F39-F49 HydrophobicContact CE2-CE1 4.41Å; F39-M154 HydrophobicContact CB-CE 3.9Å; F39-M154 HydrophobicContact CD1-CE 3.72Å; F39-M154 HydrophobicContact CD2-CE 3.65Å; F39-M154 HydrophobicContact CE1-CE 3.93Å; F39-M154 HydrophobicContact CE2-CE 3.88Å; F39-M154 HydrophobicContact CG-CE 3.5Å; F39-M154 VanDerWaalsContact CG-CE 3.5Å; F39-M154 HydrophobicContact CZ-CE 3.94Å; F39-Y160 HydrophobicContact CB-CE1 3.94Å; F39-Y160 AromaticContact CD1-CD1 3.75Å; F39-Y160 HydrophobicContact CD1-CD1 3.75Å; F39-Y160 AromaticContact CD1-CE1 3.37Å; F39-Y160 HydrophobicContact CD1-CE1 3.37Å; F39-Y160 HydrophobicContact CE1-CD1 4.1Å; F39-Y160 HydrophobicContact CE1-CE1 4.13Å; F39-Y160 HydrophobicContact CG-CE1 4.02Å
40L90.1Very high88.6Confident70 Ų7054.2 Ų54.237%0.36626%0.262SS..EExtended strand (participates in β ladder)trans-91.3-65.3-174.7-169.268.1000110.8S31 C48S31-L40 PolarHBondContact N-O 3.46Å; S31-L40 PolarHBondContact OG-O 3.24Å; S31-L40 VanDerWaalsContact OG-O 3.09Å; L40-C48 HydrophobicContact CB-CB 4.48Å; L40-C48 WeakPolarHBondContact CB-O 3.41Å; L40-C48 PolarHBondContact N-O 3.41Å
41H91.1Very high88.3Confident15 Ų1559.4 Ų59.47%0.06928%0.284CS..EExtended strand (participates in β ladder)trans-155.9157.5176.952.376000111.1P26 Y27 L29 Q30 C48P26-H41 PolarHBondContact O-ND1 3.25Å; Y27-H41 HydrophobicContact CD1-CB 4.09Å; Y27-H41 AromaticContact CD1-CG 3.99Å; Y27-H41 HydrophobicContact CE1-CB 4.36Å; Y27-H41 AromaticContact CE1-CD2 3.57Å; Y27-H41 AromaticContact CE1-CG 3.82Å; Y27-H41 AromaticContact CE1-NE2 3.84Å; L29-H41 CarbonylContact O-C 3.52Å; L29-H41 WeakPolarHBondContact O-CA 3.44Å; L29-H41 WeakPolarHBondContact O-CB 3.47Å; Q30-H41 HydrophobicContact CB-CB 4.35Å; Q30-H41 HydrophobicContact CG-CB 4.36Å; H41-C48 PolarHBondContact CE1-SG 3.42Å; H41-C48 PolarHBondContact O-N 3.38Å
42M91.5Very high88Confident2 Ų260.8 Ų60.81%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-140134.4-178.9169.3171.9-166.400110.1P26 W28 L29 F39 V47 L88 W153P26-M42 CarbonylContact O-C 3Å; P26-M42 PolarHBondContact O-N 3.41Å; W28-M42 WeakPolarHBondContact CA-O 3.45Å; W28-M42 WeakPolarHBondContact CB-O 3.5Å; W28-M42 PolarHBondContact N-O 3.3Å; L29-M42 PolarHBondContact N-O 3.22Å; L29-M42 PolarHBondContact O-N 3.03Å; F39-M42 HydrophobicContact CE1-CB 4.04Å; F39-M42 HydrophobicContact CE2-CB 3.84Å; F39-M42 HydrophobicContact CE2-SD 4.09Å; F39-M42 HydrophobicContact CZ-CB 3.21Å; F39-M42 HydrophobicContact CZ-CG 4.14Å; F39-M42 HydrophobicContact CZ-SD 3.86Å; M42-V47 HydrophobicContact CB-CG1 4.05Å; M42-V47 HydrophobicContact CE-CG1 3.86Å; M42-V47 HydrophobicContact CG-CG1 3.59Å; M42-V47 HydrophobicContact SD-CG1 3.85Å; M42-L88 HydrophobicContact CE-CD2 3.26Å; M42-W153 HydrophobicContact CE-CH2 4.18Å; M42-W153 HydrophobicContact CE-CZ2 3.97Å; M42-W153 HydrophobicContact SD-CH2 3.57Å; M42-W153 VanDerWaalsContact SD-CH2 3.57Å; M42-W153 HydrophobicContact SD-CZ2 3.71Å
43G92.9Very high87.8Confident2 Ų258.7 Ų58.72%0.02129%0.288CS..  trans-105.2-166.716200000111.1P26 W45 S46P26-G43 PolarHBondContact O-N 3.25Å; P26-G43 VanDerWaalsContact O-N 3.15Å; G43-W45 VanDerWaalsContact C-N 3.34Å; G43-S46 PolarHBondContact N-O 3.22Å
44I92.5Very high87.5Confident1 Ų152.8 Ų52.81%0.00526%0.256CS..SBendtrans-68.2-38.8177.6-63.1159000111.1W28 Q92 I95W28-I44 HydrophobicContact CD2-CD1 4.13Å; W28-I44 HydrophobicContact CD2-CG1 3.89Å; W28-I44 HydrophobicContact CE3-CG1 4.37Å; W28-I44 HydrophobicContact CG-CG1 4.34Å; W28-I44 HydrophobicContact CH2-CD1 3.75Å; W28-I44 HydrophobicContact CH2-CG1 4.25Å; W28-I44 HydrophobicContact CZ2-CD1 3.13Å; W28-I44 HydrophobicContact CZ2-CG1 3.82Å; W28-I44 HydrophobicContact CZ3-CD1 4.49Å; I44-Q92 HydrophobicContact CG2-CB 4.45Å; I44-Q92 HydrophobicContact CG2-CG 3.52Å; I44-Q92 PolarHBondContact O-NE2 2.95Å; I44-I95 HydrophobicContact CD1-CD1 3.3Å; I44-I95 HydrophobicContact CD1-CG2 4.22Å; I44-I95 HydrophobicContact CG2-CG2 4.28Å
45W93.5Very high87.2Confident58 Ų5847.4 Ų47.422%0.2225%0.253CS..SBendtrans-112.5-16.5-170.6-56.7110.3000114.3F23 G43 V69 Y70 Q92 T96F23-W45 AromaticContact CD2-NE1 3.87Å; F23-W45 AromaticContact CE1-NE1 3.66Å; F23-W45 AromaticContact CE2-CE2 3.88Å; F23-W45 AromaticContact CE2-CZ2 3.82Å; F23-W45 HydrophobicContact CE2-CZ2 3.82Å; F23-W45 AromaticContact CE2-NE1 3.32Å; F23-W45 VanDerWaalsContact CE2-NE1 3.32Å; F23-W45 AromaticContact CZ-CE2 3.72Å; F23-W45 AromaticContact CZ-CZ2 3.79Å; F23-W45 HydrophobicContact CZ-CZ2 3.79Å; F23-W45 AromaticContact CZ-NE1 3.2Å; G43-W45 VanDerWaalsContact C-N 3.34Å; W45-V69 VanDerWaalsContact C-CG2 3.45Å; W45-V69 WeakPolarHBondContact O-CG2 3.38Å; W45-V69 PolarHBondContact O-N 3.02Å; W45-Y70 HydrophobicContact CE3-CE2 4.29Å; W45-Y70 AromaticContact CZ3-CE2 3.98Å; W45-Y70 HydrophobicContact CZ3-CE2 3.98Å; W45-Q92 HydrophobicContact CH2-CB 4.33Å; W45-T96 HydrophobicContact CH2-CG2 3.6Å; W45-T96 HydrophobicContact CZ2-CG2 3.38Å
46S92.9Very high86.9Confident44 Ų4451.5 Ų51.531%0.30827%0.268SS..EExtended strand (participates in β ladder)trans-136139.8-174.2-58.60000110.4G43 F67G43-S46 PolarHBondContact N-O 3.22Å; S46-F67 WeakPolarHBondContact CA-O 3.44Å
47V92Very high86.8Confident0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-126.9139.5179.7-71.60000108.6M42 F49 C66 F67 V69 F74 L83M42-V47 HydrophobicContact CB-CG1 4.05Å; M42-V47 HydrophobicContact CE-CG1 3.86Å; M42-V47 HydrophobicContact CG-CG1 3.59Å; M42-V47 HydrophobicContact SD-CG1 3.85Å; V47-F49 HydrophobicContact CB-CE2 4.05Å; V47-F49 HydrophobicContact CB-CZ 4.34Å; V47-F49 HydrophobicContact CG2-CE2 3.69Å; V47-F49 HydrophobicContact CG2-CZ 4.3Å; V47-C66 CarbonylContact O-C 3.58Å; V47-C66 WeakPolarHBondContact O-CA 3.15Å; V47-F67 HydrophobicContact CG2-CB 4.41Å; V47-F67 PolarHBondContact N-O 2.92Å; V47-F67 PolarHBondContact O-N 3.45Å; V47-V69 HydrophobicContact CG1-CG2 3.79Å; V47-V69 HydrophobicContact CG2-CG2 4.41Å; V47-F74 HydrophobicContact CG2-CE2 4.14Å; V47-F74 HydrophobicContact CG2-CZ 4.01Å; V47-L83 HydrophobicContact CG1-CD1 4.07Å; V47-L83 HydrophobicContact CG2-CD2 4.01Å
48C92.5Very high86.5Confident3 Ų352 Ų522%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-124.6129.8-179.8-55.40000110.8L40 H41 G65 C66L40-C48 HydrophobicContact CB-CB 4.48Å; L40-C48 WeakPolarHBondContact CB-O 3.41Å; L40-C48 PolarHBondContact N-O 3.41Å; H41-C48 PolarHBondContact CE1-SG 3.42Å; H41-C48 PolarHBondContact O-N 3.38Å; C48-G65 WeakPolarHBondContact CA-O 3.28Å; C48-C66 HydrophobicContact CB-CB 4.12Å; C48-C66 WeakPolarHBondContact CB-SG 3.3Å; C48-C66 VanDerWaalsContact SG-CA 3.54Å; C48-C66 WeakPolarHBondContact SG-CB 2.99Å; C48-C66 CovalentContact SG-SG 2.03Å; C48-C66 PolarHBondContact SG-SG 3.37Å
49F90.8Very high86.1Confident7 Ų756.3 Ų56.33%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-120.6148.4-177.6-61.6-76.9000110.7S38 F39 V47 F52 L63 G65 F67 F74 L83S38-F49 CarbonylContact O-C 3.59Å; S38-F49 WeakPolarHBondContact O-CA 3.42Å; F39-F49 HydrophobicContact CD2-CD1 4.16Å; F39-F49 AromaticContact CD2-CE1 3.68Å; F39-F49 HydrophobicContact CD2-CE1 3.68Å; F39-F49 HydrophobicContact CD2-CZ 4.43Å; F39-F49 HydrophobicContact CE2-CE1 4.41Å; V47-F49 HydrophobicContact CB-CE2 4.05Å; V47-F49 HydrophobicContact CB-CZ 4.34Å; V47-F49 HydrophobicContact CG2-CE2 3.69Å; V47-F49 HydrophobicContact CG2-CZ 4.3Å; F49-F52 HydrophobicContact CB-CB 3.95Å; F49-F52 HydrophobicContact CD1-CB 3.85Å; F49-F52 AromaticContact CD1-CD1 3.84Å; F49-F52 HydrophobicContact CD1-CD1 3.84Å; F49-F52 AromaticContact CD1-CG 3.95Å; F49-F52 HydrophobicContact CD1-CG 3.95Å; F49-F52 AromaticContact CE1-CD1 3.89Å; F49-F52 HydrophobicContact CE1-CD1 3.89Å; F49-F52 HydrophobicContact CE1-CE1 4.26Å; F49-F52 HydrophobicContact CE1-CG 4.37Å; F49-F52 HydrophobicContact CG-CB 4.15Å; F49-F52 HydrophobicContact CG-CD1 4.47Å; F49-L63 HydrophobicContact CB-CB 4.16Å; F49-L63 HydrophobicContact CD2-CB 4.39Å; F49-L63 HydrophobicContact CD2-CD2 4.25Å; F49-L63 HydrophobicContact CE2-CD2 4.43Å; F49-L63 HydrophobicContact CG-CB 4.44Å; F49-G65 PolarHBondContact N-O 2.95Å; F49-G65 PolarHBondContact O-N 3.17Å; F49-F67 HydrophobicContact CD2-CD2 4.33Å; F49-F74 HydrophobicContact CE2-CE1 4.25Å; F49-F74 HydrophobicContact CE2-CZ 4.05Å; F49-L83 HydrophobicContact CZ-CD1 3.87Å
50D89.5Confident85.8Confident87 Ų8758.7 Ų58.747%0.46530%0.297SS..EExtended strand (participates in β ladder)trans-121.9108.7168-17424.3000109.7S38 F52S38-D50 VanDerWaalsContact CA-O 3.23Å; S38-D50 WeakPolarHBondContact CA-O 3.43Å; S38-D50 WeakPolarHBondContact CB-O 3.19Å; S38-D50 PolarHBondContact O-N 3.46Å; D50-F52 PolarHBondContact O-N 3.16Å
51K86.9Confident85.4Confident146 Ų14658.2 Ų58.264%0.63530%0.295SS*.EExtended strand (participates in β ladder)trans49.642.5179.1-59.6174.1-172.7178.40113.5V62 L63 T64K51-V62 HydrophobicContact CB-CG1 3.98Å; K51-V62 HydrophobicContact CG-CG1 4.23Å; K51-L63 PolarHBondContact N-O 3.4Å; K51-L63 VanDerWaalsContact N-O 3.12Å; K51-T64 HydrophobicContact CG-CG2 3.83Å
52F84.9Confident85.1Confident34 Ų3461.6 Ų61.615%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-80.6132.6177.4-176.4-121.1000110.6F49 D50 H54 L63 W82F49-F52 HydrophobicContact CB-CB 3.95Å; F49-F52 HydrophobicContact CD1-CB 3.85Å; F49-F52 AromaticContact CD1-CD1 3.84Å; F49-F52 HydrophobicContact CD1-CD1 3.84Å; F49-F52 AromaticContact CD1-CG 3.95Å; F49-F52 HydrophobicContact CD1-CG 3.95Å; F49-F52 AromaticContact CE1-CD1 3.89Å; F49-F52 HydrophobicContact CE1-CD1 3.89Å; F49-F52 HydrophobicContact CE1-CE1 4.26Å; F49-F52 HydrophobicContact CE1-CG 4.37Å; F49-F52 HydrophobicContact CG-CB 4.15Å; F49-F52 HydrophobicContact CG-CD1 4.47Å; D50-F52 PolarHBondContact O-N 3.16Å; F52-H54 HydrophobicContact CE1-CB 3.87Å; F52-H54 AromaticContact CE1-CD2 3.93Å; F52-H54 HydrophobicContact CZ-CB 4.22Å; F52-H54 AromaticContact CZ-CD2 3.81Å; F52-L63 HydrophobicContact CB-CB 4.4Å; F52-L63 HydrophobicContact CD1-CD1 4.35Å; F52-L63 PolarHBondContact N-O 3.03Å; F52-L63 VanDerWaalsContact N-O 3.1Å; F52-L63 VanDerWaalsContact O-CD1 3.29Å; F52-L63 WeakPolarHBondContact O-CD1 3.32Å; F52-L63 PolarHBondContact O-N 3.17Å; F52-W82 HydrophobicContact CE1-CH2 4.1Å; F52-W82 AromaticContact CE1-CZ3 3.92Å; F52-W82 HydrophobicContact CE1-CZ3 3.92Å; F52-W82 AromaticContact CZ-CH2 3.72Å; F52-W82 HydrophobicContact CZ-CH2 3.72Å; F52-W82 HydrophobicContact CZ-CZ3 4.01Å
53V84.8Confident84.8Confident69 Ų6961.7 Ų61.742%0.41832%0.317SS..  trans-124.1117.5171.4-1780000107.3A60 V62V53-A60 HydrophobicContact CG1-CB 4.09Å; V53-V62 HydrophobicContact CG2-CB 4.43Å; V53-V62 HydrophobicContact CG2-CG2 3.86Å
54H79.6Confident84.6Confident12 Ų1265.3 Ų65.36%0.05634%0.339CS..  trans-83.8135.3-177.6-171-90.2000110.8F52 Q56 D57 I79 W82F52-H54 HydrophobicContact CE1-CB 3.87Å; F52-H54 AromaticContact CE1-CD2 3.93Å; F52-H54 HydrophobicContact CZ-CB 4.22Å; F52-H54 AromaticContact CZ-CD2 3.81Å; H54-Q56 VanDerWaalsContact CE1-CB 3.49Å; H54-Q56 WeakPolarHBondContact CE1-CB 3.39Å; H54-Q56 VanDerWaalsContact CE1-CG 3.48Å; H54-Q56 WeakPolarHBondContact CE1-CG 3.21Å; H54-Q56 PolarHBondContact CE1-OE1 3.33Å; H54-Q56 VanDerWaalsContact CE1-OE1 3.27Å; H54-Q56 WeakPolarHBondContact ND1-CB 3.34Å; H54-Q56 PolarHBondContact ND1-N 3.35Å; H54-Q56 PolarHBondContact O-N 2.89Å; H54-Q56 VanDerWaalsContact O-N 3.15Å; H54-D57 HydrophobicContact CB-CB 4.44Å; H54-D57 WeakPolarHBondContact O-CB 3.23Å; H54-D57 PolarHBondContact O-N 3.42Å; H54-I79 HydrophobicContact CB-CD1 3.43Å; H54-I79 VanDerWaalsContact CB-CD1 3.43Å; H54-I79 HydrophobicContact CB-CG1 4Å; H54-W82 AromaticContact CD2-CE3 3.91Å; H54-W82 AromaticContact NE2-CD2 3.73Å; H54-W82 AromaticContact NE2-CE3 3.93Å; H54-W82 AromaticContact NE2-CG 3.98Å
55P78.1Confident84.6Confident126 Ų12667 Ų6782%0.81836%0.357SS*.THydrogen-bonded Turntrans-61.4-26.2-177.1-22.832.1000114.9D57P55-D57 VanDerWaalsContact C-N 3.34Å
56Q73.2Confident84.5Confident137 Ų13767.9 Ų67.964%0.6437%0.371SS*.THydrogen-bonded Turntrans-84.9-3.8177.9-59.7174.3-25.500113.4H54 Y58H54-Q56 VanDerWaalsContact CE1-CB 3.49Å; H54-Q56 WeakPolarHBondContact CE1-CB 3.39Å; H54-Q56 VanDerWaalsContact CE1-CG 3.48Å; H54-Q56 WeakPolarHBondContact CE1-CG 3.21Å; H54-Q56 PolarHBondContact CE1-OE1 3.33Å; H54-Q56 VanDerWaalsContact CE1-OE1 3.27Å; H54-Q56 WeakPolarHBondContact ND1-CB 3.34Å; H54-Q56 PolarHBondContact ND1-N 3.35Å; H54-Q56 PolarHBondContact O-N 2.89Å; H54-Q56 VanDerWaalsContact O-N 3.15Å; Q56-Y58 PolarHBondContact O-N 3.07Å
57D76.1Confident84.5Confident14 Ų1468.2 Ų68.28%0.07537%0.367CS..  trans-83.6111.8179.1-164-4.1000110.5H54 P55 H59 A60 N61 I77 I79H54-D57 HydrophobicContact CB-CB 4.44Å; H54-D57 WeakPolarHBondContact O-CB 3.23Å; H54-D57 PolarHBondContact O-N 3.42Å; P55-D57 VanDerWaalsContact C-N 3.34Å; D57-H59 PolarHBondContact O-N 3.09Å; D57-H59 PolarHBondContact OD1-N 2.92Å; D57-A60 PolarHBondContact O-N 3.37Å; D57-N61 PolarHBondContact OD2-N 3.31Å; D57-N61 PolarHBondContact OD2-ND2 2.79Å; D57-I77 HydrophobicContact CB-CG2 3.73Å; D57-I77 VanDerWaalsContact OD1-CG2 3.24Å; D57-I77 WeakPolarHBondContact OD1-CG2 3.18Å; D57-I77 WeakPolarHBondContact OD2-CG2 3.49Å; D57-I79 HydrophobicContact CB-CD1 4.39Å
58Y73.8Confident84.5Confident212 Ų21274.7 Ų74.783%0.83139%0.392SS*.THydrogen-bonded Turntrans-62.9-28.6-179-174.8-99.8000112.7Q56Q56-Y58 PolarHBondContact O-N 3.07Å
59H76.3Confident84.5Confident136 Ų13674.6 Ų74.663%0.6339%0.391SS*.THydrogen-bonded Turntrans-93-0.3-177.4-66.7-68000113.6D57 N61D57-H59 PolarHBondContact O-N 3.09Å; D57-H59 PolarHBondContact OD1-N 2.92Å; H59-N61 PolarHBondContact O-N 2.88Å; H59-N61 VanDerWaalsContact O-N 3.11Å
60A79Confident84.5Confident58 Ų5877.5 Ų77.548%0.47940%0.402SS..  trans46.341.1-178.700000113V53 D57 V62V53-A60 HydrophobicContact CG1-CB 4.09Å; D57-A60 PolarHBondContact O-N 3.37Å; A60-V62 PolarHBondContact O-N 3.37Å
61N81.4Confident84.6Confident60 Ų6076.1 Ų76.132%0.32140%0.395SS..  trans-65135.4-179.9-64-56.1000109.1D57 H59 L63 F73D57-N61 PolarHBondContact OD2-N 3.31Å; D57-N61 PolarHBondContact OD2-ND2 2.79Å; H59-N61 PolarHBondContact O-N 2.88Å; H59-N61 VanDerWaalsContact O-N 3.11Å; N61-L63 WeakPolarHBondContact O-CD1 3.41Å; N61-L63 PolarHBondContact O-N 2.86Å; N61-F73 HydrophobicContact CB-CZ 4.31Å
62V85.5Confident84.7Confident86 Ų8679.5 Ų79.552%0.52140%0.403SS..  trans-88.1111.5177.7-176.50000108.2K51 V53 A60 T64K51-V62 HydrophobicContact CB-CG1 3.98Å; K51-V62 HydrophobicContact CG-CG1 4.23Å; V53-V62 HydrophobicContact CG2-CB 4.43Å; V53-V62 HydrophobicContact CG2-CG2 3.86Å; A60-V62 PolarHBondContact O-N 3.37Å; V62-T64 HydrophobicContact CG1-CG2 4.15Å; V62-T64 PolarHBondContact O-N 2.95Å
63L84.7Confident84.8Confident4 Ų481.1 Ų81.12%0.02141%0.411CS..EExtended strand (participates in β ladder)trans-83.1114.4177.3-64.591000109.6F49 K51 F52 N61 F67 F73 F74F49-L63 HydrophobicContact CB-CB 4.16Å; F49-L63 HydrophobicContact CD2-CB 4.39Å; F49-L63 HydrophobicContact CD2-CD2 4.25Å; F49-L63 HydrophobicContact CE2-CD2 4.43Å; F49-L63 HydrophobicContact CG-CB 4.44Å; K51-L63 PolarHBondContact N-O 3.4Å; K51-L63 VanDerWaalsContact N-O 3.12Å; F52-L63 HydrophobicContact CB-CB 4.4Å; F52-L63 HydrophobicContact CD1-CD1 4.35Å; F52-L63 PolarHBondContact N-O 3.03Å; F52-L63 VanDerWaalsContact N-O 3.1Å; F52-L63 VanDerWaalsContact O-CD1 3.29Å; F52-L63 WeakPolarHBondContact O-CD1 3.32Å; F52-L63 PolarHBondContact O-N 3.17Å; N61-L63 WeakPolarHBondContact O-CD1 3.41Å; N61-L63 PolarHBondContact O-N 2.86Å; L63-F67 HydrophobicContact CB-CE2 4.45Å; L63-F73 HydrophobicContact CD2-CE1 3.84Å; L63-F73 HydrophobicContact CG-CE1 4.04Å; L63-F74 HydrophobicContact CD2-CD1 4.48Å; L63-F74 HydrophobicContact CD2-CE1 3.6Å; L63-F74 HydrophobicContact CD2-CZ 4.36Å
64T89.7Confident85Confident77 Ų7777.9 Ų77.947%0.47239%0.391SS..EExtended strand (participates in β ladder)trans-127.6126.6174.651.60000110.4K51 V62K51-T64 HydrophobicContact CG-CG2 3.83Å; V62-T64 HydrophobicContact CG1-CG2 4.15Å; V62-T64 PolarHBondContact O-N 2.95Å
65G90.7Very high85.4Confident37 Ų3782.4 Ų82.438%0.38141%0.411SS..EExtended strand (participates in β ladder)trans110.2-168.8176.700000113.4C48 F49C48-G65 WeakPolarHBondContact CA-O 3.28Å; F49-G65 PolarHBondContact N-O 2.95Å; F49-G65 PolarHBondContact O-N 3.17Å
66C92.7Very high85.7Confident77 Ų7785.3 Ų85.352%0.5241%0.41SS..EExtended strand (participates in β ladder)trans-102.1128-178.2-680000110.6V47 C48V47-C66 CarbonylContact O-C 3.58Å; V47-C66 WeakPolarHBondContact O-CA 3.15Å; C48-C66 HydrophobicContact CB-CB 4.12Å; C48-C66 WeakPolarHBondContact CB-SG 3.3Å; C48-C66 VanDerWaalsContact SG-CA 3.54Å; C48-C66 WeakPolarHBondContact SG-CB 2.99Å; C48-C66 CovalentContact SG-SG 2.03Å; C48-C66 PolarHBondContact SG-SG 3.37Å
