A0A674CSP9_SALTR Loading...

Epithelial membrane protein 3

Probably involved in cell proliferation and cell-cell interactions.

AlphaFold DB , UniProt , Accession A0A674CSP9, Species SALTR (Salmo trutta, Brown trout), Gene EMP3, Length 165 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
1M68.8Low86.9Confident126 Ų12681.2 Ų81.262%0.62141%0.406SS*.  0-47.80-71.5-48.7-127.100112.8Y3 L4 L5 K164M1-Y3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.44Å; M1-L5 PolarHBondContact O-N 3.15Å; M1-L5 VanDerWaalsContact O-N 3.11Å; M1-K164 HydrophobicContact CE-CB 3.81Å; M1-K164 HydrophobicContact CE-CD 3.68Å; M1-K164 HydrophobicContact CE-CG 3.58Å; M1-K164 HydrophobicContact CG-CB 4.38Å
2A78.6Confident87.6Confident69 Ų6974.4 Ų74.457%0.5737%0.372SS*.Hα-helixtrans-55.1-45.3178.100000113.8L4 L5 M6A2-L4 PolarHBondContact O-N 3.3Å; A2-L5 PolarHBondContact O-N 3.19Å; A2-M6 WeakPolarHBondContact O-CB 3.3Å; A2-M6 VanDerWaalsContact O-CG 3.3Å; A2-M6 WeakPolarHBondContact O-CG 3.38Å; A2-M6 PolarHBondContact O-N 3.27Å
3Y85.1Confident88.3Confident208 Ų20874.5 Ų74.582%0.81637%0.373SS*.Hα-helixtrans-59.9-40.6178-62.4-72.9000113.9M1 M6 F7M1-Y3 PolarHBondContact O-N 3.38Å; Y3-M6 PolarHBondContact O-N 3.37Å; Y3-F7 VanDerWaalsContact O-CB 3.28Å; Y3-F7 WeakPolarHBondContact O-CB 3.38Å; Y3-F7 PolarHBondContact O-N 2.88Å
4L86.1Confident89Confident71 Ų7176.3 Ų76.337%0.37238%0.383SS..Hα-helixtrans-67.1-42.2178.1-178.765000111M1 A2 F7 V8 M157 L161M1-L4 PolarHBondContact O-N 3.44Å; A2-L4 PolarHBondContact O-N 3.3Å; L4-F7 PolarHBondContact O-N 3.41Å; L4-V8 HydrophobicContact CD1-CG2 4.48Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.31Å; L4-V8 PolarHBondContact O-N 2.88Å; L4-M157 HydrophobicContact CD1-CE 3.88Å; L4-L161 HydrophobicContact CD2-CD2 3.44Å; L4-L161 VanDerWaalsContact CD2-CD2 3.44Å; L4-L161 HydrophobicContact CG-CD2 3.91Å
5L85.5Confident89.5Confident47 Ų4771.2 Ų71.225%0.24636%0.358CS..Hα-helixtrans-64.2-45.5176.5-172.677.1000111.4M1 A2 V8 T9 F84 L88M1-L5 PolarHBondContact O-N 3.15Å; M1-L5 VanDerWaalsContact O-N 3.11Å; A2-L5 PolarHBondContact O-N 3.19Å; L5-V8 PolarHBondContact O-N 2.87Å; L5-T9 WeakPolarHBondContact O-CB 3.46Å; L5-T9 PolarHBondContact O-N 3.36Å; L5-T9 PolarHBondContact O-OG1 3.29Å; L5-F84 HydrophobicContact CD1-CE2 3.9Å; L5-F84 HydrophobicContact CD1-CZ 3.57Å; L5-F84 HydrophobicContact CG-CZ 4.32Å; L5-L88 HydrophobicContact CD1-CD1 4.29Å; L5-L88 HydrophobicContact CD2-CD1 3.52Å; L5-L88 HydrophobicContact CD2-CD2 4.45Å; L5-L88 HydrophobicContact CG-CD1 4.46Å
6M87.8Confident90Very high113 Ų11368.6 Ų68.656%0.55735%0.345SS*.Hα-helixtrans-59.5-46.9175-73.1-60.8-64.600111.3A2 Y3 V8 T9 L10A2-M6 WeakPolarHBondContact O-CB 3.3Å; A2-M6 VanDerWaalsContact O-CG 3.3Å; A2-M6 WeakPolarHBondContact O-CG 3.38Å; A2-M6 PolarHBondContact O-N 3.27Å; Y3-M6 PolarHBondContact O-N 3.37Å; M6-V8 PolarHBondContact O-N 2.98Å; M6-T9 PolarHBondContact O-N 3.07Å; M6-L10 WeakPolarHBondContact O-CB 3.36Å; M6-L10 VanDerWaalsContact O-CG 3.3Å; M6-L10 WeakPolarHBondContact O-CG 3.28Å; M6-L10 PolarHBondContact O-N 3.35Å