67F92.1Very high86.3Confident51 Ų5180.1 Ų80.122%0.22439%0.387CS..EExtended strand (participates in β ladder)trans-120.7150.8-179.9-61.8-86.4000110S46 V47 F49 L63 F74S46-F67 WeakPolarHBondContact CA-O 3.44Å; V47-F67 HydrophobicContact CG2-CB 4.41Å; V47-F67 PolarHBondContact N-O 2.92Å; V47-F67 PolarHBondContact O-N 3.45Å; F49-F67 HydrophobicContact CD2-CD2 4.33Å; L63-F67 HydrophobicContact CB-CE2 4.45Å; F67-F74 HydrophobicContact CB-CE2 3.67Å; F67-F74 HydrophobicContact CB-CZ 3.66Å; F67-F74 HydrophobicContact CD2-CZ 4.43Å; F67-F74 HydrophobicContact CG-CE2 4.48Å; F67-F74 HydrophobicContact CG-CZ 4.1Å
68W92.7Very high86.7Confident136 Ų13681.7 Ų81.752%0.51541%0.406SS..EExtended strand (participates in β ladder)trans-75.7138.5169.4-170.761.5000109.4Y70 D71 F74W68-Y70 VanDerWaalsContact CE3-C 3.48Å; W68-Y70 VanDerWaalsContact CH2-CB 3.48Å; W68-Y70 HydrophobicContact CH2-CD2 4.18Å; W68-Y70 HydrophobicContact CH2-CG 4.17Å; W68-Y70 HydrophobicContact CZ2-CD2 4.01Å; W68-Y70 HydrophobicContact CZ2-CG 4.45Å; W68-Y70 HydrophobicContact CZ3-CG 4.36Å; W68-Y70 PolarHBondContact O-N 3.39Å; W68-Y70 VanDerWaalsContact O-N 3.07Å; W68-D71 VanDerWaalsContact O-CB 3.29Å; W68-D71 WeakPolarHBondContact O-CB 3.48Å; W68-D71 PolarHBondContact O-N 2.85Å; W68-F74 WeakPolarHBondContact O-CE2 3.45Å
69V91.8Very high87.4Confident0 Ų071.8 Ų71.80%037%0.368CS..THydrogen-bonded Turntrans-58.4-29.3-172168.20000112.8W45 V47 N84W45-V69 VanDerWaalsContact C-CG2 3.45Å; W45-V69 WeakPolarHBondContact O-CG2 3.38Å; W45-V69 PolarHBondContact O-N 3.02Å; V47-V69 HydrophobicContact CG1-CG2 3.79Å; V47-V69 HydrophobicContact CG2-CG2 4.41Å; V69-N84 HydrophobicContact CG1-CB 4.27Å
70Y91.5Very high88Confident68 Ų6867.7 Ų67.727%0.26735%0.347SS..THydrogen-bonded Turntrans-10324.5-180-67.7-84.6000112.9W45 W68 R72 F75 W80 Q92W45-Y70 HydrophobicContact CE3-CE2 4.29Å; W45-Y70 AromaticContact CZ3-CE2 3.98Å; W45-Y70 HydrophobicContact CZ3-CE2 3.98Å; W68-Y70 VanDerWaalsContact CE3-C 3.48Å; W68-Y70 VanDerWaalsContact CH2-CB 3.48Å; W68-Y70 HydrophobicContact CH2-CD2 4.18Å; W68-Y70 HydrophobicContact CH2-CG 4.17Å; W68-Y70 HydrophobicContact CZ2-CD2 4.01Å; W68-Y70 HydrophobicContact CZ2-CG 4.45Å; W68-Y70 HydrophobicContact CZ3-CG 4.36Å; W68-Y70 PolarHBondContact O-N 3.39Å; W68-Y70 VanDerWaalsContact O-N 3.07Å; Y70-R72 PolarHBondContact O-N 3.24Å; Y70-F75 HydrophobicContact CD1-CE2 4.5Å; Y70-F75 HydrophobicContact CD1-CZ 4.21Å; Y70-W80 HydrophobicContact CD1-CZ2 4.38Å; Y70-W80 AromaticContact CD1-NE1 3.64Å; Y70-W80 AromaticContact CE1-CZ2 3.81Å; Y70-W80 HydrophobicContact CE1-CZ2 3.81Å; Y70-W80 AromaticContact CE1-NE1 3.83Å; Y70-Q92 PolarHBondContact OH-OE1 3.09Å
71D90.7Very high88.4Confident59 Ų5970.9 Ų70.932%0.31635%0.352SS..  trans-59.5137.2172.9-160.5-61.6000110.9W68 F73 F74 F75W68-D71 VanDerWaalsContact O-CB 3.29Å; W68-D71 WeakPolarHBondContact O-CB 3.48Å; W68-D71 PolarHBondContact O-N 2.85Å; D71-F73 PolarHBondContact O-N 2.75Å; D71-F73 VanDerWaalsContact O-N 3.1Å; D71-F73 VanDerWaalsContact OD1-CB 3.28Å; D71-F73 WeakPolarHBondContact OD1-CB 3.36Å; D71-F73 PolarHBondContact OD1-N 3.38Å; D71-F74 HydrophobicContact CB-CD2 3.95Å; D71-F74 HydrophobicContact CB-CE2 4.2Å; D71-F74 PolarHBondContact O-N 3.38Å; D71-F75 WeakPolarHBondContact O-CD2 3.33Å
72R90.4Very high88.7Confident217 Ų21771.1 Ų71.182%0.81935%0.348SS*.Hα-helixtrans-57.2-27.4178.8-167.5177.7-174-179.62.4111.8Y70 F74 F75 K76Y70-R72 PolarHBondContact O-N 3.24Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 2.96Å; R72-F75 PolarHBondContact O-N 2.9Å; R72-K76 PolarHBondContact O-N 2.87Å; R72-K76 VanDerWaalsContact O-N 3.08Å
73F86.7Confident88.8Confident68 Ų6867.1 Ų67.130%0.29832%0.324SS..Hα-helixtrans-56.4-43.4175.3-177.9-107.6000112.7N61 L63 D71 F75 K76 I77N61-F73 HydrophobicContact CB-CZ 4.31Å; L63-F73 HydrophobicContact CD2-CE1 3.84Å; L63-F73 HydrophobicContact CG-CE1 4.04Å; D71-F73 PolarHBondContact O-N 2.75Å; D71-F73 VanDerWaalsContact O-N 3.1Å; D71-F73 VanDerWaalsContact OD1-CB 3.28Å; D71-F73 WeakPolarHBondContact OD1-CB 3.36Å; D71-F73 PolarHBondContact OD1-N 3.38Å; F73-F75 VanDerWaalsContact C-N 3.33Å; F73-F75 PolarHBondContact O-N 3.43Å; F73-K76 PolarHBondContact O-N 3.33Å; F73-I77 HydrophobicContact CD1-CD1 3.8Å; F73-I77 HydrophobicContact CD2-CD1 3.97Å; F73-I77 HydrophobicContact CE1-CD1 3.29Å; F73-I77 HydrophobicContact CE2-CD1 3.48Å; F73-I77 VanDerWaalsContact CE2-CD1 3.48Å; F73-I77 HydrophobicContact CE2-CG1 4.47Å; F73-I77 HydrophobicContact CG-CD1 4.12Å; F73-I77 HydrophobicContact CZ-CD1 3.13Å; F73-I77 HydrophobicContact CZ-CG1 4.47Å; F73-I77 PolarHBondContact O-N 2.91Å; F73-I77 VanDerWaalsContact O-N 3.16Å
74F87.5Confident89.1Confident1 Ų166.9 Ų66.90%0.00432%0.323CS..Hα-helixtrans-67.8-33.1-179.8-66.7-54.4000113.1V47 F49 L63 F67 W68 D71 R72 G78 I79 W80 L83V47-F74 HydrophobicContact CG2-CE2 4.14Å; V47-F74 HydrophobicContact CG2-CZ 4.01Å; F49-F74 HydrophobicContact CE2-CE1 4.25Å; F49-F74 HydrophobicContact CE2-CZ 4.05Å; L63-F74 HydrophobicContact CD2-CD1 4.48Å; L63-F74 HydrophobicContact CD2-CE1 3.6Å; L63-F74 HydrophobicContact CD2-CZ 4.36Å; F67-F74 HydrophobicContact CB-CE2 3.67Å; F67-F74 HydrophobicContact CB-CZ 3.66Å; F67-F74 HydrophobicContact CD2-CZ 4.43Å; F67-F74 HydrophobicContact CG-CE2 4.48Å; F67-F74 HydrophobicContact CG-CZ 4.1Å; W68-F74 WeakPolarHBondContact O-CE2 3.45Å; D71-F74 HydrophobicContact CB-CD2 3.95Å; D71-F74 HydrophobicContact CB-CE2 4.2Å; D71-F74 PolarHBondContact O-N 3.38Å; R72-F74 VanDerWaalsContact C-N 3.33Å; R72-F74 PolarHBondContact O-N 2.96Å; F74-G78 PolarHBondContact O-N 3.19Å; F74-I79 PolarHBondContact O-N 3.4Å; F74-W80 HydrophobicContact CB-CB 4.22Å; F74-W80 PolarHBondContact O-N 3.03Å; F74-L83 HydrophobicContact CD1-CD2 4.31Å; F74-L83 HydrophobicContact CD2-CD2 4.04Å; F74-L83 HydrophobicContact CE1-CD2 4.23Å; F74-L83 HydrophobicContact CE2-CD2 3.95Å; F74-L83 HydrophobicContact CG-CD2 4.23Å; F74-L83 HydrophobicContact CZ-CD2 4.05Å
75F88.2Confident89.2Confident107 Ų10764 Ų6447%0.46931%0.305SS..Hα-helixtrans-70.1-37.7174.2-68.7-79.1000112.1Y70 D71 R72 F73 G78 W80Y70-F75 HydrophobicContact CD1-CE2 4.5Å; Y70-F75 HydrophobicContact CD1-CZ 4.21Å; D71-F75 WeakPolarHBondContact O-CD2 3.33Å; R72-F75 PolarHBondContact O-N 2.9Å; F73-F75 VanDerWaalsContact C-N 3.33Å; F73-F75 PolarHBondContact O-N 3.43Å; F75-G78 PolarHBondContact O-N 3.23Å; F75-W80 HydrophobicContact CD1-CB 4.2Å; F75-W80 HydrophobicContact CD1-CD2 4.32Å; F75-W80 HydrophobicContact CD1-CG 4.06Å; F75-W80 HydrophobicContact CE1-CB 4.24Å; F75-W80 AromaticContact CE1-CD1 3.85Å; F75-W80 AromaticContact CE1-CD2 3.54Å; F75-W80 HydrophobicContact CE1-CD2 3.54Å; F75-W80 AromaticContact CE1-CE2 3.79Å; F75-W80 HydrophobicContact CE1-CE3 4.04Å; F75-W80 AromaticContact CE1-CG 3.61Å; F75-W80 HydrophobicContact CE1-CG 3.61Å; F75-W80 HydrophobicContact CE1-CZ2 4.48Å; F75-W80 AromaticContact CE1-NE1 3.94Å; F75-W80 AromaticContact CE2-CD1 3.91Å; F75-W80 HydrophobicContact CE2-CG 4.4Å; F75-W80 AromaticContact CZ-CD1 3.54Å; F75-W80 AromaticContact CZ-CD2 3.88Å; F75-W80 HydrophobicContact CZ-CD2 3.88Å; F75-W80 AromaticContact CZ-CE2 3.68Å; F75-W80 AromaticContact CZ-CG 3.81Å; F75-W80 HydrophobicContact CZ-CG 3.81Å; F75-W80 HydrophobicContact CZ-CZ2 4.38Å; F75-W80 AromaticContact CZ-NE1 3.44Å
76K86Confident89.3Confident187 Ų18771.3 Ų71.381%0.81332%0.322SS*.Hα-helixtrans-65.8-38.7178.4-174.1-179.8177.4-175.20112.2R72 F73R72-K76 PolarHBondContact O-N 2.87Å; R72-K76 VanDerWaalsContact O-N 3.08Å; F73-K76 PolarHBondContact O-N 3.33Å
77I84.5Confident89.3Confident28 Ų2868.9 Ų68.914%0.14430%0.302CS..Hα-helixtrans-82.3-23.8-179.9-64.4167000111.9D57 F73 I79D57-I77 HydrophobicContact CB-CG2 3.73Å; D57-I77 VanDerWaalsContact OD1-CG2 3.24Å; D57-I77 WeakPolarHBondContact OD1-CG2 3.18Å; D57-I77 WeakPolarHBondContact OD2-CG2 3.49Å; F73-I77 HydrophobicContact CD1-CD1 3.8Å; F73-I77 HydrophobicContact CD2-CD1 3.97Å; F73-I77 HydrophobicContact CE1-CD1 3.29Å; F73-I77 HydrophobicContact CE2-CD1 3.48Å; F73-I77 VanDerWaalsContact CE2-CD1 3.48Å; F73-I77 HydrophobicContact CE2-CG1 4.47Å; F73-I77 HydrophobicContact CG-CD1 4.12Å; F73-I77 HydrophobicContact CZ-CD1 3.13Å; F73-I77 HydrophobicContact CZ-CG1 4.47Å; F73-I77 PolarHBondContact O-N 2.91Å; F73-I77 VanDerWaalsContact O-N 3.16Å; I77-I79 HydrophobicContact CB-CD1 4.19Å; I77-I79 HydrophobicContact CG2-CD1 3.3Å; I77-I79 HydrophobicContact CG2-CG1 3.71Å
78G85.3Confident89.3Confident47 Ų4766.5 Ų66.549%0.48529%0.292SS..THydrogen-bonded Turntrans85.811.1-179.600000114.7F74 F75 W80F74-G78 PolarHBondContact O-N 3.19Å; F75-G78 PolarHBondContact O-N 3.23Å; G78-W80 VanDerWaalsContact C-N 3.33Å
79I87.7Confident89.4Confident4 Ų462.3 Ų62.32%0.02128%0.279CS..  trans-80.7-14.6178.2-66.4159.2000112.1H54 D57 F74 I77 Q81 W82 L83H54-I79 HydrophobicContact CB-CD1 3.43Å; H54-I79 VanDerWaalsContact CB-CD1 3.43Å; H54-I79 HydrophobicContact CB-CG1 4Å; D57-I79 HydrophobicContact CB-CD1 4.39Å; F74-I79 PolarHBondContact O-N 3.4Å; I77-I79 HydrophobicContact CB-CD1 4.19Å; I77-I79 HydrophobicContact CG2-CD1 3.3Å; I77-I79 HydrophobicContact CG2-CG1 3.71Å; I79-Q81 VanDerWaalsContact C-N 3.27Å; I79-Q81 PolarHBondContact O-N 3.46Å; I79-Q81 VanDerWaalsContact O-N 3.14Å; I79-W82 HydrophobicContact CG2-CE3 3.61Å; I79-W82 HydrophobicContact CG2-CZ3 4.24Å; I79-W82 WeakPolarHBondContact O-CB 3.39Å; I79-W82 PolarHBondContact O-N 3.42Å; I79-L83 PolarHBondContact O-N 3.4Å
80W88.8Confident89.6Confident50 Ų5063.9 Ų63.919%0.18930%0.295CS..Hα-helixtrans-53.1-40.8-173.9-178.383.6000113.7Y70 F74 F75 G78 W82 L83 N84 I89Y70-W80 HydrophobicContact CD1-CZ2 4.38Å; Y70-W80 AromaticContact CD1-NE1 3.64Å; Y70-W80 AromaticContact CE1-CZ2 3.81Å; Y70-W80 HydrophobicContact CE1-CZ2 3.81Å; Y70-W80 AromaticContact CE1-NE1 3.83Å; F74-W80 HydrophobicContact CB-CB 4.22Å; F74-W80 PolarHBondContact O-N 3.03Å; F75-W80 HydrophobicContact CD1-CB 4.2Å; F75-W80 HydrophobicContact CD1-CD2 4.32Å; F75-W80 HydrophobicContact CD1-CG 4.06Å; F75-W80 HydrophobicContact CE1-CB 4.24Å; F75-W80 AromaticContact CE1-CD1 3.85Å; F75-W80 AromaticContact CE1-CD2 3.54Å; F75-W80 HydrophobicContact CE1-CD2 3.54Å; F75-W80 AromaticContact CE1-CE2 3.79Å; F75-W80 HydrophobicContact CE1-CE3 4.04Å; F75-W80 AromaticContact CE1-CG 3.61Å; F75-W80 HydrophobicContact CE1-CG 3.61Å; F75-W80 HydrophobicContact CE1-CZ2 4.48Å; F75-W80 AromaticContact CE1-NE1 3.94Å; F75-W80 AromaticContact CE2-CD1 3.91Å; F75-W80 HydrophobicContact CE2-CG 4.4Å; F75-W80 AromaticContact CZ-CD1 3.54Å; F75-W80 AromaticContact CZ-CD2 3.88Å; F75-W80 HydrophobicContact CZ-CD2 3.88Å; F75-W80 AromaticContact CZ-CE2 3.68Å; F75-W80 AromaticContact CZ-CG 3.81Å; F75-W80 HydrophobicContact CZ-CG 3.81Å; F75-W80 HydrophobicContact CZ-CZ2 4.38Å; F75-W80 AromaticContact CZ-NE1 3.44Å; G78-W80 VanDerWaalsContact C-N 3.33Å; W80-W82 VanDerWaalsContact C-N 3.29Å; W80-W82 PolarHBondContact O-N 2.88Å; W80-L83 PolarHBondContact O-N 3Å; W80-N84 PolarHBondContact O-N 3.25Å; W80-I89 HydrophobicContact CH2-CD1 3.7Å; W80-I89 HydrophobicContact CZ2-CD1 4.09Å
81Q88.6Confident89.7Confident125 Ų12560.7 Ų60.758%0.58428%0.282SS*.Hα-helixtrans-65.8-31.1179.6-171.964.528.200113I79I79-Q81 VanDerWaalsContact C-N 3.27Å; I79-Q81 PolarHBondContact O-N 3.46Å; I79-Q81 VanDerWaalsContact O-N 3.14Å
82W87.1Confident90Very high64 Ų6458 Ų5824%0.24227%0.268CS..Hα-helixtrans-77.9-42.9174.517376.7000111F52 H54 I79 W80 W153F52-W82 HydrophobicContact CE1-CH2 4.1Å; F52-W82 AromaticContact CE1-CZ3 3.92Å; F52-W82 HydrophobicContact CE1-CZ3 3.92Å; F52-W82 AromaticContact CZ-CH2 3.72Å; F52-W82 HydrophobicContact CZ-CH2 3.72Å; F52-W82 HydrophobicContact CZ-CZ3 4.01Å; H54-W82 AromaticContact CD2-CE3 3.91Å; H54-W82 AromaticContact NE2-CD2 3.73Å; H54-W82 AromaticContact NE2-CE3 3.93Å; H54-W82 AromaticContact NE2-CG 3.98Å; I79-W82 HydrophobicContact CG2-CE3 3.61Å; I79-W82 HydrophobicContact CG2-CZ3 4.24Å; I79-W82 WeakPolarHBondContact O-CB 3.39Å; I79-W82 PolarHBondContact O-N 3.42Å; W80-W82 VanDerWaalsContact C-N 3.29Å; W80-W82 PolarHBondContact O-N 2.88Å; W82-W153 PolarHBondContact NE1-O 2.79Å; W82-W153 PolarHBondContact O-NE1 2.82Å
83L88.3Confident90.2Very high2 Ų251.4 Ų51.41%0.0125%0.252CS..Hα-helixtrans-65.2-42.2-178.4-174.564.5000112.2V47 F49 F74 I79 W80 P85 W153V47-L83 HydrophobicContact CG1-CD1 4.07Å; V47-L83 HydrophobicContact CG2-CD2 4.01Å; F49-L83 HydrophobicContact CZ-CD1 3.87Å; F74-L83 HydrophobicContact CD1-CD2 4.31Å; F74-L83 HydrophobicContact CD2-CD2 4.04Å; F74-L83 HydrophobicContact CE1-CD2 4.23Å; F74-L83 HydrophobicContact CE2-CD2 3.95Å; F74-L83 HydrophobicContact CG-CD2 4.23Å; F74-L83 HydrophobicContact CZ-CD2 4.05Å; I79-L83 PolarHBondContact O-N 3.4Å; W80-L83 PolarHBondContact O-N 3Å; L83-P85 VanDerWaalsContact O-CD 3.3Å; L83-P85 WeakPolarHBondContact O-CD 3.49Å; L83-W153 PolarHBondContact O-NE1 3.49Å
84N91Very high90.7Very high0 Ų050.4 Ų50.40%025%0.249CC..SBendtrans-12079.3-175.7-157.2-5.9000111.2V69 W80 L88 I89 Q92V69-N84 HydrophobicContact CG1-CB 4.27Å; W80-N84 PolarHBondContact O-N 3.25Å; N84-L88 WeakPolarHBondContact OD1-CB 3.42Å; N84-L88 WeakPolarHBondContact OD1-CD2 3.22Å; N84-L88 WeakPolarHBondContact OD1-CG 3.33Å; N84-I89 HydrophobicContact CB-CG1 4.41Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.37Å; N84-I89 PolarHBondContact OD1-N 3.3Å; N84-Q92 PolarHBondContact ND2-NE2 3.37Å; N84-Q92 PolarHBondContact ND2-OE1 3.34Å
85P91.6Very high91.1Very high15 Ų1550.4 Ų50.410%0.09725%0.249CC..  trans-63.9158.6177.928.7-36.8000111.1L83 W87 L88 I89 W153L83-P85 VanDerWaalsContact O-CD 3.3Å; L83-P85 WeakPolarHBondContact O-CD 3.49Å; P85-W87 HydrophobicContact CB-CG 4.48Å; P85-W87 HydrophobicContact CG-CD2 4.13Å; P85-W87 HydrophobicContact CG-CG 4.31Å; P85-W87 HydrophobicContact CG-CZ2 3.71Å; P85-W87 PolarHBondContact O-N 3.38Å; P85-L88 HydrophobicContact CG-CB 4.02Å; P85-L88 WeakPolarHBondContact O-CB 3.41Å; P85-L88 PolarHBondContact O-N 3.12Å; P85-I89 PolarHBondContact O-N 3.42Å; P85-I89 VanDerWaalsContact O-N 3.14Å; P85-W153 HydrophobicContact CG-CD2 4.35Å; P85-W153 HydrophobicContact CG-CG 4.09Å
86Y92Very high91.4Very high191 Ų19147.3 Ų47.375%0.74924%0.239SC*.Hα-helixtrans-52.2-35.9-175.860-93.4000114.1I89 G90Y86-I89 PolarHBondContact O-N 3.49Å; Y86-G90 PolarHBondContact O-N 3.37Å
87W93.2Very high91.9Very high27 Ų2742.2 Ų42.210%0.10222%0.22CC..Hα-helixtrans-68.1-35.4178.964.9-100.4000111.9P85 G90 V91 V143 F144 S147 W153P85-W87 HydrophobicContact CB-CG 4.48Å; P85-W87 HydrophobicContact CG-CD2 4.13Å; P85-W87 HydrophobicContact CG-CG 4.31Å; P85-W87 HydrophobicContact CG-CZ2 3.71Å; P85-W87 PolarHBondContact O-N 3.38Å; W87-G90 PolarHBondContact O-N 3.05Å; W87-V91 WeakPolarHBondContact O-CG2 3.48Å; W87-V91 PolarHBondContact O-N 3.38Å; W87-V143 HydrophobicContact CB-CG1 4.42Å; W87-F144 HydrophobicContact CH2-CD2 4.42Å; W87-F144 HydrophobicContact CH2-CE2 4.46Å; W87-F144 AromaticContact CZ3-CD2 3.83Å; W87-F144 HydrophobicContact CZ3-CD2 3.83Å; W87-F144 HydrophobicContact CZ3-CE2 4.27Å; W87-S147 VanDerWaalsContact CE3-CB 3.48Å; W87-W153 HydrophobicContact CH2-CE3 4.12Å; W87-W153 HydrophobicContact CH2-CH2 4.3Å; W87-W153 AromaticContact CH2-CZ3 3.94Å; W87-W153 HydrophobicContact CH2-CZ3 3.94Å; W87-W153 AromaticContact CZ2-CD2 3.82Å; W87-W153 HydrophobicContact CZ2-CD2 3.82Å; W87-W153 AromaticContact CZ2-CE3 3.61Å; W87-W153 HydrophobicContact CZ2-CE3 3.61Å; W87-W153 HydrophobicContact CZ2-CG 4.36Å; W87-W153 HydrophobicContact CZ2-CH2 4.38Å; W87-W153 AromaticContact CZ2-CZ3 3.91Å; W87-W153 HydrophobicContact CZ2-CZ3 3.91Å
88L92.8Very high92.5Very high1 Ų140.9 Ų40.91%0.00521%0.213CC..Hα-helixtrans-73.7-38178.7-177.567.4000110.7M42 N84 P85 G90 V91 Q92 F144M42-L88 HydrophobicContact CE-CD2 3.26Å; N84-L88 WeakPolarHBondContact OD1-CB 3.42Å; N84-L88 WeakPolarHBondContact OD1-CD2 3.22Å; N84-L88 WeakPolarHBondContact OD1-CG 3.33Å; P85-L88 HydrophobicContact CG-CB 4.02Å; P85-L88 WeakPolarHBondContact O-CB 3.41Å; P85-L88 PolarHBondContact O-N 3.12Å; L88-G90 VanDerWaalsContact C-N 3.27Å; L88-G90 PolarHBondContact O-N 2.8Å; L88-V91 PolarHBondContact O-N 3.04Å; L88-V91 VanDerWaalsContact O-N 3.16Å; L88-Q92 WeakPolarHBondContact O-CG 3.46Å; L88-Q92 PolarHBondContact O-N 2.94Å; L88-F144 HydrophobicContact CD1-CD2 4.05Å; L88-F144 HydrophobicContact CD1-CE2 3.9Å
89I94.2Very high93Very high48 Ų4840.6 Ų40.625%0.24620%0.199CC..Hα-helixtrans-58.7-42.8169.9-59.2173.7000110.1W80 N84 P85 Y86 V91 Q92 V93W80-I89 HydrophobicContact CH2-CD1 3.7Å; W80-I89 HydrophobicContact CZ2-CD1 4.09Å; N84-I89 HydrophobicContact CB-CG1 4.41Å; N84-I89 WeakPolarHBondContact OD1-CG1 3.37Å; N84-I89 PolarHBondContact OD1-N 3.3Å; P85-I89 PolarHBondContact O-N 3.42Å; P85-I89 VanDerWaalsContact O-N 3.14Å; Y86-I89 PolarHBondContact O-N 3.49Å; I89-V91 PolarHBondContact O-N 2.91Å; I89-Q92 WeakPolarHBondContact O-CB 3.47Å; I89-Q92 PolarHBondContact O-N 2.92Å; I89-V93 WeakPolarHBondContact O-CG2 3.43Å; I89-V93 PolarHBondContact O-N 3.21Å
90G94.9Very high93.4Very high32 Ų3244.4 Ų44.433%0.3322%0.222SC..Hα-helixtrans-57-46.7173.400000112.6Y86 W87 L88 V93 L94Y86-G90 PolarHBondContact O-N 3.37Å; W87-G90 PolarHBondContact O-N 3.05Å; L88-G90 VanDerWaalsContact C-N 3.27Å; L88-G90 PolarHBondContact O-N 2.8Å; G90-V93 PolarHBondContact O-N 3.04Å; G90-L94 WeakPolarHBondContact O-CB 3.35Å; G90-L94 VanDerWaalsContact O-CG 3.3Å; G90-L94 WeakPolarHBondContact O-CG 3.42Å; G90-L94 PolarHBondContact O-N 3.35Å
91V95.3Very high93.7Very high1 Ų143 Ų431%0.00622%0.222CC..Hα-helixtrans-63-41.4175.8173.90000111.7W87 L88 I89 V93 L94 I95 C140 V143 F144W87-V91 WeakPolarHBondContact O-CG2 3.48Å; W87-V91 PolarHBondContact O-N 3.38Å; L88-V91 PolarHBondContact O-N 3.04Å; L88-V91 VanDerWaalsContact O-N 3.16Å; I89-V91 PolarHBondContact O-N 2.91Å; V91-V93 VanDerWaalsContact C-N 3.35Å; V91-V93 PolarHBondContact O-N 2.93Å; V91-L94 PolarHBondContact O-N 3.36Å; V91-I95 VanDerWaalsContact O-CB 3.31Å; V91-I95 WeakPolarHBondContact O-CB 3.41Å; V91-I95 VanDerWaalsContact O-CG2 3.29Å; V91-I95 WeakPolarHBondContact O-CG2 3.49Å; V91-I95 PolarHBondContact O-N 2.86Å; V91-C140 HydrophobicContact CG1-CB 4.34Å; V91-V143 HydrophobicContact CG2-CB 3.98Å; V91-V143 HydrophobicContact CG2-CG1 3.63Å; V91-F144 HydrophobicContact CG2-CB 4.44Å
92Q95.5Very high94Very high3 Ų337.1 Ų37.11%0.01419%0.194CC..Hα-helixtrans-59.3-42.7175.8-78.6168.9-15.100112.1I44 W45 Y70 N84 L88 I89 I95 T96I44-Q92 HydrophobicContact CG2-CB 4.45Å; I44-Q92 HydrophobicContact CG2-CG 3.52Å; I44-Q92 PolarHBondContact O-NE2 2.95Å; W45-Q92 HydrophobicContact CH2-CB 4.33Å; Y70-Q92 PolarHBondContact OH-OE1 3.09Å; N84-Q92 PolarHBondContact ND2-NE2 3.37Å; N84-Q92 PolarHBondContact ND2-OE1 3.34Å; L88-Q92 WeakPolarHBondContact O-CG 3.46Å; L88-Q92 PolarHBondContact O-N 2.94Å; I89-Q92 WeakPolarHBondContact O-CB 3.47Å; I89-Q92 PolarHBondContact O-N 2.92Å; Q92-I95 WeakPolarHBondContact O-CG2 3.26Å; Q92-T96 VanDerWaalsContact O-CG2 3.26Å; Q92-T96 WeakPolarHBondContact O-CG2 3.48Å; Q92-T96 PolarHBondContact O-N 3.35Å; Q92-T96 VanDerWaalsContact O-N 3.15Å; Q92-T96 PolarHBondContact O-OG1 3.48Å
93V96Very high94.3Very high78 Ų7836.2 Ų36.247%0.47320%0.197SC..Hα-helixtrans-69.5-46177.2174.70000110.9I89 G90 V91 I95 T96 I97I89-V93 WeakPolarHBondContact O-CG2 3.43Å; I89-V93 PolarHBondContact O-N 3.21Å; G90-V93 PolarHBondContact O-N 3.04Å; V91-V93 VanDerWaalsContact C-N 3.35Å; V91-V93 PolarHBondContact O-N 2.93Å; V93-I95 VanDerWaalsContact C-N 3.34Å; V93-I95 PolarHBondContact O-N 3.42Å; V93-T96 WeakPolarHBondContact CA-OG1 3.39Å; V93-T96 PolarHBondContact O-N 3.48Å; V93-T96 PolarHBondContact O-OG1 3.45Å; V93-I97 HydrophobicContact CG1-CD1 3.82Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.28Å; V93-I97 PolarHBondContact O-N 3.18Å
94L95.9Very high94.5Very high48 Ų4839.2 Ų39.225%0.25122%0.218SC..Hα-helixtrans-63.6-41.1-179.9-70.8171.1000112.1G90 V91 I97 A98 L136 I139 C140G90-L94 WeakPolarHBondContact O-CB 3.35Å; G90-L94 VanDerWaalsContact O-CG 3.3Å; G90-L94 WeakPolarHBondContact O-CG 3.42Å; G90-L94 PolarHBondContact O-N 3.35Å; V91-L94 PolarHBondContact O-N 3.36Å; L94-I97 PolarHBondContact O-N 3.45Å; L94-A98 WeakPolarHBondContact O-CB 3.33Å; L94-A98 PolarHBondContact O-N 2.84Å; L94-L136 HydrophobicContact CD2-CD2 4.08Å; L94-I139 HydrophobicContact CD1-CG2 3.89Å; L94-C140 WeakPolarHBondContact CB-SG 3.42Å
95I95.4Very high94.5Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-71.2-32.7-179.5-155.6177.7000112.4F19 F23 W28 I44 V91 Q92 V93 A98 F99 I169F19-I95 HydrophobicContact CE2-CD1 3.82Å; F19-I95 HydrophobicContact CE2-CG1 3.5Å; F19-I95 HydrophobicContact CZ-CG1 3.79Å; F23-I95 HydrophobicContact CD2-CD1 4.24Å; F23-I95 HydrophobicContact CD2-CG1 4.3Å; F23-I95 HydrophobicContact CD2-CG2 4.3Å; F23-I95 HydrophobicContact CE2-CG2 4.18Å; W28-I95 HydrophobicContact CH2-CD1 3.8Å; W28-I95 HydrophobicContact CZ2-CD1 3.78Å; I44-I95 HydrophobicContact CD1-CD1 3.3Å; I44-I95 HydrophobicContact CD1-CG2 4.22Å; I44-I95 HydrophobicContact CG2-CG2 4.28Å; V91-I95 VanDerWaalsContact O-CB 3.31Å; V91-I95 WeakPolarHBondContact O-CB 3.41Å; V91-I95 VanDerWaalsContact O-CG2 3.29Å; V91-I95 WeakPolarHBondContact O-CG2 3.49Å; V91-I95 PolarHBondContact O-N 2.86Å; Q92-I95 WeakPolarHBondContact O-CG2 3.26Å; V93-I95 VanDerWaalsContact C-N 3.34Å; V93-I95 PolarHBondContact O-N 3.42Å; I95-A98 PolarHBondContact O-N 2.86Å; I95-F99 VanDerWaalsContact O-CB 3.27Å; I95-F99 WeakPolarHBondContact O-CB 3.44Å; I95-F99 PolarHBondContact O-N 3.32Å; I95-I169 HydrophobicContact CD1-CD1 3.91Å; I95-I169 HydrophobicContact CG1-CD1 4.48Å
96T96.2Very high94.4Very high43 Ų4340.9 Ų40.926%0.26423%0.226SC..Hα-helixtrans-69.5-39.7173.946.50000112.2F23 W45 Q92 V93 F99 T100F23-T96 HydrophobicContact CE2-CG2 4.12Å; F23-T96 HydrophobicContact CZ-CG2 4.32Å; W45-T96 HydrophobicContact CH2-CG2 3.6Å; W45-T96 HydrophobicContact CZ2-CG2 3.38Å; Q92-T96 VanDerWaalsContact O-CG2 3.26Å; Q92-T96 WeakPolarHBondContact O-CG2 3.48Å; Q92-T96 PolarHBondContact O-N 3.35Å; Q92-T96 VanDerWaalsContact O-N 3.15Å; Q92-T96 PolarHBondContact O-OG1 3.48Å; V93-T96 WeakPolarHBondContact CA-OG1 3.39Å; V93-T96 PolarHBondContact O-N 3.48Å; V93-T96 PolarHBondContact O-OG1 3.45Å; T96-F99 PolarHBondContact O-N 3.39Å; T96-T100 WeakPolarHBondContact O-CB 3.41Å; T96-T100 PolarHBondContact O-N 3.01Å; T96-T100 PolarHBondContact O-OG1 3.28Å
97I96.5Very high94.3Very high79 Ų7936.7 Ų36.741%0.40522%0.216SC..Hα-helixtrans-61.5-47.4172.5-66.7167000109.8V93 L94 F99 T100 A101 L136V93-I97 HydrophobicContact CG1-CD1 3.82Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.28Å; V93-I97 PolarHBondContact O-N 3.18Å; L94-I97 PolarHBondContact O-N 3.45Å; I97-F99 VanDerWaalsContact C-N 3.35Å; I97-F99 PolarHBondContact O-N 2.98Å; I97-T100 PolarHBondContact O-N 3.2Å; I97-A101 WeakPolarHBondContact O-CB 3.29Å; I97-A101 PolarHBondContact O-N 3.15Å; I97-L136 HydrophobicContact CG2-CD1 3.96Å
98A96.5Very high93.9Very high0 Ų038.9 Ų38.90%023%0.229CC..Hα-helixtrans-61.4-41.5177.200000112.2F19 L94 I95 A101 K102 L136 L137F19-A98 HydrophobicContact CE1-CB 4.28Å; F19-A98 HydrophobicContact CZ-CB 4.02Å; L94-A98 WeakPolarHBondContact O-CB 3.33Å; L94-A98 PolarHBondContact O-N 2.84Å; I95-A98 PolarHBondContact O-N 2.86Å; A98-A101 PolarHBondContact O-N 2.87Å; A98-K102 VanDerWaalsContact O-CB 3.32Å; A98-K102 WeakPolarHBondContact O-CB 3.22Å; A98-K102 PolarHBondContact O-N 3.49Å; A98-L136 HydrophobicContact CB-CB 4.04Å; A98-L136 HydrophobicContact CB-CD1 4.12Å; A98-L137 HydrophobicContact CB-CD2 3.99Å
99F95.9Very high93.4Very high41 Ų4140 Ų4018%0.1824%0.235CC..Hα-helixtrans-62.3-46.9177-175.3-101.3000111.8F16 F19 F20 F23 I95 T96 I97 K102 C103F16-F99 HydrophobicContact CE2-CE2 4.22Å; F19-F99 HydrophobicContact CD1-CD2 4.31Å; F19-F99 HydrophobicContact CE1-CB 3.93Å; F19-F99 HydrophobicContact CE1-CD2 4.08Å; F19-F99 HydrophobicContact CZ-CB 3.85Å; F19-F99 HydrophobicContact CZ-CD2 4.33Å; F20-F99 AromaticContact CD2-CE2 4Å; F20-F99 HydrophobicContact CD2-CE2 4Å; F20-F99 HydrophobicContact CD2-CZ 4.11Å; F23-F99 HydrophobicContact CD1-CD2 4.5Å; F23-F99 HydrophobicContact CD2-CB 4.5Å; F23-F99 HydrophobicContact CE2-CB 4.43Å; F23-F99 HydrophobicContact CG-CD2 4.31Å; I95-F99 VanDerWaalsContact O-CB 3.27Å; I95-F99 WeakPolarHBondContact O-CB 3.44Å; I95-F99 PolarHBondContact O-N 3.32Å; T96-F99 PolarHBondContact O-N 3.39Å; I97-F99 VanDerWaalsContact C-N 3.35Å; I97-F99 PolarHBondContact O-N 2.98Å; F99-K102 PolarHBondContact O-N 2.76Å; F99-C103 PolarHBondContact O-N 2.94Å; F99-C103 PolarHBondContact O-SG 2.92Å; F99-C103 VanDerWaalsContact O-SG 3.33Å
100T95.6Very high92.9Very high84 Ų8441.2 Ų41.252%0.51524%0.244SC..Hα-helixtrans-62.7-47177.8-52.70000110.9T96 I97 K102 C103 C104T96-T100 WeakPolarHBondContact O-CB 3.41Å; T96-T100 PolarHBondContact O-N 3.01Å; T96-T100 PolarHBondContact O-OG1 3.28Å; I97-T100 PolarHBondContact O-N 3.2Å; T100-K102 VanDerWaalsContact C-N 3.34Å; T100-K102 PolarHBondContact O-N 2.74Å; T100-C103 WeakPolarHBondContact O-CB 3.48Å; T100-C103 PolarHBondContact O-N 2.93Å; T100-C104 PolarHBondContact O-N 3.28Å; T100-C104 PolarHBondContact O-SG 2.96Å
101A94.9Very high92.3Very high22 Ų2243.5 Ų43.518%0.18225%0.248CC..Hα-helixtrans-60.2-41.9176.500000112I97 A98 C104 V105 I133I97-A101 WeakPolarHBondContact O-CB 3.29Å; I97-A101 PolarHBondContact O-N 3.15Å; A98-A101 PolarHBondContact O-N 2.87Å; A101-C104 WeakPolarHBondContact O-CB 3.46Å; A101-C104 PolarHBondContact O-N 3.48Å; A101-V105 WeakPolarHBondContact O-CG2 3.4Å; A101-V105 PolarHBondContact O-N 3.34Å; A101-I133 HydrophobicContact CB-CD1 4.23Å; A101-I133 HydrophobicContact CB-CG1 3.9Å
102K94.8Very high91.4Very high1 Ų145 Ų450%0.00425%0.254CS..Hα-helixtrans-63.7-43177.3-168.868.3171.3179.90112F16 F19 A98 F99 T100 C104 V105 I106 E130 I133F16-K102 HydrophobicContact CD2-CG 3.94Å; F19-K102 HydrophobicContact CD1-CB 4.24Å; F19-K102 HydrophobicContact CD1-CG 4.21Å; F19-K102 HydrophobicContact CE1-CB 4.24Å; A98-K102 VanDerWaalsContact O-CB 3.32Å; A98-K102 WeakPolarHBondContact O-CB 3.22Å; A98-K102 PolarHBondContact O-N 3.49Å; F99-K102 PolarHBondContact O-N 2.76Å; T100-K102 VanDerWaalsContact C-N 3.34Å; T100-K102 PolarHBondContact O-N 2.74Å; K102-C104 VanDerWaalsContact C-N 3.34Å; K102-C104 PolarHBondContact O-N 2.67Å; K102-V105 PolarHBondContact O-N 3.22Å; K102-I106 HydrophobicContact CD-CD1 4.44Å; K102-I106 HydrophobicContact CG-CD1 4Å; K102-I106 WeakPolarHBondContact O-CD1 3.47Å; K102-I106 VanDerWaalsContact O-CG1 3.3Å; K102-I106 WeakPolarHBondContact O-CG1 3.28Å; K102-I106 PolarHBondContact O-N 2.95Å; K102-E130 IonicContact NZ-OE1 2.67Å; K102-E130 PolarHBondContact NZ-OE1 3.45Å; K102-E130 IonicContact NZ-OE2 2.74Å; K102-E130 PolarHBondContact NZ-OE2 2.92Å; K102-I133 VanDerWaalsContact CA-CD1 3.48Å; K102-I133 HydrophobicContact CB-CD1 3.9Å; K102-I133 HydrophobicContact CB-CG2 4.47Å; K102-I133 HydrophobicContact CD-CD1 3.74Å; K102-I133 HydrophobicContact CD-CG2 4.24Å; K102-I133 HydrophobicContact CG-CD1 4.43Å
103C94.3Very high90.4Very high45 Ų4550.7 Ų50.730%0.30428%0.28SS..Hα-helixtrans-59.3-43.8172.9-71.10000111.8F99 T100 I106 L107F99-C103 PolarHBondContact O-N 2.94Å; F99-C103 PolarHBondContact O-SG 2.92Å; F99-C103 VanDerWaalsContact O-SG 3.33Å; T100-C103 WeakPolarHBondContact O-CB 3.48Å; T100-C103 PolarHBondContact O-N 2.93Å; C103-I106 PolarHBondContact O-N 3.41Å; C103-L107 VanDerWaalsContact O-CB 3.29Å; C103-L107 WeakPolarHBondContact O-CB 3.04Å; C103-L107 PolarHBondContact O-N 3.35Å
104C92.5Very high89.6Confident65 Ų6553.3 Ų53.344%0.43929%0.291SS..Hα-helixtrans-62.4-45.5176.5-67.50000112.5T100 A101 K102 I106 L107 I108T100-C104 PolarHBondContact O-N 3.28Å; T100-C104 PolarHBondContact O-SG 2.96Å; A101-C104 WeakPolarHBondContact O-CB 3.46Å; A101-C104 PolarHBondContact O-N 3.48Å; K102-C104 VanDerWaalsContact C-N 3.34Å; K102-C104 PolarHBondContact O-N 2.67Å; C104-I106 PolarHBondContact O-N 2.69Å; C104-L107 PolarHBondContact O-N 3.39Å; C104-I108 WeakPolarHBondContact O-CD1 3.41Å; C104-I108 VanDerWaalsContact O-CG1 3.25Å; C104-I108 WeakPolarHBondContact O-CG1 3.35Å; C104-I108 PolarHBondContact O-N 2.96Å
105V91Very high88.3Confident13 Ų1356.2 Ų56.28%0.07931%0.306CS..Hα-helixtrans-62-44.8178.7171.70000111.1A101 K102 I108 L109 E130 I133A101-V105 WeakPolarHBondContact O-CG2 3.4Å; A101-V105 PolarHBondContact O-N 3.34Å; K102-V105 PolarHBondContact O-N 3.22Å; V105-I108 PolarHBondContact O-N 3Å; V105-L109 HydrophobicContact CG1-CD1 4.08Å; V105-L109 HydrophobicContact CG1-CG 4.49Å; V105-L109 WeakPolarHBondContact O-CG 3.25Å; V105-L109 PolarHBondContact O-N 3.42Å; V105-E130 HydrophobicContact CG1-CG 4.35Å; V105-I133 HydrophobicContact CB-CD1 4.46Å; V105-I133 HydrophobicContact CG2-CD1 3.97Å
106I89.8Confident86.8Confident37 Ų3762.7 Ų62.719%0.1933%0.334CS..Hα-helixtrans-65.7-41.6177.9-66.9164.8000111F16 K102 C103 C104 I108 L109 V110F16-I106 HydrophobicContact CB-CD1 3.35Å; F16-I106 HydrophobicContact CD1-CD1 4Å; F16-I106 HydrophobicContact CD2-CD1 3.24Å; F16-I106 HydrophobicContact CE2-CD1 3.99Å; F16-I106 HydrophobicContact CG-CD1 3.23Å; K102-I106 HydrophobicContact CD-CD1 4.44Å; K102-I106 HydrophobicContact CG-CD1 4Å; K102-I106 WeakPolarHBondContact O-CD1 3.47Å; K102-I106 VanDerWaalsContact O-CG1 3.3Å; K102-I106 WeakPolarHBondContact O-CG1 3.28Å; K102-I106 PolarHBondContact O-N 2.95Å; C103-I106 PolarHBondContact O-N 3.41Å; C104-I106 PolarHBondContact O-N 2.69Å; I106-I108 VanDerWaalsContact C-N 3.31Å; I106-I108 PolarHBondContact O-N 3.21Å; I106-L109 PolarHBondContact O-N 2.96Å; I106-V110 HydrophobicContact CG2-CG2 4.16Å; I106-V110 WeakPolarHBondContact O-CB 3.37Å; I106-V110 VanDerWaalsContact O-CG2 3.29Å; I106-V110 WeakPolarHBondContact O-CG2 3.19Å; I106-V110 PolarHBondContact O-N 2.97Å
107L88.9Confident85.2Confident103 Ų10364.6 Ų64.654%0.53936%0.363SS..Hα-helixtrans-59.2-44.9176.1-178.565.5000110.9C103 C104 V110 L111C103-L107 VanDerWaalsContact O-CB 3.29Å; C103-L107 WeakPolarHBondContact O-CB 3.04Å; C103-L107 PolarHBondContact O-N 3.35Å; C104-L107 PolarHBondContact O-N 3.39Å; L107-V110 PolarHBondContact O-N 3.5Å; L107-L111 HydrophobicContact CD1-CD1 4.16Å; L107-L111 HydrophobicContact CD1-CG 4.24Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.38Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.05Å
108I84.9Confident83.4Confident73 Ų7368.3 Ų68.337%0.37438%0.378SS..Hα-helixtrans-60.8-46.4175.4-67.5163000110.4C104 V105 I106 V110 L111 Y112C104-I108 WeakPolarHBondContact O-CD1 3.41Å; C104-I108 VanDerWaalsContact O-CG1 3.25Å; C104-I108 WeakPolarHBondContact O-CG1 3.35Å; C104-I108 PolarHBondContact O-N 2.96Å; V105-I108 PolarHBondContact O-N 3Å; I106-I108 VanDerWaalsContact C-N 3.31Å; I106-I108 PolarHBondContact O-N 3.21Å; I108-V110 PolarHBondContact O-N 3.38Å; I108-L111 PolarHBondContact O-N 3.06Å; I108-Y112 VanDerWaalsContact O-CB 3.22Å; I108-Y112 WeakPolarHBondContact O-CB 3.33Å; I108-Y112 PolarHBondContact O-N 3.05Å
109L82.7Confident81.6Confident25 Ų2571.5 Ų71.513%0.13140%0.399CS..Hα-helixtrans-62.9-37.7178.1-72.1173.1000113.2A12 V105 I106 Y112 H113 A126A12-L109 HydrophobicContact CB-CD1 4.46Å; V105-L109 HydrophobicContact CG1-CD1 4.08Å; V105-L109 HydrophobicContact CG1-CG 4.49Å; V105-L109 WeakPolarHBondContact O-CG 3.25Å; V105-L109 PolarHBondContact O-N 3.42Å; I106-L109 PolarHBondContact O-N 2.96Å; L109-Y112 WeakPolarHBondContact O-CB 3.49Å; L109-H113 PolarHBondContact O-N 3.31Å; L109-H113 VanDerWaalsContact O-N 3.09Å; L109-A126 HydrophobicContact CD2-CB 3.85Å; L109-A126 HydrophobicContact CG-CB 4.4Å
110V84.3Confident80Confident73 Ų7371 Ų7144%0.44240%0.402SS..Hα-helixtrans-72.1-45.1177.2170.90000110.7I106 L107 I108 Y112 H113 L114I106-V110 HydrophobicContact CG2-CG2 4.16Å; I106-V110 WeakPolarHBondContact O-CB 3.37Å; I106-V110 VanDerWaalsContact O-CG2 3.29Å; I106-V110 WeakPolarHBondContact O-CG2 3.19Å; I106-V110 PolarHBondContact O-N 2.97Å; L107-V110 PolarHBondContact O-N 3.5Å; I108-V110 PolarHBondContact O-N 3.38Å; V110-Y112 VanDerWaalsContact C-N 3.29Å; V110-Y112 PolarHBondContact O-N 2.96Å; V110-H113 PolarHBondContact O-N 3.44Å; V110-L114 HydrophobicContact CG1-CD1 3.98Å; V110-L114 WeakPolarHBondContact O-CG 3.32Å; V110-L114 PolarHBondContact O-N 3.01Å
111L82.2Confident78.5Confident79 Ų7970.7 Ų70.741%0.41441%0.408SS..Hα-helixtrans-60.5-41.7175.4-72.4171.3000110.9L107 I108 H113 L114 L115L107-L111 HydrophobicContact CD1-CD1 4.16Å; L107-L111 HydrophobicContact CD1-CG 4.24Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.38Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.05Å; I108-L111 PolarHBondContact O-N 3.06Å; L111-H113 VanDerWaalsContact C-N 3.35Å; L111-H113 PolarHBondContact O-N 3.21Å; L111-L114 PolarHBondContact O-N 2.79Å; L111-L115 HydrophobicContact CB-CD1 4.02Å; L111-L115 HydrophobicContact CD2-CD1 3.58Å; L111-L115 HydrophobicContact CG-CD1 4.39Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-L115 PolarHBondContact O-N 3.49Å
112Y76.4Confident77.3Confident33 Ų3373.6 Ų73.613%0.12942%0.418CS..Hα-helixtrans-55.4-48.6172.6171.3-98.5000111.7F5 I108 L109 V110 L114 F116 H118 P119 E122F5-Y112 HydrophobicContact CE1-CE1 4.08Å; F5-Y112 HydrophobicContact CE2-CD1 4.33Å; F5-Y112 AromaticContact CE2-CE1 3.79Å; F5-Y112 HydrophobicContact CE2-CE1 3.79Å; F5-Y112 AromaticContact CZ-CD1 3.69Å; F5-Y112 HydrophobicContact CZ-CD1 3.69Å; F5-Y112 AromaticContact CZ-CE1 3.34Å; F5-Y112 HydrophobicContact CZ-CE1 3.34Å; I108-Y112 VanDerWaalsContact O-CB 3.22Å; I108-Y112 WeakPolarHBondContact O-CB 3.33Å; I108-Y112 PolarHBondContact O-N 3.05Å; L109-Y112 WeakPolarHBondContact O-CB 3.49Å; V110-Y112 VanDerWaalsContact C-N 3.29Å; V110-Y112 PolarHBondContact O-N 2.96Å; Y112-L114 VanDerWaalsContact C-N 3.28Å; Y112-L114 PolarHBondContact O-N 3.23Å; Y112-F116 CarbonylContact O-C 3.58Å; Y112-F116 PolarHBondContact O-N 3.36Å; Y112-H118 WeakPolarHBondContact CE2-O 3.21Å; Y112-P119 WeakPolarHBondContact OH-CA 3.37Å; Y112-E122 HydrophobicContact CD2-CB 4.34Å; Y112-E122 VanDerWaalsContact CD2-OE2 3.28Å; Y112-E122 WeakPolarHBondContact CD2-OE2 3.24Å