7F91.3Very high90.4Very high116 Ų11667.6 Ų67.651%0.50935%0.35SS..Hα-helixtrans-57.5-49177174.3-99.1000111.8Y3 L4 T9 L10 L11 M157Y3-F7 VanDerWaalsContact O-CB 3.28Å; Y3-F7 WeakPolarHBondContact O-CB 3.38Å; Y3-F7 PolarHBondContact O-N 2.88Å; L4-F7 PolarHBondContact O-N 3.41Å; F7-T9 VanDerWaalsContact C-N 3.33Å; F7-T9 PolarHBondContact O-N 3.47Å; F7-L10 PolarHBondContact O-N 3.24Å; F7-L11 HydrophobicContact CE1-CD2 4.2Å; F7-L11 VanDerWaalsContact O-CB 3.26Å; F7-L11 WeakPolarHBondContact O-CB 3.01Å; F7-L11 PolarHBondContact O-N 3.12Å; F7-M157 HydrophobicContact CD1-CE 4.17Å; F7-M157 HydrophobicContact CE1-CE 4.1Å; F7-M157 HydrophobicContact CE1-SD 4.42Å
8V91.5Very high90.7Very high0 Ų065.6 Ų65.60%034%0.339CS..Hα-helixtrans-66.7-36.1-179.3171.50000111.8L4 L5 M6 L11 H12 M157 Y158 L161L4-V8 HydrophobicContact CD1-CG2 4.48Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.31Å; L4-V8 PolarHBondContact O-N 2.88Å; L5-V8 PolarHBondContact O-N 2.87Å; M6-V8 PolarHBondContact O-N 2.98Å; V8-L11 PolarHBondContact O-N 3.41Å; V8-H12 WeakPolarHBondContact O-CB 3.45Å; V8-H12 PolarHBondContact O-N 2.88Å; V8-M157 HydrophobicContact CG2-CE 3.45Å; V8-M157 VanDerWaalsContact CG2-CE 3.45Å; V8-M157 HydrophobicContact CG2-SD 4.25Å; V8-Y158 HydrophobicContact CG1-CD1 3.91Å; V8-Y158 HydrophobicContact CG1-CE1 3.3Å; V8-Y158 HydrophobicContact CG1-CE2 4.03Å; V8-Y158 HydrophobicContact CG1-CG 4.47Å; V8-L161 HydrophobicContact CB-CD1 4.33Å; V8-L161 HydrophobicContact CG1-CD1 4.05Å; V8-L161 HydrophobicContact CG2-CD1 4.05Å
9T91.6Very high91.1Very high25 Ų2562.2 Ų62.215%0.15332%0.321CS..Hα-helixtrans-65.3-46.5175.9-530000111.2L5 M6 F7 H12 L13 F81 F84L5-T9 WeakPolarHBondContact O-CB 3.46Å; L5-T9 PolarHBondContact O-N 3.36Å; L5-T9 PolarHBondContact O-OG1 3.29Å; M6-T9 PolarHBondContact O-N 3.07Å; F7-T9 VanDerWaalsContact C-N 3.33Å; F7-T9 PolarHBondContact O-N 3.47Å; T9-H12 PolarHBondContact O-N 2.95Å; T9-L13 WeakPolarHBondContact O-CG 3.26Å; T9-L13 PolarHBondContact O-N 2.8Å; T9-F81 HydrophobicContact CG2-CE2 4.3Å; T9-F84 HydrophobicContact CG2-CE1 4.19Å; T9-F84 VanDerWaalsContact OG1-CE1 3.28Å; T9-F84 WeakPolarHBondContact OG1-CE1 3.46Å
10L94.6Very high91.3Very high91 Ų9164.8 Ų64.848%0.47633%0.33SS..Hα-helixtrans-64.6-43.7176.7-71.3171.5000111.5M6 F7 H12 L13 I14M6-L10 WeakPolarHBondContact O-CB 3.36Å; M6-L10 VanDerWaalsContact O-CG 3.3Å; M6-L10 WeakPolarHBondContact O-CG 3.28Å; M6-L10 PolarHBondContact O-N 3.35Å; F7-L10 PolarHBondContact O-N 3.24Å; L10-H12 VanDerWaalsContact C-N 3.29Å; L10-H12 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-I14 WeakPolarHBondContact O-CB 3.49Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.13Å; L10-I14 PolarHBondContact O-N 3.34Å