113H74.7Confident76.4Confident122 Ų12274.3 Ų74.357%0.56542%0.423SS*.Hα-helixtrans-65.4-30.7-179.9-165.157.1000113.3L109 V110 L111L109-H113 PolarHBondContact O-N 3.31Å; L109-H113 VanDerWaalsContact O-N 3.09Å; V110-H113 PolarHBondContact O-N 3.44Å; L111-H113 VanDerWaalsContact C-N 3.35Å; L111-H113 PolarHBondContact O-N 3.21Å
114L77.6Confident75.8Confident134 Ų13474.4 Ų74.470%0.70242%0.422SS*.Hα-helixtrans-89.2-36.3-176.9-69.1176.6000114.3V110 L111 Y112V110-L114 HydrophobicContact CG1-CD1 3.98Å; V110-L114 WeakPolarHBondContact O-CG 3.32Å; V110-L114 PolarHBondContact O-N 3.01Å; L111-L114 PolarHBondContact O-N 2.79Å; Y112-L114 VanDerWaalsContact C-N 3.28Å; Y112-L114 PolarHBondContact O-N 3.23Å
115L69.8Low75.4Confident108 Ų10877.4 Ų77.457%0.56543%0.432SS*.Hα-helixtrans-103.9-38.4-167.2-74.3139000114L111L111-L115 HydrophobicContact CB-CD1 4.02Å; L111-L115 HydrophobicContact CD2-CD1 3.58Å; L111-L115 HydrophobicContact CG-CD1 4.39Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-L115 PolarHBondContact O-N 3.49Å
116F62.9Low75.2Confident136 Ų13677 Ų7760%0.59643%0.429SS*.  trans-143.898.8-168.3-67-75.9000111.1Y112 H118Y112-F116 CarbonylContact O-C 3.58Å; Y112-F116 PolarHBondContact O-N 3.36Å; F116-H118 PolarHBondContact O-N 3.36Å
117G63.7Low75.2Confident84 Ų8476.6 Ų76.687%0.86643%0.427SS*.  trans-69.623.2173.700000115.4
118H57.4Low75.3Confident156 Ų15676 Ų7672%0.72243%0.428SS*.  trans-109.2130.6-174.4-150.6-57.1000111.4Y112 F116Y112-H118 WeakPolarHBondContact CE2-O 3.21Å; F116-H118 PolarHBondContact O-N 3.36Å
119P59.4Low75.7Confident68 Ų6873.2 Ų73.244%0.44242%0.417SS..  trans-108.2-2.8-140.625-9.9000120.4Y112Y112-P119 WeakPolarHBondContact OH-CA 3.37Å
120A61.4Low76.2Confident30 Ų3072 Ų7225%0.24841%0.411CS..SBendtrans-87.5-60.6-163.600000115.7S123 D190 Q194A120-S123 PolarHBondContact O-OG 2.86Å; A120-D190 WeakPolarHBondContact CA-OD2 3Å; A120-D190 WeakPolarHBondContact CB-OD2 3.4Å; A120-Q194 VanDerWaalsContact CB-NE2 3.34Å
121A64.5Low76.8Confident77 Ų7770.9 Ų70.964%0.63640%0.404SS*.Hα-helixtrans-72.5-39.5-162.700000114.1S123 T124A121-S123 VanDerWaalsContact C-N 3.33Å; A121-S123 PolarHBondContact O-N 2.83Å; A121-T124 PolarHBondContact O-N 3.39Å; A121-T124 PolarHBondContact O-OG1 3.26Å
122E71.2Confident77.4Confident84 Ų8472 Ų7239%0.39341%0.406SS..Hα-helixtrans-75.1-22.5-170.1-60.9-170.9177.600113.3Y112 T124 M125 A126Y112-E122 HydrophobicContact CD2-CB 4.34Å; Y112-E122 VanDerWaalsContact CD2-OE2 3.28Å; Y112-E122 WeakPolarHBondContact CD2-OE2 3.24Å; E122-T124 PolarHBondContact O-N 3.44Å; E122-M125 PolarHBondContact O-N 3.25Å; E122-A126 PolarHBondContact O-N 3.35Å; E122-A126 VanDerWaalsContact O-N 3.12Å
123S75.8Confident78.3Confident15 Ų1570.4 Ų70.411%0.10540%0.4CS..Hα-helixtrans-60-36.5176.772.30000112.1A120 A121 A126 L127 S187A120-S123 PolarHBondContact O-OG 2.86Å; A121-S123 VanDerWaalsContact C-N 3.33Å; A121-S123 PolarHBondContact O-N 2.83Å; S123-A126 PolarHBondContact O-N 3.42Å; S123-L127 WeakPolarHBondContact O-CB 3.5Å; S123-L127 PolarHBondContact O-N 3.2Å; S123-S187 PolarHBondContact OG-OG 3.31Å
124T81.1Confident79.3Confident47 Ų4764.6 Ų64.629%0.28837%0.373SS..Hα-helixtrans-69.8-38.1-179.766.40000112.1A121 E122 L127 V128A121-T124 PolarHBondContact O-N 3.39Å; A121-T124 PolarHBondContact O-OG1 3.26Å; E122-T124 PolarHBondContact O-N 3.44Å; T124-L127 WeakPolarHBondContact O-CB 3.37Å; T124-L127 PolarHBondContact O-N 2.96Å; T124-V128 WeakPolarHBondContact O-CG2 3.47Å; T124-V128 PolarHBondContact O-N 3.48Å
125M83Confident80.3Confident129 Ų12962.3 Ų62.364%0.63536%0.36SS*.Hα-helixtrans-68.4-41.5176.8-68-61.2-66.700111.5E122 L127 V128 G129E122-M125 PolarHBondContact O-N 3.25Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-V128 PolarHBondContact O-N 3.3Å; M125-G129 PolarHBondContact O-N 3.34Å
126A87.1Confident81.6Confident3 Ų358 Ų583%0.02534%0.338CS..Hα-helixtrans-62.9-40.9174.900000111.7L109 E122 S123 G129 E130 L183L109-A126 HydrophobicContact CD2-CB 3.85Å; L109-A126 HydrophobicContact CG-CB 4.4Å; E122-A126 PolarHBondContact O-N 3.35Å; E122-A126 VanDerWaalsContact O-N 3.12Å; S123-A126 PolarHBondContact O-N 3.42Å; A126-G129 PolarHBondContact O-N 3.44Å; A126-E130 WeakPolarHBondContact O-CG 3.49Å; A126-E130 PolarHBondContact O-N 3.49Å; A126-L183 HydrophobicContact CB-CD1 4.13Å
127L90.1Very high83.2Confident30 Ų3051.6 Ų51.616%0.15731%0.309CS..Hα-helixtrans-59.1-51.6174.7173.8124000111.9S123 T124 M125 G129 E130 V131 L183 Y184S123-L127 WeakPolarHBondContact O-CB 3.5Å; S123-L127 PolarHBondContact O-N 3.2Å; T124-L127 WeakPolarHBondContact O-CB 3.37Å; T124-L127 PolarHBondContact O-N 2.96Å; M125-L127 VanDerWaalsContact C-N 3.34Å; L127-G129 VanDerWaalsContact C-N 3.26Å; L127-G129 PolarHBondContact O-N 2.94Å; L127-E130 PolarHBondContact O-N 3.48Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.01Å; L127-L183 HydrophobicContact CB-CB 4.16Å; L127-L183 HydrophobicContact CD1-CB 4.01Å; L127-Y184 HydrophobicContact CD1-CD2 4.04Å; L127-Y184 HydrophobicContact CD1-CG 4.3Å
128V91.8Very high84.7Confident90 Ų9049.9 Ų49.955%0.54528%0.282SS..Hα-helixtrans-60.5-40.5179.5174.20000110.5T124 M125 F132T124-V128 WeakPolarHBondContact O-CG2 3.47Å; T124-V128 PolarHBondContact O-N 3.48Å; M125-V128 PolarHBondContact O-N 3.3Å; V128-F132 VanDerWaalsContact O-CB 3.28Å; V128-F132 WeakPolarHBondContact O-CB 3.38Å; V128-F132 PolarHBondContact O-N 2.94Å
129G92.7Very high86.6Confident15 Ų1545.9 Ų45.916%0.15527%0.266CS..Hα-helixtrans-60.3-48.9175.500000113.3M125 A126 L127 V131 F132 I133M125-G129 PolarHBondContact O-N 3.34Å; A126-G129 PolarHBondContact O-N 3.44Å; L127-G129 VanDerWaalsContact C-N 3.26Å; L127-G129 PolarHBondContact O-N 2.94Å; G129-V131 PolarHBondContact O-N 3.32Å; G129-F132 PolarHBondContact O-N 3.32Å; G129-I133 VanDerWaalsContact O-CD1 3.24Å; G129-I133 WeakPolarHBondContact O-CD1 3.5Å; G129-I133 WeakPolarHBondContact O-CG1 3.41Å; G129-I133 PolarHBondContact O-N 2.91Å
130E94.1Very high88.4Confident0 Ų042.7 Ų42.70%025%0.245CC..Hα-helixtrans-63.7-40.8179.4-73.6-65166.800112.7K102 V105 A126 L127 G134 L183K102-E130 IonicContact NZ-OE1 2.67Å; K102-E130 PolarHBondContact NZ-OE1 3.45Å; K102-E130 IonicContact NZ-OE2 2.74Å; K102-E130 PolarHBondContact NZ-OE2 2.92Å; V105-E130 HydrophobicContact CG1-CG 4.35Å; A126-E130 WeakPolarHBondContact O-CG 3.49Å; A126-E130 PolarHBondContact O-N 3.49Å; L127-E130 PolarHBondContact O-N 3.48Å; E130-G134 PolarHBondContact O-N 3.37Å; E130-L183 HydrophobicContact CG-CD1 4.03Å
131V95.2Very high90Very high49 Ų4942.5 Ų42.530%0.29724%0.239SC..Hα-helixtrans-62.7-47.5174.4176.40000110.7L127 G129 I133 G134 I135 S180L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.01Å; G129-V131 PolarHBondContact O-N 3.32Å; V131-I133 VanDerWaalsContact C-N 3.33Å; V131-I133 PolarHBondContact O-N 2.93Å; V131-G134 PolarHBondContact O-N 3.41Å; V131-I135 HydrophobicContact CG1-CD1 3.81Å; V131-I135 HydrophobicContact CG1-CG1 4.43Å; V131-I135 WeakPolarHBondContact O-CG1 3.3Å; V131-I135 PolarHBondContact O-N 2.88Å; V131-S180 WeakPolarHBondContact CG2-OG 3.42Å
132F95.7Very high91.5Very high102 Ų10243.6 Ų43.645%0.44723%0.234SC..Hα-helixtrans-59.3-45-179.4179.8-109.2000111.6V128 G129 I135 L136V128-F132 VanDerWaalsContact O-CB 3.28Å; V128-F132 WeakPolarHBondContact O-CB 3.38Å; V128-F132 PolarHBondContact O-N 2.94Å; G129-F132 PolarHBondContact O-N 3.32Å; F132-I135 PolarHBondContact O-N 3.23Å; F132-L136 HydrophobicContact CD1-CD1 3.96Å; F132-L136 HydrophobicContact CE1-CD1 3.44Å; F132-L136 VanDerWaalsContact CE1-CD1 3.44Å; F132-L136 HydrophobicContact CE1-CG 4.28Å; F132-L136 HydrophobicContact CE2-CD1 4.39Å; F132-L136 HydrophobicContact CE2-CG 4.45Å; F132-L136 HydrophobicContact CZ-CD1 3.69Å; F132-L136 HydrophobicContact CZ-CD2 4.44Å; F132-L136 HydrophobicContact CZ-CG 4.21Å; F132-L136 WeakPolarHBondContact O-CG 3.46Å; F132-L136 PolarHBondContact O-N 3.44Å
133I96.1Very high92.7Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-65-44.3176.5-63.7155.3000110.8A101 K102 V105 G129 V131 I135 L136 L137A101-I133 HydrophobicContact CB-CD1 4.23Å; A101-I133 HydrophobicContact CB-CG1 3.9Å; K102-I133 VanDerWaalsContact CA-CD1 3.48Å; K102-I133 HydrophobicContact CB-CD1 3.9Å; K102-I133 HydrophobicContact CB-CG2 4.47Å; K102-I133 HydrophobicContact CD-CD1 3.74Å; K102-I133 HydrophobicContact CD-CG2 4.24Å; K102-I133 HydrophobicContact CG-CD1 4.43Å; V105-I133 HydrophobicContact CB-CD1 4.46Å; V105-I133 HydrophobicContact CG2-CD1 3.97Å; G129-I133 VanDerWaalsContact O-CD1 3.24Å; G129-I133 WeakPolarHBondContact O-CD1 3.5Å; G129-I133 WeakPolarHBondContact O-CG1 3.41Å; G129-I133 PolarHBondContact O-N 2.91Å; V131-I133 VanDerWaalsContact C-N 3.33Å; V131-I133 PolarHBondContact O-N 2.93Å; I133-I135 VanDerWaalsContact C-N 3.29Å; I133-I135 PolarHBondContact O-N 3.05Å; I133-L136 PolarHBondContact O-N 2.97Å; I133-L137 HydrophobicContact CG2-CD1 3.89Å; I133-L137 HydrophobicContact CG2-CG 4.06Å; I133-L137 WeakPolarHBondContact O-CB 3.3Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.06Å; I133-L137 PolarHBondContact O-N 3.31Å
134G96Very high93.5Very high0 Ų041.4 Ų41.40%023%0.225CC..Hα-helixtrans-56.4-42.3176.600000112.8E130 V131 T138E130-G134 PolarHBondContact O-N 3.37Å; V131-G134 PolarHBondContact O-N 3.41Å; G134-T138 WeakPolarHBondContact O-CB 2.97Å; G134-T138 PolarHBondContact O-N 3.3Å; G134-T138 PolarHBondContact O-OG1 2.88Å
135I97Very high94Very high85 Ų8539.9 Ų39.944%0.43622%0.219SC..Hα-helixtrans-65-49.1175.8-66.2166.5000110.9V131 F132 I133 L137 T138 I139V131-I135 HydrophobicContact CG1-CD1 3.81Å; V131-I135 HydrophobicContact CG1-CG1 4.43Å; V131-I135 WeakPolarHBondContact O-CG1 3.3Å; V131-I135 PolarHBondContact O-N 2.88Å; F132-I135 PolarHBondContact O-N 3.23Å; I133-I135 VanDerWaalsContact C-N 3.29Å; I133-I135 PolarHBondContact O-N 3.05Å; I135-L137 PolarHBondContact O-N 2.97Å; I135-T138 WeakPolarHBondContact O-CB 2.95Å; I135-T138 PolarHBondContact O-N 2.83Å; I135-I139 HydrophobicContact CG2-CD1 3.96Å; I135-I139 WeakPolarHBondContact O-CG1 3.27Å; I135-I139 PolarHBondContact O-N 3.44Å
136L96.8Very high94.5Very high18 Ų1839.6 Ų39.69%0.09422%0.218CC..Hα-helixtrans-59.3-45.7179.1-71.4179.8000112.1L94 I97 A98 F132 I133 T138 I139 C140L94-L136 HydrophobicContact CD2-CD2 4.08Å; I97-L136 HydrophobicContact CG2-CD1 3.96Å; A98-L136 HydrophobicContact CB-CB 4.04Å; A98-L136 HydrophobicContact CB-CD1 4.12Å; F132-L136 HydrophobicContact CD1-CD1 3.96Å; F132-L136 HydrophobicContact CE1-CD1 3.44Å; F132-L136 VanDerWaalsContact CE1-CD1 3.44Å; F132-L136 HydrophobicContact CE1-CG 4.28Å; F132-L136 HydrophobicContact CE2-CD1 4.39Å; F132-L136 HydrophobicContact CE2-CG 4.45Å; F132-L136 HydrophobicContact CZ-CD1 3.69Å; F132-L136 HydrophobicContact CZ-CD2 4.44Å; F132-L136 HydrophobicContact CZ-CG 4.21Å; F132-L136 WeakPolarHBondContact O-CG 3.46Å; F132-L136 PolarHBondContact O-N 3.44Å; I133-L136 PolarHBondContact O-N 2.97Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 3.34Å; L136-I139 PolarHBondContact O-N 3.24Å; L136-C140 PolarHBondContact O-N 3.48Å; L136-C140 PolarHBondContact O-SG 3.32Å
137L96.5Very high94.7Very high1 Ų140.7 Ų40.71%0.00523%0.226CC..Hα-helixtrans-62.7-39.9177.1-66.3-178.9000111.4F19 A98 I133 I135 I139 C140 I141 I169 A172 A173F19-L137 HydrophobicContact CD2-CD2 4.14Å; F19-L137 HydrophobicContact CE1-CD2 4.12Å; F19-L137 HydrophobicContact CE2-CD2 3.64Å; F19-L137 HydrophobicContact CZ-CD2 3.63Å; A98-L137 HydrophobicContact CB-CD2 3.99Å; I133-L137 HydrophobicContact CG2-CD1 3.89Å; I133-L137 HydrophobicContact CG2-CG 4.06Å; I133-L137 WeakPolarHBondContact O-CB 3.3Å; I133-L137 VanDerWaalsContact O-CG 3.31Å; I133-L137 WeakPolarHBondContact O-CG 3.06Å; I133-L137 PolarHBondContact O-N 3.31Å; I135-L137 PolarHBondContact O-N 2.97Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.98Å; L137-C140 WeakPolarHBondContact O-CB 3.46Å; L137-C140 PolarHBondContact O-N 3.28Å; L137-I141 WeakPolarHBondContact O-CD1 3.15Å; L137-I141 WeakPolarHBondContact O-CG1 3.32Å; L137-I141 PolarHBondContact O-N 2.98Å; L137-I169 HydrophobicContact CD2-CD1 3.96Å; L137-I169 HydrophobicContact CD2-CG1 4.13Å; L137-A172 HydrophobicContact CD1-CB 4.4Å; L137-A173 HydrophobicContact CB-CB 3.99Å; L137-A173 HydrophobicContact CD1-CB 4.39Å
138T97Very high94.5Very high49 Ų4939.7 Ų39.730%0.30122%0.222SC..Hα-helixtrans-61.5-43.8176.6-57.10000111.2G134 I135 L136 I141 L142 F177G134-T138 WeakPolarHBondContact O-CB 2.97Å; G134-T138 PolarHBondContact O-N 3.3Å; G134-T138 PolarHBondContact O-OG1 2.88Å; I135-T138 WeakPolarHBondContact O-CB 2.95Å; I135-T138 PolarHBondContact O-N 2.83Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 3.34Å; T138-I141 PolarHBondContact O-N 3.45Å; T138-L142 HydrophobicContact CG2-CD1 4.11Å; T138-L142 HydrophobicContact CG2-CG 4.49Å; T138-L142 WeakPolarHBondContact O-CB 3.44Å; T138-L142 VanDerWaalsContact O-CG 3.3Å; T138-L142 WeakPolarHBondContact O-CG 3.32Å; T138-L142 PolarHBondContact O-N 2.87Å; T138-F177 WeakPolarHBondContact OG1-CE2 3.28Å
139I96.8Very high94.3Very high72 Ų7242 Ų4237%0.36923%0.226SC..Hα-helixtrans-61.4-45.9175.3-64.3165.5000110.3L94 I135 L136 L137 I141 L142 V143L94-I139 HydrophobicContact CD1-CG2 3.89Å; I135-I139 HydrophobicContact CG2-CD1 3.96Å; I135-I139 WeakPolarHBondContact O-CG1 3.27Å; I135-I139 PolarHBondContact O-N 3.44Å; L136-I139 PolarHBondContact O-N 3.24Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-I139 PolarHBondContact O-N 2.98Å; I139-I141 PolarHBondContact O-N 3.19Å; I139-L142 PolarHBondContact O-N 3.3Å; I139-V143 HydrophobicContact CG2-CG2 4.13Å; I139-V143 WeakPolarHBondContact O-CB 3.43Å; I139-V143 VanDerWaalsContact O-CG2 3.3Å; I139-V143 WeakPolarHBondContact O-CG2 3.25Å; I139-V143 PolarHBondContact O-N 3.21Å
140C95.8Very high93.9Very high0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-57.7-46.7176.6-69.50000112.3V91 L94 L136 L137 F144 I169V91-C140 HydrophobicContact CG1-CB 4.34Å; L94-C140 WeakPolarHBondContact CB-SG 3.42Å; L136-C140 PolarHBondContact O-N 3.48Å; L136-C140 PolarHBondContact O-SG 3.32Å; L137-C140 WeakPolarHBondContact O-CB 3.46Å; L137-C140 PolarHBondContact O-N 3.28Å; C140-F144 WeakPolarHBondContact O-CB 3.17Å; C140-F144 PolarHBondContact O-N 3.03Å; C140-I169 HydrophobicContact CB-CD1 4.36Å
141I96.2Very high93.5Very high27 Ų2750.6 Ų50.614%0.13826%0.261CS..Hα-helixtrans-61.1-45.9179.2-68.9159.3000110.4L137 T138 I139 G145 F166 I169 I170 A173L137-I141 WeakPolarHBondContact O-CD1 3.15Å; L137-I141 WeakPolarHBondContact O-CG1 3.32Å; L137-I141 PolarHBondContact O-N 2.98Å; T138-I141 PolarHBondContact O-N 3.45Å; I139-I141 PolarHBondContact O-N 3.19Å; I141-G145 WeakPolarHBondContact O-CA 3.46Å; I141-G145 PolarHBondContact O-N 3.44Å; I141-F166 HydrophobicContact CG2-CE2 4.4Å; I141-F166 HydrophobicContact CG2-CZ 3.83Å; I141-I169 HydrophobicContact CD1-CG1 4.18Å; I141-I169 HydrophobicContact CG1-CD1 4.25Å; I141-I169 HydrophobicContact CG1-CG1 4.02Å; I141-I169 HydrophobicContact CG1-CG2 4.04Å; I141-I170 HydrophobicContact CD1-CB 4.44Å; I141-I170 HydrophobicContact CD1-CG1 3.99Å; I141-I170 HydrophobicContact CG1-CG1 4.21Å; I141-I170 HydrophobicContact CG2-CD1 4.47Å; I141-I170 HydrophobicContact CG2-CG1 3.93Å; I141-A173 HydrophobicContact CD1-CB 3.82Å
142L95.8Very high93Very high100 Ų10054.5 Ų54.552%0.52429%0.285SS..Hα-helixtrans-66-49.9-179.7-71.3173.5000111.8T138 I139 F144 G145 I146T138-L142 HydrophobicContact CG2-CD1 4.11Å; T138-L142 HydrophobicContact CG2-CG 4.49Å; T138-L142 WeakPolarHBondContact O-CB 3.44Å; T138-L142 VanDerWaalsContact O-CG 3.3Å; T138-L142 WeakPolarHBondContact O-CG 3.32Å; T138-L142 PolarHBondContact O-N 2.87Å; I139-L142 PolarHBondContact O-N 3.3Å; L142-F144 PolarHBondContact O-N 2.9Å; L142-G145 PolarHBondContact O-N 3.44Å; L142-I146 WeakPolarHBondContact O-CB 3.31Å; L142-I146 WeakPolarHBondContact O-CD1 3.5Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 2.79Å
143V95.3Very high92.4Very high48 Ų4850.5 Ų50.529%0.29127%0.267SS..Hα-helixtrans-61.9-45.7-179173.70000110.5W87 V91 I139 S147W87-V143 HydrophobicContact CB-CG1 4.42Å; V91-V143 HydrophobicContact CG2-CB 3.98Å; V91-V143 HydrophobicContact CG2-CG1 3.63Å; I139-V143 HydrophobicContact CG2-CG2 4.13Å; I139-V143 WeakPolarHBondContact O-CB 3.43Å; I139-V143 VanDerWaalsContact O-CG2 3.3Å; I139-V143 WeakPolarHBondContact O-CG2 3.25Å; I139-V143 PolarHBondContact O-N 3.21Å; V143-S147 WeakPolarHBondContact O-CB 3.39Å; V143-S147 PolarHBondContact O-N 3.49Å; V143-S147 PolarHBondContact O-OG 3.48Å
144F93.7Very high91.7Very high4 Ų451 Ų512%0.01827%0.269CS..Hα-helixtrans-67.4-43.3177.9-170-87.3000111.6W28 W87 L88 V91 C140 L142 I146 S148 L162 F166W28-F144 HydrophobicContact CB-CE1 4.36Å; W28-F144 HydrophobicContact CB-CZ 3.93Å; W28-F144 AromaticContact CE3-CD1 3.91Å; W28-F144 HydrophobicContact CE3-CD1 3.91Å; W28-F144 AromaticContact CE3-CD2 3.98Å; W28-F144 HydrophobicContact CE3-CD2 3.98Å; W28-F144 AromaticContact CE3-CE1 3.81Å; W28-F144 HydrophobicContact CE3-CE1 3.81Å; W28-F144 AromaticContact CE3-CE2 3.9Å; W28-F144 HydrophobicContact CE3-CE2 3.9Å; W28-F144 AromaticContact CE3-CG 4Å; W28-F144 HydrophobicContact CE3-CG 4Å; W28-F144 AromaticContact CE3-CZ 3.81Å; W28-F144 HydrophobicContact CE3-CZ 3.81Å; W28-F144 HydrophobicContact CZ3-CB 4.48Å; W28-F144 HydrophobicContact CZ3-CD1 4.25Å; W28-F144 HydrophobicContact CZ3-CD2 4.19Å; W28-F144 HydrophobicContact CZ3-CG 4.04Å; W87-F144 HydrophobicContact CH2-CD2 4.42Å; W87-F144 HydrophobicContact CH2-CE2 4.46Å; W87-F144 AromaticContact CZ3-CD2 3.83Å; W87-F144 HydrophobicContact CZ3-CD2 3.83Å; W87-F144 HydrophobicContact CZ3-CE2 4.27Å; L88-F144 HydrophobicContact CD1-CD2 4.05Å; L88-F144 HydrophobicContact CD1-CE2 3.9Å; V91-F144 HydrophobicContact CG2-CB 4.44Å; C140-F144 WeakPolarHBondContact O-CB 3.17Å; C140-F144 PolarHBondContact O-N 3.03Å; L142-F144 PolarHBondContact O-N 2.9Å; F144-I146 PolarHBondContact O-N 3.13Å; F144-S148 WeakPolarHBondContact O-CB 3.27Å; F144-S148 PolarHBondContact O-N 2.76Å; F144-S148 PolarHBondContact O-OG 3.36Å; F144-L162 HydrophobicContact CD1-CD2 4.46Å; F144-L162 HydrophobicContact CE1-CD2 4.48Å; F144-F166 HydrophobicContact CB-CE2 4.28Å; F144-F166 AromaticContact CD1-CD2 3.69Å; F144-F166 HydrophobicContact CD1-CD2 3.69Å; F144-F166 AromaticContact CD1-CE2 3.55Å; F144-F166 HydrophobicContact CD1-CE2 3.55Å; F144-F166 HydrophobicContact CE1-CD2 4.08Å; F144-F166 HydrophobicContact CE1-CE2 4.37Å; F144-F166 HydrophobicContact CG-CE2 4.29Å
145G92.4Very high90.8Very high15 Ų1555.5 Ų55.516%0.15530%0.299CS..Hα-helixtrans-64.7-36.6-178.700000114I141 L142 S148 Q149I141-G145 WeakPolarHBondContact O-CA 3.46Å; I141-G145 PolarHBondContact O-N 3.44Å; L142-G145 PolarHBondContact O-N 3.44Å; G145-S148 PolarHBondContact O-OG 3.22Å; G145-Q149 PolarHBondContact O-NE2 3.15Å
146I92.3Very high90Very high123 Ų12359.1 Ų59.163%0.63131%0.307SS*.Hα-helixtrans-79.5-47.4177.3-62.2164.8000110.4L142 F144 S148 Q149L142-I146 WeakPolarHBondContact O-CB 3.31Å; L142-I146 WeakPolarHBondContact O-CD1 3.5Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 2.79Å; F144-I146 PolarHBondContact O-N 3.13Å; I146-S148 PolarHBondContact O-N 2.98Å; I146-Q149 PolarHBondContact O-N 2.94Å
147S90.9Very high89.4Confident27 Ų2759.1 Ų59.119%0.18931%0.308CS..Hα-helixtrans-74.5-28.3-172.2-50.40000113W87 V143 Q149 S150W87-S147 VanDerWaalsContact CE3-CB 3.48Å; V143-S147 WeakPolarHBondContact O-CB 3.39Å; V143-S147 PolarHBondContact O-N 3.49Å; V143-S147 PolarHBondContact O-OG 3.48Å; S147-Q149 PolarHBondContact O-N 3.4Å; S147-S150 WeakPolarHBondContact O-CB 3.31Å; S147-S150 PolarHBondContact O-N 2.97Å; S147-S150 VanDerWaalsContact O-N 3.15Å
148S87.6Confident88.8Confident9 Ų964.4 Ų64.46%0.06334%0.336CS..THydrogen-bonded Turntrans-63.9-23.4177.156.90000113.7F144 G145 I146 S150F144-S148 WeakPolarHBondContact O-CB 3.27Å; F144-S148 PolarHBondContact O-N 2.76Å; F144-S148 PolarHBondContact O-OG 3.36Å; G145-S148 PolarHBondContact O-OG 3.22Å; I146-S148 PolarHBondContact O-N 2.98Å; S148-S150 VanDerWaalsContact C-N 3.34Å
149Q85.8Confident88.3Confident137 Ų13763.8 Ų63.864%0.6433%0.33SS*.THydrogen-bonded Turntrans-87.2-3.7178.4-66.4179.866.900113.4G145 I146 S147 R151G145-Q149 PolarHBondContact O-NE2 3.15Å; I146-Q149 PolarHBondContact O-N 2.94Å; S147-Q149 PolarHBondContact O-N 3.4Å; Q149-R151 PolarHBondContact O-N 3.07Å
150S85.9Confident87.9Confident46 Ų4661.9 Ų61.932%0.32232%0.318SS..  trans-71.6125.9-178-176.90000111.9S147 S148 V152 W153S147-S150 WeakPolarHBondContact O-CB 3.31Å; S147-S150 PolarHBondContact O-N 2.97Å; S147-S150 VanDerWaalsContact O-N 3.15Å; S148-S150 VanDerWaalsContact C-N 3.34Å; S150-V152 PolarHBondContact O-N 2.66Å; S150-V152 VanDerWaalsContact O-N 3.16Å; S150-V152 PolarHBondContact OG-N 3.23Å; S150-W153 PolarHBondContact O-N 3.12Å
151R85.5Confident87.7Confident151 Ų15164.8 Ų64.857%0.5733%0.331SS*.THydrogen-bonded Turntrans-63.9-16174.6-65.6-176-171.6-80.7-7.6113.3Q149 M154 P157 D158Q149-R151 PolarHBondContact O-N 3.07Å; R151-M154 WeakPolarHBondContact CA-O 3.45Å; R151-M154 CarbonylContact O-C 3.49Å; R151-P157 HydrophobicContact CG-CG 3.72Å; R151-D158 IonicContact CZ-OD2 3.85Å; R151-D158 IonicContact NH1-OD2 3.08Å; R151-D158 PolarHBondContact NH1-OD2 3.28Å; R151-D158 VanDerWaalsContact NH1-OD2 3.08Å; R151-D158 IonicContact NH2-OD1 3.63Å; R151-D158 IonicContact NH2-OD2 3.64Å
152V84.7Confident87.5Confident131 Ų13166.6 Ų66.679%0.79434%0.341SS*.THydrogen-bonded Turntrans-70.7-41.3-177.7179.60000111.5S150S150-V152 PolarHBondContact O-N 2.66Å; S150-V152 VanDerWaalsContact O-N 3.16Å; S150-V152 PolarHBondContact OG-N 3.23Å
153W83.1Confident87.4Confident17 Ų1762.3 Ų62.36%0.06432%0.319CS..THydrogen-bonded Turntrans-78.9-46.8-179.6178.347.4000110.7L29 M42 W82 L83 P85 W87 S150L29-W153 HydrophobicContact CD2-CH2 4.35Å; L29-W153 HydrophobicContact CD2-CZ3 4.07Å; M42-W153 HydrophobicContact CE-CH2 4.18Å; M42-W153 HydrophobicContact CE-CZ2 3.97Å; M42-W153 HydrophobicContact SD-CH2 3.57Å; M42-W153 VanDerWaalsContact SD-CH2 3.57Å; M42-W153 HydrophobicContact SD-CZ2 3.71Å; W82-W153 PolarHBondContact NE1-O 2.79Å; W82-W153 PolarHBondContact O-NE1 2.82Å; L83-W153 PolarHBondContact O-NE1 3.49Å; P85-W153 HydrophobicContact CG-CD2 4.35Å; P85-W153 HydrophobicContact CG-CG 4.09Å; W87-W153 HydrophobicContact CH2-CE3 4.12Å; W87-W153 HydrophobicContact CH2-CH2 4.3Å; W87-W153 AromaticContact CH2-CZ3 3.94Å; W87-W153 HydrophobicContact CH2-CZ3 3.94Å; W87-W153 AromaticContact CZ2-CD2 3.82Å; W87-W153 HydrophobicContact CZ2-CD2 3.82Å; W87-W153 AromaticContact CZ2-CE3 3.61Å; W87-W153 HydrophobicContact CZ2-CE3 3.61Å; W87-W153 HydrophobicContact CZ2-CG 4.36Å; W87-W153 HydrophobicContact CZ2-CH2 4.38Å; W87-W153 AromaticContact CZ2-CZ3 3.91Å; W87-W153 HydrophobicContact CZ2-CZ3 3.91Å; S150-W153 PolarHBondContact O-N 3.12Å
154M80.1Confident87.3Confident10 Ų1065.6 Ų65.65%0.04933%0.326CS..SBendtrans-125.1112.4-178.3-154.5162.4-133.900109.8L29 F39 R151 R156 P157 Y160L29-M154 HydrophobicContact CD2-SD 4.43Å; F39-M154 HydrophobicContact CB-CE 3.9Å; F39-M154 HydrophobicContact CD1-CE 3.72Å; F39-M154 HydrophobicContact CD2-CE 3.65Å; F39-M154 HydrophobicContact CE1-CE 3.93Å; F39-M154 HydrophobicContact CE2-CE 3.88Å; F39-M154 HydrophobicContact CG-CE 3.5Å; F39-M154 VanDerWaalsContact CG-CE 3.5Å; F39-M154 HydrophobicContact CZ-CE 3.94Å; R151-M154 WeakPolarHBondContact CA-O 3.45Å; R151-M154 CarbonylContact O-C 3.49Å; M154-R156 PolarHBondContact O-N 3.23Å; M154-P157 WeakPolarHBondContact O-CD 3.08Å; M154-Y160 HydrophobicContact CE-CD2 4.47Å; M154-Y160 HydrophobicContact CE-CE1 3.91Å; M154-Y160 HydrophobicContact CE-CE2 3.81Å; M154-Y160 VanDerWaalsContact CE-CZ 3.47Å; M154-Y160 HydrophobicContact CG-CD2 4.16Å; M154-Y160 HydrophobicContact CG-CE2 3.52Å; M154-Y160 HydrophobicContact SD-CD1 4.25Å; M154-Y160 HydrophobicContact SD-CD2 3.34Å; M154-Y160 WeakPolarHBondContact SD-CD2 3.38Å; M154-Y160 HydrophobicContact SD-CE1 4.01Å; M154-Y160 HydrophobicContact SD-CE2 3.04Å; M154-Y160 WeakPolarHBondContact SD-CE2 3.49Å; M154-Y160 HydrophobicContact SD-CG 3.95Å
155P76.9Confident87.3Confident95 Ų9565.4 Ų65.462%0.61733%0.325SS*.SBendtrans-58.1-21.2-171.7-28.835000115.3
156R81.6Confident87.4Confident161 Ų16165.7 Ų65.761%0.60832%0.323SS*.  trans-129.172-179-63-173.3-178.4171.41.1111.2M154 D158 Q159 Y160M154-R156 PolarHBondContact O-N 3.23Å; R156-D158 PolarHBondContact O-N 3.33Å; R156-D158 VanDerWaalsContact O-N 3.17Å; R156-Q159 HydrophobicContact CB-CG 4.05Å; R156-Q159 PolarHBondContact O-N 2.96Å; R156-Y160 VanDerWaalsContact O-CD2 3.31Å; R156-Y160 WeakPolarHBondContact O-CD2 3.43Å; R156-Y160 WeakPolarHBondContact O-CE2 3.14Å
157P82.9Confident87.5Confident19 Ų1961.6 Ų61.612%0.12331%0.31CS..G310 helixtrans-62.1-25.1-179.228.8-35.7000112.2R151 M154 Q159 Y160R151-P157 HydrophobicContact CG-CG 3.72Å; M154-P157 WeakPolarHBondContact O-CD 3.08Å; P157-Q159 PolarHBondContact O-N 3.46Å; P157-Y160 PolarHBondContact O-N 2.93Å; P157-Y160 VanDerWaalsContact O-N 3.1Å
158D84.8Confident87.7Confident111 Ų11163.1 Ų63.159%0.59431%0.314SS*.G310 helixtrans-62.9-12.4-178.4-47.8-48.6000113.5R151 R156R151-D158 IonicContact CZ-OD2 3.85Å; R151-D158 IonicContact NH1-OD2 3.08Å; R151-D158 PolarHBondContact NH1-OD2 3.28Å; R151-D158 VanDerWaalsContact NH1-OD2 3.08Å; R151-D158 IonicContact NH2-OD1 3.63Å; R151-D158 IonicContact NH2-OD2 3.64Å; R156-D158 PolarHBondContact O-N 3.33Å; R156-D158 VanDerWaalsContact O-N 3.17Å
159Q86.2Confident88.1Confident37 Ų3762.7 Ų62.717%0.17331%0.311CS..G310 helixtrans-92.3-4.1179.8-59.8-174.8-25.700113.6S31 Y32 V35 R156 P157S31-Q159 WeakPolarHBondContact CA-O 3.22Å; Y32-Q159 VanDerWaalsContact CD2-O 3.32Å; Y32-Q159 WeakPolarHBondContact CD2-O 3.36Å; Y32-Q159 PolarHBondContact N-O 2.83Å; Y32-Q159 VanDerWaalsContact N-O 3.11Å; V35-Q159 HydrophobicContact CG1-CB 4.3Å; V35-Q159 HydrophobicContact CG1-CG 3.94Å; R156-Q159 HydrophobicContact CB-CG 4.05Å; R156-Q159 PolarHBondContact O-N 2.96Å; P157-Q159 PolarHBondContact O-N 3.46Å
160Y89.1Confident88.6Confident32 Ų3259.2 Ų59.213%0.12530%0.296CS..EExtended strand (participates in β ladder)trans-123.5150.9-173.4-49.5-76.8000111.3Q30 S37 F39 M154 R156 P157Q30-Y160 CarbonylContact O-C 3.58Å; Q30-Y160 WeakPolarHBondContact O-CA 3.29Å; S37-Y160 PolarHBondContact OG-OH 3.04Å; F39-Y160 HydrophobicContact CB-CE1 3.94Å; F39-Y160 AromaticContact CD1-CD1 3.75Å; F39-Y160 HydrophobicContact CD1-CD1 3.75Å; F39-Y160 AromaticContact CD1-CE1 3.37Å; F39-Y160 HydrophobicContact CD1-CE1 3.37Å; F39-Y160 HydrophobicContact CE1-CD1 4.1Å; F39-Y160 HydrophobicContact CE1-CE1 4.13Å; F39-Y160 HydrophobicContact CG-CE1 4.02Å; M154-Y160 HydrophobicContact CE-CD2 4.47Å; M154-Y160 HydrophobicContact CE-CE1 3.91Å; M154-Y160 HydrophobicContact CE-CE2 3.81Å; M154-Y160 VanDerWaalsContact CE-CZ 3.47Å; M154-Y160 HydrophobicContact CG-CD2 4.16Å; M154-Y160 HydrophobicContact CG-CE2 3.52Å; M154-Y160 HydrophobicContact SD-CD1 4.25Å; M154-Y160 HydrophobicContact SD-CD2 3.34Å; M154-Y160 WeakPolarHBondContact SD-CD2 3.38Å; M154-Y160 HydrophobicContact SD-CE1 4.01Å; M154-Y160 HydrophobicContact SD-CE2 3.04Å; M154-Y160 WeakPolarHBondContact SD-CE2 3.49Å; M154-Y160 HydrophobicContact SD-CG 3.95Å; R156-Y160 VanDerWaalsContact O-CD2 3.31Å; R156-Y160 WeakPolarHBondContact O-CD2 3.43Å; R156-Y160 WeakPolarHBondContact O-CE2 3.14Å; P157-Y160 PolarHBondContact O-N 2.93Å; P157-Y160 VanDerWaalsContact O-N 3.1Å
161F91.4Very high89.1Confident60 Ų6060.1 Ų60.126%0.26330%0.297SS..EExtended strand (participates in β ladder)trans-133.1154.317366.2-87.1000109.9Q30 Y32 S163Q30-F161 HydrophobicContact CB-CE1 4.01Å; Q30-F161 HydrophobicContact CB-CE2 4.05Å; Q30-F161 HydrophobicContact CB-CZ 3.72Å; Q30-F161 HydrophobicContact CG-CE1 3.93Å; Q30-F161 HydrophobicContact CG-CE2 4.43Å; Q30-F161 HydrophobicContact CG-CZ 3.65Å; Q30-F161 PolarHBondContact N-O 3.35Å; Q30-F161 VanDerWaalsContact O-CD1 3.28Å; Q30-F161 WeakPolarHBondContact O-CD1 3.3Å; Q30-F161 PolarHBondContact O-N 3.46Å; Y32-F161 AromaticContact CD1-CD1 3.79Å; Y32-F161 HydrophobicContact CD1-CD1 3.79Å; Y32-F161 HydrophobicContact CD1-CE1 4.07Å; Y32-F161 HydrophobicContact CD2-CD1 4.2Å; Y32-F161 HydrophobicContact CE1-CB 4.44Å; Y32-F161 AromaticContact CE1-CD1 3.71Å; Y32-F161 HydrophobicContact CE1-CD1 3.71Å; Y32-F161 HydrophobicContact CE1-CE1 4.33Å; Y32-F161 HydrophobicContact CE1-CG 4.29Å; Y32-F161 HydrophobicContact CE2-CB 4.28Å; Y32-F161 HydrophobicContact CE2-CD1 4.11Å; Y32-F161 HydrophobicContact CG-CD1 4.04Å; Y32-F161 HydrophobicContact CG-CE1 4.4Å; Y32-F161 AromaticContact CZ-CD1 3.88Å; F161-S163 PolarHBondContact O-N 3.37Å
162L92.1Very high89.7Confident65 Ų6552.9 Ų52.934%0.3427%0.269SS..EExtended strand (participates in β ladder)trans-76.1120.3175-76.671.9000107.8W28 L29 F144 F166W28-L162 WeakPolarHBondContact O-CA 3.31Å; L29-L162 HydrophobicContact CD1-CD1 4.2Å; F144-L162 HydrophobicContact CD1-CD2 4.46Å; F144-L162 HydrophobicContact CE1-CD2 4.48Å; L162-F166 HydrophobicContact CB-CB 4.15Å; L162-F166 HydrophobicContact CB-CD1 3.96Å; L162-F166 HydrophobicContact CB-CG 4.15Å; L162-F166 HydrophobicContact CD2-CB 4.46Å; L162-F166 HydrophobicContact CD2-CD1 3.31Å; L162-F166 HydrophobicContact CD2-CD2 3.89Å; L162-F166 HydrophobicContact CD2-CE1 3.25Å; L162-F166 HydrophobicContact CD2-CE2 3.86Å; L162-F166 HydrophobicContact CD2-CG 3.61Å; L162-F166 HydrophobicContact CD2-CZ 3.54Å; L162-F166 HydrophobicContact CG-CD1 4.2Å; L162-F166 HydrophobicContact CG-CG 4.28Å
163S92.9Very high90.2Very high10 Ų1046.9 Ų46.97%0.0723%0.234CC..  trans-90.7-175.6-172.3-171.70000111.4Y27 W28 Q30 F161 S165 F166Y27-S163 CarbonylContact O-C 3.51Å; Y27-S163 VanDerWaalsContact O-CB 3.25Å; Y27-S163 WeakPolarHBondContact O-CB 3.42Å; W28-S163 PolarHBondContact O-N 3.45Å; Q30-S163 PolarHBondContact OE1-OG 2.9Å; F161-S163 PolarHBondContact O-N 3.37Å; S163-S165 PolarHBondContact O-N 3.46Å; S163-S165 VanDerWaalsContact O-N 3.15Å; S163-F166 WeakPolarHBondContact O-CB 3.09Å; S163-F166 PolarHBondContact O-N 2.98Å
164W92.8Very high90.8Very high117 Ų11750.2 Ų50.244%0.44325%0.252SS..Hα-helixtrans-58.6-31.6-167.157.6-91.7000113.9S25 Y27 F166 G167 F168S25-W164 VanDerWaalsContact CB-CH2 3.5Å; S25-W164 WeakPolarHBondContact OG-CH2 3.18Å; S25-W164 WeakPolarHBondContact OG-CZ2 3.34Å; Y27-W164 VanDerWaalsContact CB-NE1 3.25Å; Y27-W164 AromaticContact CD1-NE1 3.93Å; Y27-W164 AromaticContact CD2-CE2 3.68Å; Y27-W164 AromaticContact CD2-CZ2 3.41Å; Y27-W164 HydrophobicContact CD2-CZ2 3.41Å; Y27-W164 VanDerWaalsContact CD2-CZ2 3.41Å; Y27-W164 AromaticContact CD2-NE1 3.53Å; Y27-W164 HydrophobicContact CE2-CZ2 4.11Å; Y27-W164 AromaticContact CG-CE2 3.83Å; Y27-W164 HydrophobicContact CG-CZ2 4.06Å; Y27-W164 AromaticContact CG-NE1 3.3Å; Y27-W164 VanDerWaalsContact CG-NE1 3.3Å; W164-F166 VanDerWaalsContact C-N 3.28Å; W164-F166 PolarHBondContact O-N 3.32Å; W164-G167 WeakPolarHBondContact O-CA 3.41Å; W164-G167 PolarHBondContact O-N 3.27Å; W164-F168 HydrophobicContact CD2-CE2 4.37Å; W164-F168 AromaticContact CE3-CD2 3.38Å; W164-F168 HydrophobicContact CE3-CD2 3.38Å; W164-F168 AromaticContact CE3-CE2 3.18Å; W164-F168 HydrophobicContact CE3-CE2 3.18Å; W164-F168 HydrophobicContact CE3-CZ 4.26Å; W164-F168 AromaticContact CZ3-CD2 3.57Å; W164-F168 HydrophobicContact CZ3-CD2 3.57Å; W164-F168 AromaticContact CZ3-CE2 3.39Å; W164-F168 HydrophobicContact CZ3-CE2 3.39Å; W164-F168 PolarHBondContact O-N 3.43Å
165S93.9Very high91.6Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-66.5-32.5179.6-510000112.3S22 S25 Y27 S163 G167 F168 I169S22-S165 WeakPolarHBondContact CB-O 3.19Å; S22-S165 PolarHBondContact OG-O 2.94Å; S25-S165 WeakPolarHBondContact CB-OG 3.23Å; S25-S165 PolarHBondContact OG-OG 3.29Å; Y27-S165 WeakPolarHBondContact O-CB 3.43Å; Y27-S165 PolarHBondContact O-N 2.71Å; Y27-S165 PolarHBondContact O-OG 3.49Å; Y27-S165 VanDerWaalsContact O-OG 3.12Å; S163-S165 PolarHBondContact O-N 3.46Å; S163-S165 VanDerWaalsContact O-N 3.15Å; S165-G167 VanDerWaalsContact C-N 3.31Å; S165-F168 PolarHBondContact O-N 3.42Å; S165-I169 PolarHBondContact O-N 3.43Å
166F94.4Very high92.4Very high22 Ų2246 Ų4610%0.09623%0.225CC..Hα-helixtrans-66.8-36.7172.9-172.7-100.6000111.3W28 I141 F144 L162 S163 W164 F168 I169 I170W28-F166 AromaticContact CE3-CD2 3.95Å; W28-F166 HydrophobicContact CE3-CD2 3.95Å; W28-F166 HydrophobicContact CZ3-CD2 4.02Å; W28-F166 HydrophobicContact CZ3-CE2 4.49Å; I141-F166 HydrophobicContact CG2-CE2 4.4Å; I141-F166 HydrophobicContact CG2-CZ 3.83Å; F144-F166 HydrophobicContact CB-CE2 4.28Å; F144-F166 AromaticContact CD1-CD2 3.69Å; F144-F166 HydrophobicContact CD1-CD2 3.69Å; F144-F166 AromaticContact CD1-CE2 3.55Å; F144-F166 HydrophobicContact CD1-CE2 3.55Å; F144-F166 HydrophobicContact CE1-CD2 4.08Å; F144-F166 HydrophobicContact CE1-CE2 4.37Å; F144-F166 HydrophobicContact CG-CE2 4.29Å; L162-F166 HydrophobicContact CB-CB 4.15Å; L162-F166 HydrophobicContact CB-CD1 3.96Å; L162-F166 HydrophobicContact CB-CG 4.15Å; L162-F166 HydrophobicContact CD2-CB 4.46Å; L162-F166 HydrophobicContact CD2-CD1 3.31Å; L162-F166 HydrophobicContact CD2-CD2 3.89Å; L162-F166 HydrophobicContact CD2-CE1 3.25Å; L162-F166 HydrophobicContact CD2-CE2 3.86Å; L162-F166 HydrophobicContact CD2-CG 3.61Å; L162-F166 HydrophobicContact CD2-CZ 3.54Å; L162-F166 HydrophobicContact CG-CD1 4.2Å; L162-F166 HydrophobicContact CG-CG 4.28Å; S163-F166 WeakPolarHBondContact O-CB 3.09Å; S163-F166 PolarHBondContact O-N 2.98Å; W164-F166 VanDerWaalsContact C-N 3.28Å; W164-F166 PolarHBondContact O-N 3.32Å; F166-F168 VanDerWaalsContact C-N 3.31Å; F166-F168 PolarHBondContact O-N 2.85Å; F166-I169 HydrophobicContact CD2-CG2 4.21Å; F166-I169 WeakPolarHBondContact O-CG2 3.45Å; F166-I169 PolarHBondContact O-N 3.34Å; F166-I170 HydrophobicContact CD1-CD1 3.81Å; F166-I170 HydrophobicContact CE1-CD1 3.55Å; F166-I170 HydrophobicContact CE1-CG1 4.32Å; F166-I170 HydrophobicContact CZ-CD1 4.34Å; F166-I170 WeakPolarHBondContact O-CG1 3.34Å; F166-I170 PolarHBondContact O-N 3.46Å