11L95.1Very high91.5Very high27 Ų2765 Ų6514%0.14133%0.331CS..Hα-helixtrans-57-44.7175.6-17964.8000110.9F7 V8 T15 L150F7-L11 HydrophobicContact CE1-CD2 4.2Å; F7-L11 VanDerWaalsContact O-CB 3.26Å; F7-L11 WeakPolarHBondContact O-CB 3.01Å; F7-L11 PolarHBondContact O-N 3.12Å; V8-L11 PolarHBondContact O-N 3.41Å; L11-T15 WeakPolarHBondContact O-CB 3.34Å; L11-T15 PolarHBondContact O-N 3.3Å; L11-T15 PolarHBondContact O-OG1 2.97Å; L11-L150 HydrophobicContact CD1-CD2 4.09Å
12H95.8Very high92.7Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-61.7-51.7176.2-163.3152.4000111.3V8 T9 L10 I14 T15 L16 S77 S80 F81 Q104 Y158V8-H12 WeakPolarHBondContact O-CB 3.45Å; V8-H12 PolarHBondContact O-N 2.88Å; T9-H12 PolarHBondContact O-N 2.95Å; L10-H12 VanDerWaalsContact C-N 3.29Å; L10-H12 PolarHBondContact O-N 3.47Å; H12-I14 VanDerWaalsContact C-N 3.34Å; H12-I14 PolarHBondContact O-N 3Å; H12-T15 PolarHBondContact O-N 3.42Å; H12-T15 VanDerWaalsContact O-N 3.16Å; H12-L16 WeakPolarHBondContact O-CB 3.48Å; H12-L16 PolarHBondContact O-N 3.3Å; H12-S77 PolarHBondContact NE2-O 3.49Å; H12-S77 PolarHBondContact NE2-OG 3.33Å; H12-S77 VanDerWaalsContact NE2-OG 3.12Å; H12-S80 PolarHBondContact CE1-OG 3.04Å; H12-F81 PolarHBondContact CE1-N 3.31Å; H12-F81 VanDerWaalsContact CE1-N 3.32Å; H12-Q104 PolarHBondContact CD2-NE2 3.23Å; H12-Q104 PolarHBondContact CE1-OE1 3.48Å; H12-Q104 PolarHBondContact NE2-NE2 3.22Å; H12-Q104 PolarHBondContact NE2-OE1 2.89Å; H12-Q104 VanDerWaalsContact NE2-OE1 3.1Å; H12-Y158 WeakPolarHBondContact CB-OH 3.44Å; H12-Y158 AromaticContact ND1-CE2 3.46Å; H12-Y158 WeakPolarHBondContact ND1-CE2 3.46Å; H12-Y158 AromaticContact ND1-CZ 3.53Å; H12-Y158 PolarHBondContact ND1-OH 2.98Å
13L96.7Very high93.5Very high75 Ų7556 Ų5639%0.39328%0.277SS..Hα-helixtrans-57.8-44.8-180-76.5172.3000112.7T9 L10 L16 A17 F81T9-L13 WeakPolarHBondContact O-CG 3.26Å; T9-L13 PolarHBondContact O-N 2.8Å; L10-L13 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-A17 WeakPolarHBondContact O-CB 3.28Å; L13-A17 PolarHBondContact O-N 2.96Å; L13-F81 HydrophobicContact CD1-CZ 4.45Å; L13-F81 HydrophobicContact CD2-CD2 4.46Å; L13-F81 HydrophobicContact CD2-CE1 4Å; L13-F81 HydrophobicContact CD2-CE2 3.76Å; L13-F81 HydrophobicContact CD2-CZ 3.49Å; L13-F81 VanDerWaalsContact CD2-CZ 3.49Å; L13-F81 HydrophobicContact CG-CE2 3.89Å; L13-F81 HydrophobicContact CG-CZ 4.03Å
14I97.1Very high93.7Very high100 Ų10050.9 Ų50.951%0.51326%0.261SS..Hα-helixtrans-62.6-45.5177.6-68.7166.7000110.1L10 H12 A17 M18L10-I14 WeakPolarHBondContact O-CB 3.49Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.13Å; L10-I14 PolarHBondContact O-N 3.34Å; H12-I14 VanDerWaalsContact C-N 3.34Å; H12-I14 PolarHBondContact O-N 3Å; I14-A17 PolarHBondContact O-N 2.74Å; I14-M18 HydrophobicContact CG2-CE 3.78Å; I14-M18 HydrophobicContact CG2-SD 4.33Å; I14-M18 WeakPolarHBondContact O-CG 3.44Å; I14-M18 PolarHBondContact O-N 2.89Å