167G94.9Very high93.1Very high36 Ų3642.8 Ų42.837%0.37122%0.216SC..Hα-helixtrans-61.1-39.3171.300000112.6W164 S165 I170 L171W164-G167 WeakPolarHBondContact O-CA 3.41Å; W164-G167 PolarHBondContact O-N 3.27Å; S165-G167 VanDerWaalsContact C-N 3.31Å; G167-I170 PolarHBondContact O-N 2.96Å; G167-L171 PolarHBondContact O-N 3.41Å
168F96.3Very high93.7Very high59 Ų5945.8 Ų45.826%0.25923%0.23SC..Hα-helixtrans-69.1-33.5179.3-72.4-32.1000114.4F18 L21 W164 S165 F166 I170 L171 A172F18-F168 HydrophobicContact CB-CB 4.37Å; F18-F168 AromaticContact CD1-CD1 3.93Å; F18-F168 HydrophobicContact CD1-CD1 3.93Å; F18-F168 HydrophobicContact CD1-CE1 4.18Å; F18-F168 HydrophobicContact CE1-CE1 4.39Å; L21-F168 HydrophobicContact CB-CD2 4.12Å; L21-F168 HydrophobicContact CD1-CE2 4.36Å; W164-F168 HydrophobicContact CD2-CE2 4.37Å; W164-F168 AromaticContact CE3-CD2 3.38Å; W164-F168 HydrophobicContact CE3-CD2 3.38Å; W164-F168 AromaticContact CE3-CE2 3.18Å; W164-F168 HydrophobicContact CE3-CE2 3.18Å; W164-F168 HydrophobicContact CE3-CZ 4.26Å; W164-F168 AromaticContact CZ3-CD2 3.57Å; W164-F168 HydrophobicContact CZ3-CD2 3.57Å; W164-F168 AromaticContact CZ3-CE2 3.39Å; W164-F168 HydrophobicContact CZ3-CE2 3.39Å; W164-F168 PolarHBondContact O-N 3.43Å; S165-F168 PolarHBondContact O-N 3.42Å; F166-F168 VanDerWaalsContact C-N 3.31Å; F166-F168 PolarHBondContact O-N 2.85Å; F168-I170 VanDerWaalsContact C-N 3.34Å; F168-L171 PolarHBondContact O-N 2.98Å; F168-A172 WeakPolarHBondContact O-CB 3.04Å; F168-A172 PolarHBondContact O-N 3.4Å
169I95.5Very high94Very high0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-67.9-36.8173.1-174.8169.3000111.5S22 W28 I95 L137 C140 I141 S165 F166 A172 A173S22-I169 WeakPolarHBondContact OG-CB 3.16Å; W28-I169 HydrophobicContact CH2-CB 4.27Å; W28-I169 HydrophobicContact CH2-CD1 3.49Å; W28-I169 VanDerWaalsContact CH2-CD1 3.49Å; W28-I169 HydrophobicContact CH2-CG1 4.47Å; W28-I169 HydrophobicContact CH2-CG2 3.86Å; W28-I169 HydrophobicContact CZ2-CB 4.38Å; W28-I169 HydrophobicContact CZ2-CD1 4.11Å; W28-I169 HydrophobicContact CZ2-CG2 4.21Å; W28-I169 HydrophobicContact CZ3-CD1 4.47Å; W28-I169 HydrophobicContact CZ3-CG2 4.31Å; I95-I169 HydrophobicContact CD1-CD1 3.91Å; I95-I169 HydrophobicContact CG1-CD1 4.48Å; L137-I169 HydrophobicContact CD2-CD1 3.96Å; L137-I169 HydrophobicContact CD2-CG1 4.13Å; C140-I169 HydrophobicContact CB-CD1 4.36Å; I141-I169 HydrophobicContact CD1-CG1 4.18Å; I141-I169 HydrophobicContact CG1-CD1 4.25Å; I141-I169 HydrophobicContact CG1-CG1 4.02Å; I141-I169 HydrophobicContact CG1-CG2 4.04Å; S165-I169 PolarHBondContact O-N 3.43Å; F166-I169 HydrophobicContact CD2-CG2 4.21Å; F166-I169 WeakPolarHBondContact O-CG2 3.45Å; F166-I169 PolarHBondContact O-N 3.34Å; I169-A172 PolarHBondContact O-N 2.68Å; I169-A173 PolarHBondContact O-N 3.11Å
170I96.5Very high94.4Very high64 Ų6439.4 Ų39.433%0.32820%0.198SC..Hα-helixtrans-61.5-47.2173.5-64.4166.7000110.1I141 F166 G167 F168 A172 A173 I174I141-I170 HydrophobicContact CD1-CB 4.44Å; I141-I170 HydrophobicContact CD1-CG1 3.99Å; I141-I170 HydrophobicContact CG1-CG1 4.21Å; I141-I170 HydrophobicContact CG2-CD1 4.47Å; I141-I170 HydrophobicContact CG2-CG1 3.93Å; F166-I170 HydrophobicContact CD1-CD1 3.81Å; F166-I170 HydrophobicContact CE1-CD1 3.55Å; F166-I170 HydrophobicContact CE1-CG1 4.32Å; F166-I170 HydrophobicContact CZ-CD1 4.34Å; F166-I170 WeakPolarHBondContact O-CG1 3.34Å; F166-I170 PolarHBondContact O-N 3.46Å; G167-I170 PolarHBondContact O-N 2.96Å; F168-I170 VanDerWaalsContact C-N 3.34Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 3.45Å; I170-A173 PolarHBondContact O-N 2.92Å; I170-I174 HydrophobicContact CG2-CD1 3.97Å; I170-I174 WeakPolarHBondContact O-CG1 3.08Å; I170-I174 PolarHBondContact O-N 3.15Å
171L96.3Very high94.5Very high65 Ų6539.6 Ų39.634%0.3421%0.21SC..Hα-helixtrans-62.3-40.2178.1-172.358.1000111.6F18 G167 F168 A173 I174 C175F18-L171 HydrophobicContact CD1-CD2 4.12Å; F18-L171 HydrophobicContact CD2-CB 4.35Å; F18-L171 HydrophobicContact CD2-CD2 3.53Å; F18-L171 HydrophobicContact CD2-CG 3.61Å; F18-L171 HydrophobicContact CE1-CD2 3.96Å; F18-L171 HydrophobicContact CE2-CD2 3.33Å; F18-L171 HydrophobicContact CE2-CG 3.73Å; F18-L171 HydrophobicContact CG-CD2 3.94Å; F18-L171 HydrophobicContact CG-CG 4.24Å; F18-L171 HydrophobicContact CZ-CD2 3.56Å; F18-L171 HydrophobicContact CZ-CG 4.45Å; G167-L171 PolarHBondContact O-N 3.41Å; F168-L171 PolarHBondContact O-N 2.98Å; L171-A173 PolarHBondContact O-N 2.74Å; L171-I174 PolarHBondContact O-N 3.25Å; L171-C175 WeakPolarHBondContact O-CB 3.34Å; L171-C175 PolarHBondContact O-N 2.97Å; L171-C175 PolarHBondContact O-SG 3.4Å
172A96.4Very high94.5Very high0 Ų040.9 Ų40.90%022%0.215CC..Hα-helixtrans-62.3-39.9174.700000113G15 F18 F19 L137 F168 I169 I170 C175 S176G15-A172 WeakPolarHBondContact O-CB 3.31Å; F18-A172 HydrophobicContact CB-CB 4.14Å; F19-A172 HydrophobicContact CB-CB 3.82Å; L137-A172 HydrophobicContact CD1-CB 4.4Å; F168-A172 WeakPolarHBondContact O-CB 3.04Å; F168-A172 PolarHBondContact O-N 3.4Å; I169-A172 PolarHBondContact O-N 2.68Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 3.45Å; A172-C175 PolarHBondContact O-N 2.94Å; A172-S176 WeakPolarHBondContact O-CB 3.26Å; A172-S176 PolarHBondContact O-N 3.35Å; A172-S176 PolarHBondContact O-OG 2.9Å
173A96.2Very high94.4Very high5 Ų538 Ų384%0.04120%0.2CC..Hα-helixtrans-63.7-46.6175.200000111.2L137 I141 I169 I170 L171 C175 S176 F177L137-A173 HydrophobicContact CB-CB 3.99Å; L137-A173 HydrophobicContact CD1-CB 4.39Å; I141-A173 HydrophobicContact CD1-CB 3.82Å; I169-A173 PolarHBondContact O-N 3.11Å; I170-A173 PolarHBondContact O-N 2.92Å; L171-A173 PolarHBondContact O-N 2.74Å; A173-C175 PolarHBondContact O-N 2.91Å; A173-S176 PolarHBondContact O-N 3.1Å; A173-S176 VanDerWaalsContact O-N 3.15Å; A173-F177 WeakPolarHBondContact O-CD2 3.29Å; A173-F177 PolarHBondContact O-N 3.01Å
174I96.6Very high94.3Very high87 Ų8744.4 Ų44.445%0.44622%0.224SC..Hα-helixtrans-60.6-46.6176.3-65.7168.2000110.8I170 L171 S176 F177 I178I170-I174 HydrophobicContact CG2-CD1 3.97Å; I170-I174 WeakPolarHBondContact O-CG1 3.08Å; I170-I174 PolarHBondContact O-N 3.15Å; L171-I174 PolarHBondContact O-N 3.25Å; I174-S176 VanDerWaalsContact C-N 3.26Å; I174-S176 PolarHBondContact O-N 2.91Å; I174-F177 PolarHBondContact O-N 2.85Å; I174-I178 HydrophobicContact CG2-CD1 3.75Å; I174-I178 HydrophobicContact CG2-CG1 4.36Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 2.85Å
175C95.1Very high94.1Very high15 Ų1542.3 Ų42.310%0.10123%0.226CC..Hα-helixtrans-59.7-36.3175.9-72.50000112.4L171 A172 A173 I178 S179L171-C175 WeakPolarHBondContact O-CB 3.34Å; L171-C175 PolarHBondContact O-N 2.97Å; L171-C175 PolarHBondContact O-SG 3.4Å; A172-C175 PolarHBondContact O-N 2.94Å; A173-C175 PolarHBondContact O-N 2.91Å; C175-I178 PolarHBondContact O-N 3.22Å; C175-S179 WeakPolarHBondContact O-CB 3.41Å; C175-S179 PolarHBondContact O-N 3.15Å
176S95Very high93.8Very high1 Ų143.6 Ų43.61%0.00723%0.233CC..Hα-helixtrans-68.5-40.3177.5-54.90000111.6A172 A173 I174 S179 S180A172-S176 WeakPolarHBondContact O-CB 3.26Å; A172-S176 PolarHBondContact O-N 3.35Å; A172-S176 PolarHBondContact O-OG 2.9Å; A173-S176 PolarHBondContact O-N 3.1Å; A173-S176 VanDerWaalsContact O-N 3.15Å; I174-S176 VanDerWaalsContact C-N 3.26Å; I174-S176 PolarHBondContact O-N 2.91Å; S176-S179 PolarHBondContact O-N 3.17Å; S176-S180 VanDerWaalsContact O-CB 3.3Å; S176-S180 WeakPolarHBondContact O-CB 3.49Å; S176-S180 PolarHBondContact O-N 2.84Å
177F95.7Very high93.4Very high94 Ų9443 Ų4341%0.41223%0.231SC..Hα-helixtrans-66.5-38.8172.8-72.5-62.4000112.9T138 A173 I174 S180 G181T138-F177 WeakPolarHBondContact OG1-CE2 3.28Å; A173-F177 WeakPolarHBondContact O-CD2 3.29Å; A173-F177 PolarHBondContact O-N 3.01Å; I174-F177 PolarHBondContact O-N 2.85Å; F177-S180 PolarHBondContact O-N 3.28Å; F177-G181 PolarHBondContact O-N 3.37Å
178I94.9Very high93.1Very high82 Ų8248.7 Ų48.742%0.42124%0.243SC..Hα-helixtrans-64-47175-69169.8000110.5I174 C175 S180 G181 F182I174-I178 HydrophobicContact CG2-CD1 3.75Å; I174-I178 HydrophobicContact CG2-CG1 4.36Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 2.85Å; C175-I178 PolarHBondContact O-N 3.22Å; I178-S180 VanDerWaalsContact C-N 3.33Å; I178-S180 PolarHBondContact O-N 2.81Å; I178-G181 PolarHBondContact O-N 3.08Å; I178-G181 VanDerWaalsContact O-N 3.16Å; I178-F182 HydrophobicContact CG2-CD2 3.77Å; I178-F182 HydrophobicContact CG2-CE2 3.45Å; I178-F182 VanDerWaalsContact CG2-CE2 3.45Å; I178-F182 VanDerWaalsContact O-CD2 3.23Å; I178-F182 WeakPolarHBondContact O-CD2 3.45Å; I178-F182 PolarHBondContact O-N 3.43Å
179S92.9Very high92.6Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-57.4-47.5175.3-177.10000111.2A8 S11 C175 S176 G181 F182 L183A8-S179 PolarHBondContact O-OG 2.84Å; S11-S179 VanDerWaalsContact OG-CA 3.23Å; S11-S179 WeakPolarHBondContact OG-CA 3.49Å; S11-S179 WeakPolarHBondContact OG-CB 3.36Å; C175-S179 WeakPolarHBondContact O-CB 3.41Å; C175-S179 PolarHBondContact O-N 3.15Å; S176-S179 PolarHBondContact O-N 3.17Å; S179-G181 VanDerWaalsContact C-N 3.32Å; S179-G181 PolarHBondContact O-N 2.96Å; S179-F182 PolarHBondContact O-N 3.36Å; S179-L183 WeakPolarHBondContact O-CG 3.39Å; S179-L183 PolarHBondContact O-N 2.8Å
180S92.9Very high92Very high13 Ų1351.1 Ų51.19%0.09126%0.261CS..Hα-helixtrans-58.5-41.7175.3175.30000112.3V131 S176 F177 I178 L183 Y184V131-S180 WeakPolarHBondContact CG2-OG 3.42Å; S176-S180 VanDerWaalsContact O-CB 3.3Å; S176-S180 WeakPolarHBondContact O-CB 3.49Å; S176-S180 PolarHBondContact O-N 2.84Å; F177-S180 PolarHBondContact O-N 3.28Å; I178-S180 VanDerWaalsContact C-N 3.33Å; I178-S180 PolarHBondContact O-N 2.81Å; S180-L183 PolarHBondContact O-N 3.33Å; S180-Y184 VanDerWaalsContact O-CB 3.29Å; S180-Y184 WeakPolarHBondContact O-CB 3.43Å; S180-Y184 PolarHBondContact O-N 3.24Å
181G92.5Very high91.4Very high36 Ų3655.4 Ų55.437%0.37127%0.273SS..Hα-helixtrans-61-44.5175.500000112.8F177 I178 S179 Y184 C185F177-G181 PolarHBondContact O-N 3.37Å; I178-G181 PolarHBondContact O-N 3.08Å; I178-G181 VanDerWaalsContact O-N 3.16Å; S179-G181 VanDerWaalsContact C-N 3.32Å; S179-G181 PolarHBondContact O-N 2.96Å; G181-Y184 WeakPolarHBondContact O-CB 3.28Å; G181-Y184 PolarHBondContact O-N 3.45Å; G181-C185 PolarHBondContact O-N 3.16Å; G181-C185 PolarHBondContact O-SG 2.9Å; G181-C185 VanDerWaalsContact O-SG 3.34Å
182F91.7Very high90.9Very high88 Ų8854.2 Ų54.239%0.38627%0.273SS..Hα-helixtrans-65.8-42.9175.2-74.2-63.1000112.4A8 I178 S179 Y184 C185 I186A8-F182 HydrophobicContact CB-CB 3.82Å; I178-F182 HydrophobicContact CG2-CD2 3.77Å; I178-F182 HydrophobicContact CG2-CE2 3.45Å; I178-F182 VanDerWaalsContact CG2-CE2 3.45Å; I178-F182 VanDerWaalsContact O-CD2 3.23Å; I178-F182 WeakPolarHBondContact O-CD2 3.45Å; I178-F182 PolarHBondContact O-N 3.43Å; S179-F182 PolarHBondContact O-N 3.36Å; F182-Y184 VanDerWaalsContact C-N 3.27Å; F182-Y184 PolarHBondContact O-N 3.15Å; F182-C185 PolarHBondContact O-N 2.95Å; F182-I186 WeakPolarHBondContact O-CD1 3.48Å; F182-I186 VanDerWaalsContact O-CG1 3.31Å; F182-I186 WeakPolarHBondContact O-CG1 3.41Å; F182-I186 PolarHBondContact O-N 3.06Å; F182-I186 VanDerWaalsContact O-N 3.09Å
183L89.2Confident90.3Very high3 Ų355.9 Ų55.92%0.01629%0.287CS..Hα-helixtrans-62-36.6174.4-70.8173.9000111.6A8 A126 L127 E130 S179 S180 I186 S187A8-L183 HydrophobicContact CB-CD2 3.91Å; A8-L183 HydrophobicContact CB-CG 3.97Å; A126-L183 HydrophobicContact CB-CD1 4.13Å; L127-L183 HydrophobicContact CB-CB 4.16Å; L127-L183 HydrophobicContact CD1-CB 4.01Å; E130-L183 HydrophobicContact CG-CD1 4.03Å; S179-L183 WeakPolarHBondContact O-CG 3.39Å; S179-L183 PolarHBondContact O-N 2.8Å; S180-L183 PolarHBondContact O-N 3.33Å; L183-I186 HydrophobicContact CD2-CD1 4.43Å; L183-I186 PolarHBondContact O-N 3.05Å; L183-S187 PolarHBondContact O-N 2.97Å; L183-S187 PolarHBondContact O-OG 2.89Å
184Y90.9Very high89.7Confident146 Ų14659.3 Ų59.357%0.57330%0.302SS*.Hα-helixtrans-64.5-45.2177.5-176.8-101.5000111.4L127 S180 G181 F182 I186 S187 Y188L127-Y184 HydrophobicContact CD1-CD2 4.04Å; L127-Y184 HydrophobicContact CD1-CG 4.3Å; S180-Y184 VanDerWaalsContact O-CB 3.29Å; S180-Y184 WeakPolarHBondContact O-CB 3.43Å; S180-Y184 PolarHBondContact O-N 3.24Å; G181-Y184 WeakPolarHBondContact O-CB 3.28Å; G181-Y184 PolarHBondContact O-N 3.45Å; F182-Y184 VanDerWaalsContact C-N 3.27Å; F182-Y184 PolarHBondContact O-N 3.15Å; Y184-I186 VanDerWaalsContact C-N 3.28Å; Y184-I186 PolarHBondContact O-N 3.46Å; Y184-S187 PolarHBondContact O-N 3.39Å; Y184-Y188 WeakPolarHBondContact O-CB 3.34Å; Y184-Y188 PolarHBondContact O-N 2.98Å
185C89.3Confident89.2Confident72 Ų7260.2 Ų60.249%0.48630%0.304SS..Hα-helixtrans-58.7-41.3173.7-66.70000111.7G181 F182 Y188 T189G181-C185 PolarHBondContact O-N 3.16Å; G181-C185 PolarHBondContact O-SG 2.9Å; G181-C185 VanDerWaalsContact O-SG 3.34Å; F182-C185 PolarHBondContact O-N 2.95Å; C185-Y188 PolarHBondContact O-N 3.16Å; C185-T189 WeakPolarHBondContact O-CG2 3.33Å; C185-T189 PolarHBondContact O-N 3.47Å; C185-T189 PolarHBondContact O-OG1 3.12Å
186I86.7Confident88.7Confident27 Ų2765.1 Ų65.114%0.13833%0.326CS..Hα-helixtrans-65.6-49.8178-65.1161.6000110.8P4 F5 F182 L183 Y184 Y188 T189 D190P4-I186 HydrophobicContact CB-CD1 4.04Å; P4-I186 HydrophobicContact CB-CG1 3.84Å; P4-I186 HydrophobicContact CG-CD1 4.32Å; P4-I186 HydrophobicContact CG-CG1 3.87Å; F5-I186 VanDerWaalsContact CA-CD1 3.49Å; F5-I186 HydrophobicContact CB-CD1 3.97Å; F5-I186 HydrophobicContact CD2-CD1 4.32Å; F182-I186 WeakPolarHBondContact O-CD1 3.48Å; F182-I186 VanDerWaalsContact O-CG1 3.31Å; F182-I186 WeakPolarHBondContact O-CG1 3.41Å; F182-I186 PolarHBondContact O-N 3.06Å; F182-I186 VanDerWaalsContact O-N 3.09Å; L183-I186 HydrophobicContact CD2-CD1 4.43Å; L183-I186 PolarHBondContact O-N 3.05Å; Y184-I186 VanDerWaalsContact C-N 3.28Å; Y184-I186 PolarHBondContact O-N 3.46Å; I186-Y188 VanDerWaalsContact C-N 3.25Å; I186-Y188 PolarHBondContact O-N 3.48Å; I186-T189 WeakPolarHBondContact CA-OG1 3.3Å; I186-T189 PolarHBondContact O-N 3.31Å; I186-T189 VanDerWaalsContact O-N 3.12Å; I186-T189 PolarHBondContact O-OG1 3.34Å; I186-D190 WeakPolarHBondContact O-CB 3.34Å; I186-D190 PolarHBondContact O-N 3.31Å
187S86.7Confident88.2Confident10 Ų1068.9 Ų68.97%0.0735%0.348CS..Hα-helixtrans-62.3-33.5178.7-62.20000112.2S123 L183 Y184 R191S123-S187 PolarHBondContact OG-OG 3.31Å; L183-S187 PolarHBondContact O-N 2.97Å; L183-S187 PolarHBondContact O-OG 2.89Å; Y184-S187 PolarHBondContact O-N 3.39Å; S187-R191 WeakPolarHBondContact O-CB 3.35Å; S187-R191 WeakPolarHBondContact O-CG 3.4Å; S187-R191 PolarHBondContact O-N 3.01Å
188Y87Confident87.7Confident155 Ų15570.2 Ų70.261%0.60836%0.356SS*.Hα-helixtrans-65.7-45.4172.8-177.8-96.9000111.7Y184 C185 I186 D190 R191 A192Y184-Y188 WeakPolarHBondContact O-CB 3.34Å; Y184-Y188 PolarHBondContact O-N 2.98Å; C185-Y188 PolarHBondContact O-N 3.16Å; I186-Y188 VanDerWaalsContact C-N 3.25Å; I186-Y188 PolarHBondContact O-N 3.48Å; Y188-D190 VanDerWaalsContact C-N 3.32Å; Y188-D190 PolarHBondContact O-N 2.74Å; Y188-R191 PolarHBondContact O-N 3.24Å; Y188-A192 PolarHBondContact O-N 3.09Å
189T86.6Confident87.3Confident73 Ų7372.4 Ų72.445%0.44836%0.362SS..Hα-helixtrans-66.1-34177550000113C185 I186 A193C185-T189 WeakPolarHBondContact O-CG2 3.33Å; C185-T189 PolarHBondContact O-N 3.47Å; C185-T189 PolarHBondContact O-OG1 3.12Å; I186-T189 WeakPolarHBondContact CA-OG1 3.3Å; I186-T189 PolarHBondContact O-N 3.31Å; I186-T189 VanDerWaalsContact O-N 3.12Å; I186-T189 PolarHBondContact O-OG1 3.34Å; T189-A193 WeakPolarHBondContact O-CB 3.41Å; T189-A193 PolarHBondContact O-N 2.74Å
190D83.4Confident86.8Confident37 Ų3779.6 Ų79.620%0.19839%0.394CS..Hα-helixtrans-68.9-42.3176.9-170.260000111.2A120 I186 Y188 A193 Q194A120-D190 WeakPolarHBondContact CA-OD2 3Å; A120-D190 WeakPolarHBondContact CB-OD2 3.4Å; I186-D190 WeakPolarHBondContact O-CB 3.34Å; I186-D190 PolarHBondContact O-N 3.31Å; Y188-D190 VanDerWaalsContact C-N 3.32Å; Y188-D190 PolarHBondContact O-N 2.74Å; D190-A193 PolarHBondContact O-N 2.86Å; D190-Q194 WeakPolarHBondContact O-CG 3.11Å; D190-Q194 PolarHBondContact O-N 2.88Å; D190-Q194 PolarHBondContact OD2-NE2 2.92Å
191R84.4Confident86.4Confident155 Ų15584.3 Ų84.359%0.58541%0.414SS*.Hα-helixtrans-63.2-42.5173.3-74.4-180177.9-175.1-0.6112.6S187 Y188 A193 Q194 E195S187-R191 WeakPolarHBondContact O-CB 3.35Å; S187-R191 WeakPolarHBondContact O-CG 3.4Å; S187-R191 PolarHBondContact O-N 3.01Å; Y188-R191 PolarHBondContact O-N 3.24Å; R191-A193 VanDerWaalsContact C-N 3.29Å; R191-A193 PolarHBondContact O-N 2.81Å; R191-Q194 PolarHBondContact O-N 2.81Å; R191-E195 WeakPolarHBondContact O-CG 3.35Å; R191-E195 PolarHBondContact O-N 3.41Å
192A85.6Confident86Confident40 Ų4084.9 Ų84.933%0.33142%0.415SS..Hα-helixtrans-61.8-38.7175.900000111.9Y188 E196Y188-A192 PolarHBondContact O-N 3.09Å; A192-E196 PolarHBondContact O-N 3.01Å
193A83.4Confident85.5Confident35 Ų3584.8 Ų84.829%0.28942%0.422SS..Hα-helixtrans-69.3-38.9175.400000112.4T189 D190 R191 E196 V197T189-A193 WeakPolarHBondContact O-CB 3.41Å; T189-A193 PolarHBondContact O-N 2.74Å; D190-A193 PolarHBondContact O-N 2.86Å; R191-A193 VanDerWaalsContact C-N 3.29Å; R191-A193 PolarHBondContact O-N 2.81Å; A193-E196 PolarHBondContact O-N 2.93Å; A193-V197 WeakPolarHBondContact O-CG2 3.29Å; A193-V197 PolarHBondContact O-N 3.24Å; A193-V197 VanDerWaalsContact O-N 3.11Å
194Q84.1Confident84.8Confident77 Ų7791 Ų9136%0.3645%0.45SS..Hα-helixtrans-63.3-43.3175.6-75.51716.400111.8A120 D190 R191 E196 V197 E198A120-Q194 VanDerWaalsContact CB-NE2 3.34Å; D190-Q194 WeakPolarHBondContact O-CG 3.11Å; D190-Q194 PolarHBondContact O-N 2.88Å; D190-Q194 PolarHBondContact OD2-NE2 2.92Å; R191-Q194 PolarHBondContact O-N 2.81Å; Q194-E196 PolarHBondContact O-N 3.39Å; Q194-V197 PolarHBondContact O-N 3.01Å; Q194-V197 VanDerWaalsContact O-N 3.16Å; Q194-E198 WeakPolarHBondContact O-CG 3.23Å; Q194-E198 PolarHBondContact O-N 3.14Å
195E85.8Confident83.8Confident105 Ų10589.3 Ų89.349%0.49146%0.456SS..Hα-helixtrans-61.4-32.5176.3-73.6179-162.500112.8R191 K199R191-E195 WeakPolarHBondContact O-CG 3.35Å; R191-E195 PolarHBondContact O-N 3.41Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 VanDerWaalsContact O-CD 3.31Å; E195-K199 WeakPolarHBondContact O-CD 3.47Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 3.3Å; E195-K199 VanDerWaalsContact O-N 3.16Å
196E84.1Confident82.7Confident119 Ų11992.2 Ų92.256%0.55647%0.466SS*.Hα-helixtrans-69.6-45.4173.9-71.8-177.4171.600111.3A192 A193 Q194 K199 F200A192-E196 PolarHBondContact O-N 3.01Å; A193-E196 PolarHBondContact O-N 2.93Å; Q194-E196 PolarHBondContact O-N 3.39Å; E196-K199 WeakPolarHBondContact O-CB 3.36Å; E196-K199 PolarHBondContact O-N 2.86Å; E196-F200 HydrophobicContact CB-CE2 4.45Å; E196-F200 WeakPolarHBondContact O-CD2 3.46Å; E196-F200 PolarHBondContact O-N 2.9Å
197V84.5Confident81.6Confident79 Ų79100.4 Ų100.448%0.47950%0.497SS..Hα-helixtrans-60.9-46176.81760000111.1A193 Q194 K199 F200 E201A193-V197 WeakPolarHBondContact O-CG2 3.29Å; A193-V197 PolarHBondContact O-N 3.24Å; A193-V197 VanDerWaalsContact O-N 3.11Å; Q194-V197 PolarHBondContact O-N 3.01Å; Q194-V197 VanDerWaalsContact O-N 3.16Å; V197-K199 VanDerWaalsContact C-N 3.29Å; V197-K199 PolarHBondContact O-N 3.2Å; V197-F200 PolarHBondContact O-N 3.17Å; V197-F200 VanDerWaalsContact O-N 3.11Å; V197-E201 HydrophobicContact CG1-CG 4.42Å; V197-E201 WeakPolarHBondContact O-CG 3.37Å; V197-E201 PolarHBondContact O-N 2.92Å
198E85.9Confident79.8Confident123 Ų123102.1 Ų102.158%0.57552%0.516SS*.Hα-helixtrans-60.6-37176.7-72.4178.3-179.600112.2Q194 A202Q194-E198 WeakPolarHBondContact O-CG 3.23Å; Q194-E198 PolarHBondContact O-N 3.14Å; E198-A202 VanDerWaalsContact O-CB 3.26Å; E198-A202 WeakPolarHBondContact O-CB 3.36Å; E198-A202 PolarHBondContact O-N 2.8Å
199K85.8Confident77.7Confident127 Ų127103.4 Ų103.455%0.55253%0.53SS*.Hα-helixtrans-66.4-40.5174-74.9164.7-168.2157.30112E195 E196 V197 A202 V203E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 VanDerWaalsContact O-CD 3.31Å; E195-K199 WeakPolarHBondContact O-CD 3.47Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 3.3Å; E195-K199 VanDerWaalsContact O-N 3.16Å; E196-K199 WeakPolarHBondContact O-CB 3.36Å; E196-K199 PolarHBondContact O-N 2.86Å; V197-K199 VanDerWaalsContact C-N 3.29Å; V197-K199 PolarHBondContact O-N 3.2Å; K199-A202 PolarHBondContact O-N 2.03Å; K199-V203 VanDerWaalsContact O-CG2 3.31Å; K199-V203 WeakPolarHBondContact O-CG2 3.49Å; K199-V203 PolarHBondContact O-N 2.97Å; K199-V203 VanDerWaalsContact O-N 3.08Å
200F82.4Confident75.8Confident152 Ų152105.1 Ų105.167%0.66754%0.542SS*.Hα-helixtrans-65.3-43.6176.1-75.4-67.7000111.6E196 V197 A202 V203 E204E196-F200 HydrophobicContact CB-CE2 4.45Å; E196-F200 WeakPolarHBondContact O-CD2 3.46Å; E196-F200 PolarHBondContact O-N 2.9Å; V197-F200 PolarHBondContact O-N 3.17Å; V197-F200 VanDerWaalsContact O-N 3.11Å; F200-A202 PolarHBondContact O-N 2.86Å; F200-V203 PolarHBondContact O-N 2.95Å; F200-E204 PolarHBondContact O-N 3.37Å
201E84.5Confident73.9Confident112 Ų112107.9 Ų107.952%0.52357%0.565SS.*Hα-helixtrans-64.8-37.7176-69.3-179.9175.400112.1V197 V203 E204 T205V197-E201 HydrophobicContact CG1-CG 4.42Å; V197-E201 WeakPolarHBondContact O-CG 3.37Å; V197-E201 PolarHBondContact O-N 2.92Å; E201-V203 VanDerWaalsContact C-N 3.32Å; E201-V203 PolarHBondContact O-N 3.28Å; E201-E204 PolarHBondContact O-N 3.14Å; E201-T205 WeakPolarHBondContact O-CG2 3.28Å; E201-T205 PolarHBondContact O-N 3.33Å; E201-T205 PolarHBondContact O-OG1 2.91Å
202A83.8Confident72.1Confident47 Ų47107.8 Ų107.839%0.38858%0.581SS.*Hα-helixtrans-65.8-32.3174.200000112.8E198 K199 F200 T205 N206E198-A202 VanDerWaalsContact O-CB 3.26Å; E198-A202 WeakPolarHBondContact O-CB 3.36Å; E198-A202 PolarHBondContact O-N 2.8Å; K199-A202 PolarHBondContact O-N 2.03Å; F200-A202 PolarHBondContact O-N 2.86Å; A202-T205 WeakPolarHBondContact CA-OG1 3.48Å; A202-T205 PolarHBondContact O-OG1 3.07Å; A202-N206 PolarHBondContact O-N 3.37Å; A202-N206 PolarHBondContact O-ND2 3.38Å
203V81Confident69.9Low86 Ų86113.6 Ų113.652%0.52161%0.605SS.*Hα-helixtrans-76.1-40.5175.3173.10000111K199 F200 E201 T205 N206 Y207K199-V203 VanDerWaalsContact O-CG2 3.31Å; K199-V203 WeakPolarHBondContact O-CG2 3.49Å; K199-V203 PolarHBondContact O-N 2.97Å; K199-V203 VanDerWaalsContact O-N 3.08Å; F200-V203 PolarHBondContact O-N 2.95Å; E201-V203 VanDerWaalsContact C-N 3.32Å; E201-V203 PolarHBondContact O-N 3.28Å; V203-T205 VanDerWaalsContact C-N 3.35Å; V203-T205 PolarHBondContact O-N 3.33Å; V203-N206 PolarHBondContact O-N 2.96Å; V203-N206 VanDerWaalsContact O-N 3.16Å; V203-Y207 HydrophobicContact CG1-CD2 4.15Å; V203-Y207 PolarHBondContact O-N 3.47Å
204E73.8Confident68Low133 Ų133117.7 Ų117.762%0.62163%0.632SS**Hα-helixtrans-62.5-41.9177-172.7171.4-17800111.6F200 E201 N206 Y207 G208F200-E204 PolarHBondContact O-N 3.37Å; E201-E204 PolarHBondContact O-N 3.14Å; E204-N206 VanDerWaalsContact C-N 3.27Å; E204-N206 PolarHBondContact O-N 2.9Å; E204-Y207 PolarHBondContact O-N 3.43Å; E204-G208 WeakPolarHBondContact O-CA 3.43Å; E204-G208 PolarHBondContact O-N 2.88Å
205T71.8Confident65.8Low112 Ų112117.7 Ų117.769%0.68765%0.653SS**Hα-helixtrans-66.1-25.1175.450.10000113.7E201 A202 V203E201-T205 WeakPolarHBondContact O-CG2 3.28Å; E201-T205 PolarHBondContact O-N 3.33Å; E201-T205 PolarHBondContact O-OG1 2.91Å; A202-T205 WeakPolarHBondContact CA-OG1 3.48Å; A202-T205 PolarHBondContact O-OG1 3.07Å; V203-T205 VanDerWaalsContact C-N 3.35Å; V203-T205 PolarHBondContact O-N 3.33Å
206N65.9Low63.6Low132 Ų132124.4 Ų124.471%0.70667%0.674SS**Hα-helixtrans-88.6-23.7177.5-83.8-77000114.3A202 V203 E204A202-N206 PolarHBondContact O-N 3.37Å; A202-N206 PolarHBondContact O-ND2 3.38Å; V203-N206 PolarHBondContact O-N 2.96Å; V203-N206 VanDerWaalsContact O-N 3.16Å; E204-N206 VanDerWaalsContact C-N 3.27Å; E204-N206 PolarHBondContact O-N 2.9Å
207Y62.3Low61.4Low199 Ų199127 Ų12778%0.7869%0.69SS**Hα-helixtrans-114.3-4.3-178.1-78.2-86.2000114.8V203 E204V203-Y207 HydrophobicContact CG1-CD2 4.15Å; V203-Y207 PolarHBondContact O-N 3.47Å; E204-Y207 PolarHBondContact O-N 3.43Å
208G49.8Very low59.4Low46 Ų46126.7 Ų126.747%0.47470%0.702SS.*  trans-115.155.5-166.400000116.1E204E204-G208 WeakPolarHBondContact O-CA 3.43Å; E204-G208 PolarHBondContact O-N 2.88Å
209M42.8Very low57.1Low183 Ų183127 Ų12790%0.90172%0.718SS**  trans-138.670.7149.9-94.4-79.3-8200109.7S211M209-S211 PolarHBondContact O-N 3.1Å
210P47.2Very low55Low108 Ų108124.9 Ų124.970%0.70173%0.732SS**  trans-79.2108.815730.3-25.9000108V212P210-V212 PolarHBondContact O-N 3.12Å; P210-V212 VanDerWaalsContact O-N 3.11Å
211S42.7Very low53.1Low96 Ų96121 Ų12167%0.67174%0.735SS**  trans-43.7110.6165320000111.7M209 L213M209-S211 PolarHBondContact O-N 3.1Å; S211-L213 PolarHBondContact O-N 3.5Å
212V47.1Very low50.7Low152 Ų152122.9 Ų122.992%0.92175%0.748SS**SBendtrans-71.363.5157-77.50000109.2P210P210-V212 PolarHBondContact O-N 3.12Å; P210-V212 VanDerWaalsContact O-N 3.11Å
213L38.2Very low48.5Very low162 Ų162130.9 Ų130.985%0.84877%0.77SS**  trans-157.969.5171.5-157.876.3000109.7S211S211-L213 PolarHBondContact O-N 3.5Å
214S44.5Very low46.5Very low122 Ų122133 Ų13385%0.85379%0.788SS**  trans-126.2113.2164.9-168.10000108.9
215G38.1Very low45Very low77 Ų77130.3 Ų130.379%0.79480%0.796SS**  trans-68.9142.6-170.900000113.1
216R40.1Very low43.4Very low245 Ų245129 Ų12993%0.92580%0.804SS**  trans-115110.6152.3-162.1170.4-176177.11108.9G218R216-G218 PolarHBondContact O-N 2.86Å
217I37.8Very low41.8Very low175 Ų175131.4 Ų131.490%0.89782%0.816SS**  trans-42.7120.4168.3-63.4155.4000109.8
218G41.1Very low40.6Very low71 Ų71127.7 Ų127.773%0.73282%0.819SS**  trans-171.7101.4178.800000110.2R216R216-G218 PolarHBondContact O-N 2.86Å
219S38.7Very low39.9Very low131 Ų131128.4 Ų128.492%0.91683%0.827SS**  trans-50.4132.3-173.3-43.70000114.9
220G42.5Very low39.5Very low81 Ų81128.1 Ų128.184%0.83583%0.827SS**  trans151.6108.7158.900000115.5
221G41Very low38.7Very low72 Ų72126.7 Ų126.774%0.74283%0.832SS**  trans93108.9151.100000117.1
222L34.4Very low38.3Very low151 Ų151125.8 Ų125.879%0.79184%0.838SS**  trans-41.8153.4148.8-74.379.8000109.3
223Y38.8Very low37.7Very low215 Ų215123.9 Ų123.984%0.84384%0.838SS**  -168.7126.867.29-101.7000110.7
224S38.6Very low37.6Very low131 Ų131119.4 Ų119.492%0.91683%0.831SS**  trans33.2125138.2-164.10000121.1
225G41.4Very low37.4Very low75 Ų75117 Ų11777%0.77383%0.826SS**  trans150.3100.9136.400000117.2
226G38.2Very low37.6Very low84 Ų84119.4 Ų119.487%0.86683%0.825SS**  trans88.892.6132.100000118.8
227L32.3Very low37.8Very low184 Ų184114.3 Ų114.396%0.96382%0.82SS**  trans-70.1126.1156-16685.3000109.5
228S37.1Very low38.3Very low120 Ų120110.9 Ų110.984%0.83981%0.808SS**  trans-161.9130.1153.7-172.40000109.9
229G34.9Very low38.5Very low62 Ų62116.8 Ų116.864%0.63981%0.813SS**  trans-81.2-150.7-170.400000115.9
230I34.1Very low39.3Very low177 Ų177116.2 Ų116.291%0.90880%0.804SS**  trans89.4106.2-170.6-52.4166.4000109.5
231G30.9Very low39.9Very low78 Ų78117.7 Ų117.780%0.80480%0.798SS**  cis107.99048.900000106.7
232G34Very low40.1Very low76 Ų76119.3 Ų119.378%0.78480%0.799SS**  trans-175.288.7-177.200000110.2G234G232-G234 VanDerWaalsContact C-N 3.32Å; G232-G234 PolarHBondContact O-N 3.47Å
233A35.7Very low40.5Very low113 Ų113119.4 Ų119.493%0.93481%0.805SS**  trans-63.293.6169.300000108.7G235A233-G235 PolarHBondContact O-N 3.43Å
234G36.4Very low41.1Very low67 Ų67113 Ų11369%0.69181%0.805SS**  trans-76.8106.5170.200000109G232 V236G232-G234 VanDerWaalsContact C-N 3.32Å; G232-G234 PolarHBondContact O-N 3.47Å; G234-V236 PolarHBondContact O-N 3.44Å
235G39.2Very low41.3Very low73 Ų73111 Ų11175%0.75380%0.796SS**  trans-61.6118.5169.200000109.8A233 V237A233-G235 PolarHBondContact O-N 3.43Å; G235-V237 PolarHBondContact O-N 3.05Å
236V41.9Very low41Very low127 Ų127119.1 Ų119.177%0.7780%0.804SS**  trans-78.4112.5171.2175.90000107.5G234 V238G234-V236 PolarHBondContact O-N 3.44Å; V236-V238 HydrophobicContact CG1-CG2 3.94Å; V236-V238 PolarHBondContact O-N 3.48Å
237V44.2Very low41.5Very low137 Ų137120.4 Ų120.483%0.8380%0.797SS**  trans-78.7102.7169.9175.20000107.9G235 K239G235-V237 PolarHBondContact O-N 3.05Å; V237-K239 PolarHBondContact O-N 3.1Å
238V49Very low41.7Very low104 Ų104120.5 Ų120.563%0.6379%0.792SS**  trans-84.8109.9171.6-174.70000108.7V236 V240V236-V238 HydrophobicContact CG1-CG2 3.94Å; V236-V238 PolarHBondContact O-N 3.48Å; V238-V240 PolarHBondContact O-N 3.05Å
239K45Very low41.9Very low194 Ų194122.8 Ų122.884%0.84379%0.79SS**  trans-80.798.5171.8-170.8171.1-175.8169.40108.3V237 P241V237-K239 PolarHBondContact O-N 3.1Å; K239-P241 WeakPolarHBondContact O-CD 3.43Å
240V56.6Low42Very low120 Ų120125.9 Ų125.973%0.72780%0.796SS**PPolyproline II helixtrans-64.6123.9173.4-171.20000108.5V238 S242V238-V240 PolarHBondContact O-N 3.05Å; V240-S242 PolarHBondContact O-N 3.27Å
241P53.1Low42.3Very low111 Ų111124.4 Ų124.472%0.72179%0.788SS**PPolyproline II helixtrans-66.6136.1177.525.3-30.6000110K239 T243K239-P241 WeakPolarHBondContact O-CD 3.43Å; P241-T243 PolarHBondContact O-N 3.49Å
242S45.4Very low42.9Very low107 Ų107125 Ų12575%0.74879%0.785SS**PPolyproline II helixtrans-52.8127.2175470000111.1V240 G244V240-S242 PolarHBondContact O-N 3.27Å; S242-G244 PolarHBondContact O-N 3.41Å
243T43.9Very low43.1Very low152 Ų152129.2 Ų129.293%0.93379%0.79SS**THydrogen-bonded Turntrans-47.8107.4170.737.70000110.5P241P241-T243 PolarHBondContact O-N 3.49Å
244G50.2Low43.4Very low80 Ų80130.8 Ų130.883%0.82578%0.782SS**THydrogen-bonded Turntrans163.4-18.7177.600000117.2S242S242-G244 PolarHBondContact O-N 3.41Å
245A43.2Very low43.9Very low90 Ų90131.7 Ų131.774%0.74478%0.778SS**  trans-109.1110.6-179.800000111.2P247A245-P247 WeakPolarHBondContact O-CD 3.24Å
246R36.6Very low44.1Very low245 Ų245136.4 Ų136.493%0.92579%0.786SS**  trans-60124.1165.4-72.1179174.9172.1-2.1108.6
247P46.7Very low44.1Very low112 Ų112138.5 Ų138.573%0.72779%0.792SS**  trans-86.2114.2163.930.7-24.4000108.7A245 Q249A245-P247 WeakPolarHBondContact O-CD 3.24Å; P247-Q249 PolarHBondContact O-N 3.29Å
248E37.8Very low44.2Very low185 Ų185143.5 Ų143.586%0.86480%0.796SS**  trans-63.8102.3157.7-172.4-177173.800107
249Q41.7Very low43.6Very low169 Ų169144.2 Ų144.279%0.7980%0.803SS**  trans-116.6103169.9-100.6-175.5-8.400110.1P247 I251P247-Q249 PolarHBondContact O-N 3.29Å; Q249-I251 PolarHBondContact O-N 3.03Å; Q249-I251 VanDerWaalsContact O-N 3.17Å
250V35.9Very low43.3Very low127 Ų127144.1 Ų144.177%0.7781%0.808SS**  trans-49.1105.5161.5177.10000108.9A252V250-A252 PolarHBondContact O-N 3.41Å
251I40.8Very low42.6Very low145 Ų145145 Ų14574%0.74481%0.808SS**  trans-80.3102.9168.5-63.6167.8000106.5Q249 L253Q249-I251 PolarHBondContact O-N 3.03Å; Q249-I251 VanDerWaalsContact O-N 3.17Å; I251-L253 HydrophobicContact CG2-CD1 4.47Å; I251-L253 PolarHBondContact O-N 3.27Å
252A43.4Very low42Very low90 Ų90146.4 Ų146.474%0.74482%0.815SS**  trans-70106.2164.700000108.1V250 D254V250-A252 PolarHBondContact O-N 3.41Å; A252-D254 PolarHBondContact O-N 3.11Å
253L37.4Very low41.6Very low166 Ų166144.7 Ų144.787%0.86981%0.814SS**  trans-70.1119161.3-94.495.8000107.8I251I251-L253 HydrophobicContact CG2-CD1 4.47Å; I251-L253 PolarHBondContact O-N 3.27Å
254D43.7Very low41.4Very low146 Ų146146.3 Ų146.378%0.78181%0.811SS**  trans-132.7131161.3-166.648.8000110.5A252A252-D254 PolarHBondContact O-N 3.11Å
255S46.4Very low40.9Very low85 Ų85150.4 Ų150.459%0.59481%0.808SS**  trans65.684.7154.2-59.20000119.9
256D43.4Very low40.8Very low172 Ų172150.8 Ų150.892%0.9281%0.806SS**  -16590120.5-105.9-24.8000111.4
257L40.7Very low40.8Very low172 Ų172147.8 Ų147.890%0.90180%0.804SS**  trans-81.8111.9166.1-98.1118000109.2
258R46.9Very low40.3Very low241 Ų241148.2 Ų148.291%0.90981%0.81SS**  trans-120.1124.3147.3-94.4-172.7-179.7146.52.3108.8
259P36.2Very low40.1Very low120 Ų120147.3 Ų147.378%0.77981%0.81SS**  trans-81.5130.6177.331.9-28.7000109.1
260M39.7Very low39.9Very low192 Ų192149.1 Ų149.195%0.94682%0.816SS**  trans-143.5137.3157-149.6173.7176.200110.4
261D42.1Very low39.9Very low138 Ų138148.4 Ų148.474%0.73882%0.816SS**  trans-73.3146.5-151.5-75.7-61000117
262T39.7Very low39.7Very low140 Ų140148 Ų14886%0.85982%0.823SS**  trans60.9130.7137.358.60000121.6
263G37.2Very low39.6Very low71 Ų71148.4 Ų148.473%0.73282%0.821SS**  trans131.367.2158.900000112.5
264H40.1Very low39.6Very low186 Ų186148.8 Ų148.886%0.86182%0.821SS**  62.2126.1107.2-109.5-87.5000115.7
265E40.2Very low39.1Very low167 Ų167144.9 Ų144.978%0.7882%0.816SS**  trans10482.8158.7-55.7-166.8128.700119.3
266S39.5Very low38.5Very low98 Ų98149.6 Ų149.669%0.68583%0.831SS**  36.3121.612039.90000121.9
267M37.8Very low37.9Very low181 Ų181149.4 Ų149.489%0.89283%0.829SS**  95.7129.6125.6-77.5175.9130.400120.9