15T96.8Very high93.6Very high0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-65.1-41.1179.7-51.40000111.8L11 H12 M18 L19 C147 L150 L151L11-T15 WeakPolarHBondContact O-CB 3.34Å; L11-T15 PolarHBondContact O-N 3.3Å; L11-T15 PolarHBondContact O-OG1 2.97Å; H12-T15 PolarHBondContact O-N 3.42Å; H12-T15 VanDerWaalsContact O-N 3.16Å; T15-M18 PolarHBondContact O-N 2.86Å; T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.35Å; T15-L19 PolarHBondContact O-N 2.86Å; T15-C147 HydrophobicContact CG2-CB 4.37Å; T15-L150 HydrophobicContact CG2-CB 3.88Å; T15-L151 HydrophobicContact CG2-CD2 3.51Å; T15-L151 HydrophobicContact CG2-CG 3.54Å
16L97.4Very high93.1Very high30 Ų3053.7 Ų53.716%0.15727%0.27CS..Hα-helixtrans-63.9-42.7176.3-179.861.3000111.6H12 L13 L19 F20H12-L16 WeakPolarHBondContact O-CB 3.48Å; H12-L16 PolarHBondContact O-N 3.3Å; L13-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.43Å; L16-F20 PolarHBondContact O-N 3.26Å
17A97.4Very high93.1Very high51 Ų5148.9 Ų48.942%0.42125%0.247SC..Hα-helixtrans-63.4-45.9175.900000111.8L13 I14 L19 F20 I21L13-A17 WeakPolarHBondContact O-CB 3.28Å; L13-A17 PolarHBondContact O-N 2.96Å; I14-A17 PolarHBondContact O-N 2.74Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 2.93Å; A17-F20 PolarHBondContact O-N 2.94Å; A17-I21 VanDerWaalsContact O-CG1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.43Å; A17-I21 PolarHBondContact O-N 3.09Å
18M96.4Very high93Very high32 Ų3243.3 Ų43.316%0.15822%0.223CC..Hα-helixtrans-60.9-39.5175.8-72.4-174-61.100112.1I14 T15 I21 A22 L143 C147 L150I14-M18 HydrophobicContact CG2-CE 3.78Å; I14-M18 HydrophobicContact CG2-SD 4.33Å; I14-M18 WeakPolarHBondContact O-CG 3.44Å; I14-M18 PolarHBondContact O-N 2.89Å; T15-M18 PolarHBondContact O-N 2.86Å; M18-I21 PolarHBondContact O-N 3.42Å; M18-A22 VanDerWaalsContact O-CB 3.29Å; M18-A22 WeakPolarHBondContact O-CB 3.46Å; M18-A22 PolarHBondContact O-N 3.5Å; M18-L143 HydrophobicContact CG-CD2 4.22Å; M18-L143 HydrophobicContact SD-CD2 4.1Å; M18-C147 WeakPolarHBondContact CB-SG 3.44Å; M18-L150 HydrophobicContact CE-CD1 3.34Å
19L96.7Very high92.8Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-68.1-38178.2-170.471000112.1T15 L16 A17 A22 T23 M70 S73 V74 A111 C147 L151T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.35Å; T15-L19 PolarHBondContact O-N 2.86Å; L16-L19 PolarHBondContact O-N 3.43Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 2.93Å; L19-A22 PolarHBondContact O-N 3.27Å; L19-T23 WeakPolarHBondContact O-CB 3.2Å; L19-T23 PolarHBondContact O-N 2.91Å; L19-T23 PolarHBondContact O-OG1 3.49Å; L19-M70 HydrophobicContact CD1-CE 3.9Å; L19-S73 VanDerWaalsContact CD2-OG 3.29Å; L19-S73 WeakPolarHBondContact CD2-OG 3.45Å; L19-V74 HydrophobicContact CD2-CB 4.37Å; L19-V74 HydrophobicContact CD2-CG2 3.84Å; L19-V74 HydrophobicContact CG-CG2 3.73Å; L19-A111 HydrophobicContact CD1-CB 4.18Å; L19-C147 HydrophobicContact CD1-CB 4.29Å; L19-L151 HydrophobicContact CD1-CD1 4.41Å; L19-L151 HydrophobicContact CD2-CD1 4.37Å
20F95.8Very high92.6Very high115 Ų11543.8 Ų43.850%0.50423%0.225SC..Hα-helixtrans-64.6-46.3173.8-164.8-94.3000111.3L16 A17 T23 M24 V74L16-F20 PolarHBondContact O-N 3.26Å; A17-F20 PolarHBondContact O-N 2.94Å; F20-T23 PolarHBondContact O-N 3.07Å; F20-T23 VanDerWaalsContact O-N 3.09Å; F20-M24 HydrophobicContact CD1-CG 4.11Å; F20-M24 HydrophobicContact CE1-CB 4.5Å; F20-M24 HydrophobicContact CE1-CG 3.82Å; F20-M24 HydrophobicContact CE2-CG 4.38Å; F20-M24 HydrophobicContact CZ-CG 3.97Å; F20-M24 WeakPolarHBondContact O-CB 3.49Å; F20-M24 WeakPolarHBondContact O-CG 3.47Å; F20-M24 PolarHBondContact O-N 2.86Å; F20-V74 HydrophobicContact CD2-CG1 4.25Å
21I95.6Very high92Very high69 Ų6941 Ų4135%0.35421%0.208SC..Hα-helixtrans-57.4-51.7174.2-69.6166.2000109.7A17 M18 T23 M24 E25 Y139 L143A17-I21 VanDerWaalsContact O-CG1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 3.43Å; A17-I21 PolarHBondContact O-N 3.09Å; M18-I21 PolarHBondContact O-N 3.42Å; I21-T23 PolarHBondContact O-N 3.36Å; I21-T23 VanDerWaalsContact O-N 3.09Å; I21-M24 PolarHBondContact O-N 2.89Å; I21-M24 VanDerWaalsContact O-N 3.13Å; I21-E25 HydrophobicContact CG2-CB 4.19Å; I21-E25 HydrophobicContact CG2-CG 3.96Å; I21-E25 WeakPolarHBondContact O-CB 3.12Å; I21-E25 PolarHBondContact O-N 3.25Å; I21-Y139 HydrophobicContact CG2-CE2 4.07Å; I21-L143 HydrophobicContact CG2-CD1 3.73Å
22A95.1Very high90.9Very high0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-61.3-20.9178.700000113.3M18 L19 W28 M70 C140 L143 A144M18-A22 VanDerWaalsContact O-CB 3.29Å; M18-A22 WeakPolarHBondContact O-CB 3.46Å; M18-A22 PolarHBondContact O-N 3.5Å; L19-A22 PolarHBondContact O-N 3.27Å; A22-W28 PolarHBondContact O-NE1 3.32Å; A22-M70 HydrophobicContact CB-CE 4.12Å; A22-C140 WeakPolarHBondContact CB-O 3.28Å; A22-L143 HydrophobicContact CB-CB 4.14Å; A22-A144 HydrophobicContact CB-CB 4.25Å
23T93.8Very high89.3Confident6 Ų648.6 Ų48.64%0.03726%0.262CS..Hα-helixtrans-90.9-26.6177.9-53.60000112.6L19 F20 I21 W40 M70 V71 V74L19-T23 WeakPolarHBondContact O-CB 3.2Å; L19-T23 PolarHBondContact O-N 2.91Å; L19-T23 PolarHBondContact O-OG1 3.49Å; F20-T23 PolarHBondContact O-N 3.07Å; F20-T23 VanDerWaalsContact O-N 3.09Å; I21-T23 PolarHBondContact O-N 3.36Å; I21-T23 VanDerWaalsContact O-N 3.09Å; T23-W40 PolarHBondContact O-NE1 3.25Å; T23-M70 HydrophobicContact CG2-CB 4.05Å; T23-M70 WeakPolarHBondContact OG1-CE 3.39Å; T23-V71 HydrophobicContact CG2-CG2 4.38Å; T23-V74 WeakPolarHBondContact OG1-CG2 3.46Å