268S36.2Very low37.6Very low121 Ų121145 Ų14585%0.84681%0.812SS**  trans90.989.1150.271.40000118.5
269L32.7Very low37.2Very low166 Ų166140.4 Ų140.487%0.86981%0.806SS**  trans-73.5117.1153.8-79.5157.3000108.9
270F37.9Very low37.2Very low208 Ų208141.7 Ų141.791%0.91281%0.806SS**  trans179.2100.2140.5-89.9-62.8000109.4
271S36.2Very low37.3Very low111 Ų111136.5 Ų136.578%0.77679%0.787SS**  trans158.7113.7142.1-76.10000109.6
272P36.8Very low37Very low136 Ų136140.9 Ų140.988%0.88380%0.795SS**  trans-86.7121.7173.732.2-25.7000109.4
273S40.3Very low36.7Very low100 Ų100142.4 Ų142.470%0.69979%0.791SS**  trans-134.6114.8164.3-59.40000108.5
274I38Very low36.6Very low173 Ų173147.1 Ų147.189%0.88779%0.789SS**  trans67.1124.8137.1-55.5171.9000119.1
275G33.6Very low36.5Very low64 Ų64146.3 Ų146.366%0.6678%0.782SS**  trans94.7112.714600000115.5
276M33.4Very low36.2Very low185 Ų185141.6 Ų141.691%0.91178%0.779SS**  68.4135.573.5-80.9-92.9178.500115.4
277L31.3Very low36.1Very low168 Ų168145.1 Ų145.188%0.8879%0.788SS**  trans91.6142.9176.3-86.982.2000116.5
278S34.5Very low36Very low78 Ų78143.2 Ų143.255%0.54578%0.782SS.*  cis-178.4150.3-0.1158.90000107.2
279N37.2Very low36.1Very low146 Ų146146.6 Ų146.678%0.78178%0.781SS**  174.2102.2125.3-86.1-12.6000114.4
280N37Very low36.4Very low146 Ų146147.5 Ų147.578%0.78178%0.781SS**  54166.5125.6-107.63.1000122.7
281P41Very low36.1Very low84 Ų84143.5 Ų143.555%0.54578%0.776SS.*  cis-137.8158.4-32.427.9-9.3000114
282Y36.2Very low36.3Very low230 Ų230144.9 Ų144.990%0.90278%0.779SS**  trans-164.6117.5142.2-84.6-63.1000112.4
283H34.8Very low35.9Very low171 Ų171145.7 Ų145.779%0.79278%0.776SS**  trans26.5130.8148.5-97.1-80.1000120.2
284Y33.4Very low35.7Very low171 Ų171148.9 Ų148.967%0.67178%0.784SS**  179.513966.1-163-104.5000112.1
285K37.9Very low35.5Very low168 Ų168147.1 Ų147.173%0.7378%0.777SS**  trans35.4122.8158.9-69.2-168.8-175.2160.50122.5
286G35.5Very low35.5Very low69 Ų69152 Ų15271%0.71178%0.782SS**  129.2106.997.200000119
287I37.4Very low35.5Very low171 Ų171151.9 Ų151.988%0.87778%0.779SS**  trans99.9109.2143.5-53177.7000117.8
288D34.1Very low35.5Very low141 Ų141152 Ų15275%0.75478%0.775SS**  trans-67.3151.1174.3-57-71.8000115.1
289K39.6Very low35.6Very low193 Ų193156.9 Ų156.984%0.83979%0.789SS**  172.3107.2107.3-89.7172.3-174.7-175.80113.3
290Q38Very low35.3Very low185 Ų185157 Ų15786%0.86479%0.789SS**  60.5125.7127.7-136.8165.48.300122.1
291P32.2Very low35.3Very low124 Ų124158.5 Ų158.581%0.80579%0.792SS**  trans-99.5151.6171.837.3-29.2000113
292V39.3Very low35Very low139 Ų139159.1 Ų159.184%0.84280%0.798SS**  trans-113.3131.1170175.70000109.3
293N29.8Very low35.1Very low153 Ų153155.6 Ų155.682%0.81880%0.795SS**  trans-106.1133.3172.9-146.5-17.5000106.8
294L36Very low35.2Very low167 Ų167152.8 Ų152.887%0.87480%0.795SS**  trans-147135.7164.8-140.191.1000112.3
295N32.5Very low35.4Very low137 Ų137150.2 Ų150.273%0.73380%0.799SS**  trans-68.4162.1-171.1-80.9-34000116.7
296H34.7Very low35.2Very low167 Ų167148.6 Ų148.677%0.77380%0.803SS**  trans34.5126.9140.8-74.9-50.3000120.6
297Q33.7Very low35.1Very low181 Ų181154.2 Ų154.285%0.84681%0.808SS**  -173137.6107.7-105.9173.1-64.200113.2
298H31.1Very low35Very low170 Ų170151.5 Ų151.579%0.78781%0.805SS**  trans-54.7144.4162.8-99.2-103.1000112.2
299H36.5Very low34.8Very low181 Ų181150.3 Ų150.384%0.83881%0.805SS**  trans-157.2123.4139.3-98.4-71.8000111
300N30.9Very low34.5Very low148 Ų148147.3 Ų147.379%0.79180%0.802SS**  trans-70.6141.8162.3-82.9-22.6000109.2
301E37.1Very low34.1Very low179 Ų179146.9 Ų146.984%0.83680%0.8SS**  trans-148.8115.5147.7-130.1176.5124.100111.4
302S33.9Very low33.9Very low97 Ų97146.2 Ų146.268%0.67880%0.798SS**  trans-70.2140.3163.345.20000111
303N38.1Very low33.6Very low156 Ų156148.1 Ų148.183%0.83480%0.798SS**  trans-157135.9145.2-92.6-35.3000111.8
304S38.2Very low33.4Very low112 Ų112149.5 Ų149.578%0.78380%0.8SS**  trans-97.9-151.3-163.8-56.90000111.9
305P37.3Very low33.2Very low117 Ų117150 Ų15076%0.7679%0.791SS**  -127.8174.7-101.538.7-19.5000113.5
306T34.1Very low32.9Very low134 Ų134148.8 Ų148.882%0.82279%0.793SS**  trans-168.9106.4155.8-63.50000108.5
307F32.5Very low32.7Very low186 Ų186148.2 Ų148.282%0.81679%0.791SS**  67.1109.183.3-129.4-86.5000115.8
308S34.5Very low32.8Very low115 Ų115148.9 Ų148.980%0.80479%0.794SS**  trans167.2122.4134.1-70.90000111.9
309P30.2Very low33Very low116 Ų116146.8 Ų146.875%0.75379%0.794SS**  trans-122.5101.916334-17.5000111
310V33.2Very low33.1Very low130 Ų130144 Ų14479%0.78879%0.792SS**  trans-157128.5169.3-1700000104
311E31.3Very low33.2Very low175 Ų175144.1 Ų144.182%0.81879%0.792SS**  -170.613669.2-158.6157.1166.300110E313E311-E313 PolarHBondContact O-N 2.92Å
312S27.4Very low33Very low110 Ų110146 Ų14677%0.76979%0.792SS**  trans-74.1110.9172.344.60000110.5Q314S312-Q314 PolarHBondContact O-N 3.47Å
313E32.6Very low33Very low180 Ų180146 Ų14684%0.84179%0.788SS**  trans-77.4103.9169.1-78.1-170.912100110.7E311 Y315E311-E313 PolarHBondContact O-N 2.92Å; E313-Y315 PolarHBondContact O-N 3.44Å
314Q26.1Very low33.1Very low181 Ų181145.4 Ų145.485%0.84679%0.785SS**  trans-79.386.9168.7-167.8169.6-34.800108.3S312 S316S312-Q314 PolarHBondContact O-N 3.47Å; Q314-S316 PolarHBondContact O-N 3.24Å
315Y30.7Very low33Very low178 Ų178148.1 Ų148.170%0.69879%0.785SS**  trans-86.895173.2-136-93000110E313 Q317E313-Y315 PolarHBondContact O-N 3.44Å; Y315-Q317 HydrophobicContact CD1-CB 4.17Å; Y315-Q317 HydrophobicContact CD1-CG 4.16Å; Y315-Q317 HydrophobicContact CE1-CG 4.15Å; Y315-Q317 PolarHBondContact O-N 3.27Å
316S26Very low33.1Very low111 Ų111148 Ų14878%0.77678%0.784SS**  trans-60.3110.8157.4-740000108.4Q314Q314-S316 PolarHBondContact O-N 3.24Å
317Q32.2Very low33.2Very low155 Ų155147.9 Ų147.972%0.72478%0.783SS**  trans-130.3112166.2-131.7166.9-19.700109.2Y315 T319Y315-Q317 HydrophobicContact CD1-CB 4.17Å; Y315-Q317 HydrophobicContact CD1-CG 4.16Å; Y315-Q317 HydrophobicContact CE1-CG 4.15Å; Y315-Q317 PolarHBondContact O-N 3.27Å; Q317-T319 PolarHBondContact O-N 3.01Å
318E35.1Very low33.2Very low195 Ų195145 Ų14591%0.91178%0.781SS**PPolyproline II helixtrans-52.5118.4178.5-66.7168.4120.400111
319T35.6Very low33.2Very low127 Ų127145.6 Ų145.678%0.77978%0.78SS**PPolyproline II helixtrans-71.7129.7165.537.70000110.4Q317 L321Q317-T319 PolarHBondContact O-N 3.01Å; T319-L321 PolarHBondContact O-N 3.15Å
320P38.9Very low33.3Very low123 Ų123149.2 Ų149.280%0.79978%0.784SS**PPolyproline II helixtrans-73.9117.8161.228.4-29000109.5Y322P320-Y322 PolarHBondContact O-N 3.37Å
321L31.8Very low33.3Very low150 Ų150153.8 Ų153.879%0.78579%0.789SS**  trans-61.6113.1172-121.3136.2000109.8T319 V323T319-L321 PolarHBondContact O-N 3.15Å; L321-V323 HydrophobicContact CD2-CG2 3.59Å
322Y33.9Very low33.4Very low218 Ų218154 Ų15486%0.85579%0.792SS**  trans-95.4101.5161.5-120.4-88.9000108.7P320 N324P320-Y322 PolarHBondContact O-N 3.37Å; Y322-N324 PolarHBondContact O-N 3.16Å
323V34.6Very low33.7Very low96 Ų96159 Ų15958%0.58280%0.8SS**  trans-77111173.1175.70000108.2L321L321-V323 HydrophobicContact CD2-CG2 3.59Å
324N40Very low33.7Very low145 Ų145158.1 Ų158.178%0.77580%0.796SS**  trans-91.6108160.8-75.6-33.9000108.1Y322Y322-N324 PolarHBondContact O-N 3.16Å
325H36.3Very low33.9Very low169 Ų169154.2 Ų154.278%0.78279%0.788SS**  trans-69.6130.3164.7-101.8-65.1000109.6
326P37.7Very low33.9Very low113 Ų113152.4 Ų152.473%0.73479%0.791SS**  trans-88.5109.316931.6-26.4000109.2T328P326-T328 PolarHBondContact O-N 3.23Å
327T36.5Very low34.1Very low132 Ų132157.3 Ų157.381%0.8179%0.794SS**  trans-86.3107.5164.8-22.80000108.5
328T32.8Very low34.1Very low127 Ų127155.2 Ų155.278%0.77980%0.796SS**  trans-51.6125.3171.245.60000112.7P326P326-T328 PolarHBondContact O-N 3.23Å
329T35.2Very low33.7Very low127 Ų127151.5 Ų151.578%0.77979%0.792SS**  trans-133.3111.6152-35.50000109.4Y331T329-Y331 PolarHBondContact O-N 3.08Å
330K32.2Very low33.6Very low192 Ų192150.3 Ų150.384%0.83579%0.788SS**  trans-59.8123174.9-66.8170.9174.9175.20110.4
331Y33.8Very low33.1Very low225 Ų225150 Ų15088%0.88279%0.79SS**  trans-144.3107.4143.5-85.7-73.9000109.6T329T329-Y331 PolarHBondContact O-N 3.08Å
332M32.2Very low33.3Very low181 Ų181149.7 Ų149.789%0.89279%0.793SS**  trans-92.6113.7169.9-164.1-173-170.200106.5
333K34.6Very low33.2Very low213 Ų213143.9 Ų143.993%0.92679%0.785SS**  trans-150.8129.6151.9-152.5169.2-176.8179.50111.1
334Q31Very low33.2Very low163 Ų163144.6 Ų144.676%0.76279%0.794SS**  trans-95157.8-167-167.1170100110.3
335S31.5Very low32.9Very low98 Ų98145.1 Ų145.169%0.68580%0.797SS**  trans92114.3152.976.90000120.1
336N31.4Very low32.9Very low140 Ų140145.8 Ų145.875%0.74980%0.802SS**  83.7116123.8-67-6.2000121.5
337Y28.6Very low32.8Very low215 Ų215148.6 Ų148.684%0.84380%0.803SS**  trans43.7112.9135-76.5-90000118.4
338S32.4Very low32.6Very low110 Ų110147.6 Ų147.677%0.76980%0.801SS**  178.4137.2108.546.60000111.4
339S27.7Very low32.8Very low118 Ų118151 Ų15183%0.82580%0.801SS**  trans-48132168.648.10000114.3
340S33.1Very low33.1Very low101 Ų101149.7 Ų149.771%0.70680%0.797SS**  trans-166119.5149.943.60000111.3
341S29Very low33.5Very low118 Ų118146.6 Ų146.683%0.82580%0.797SS**  trans-19.9129.9158.851.40000116.3
342V34.6Very low33.9Very low143 Ų143144.2 Ų144.287%0.86780%0.798SS**  trans-130.7120.6159.2-1790000110.5
343S33Very low34.3Very low96 Ų96142.2 Ų142.267%0.67180%0.796SS**  trans-51.8134175.6-177.40000113.6N345S343-N345 PolarHBondContact O-N 3.43Å
344S33.1Very low34.3Very low110 Ų110135 Ų13577%0.76978%0.782SS**  trans-65.1105.6165.651.40000110.7
345N35Very low34.5Very low157 Ų157136.9 Ų136.984%0.8479%0.79SS**  trans-108.593.6161.1-103.3-28.4000107.9S343 K347S343-N345 PolarHBondContact O-N 3.43Å; N345-K347 PolarHBondContact O-N 3.41Å
346M35.1Very low34.6Very low182 Ų182140.9 Ų140.990%0.89780%0.799SS**  trans-86.198.7176.8-155168.5170.700107.5
347K35.3Very low34.8Very low173 Ų173143.2 Ų143.275%0.75281%0.805SS**  trans-90.5110.4174.7-119.7170-176.8177.10109N345 Y349N345-K347 PolarHBondContact O-N 3.41Å; K347-Y349 HydrophobicContact CB-CE2 4.44Å
348S32.6Very low35.1Very low110 Ų110141.1 Ų141.177%0.76980%0.803SS**  trans-59.1130.4167.2-178.40000110.2
349Y38.5Very low35Very low200 Ų200145.7 Ų145.778%0.78481%0.812SS**  trans-123.9118.3167.1-91-85.2000110K347K347-Y349 HydrophobicContact CB-CE2 4.44Å
350S41.1Very low35.3Very low99 Ų99143 Ų14369%0.69280%0.797SS**PPolyproline II helixtrans-86142.2161.1-61.60000108.9
351P40.2Very low35.3Very low127 Ų127144.4 Ų144.483%0.82580%0.797SS**PPolyproline II helixtrans-82.4132.4179.529.4-26.5000111.3
352L42.7Very low35.6Very low175 Ų175147 Ų14792%0.91680%0.8SS**PPolyproline II helixtrans-65.8138.8-178.5-73.8162.7000112.6
353V40.8Very low35.3Very low139 Ų139145.4 Ų145.484%0.84280%0.796SS**PPolyproline II helixtrans-92.4132163.6165.90000107.6
354G33Very low35.4Very low61 Ų61148.9 Ų148.963%0.62980%0.803SS**  trans73121.615000000116.9
355E36.8Very low35.6Very low202 Ų202152 Ų15294%0.94481%0.81SS**  -174.5110.6121.4-96.8161.7174.600108.4
356E33.5Very low35.6Very low183 Ų183149.7 Ų149.786%0.85581%0.807SS**  trans-69.7159.2156.3-70.7173.1140.200108.5
357E33.8Very low35.6Very low189 Ų189149.9 Ų149.988%0.88381%0.805SS**  trans79100.9173.1-53.5-177.6156.300116.1
358E34.9Very low35.8Very low170 Ų170149.1 Ų149.179%0.79481%0.809SS**  -170.288.4117.7-145.8166.4165.800110.4A360E358-A360 PolarHBondContact O-N 3.4Å
359E32.1Very low35.9Very low206 Ų206148.6 Ų148.696%0.96380%0.803SS**  trans-90.177.7167.4-165.7-179.6-156.500108.3
360A33.7Very low35.9Very low63 Ų63147 Ų14752%0.52181%0.808SS.*  trans-169.1143.9164.400000109.5E358E358-A360 PolarHBondContact O-N 3.4Å
361N33.5Very low35.7Very low129 Ų129152.5 Ų152.569%0.6981%0.814SS**  trans8972.7168.7-42.5-42.5000116.6
362L34.6Very low35.5Very low172 Ų172156.3 Ų156.390%0.90181%0.812SS**  trans-151.456.8133.3-137.984.8000112.2M364L362-M364 PolarHBondContact O-N 3.37Å
363S29.1Very low35.3Very low110 Ų110154.3 Ų154.377%0.76980%0.802SS**  trans-7698.7151.5440000107.9
364M33.7Very low35.2Very low169 Ų169152.9 Ų152.983%0.83379%0.794SS**  trans167.199.8150.8-95.8-162.3-168.800107.3L362L362-M364 PolarHBondContact O-N 3.37Å
365L37.5Very low35.3Very low175 Ų175157 Ų15792%0.91680%0.8SS**  trans173.1127.7135.4-93.1155.2000111.4
366S34.3Very low35.4Very low109 Ų109154.8 Ų154.876%0.76279%0.793SS**  trans8576.4149.1-150.60000119.5
367E35.6Very low35.5Very low187 Ų187153.7 Ų153.787%0.87479%0.788SS**  19.3110.4109.6-147.5165.1135.500117.6
368N40.1Very low35.6Very low156 Ų156155.9 Ų155.983%0.83479%0.788SS**  trans-165.7117.8141.5-150.6-20.4000110.6
369P35.5Very low35.8Very low99 Ų99153.8 Ų153.864%0.64378%0.782SS**  trans-99.9130.1173.634.3-24.1000110.4
370D37.5Very low35.8Very low166 Ų166151.1 Ų151.189%0.88877%0.774SS**  trans-179145.6135.1-108.6-34.7000114.8
371R36.1Very low35.9Very low215 Ų215155.2 Ų155.281%0.81179%0.793SS**  trans97.885.6147.6-155.4173.2-99.8-136.41.5120
372R37.7Very low36.1Very low208 Ų208154.4 Ų154.479%0.78580%0.798SS**  73.7131.4116.2-91.6-174.7-164.8-178.23122.2
373N37.7Very low36.4Very low133 Ų133151.3 Ų151.371%0.71179%0.788SS**  trans89.6128.1144.7-63-2.9000116.1
374T38.4Very low37Very low108 Ų108151.5 Ų151.566%0.66379%0.789SS**  cis-174.2129.8-5.470000106.9
375I35.1Very low37.2Very low147 Ų147149.1 Ų149.175%0.75479%0.787SS**  trans45.3119.1130.1-45.7168.9000115.8
376I39Very low37.3Very low156 Ų156148.6 Ų148.680%0.878%0.783SS**  -163.2141.575-74171.3000112.4
377Q36.3Very low37.3Very low160 Ų160154 Ų15475%0.74879%0.787SS**  trans-55.1152.4176.4-69.2157.3-93.200117.8
378R36Very low37.7Very low236 Ų236153.3 Ų153.389%0.89178%0.783SS**  -167.4110.8115.6-110.1-177.9-174123-0.4114
379D37.9Very low37.8Very low126 Ų126150.9 Ų150.967%0.67478%0.778SS**  trans45.6104135.7-57.2-26.4000123.1
380N32Very low38Very low149 Ų149154 Ų15480%0.79779%0.788SS**  5.5126.1128.3-65.9-19.9000119.2
381T37.5Very low38.3Very low149 Ų149151.1 Ų151.191%0.91478%0.779SS**  -179.9136.3109.926.10000112.3
382S36.1Very low38.5Very low112 Ų112146.9 Ų146.978%0.78378%0.777SS**  trans-91.2-172.4179.3-169.40000110.7
383P41.8Very low38.7Very low108 Ų108142.2 Ų142.270%0.70178%0.776SS**  cis-127.4178.7-42.121.9-0000113.4
384S41.2Very low38.9Very low113 Ų113143.1 Ų143.179%0.7978%0.776SS**  trans124.9147.8135-47.40000117.9
385P38.8Very low38.9Very low120 Ų120148.8 Ų148.878%0.77979%0.786SS**  trans-117.1150.6-158.238.5-23.9000115.1
386I39.6Very low39.1Very low163 Ų163145 Ų14584%0.83678%0.782SS**  trans-144.3138165.4-60.5-175.2000112.4
387R34.2Very low39Very low223 Ų223148.2 Ų148.284%0.84279%0.786SS**  trans-48.3165.1174.9-65.9172.3-179.6-174.8-1.6116.1
388H43.3Very low39.3Very low172 Ų172148.9 Ų148.980%0.79679%0.789SS**  178102.6127.1-87.8-61.7000108.9
389S41.8Very low39.3Very low106 Ų106141.9 Ų141.974%0.74178%0.776SS**  80.5111.393.858.80000117.2
390L39.4Very low39.5Very low163 Ų163143.4 Ų143.485%0.85378%0.784SS**  trans-59.1166.9160.6-97.7139.3000112.7
391P43.9Very low39.7Very low106 Ų106142.4 Ų142.469%0.68878%0.784SS**  -164.116772.343.6-20.1000121.5
392T40.1Very low40.1Very low127 Ų127147.1 Ų147.178%0.77979%0.785SS**  trans54.8129.3138.952.60000124.5
393S42.2Very low40.2Very low109 Ų109152.6 Ų152.676%0.76279%0.79SS**  165.6129.894.5-168.90000115.5
394Q41.6Very low40.4Very low152 Ų152153.1 Ų153.171%0.7180%0.796SS**  trans24.2149.2147.7-56.3-157-1.600122.1
395R39.2Very low40.7Very low228 Ų228155.7 Ų155.786%0.8680%0.795SS**  cis-179.715236.9-143.6174.6-142.1-171-2.3110.1
396G39.1Very low41.4Very low66 Ų66164.3 Ų164.368%0.6881%0.814SS**  trans115.893.7135.800000122.1
397Y37.1Very low41.4Very low225 Ų225164.4 Ų164.488%0.88281%0.813SS**  trans14.7131.9139.8-73.3-95.9000122.5
398H42.2Very low41.8Very low173 Ų173161.3 Ų161.380%0.80181%0.812SS**  -179.6144.896.8-123.3-85.2000113.4
399S37.1Very low41.7Very low90 Ų90160.7 Ų160.763%0.62981%0.813SS**  trans-74149.8176.753.70000114.5
400N41.1Very low41.7Very low157 Ų157163.9 Ų163.984%0.8482%0.817SS**  trans-172.1128.2130.1-100.8-19.4000114.6
401T37.4Very low41.9Very low128 Ų128163.9 Ų163.979%0.78582%0.815SS**  trans-61.5140.9161.634.50000113.6
402R44Very low41.8Very low248 Ų248167.8 Ų167.894%0.93682%0.823SS**  trans-165.3132.5139.3-138.8176.5-87.4-170.6-5.7114.2
403Y38.3Very low41.9Very low227 Ų227170.7 Ų170.789%0.8983%0.826SS**  trans-54148.7161.4-86.9-108.3000113
404S47.3Very low41.9Very low120 Ų120175.5 Ų175.584%0.83983%0.831SS**  trans-169.5141.6132.1-163.60000112.8
405H46.5Very low41.9Very low166 Ų166177.4 Ų177.477%0.76984%0.841SS**  trans-40.3148.4173.9-86.4-106.5000118.1
406Y53.4Low42.1Very low301 Ų301172.8 Ų172.8100%1.1884%0.839SS**  -1360122.1-103.6-83.5000109.7

Retrieved 406 of 406 residues in 376.1 ms (Link to these results)

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