24M89Confident87.8Confident100 Ų10049.7 Ų49.749%0.49327%0.266SS..Hα-helixtrans-114.5-24.6-166.9-65.1-65.1-64.100114.6F20 I21F20-M24 HydrophobicContact CD1-CG 4.11Å; F20-M24 HydrophobicContact CE1-CB 4.5Å; F20-M24 HydrophobicContact CE1-CG 3.82Å; F20-M24 HydrophobicContact CE2-CG 4.38Å; F20-M24 HydrophobicContact CZ-CG 3.97Å; F20-M24 WeakPolarHBondContact O-CB 3.49Å; F20-M24 WeakPolarHBondContact O-CG 3.47Å; F20-M24 PolarHBondContact O-N 2.86Å; I21-M24 PolarHBondContact O-N 2.89Å; I21-M24 VanDerWaalsContact O-N 3.13Å
25E84.8Confident86.4Confident92 Ų9247.1 Ų47.143%0.4325%0.252SS..SBendtrans-89.3146.6-175.5-79.8-64.9162.500113.5I21 S27 D38 Y139 C140I21-E25 HydrophobicContact CG2-CB 4.19Å; I21-E25 HydrophobicContact CG2-CG 3.96Å; I21-E25 WeakPolarHBondContact O-CB 3.12Å; I21-E25 PolarHBondContact O-N 3.25Å; E25-S27 PolarHBondContact O-N 3.21Å; E25-D38 VanDerWaalsContact O-OD2 3.13Å; E25-Y139 VanDerWaalsContact CB-OH 3.32Å; E25-Y139 WeakPolarHBondContact CB-OH 3.37Å; E25-C140 VanDerWaalsContact CB-SG 3.57Å; E25-C140 PolarHBondContact O-SG 3.06Å
26K76Confident85.1Confident86 Ų8649.1 Ų49.137%0.37426%0.263SS..SBendtrans-88.168.8-165.6-55.3-176.8-164.666.70114D38K26-D38 VanDerWaalsContact CA-CG 3.49Å; K26-D38 WeakPolarHBondContact CA-OD2 3.46Å; K26-D38 HydrophobicContact CB-CB 3.94Å; K26-D38 HydrophobicContact CG-CB 4.05Å
27S86.3Confident83.9Confident11 Ų1147.9 Ų47.98%0.07726%0.257CS..  trans-160.552-179.8-161.50000113.8E25 V30 G138 Y139 C140E25-S27 PolarHBondContact O-N 3.21Å; S27-V30 WeakPolarHBondContact OG-CG2 3.44Å; S27-G138 CarbonylContact O-C 3.09Å; S27-G138 WeakPolarHBondContact O-CA 3.49Å; S27-Y139 PolarHBondContact O-N 3.41Å; S27-Y139 VanDerWaalsContact OG-CD1 3.26Å; S27-Y139 WeakPolarHBondContact OG-CD1 3.47Å; S27-Y139 PolarHBondContact OG-N 3.36Å; S27-C140 VanDerWaalsContact O-CB 3.3Å; S27-C140 WeakPolarHBondContact O-CB 3.43Å; S27-C140 PolarHBondContact O-N 2.96Å
28W89.1Confident82.8Confident0 Ų045.5 Ų45.50%024%0.237CC..SBendtrans-80.6-37.2168.3-86.765.4000111.7A22 S37 L39 V66 M70 Y118 G138 C140 F141 A144A22-W28 PolarHBondContact O-NE1 3.32Å; W28-S37 PolarHBondContact N-O 2.78Å; W28-L39 HydrophobicContact CD2-CD1 4.31Å; W28-L39 HydrophobicContact CD2-CD2 4.14Å; W28-L39 HydrophobicContact CD2-CG 3.98Å; W28-L39 HydrophobicContact CE3-CD2 4.29Å; W28-L39 HydrophobicContact CG-CG 4.15Å; W28-L39 HydrophobicContact CH2-CD2 4.42Å; W28-L39 HydrophobicContact CZ2-CD1 3.68Å; W28-L39 HydrophobicContact CZ2-CD2 4.29Å; W28-L39 HydrophobicContact CZ2-CG 4.2Å; W28-L39 HydrophobicContact CZ3-CD2 4.42Å; W28-V66 HydrophobicContact CH2-CG1 3.86Å; W28-V66 HydrophobicContact CZ3-CG1 3.81Å; W28-M70 HydrophobicContact CH2-CG 3.99Å; W28-M70 HydrophobicContact CH2-SD 3.85Å; W28-M70 HydrophobicContact CZ2-CE 3.94Å; W28-M70 HydrophobicContact CZ2-CG 3.91Å; W28-M70 HydrophobicContact CZ2-SD 3.85Å; W28-Y118 HydrophobicContact CB-CE1 4.45Å; W28-Y118 HydrophobicContact CB-CE2 4.38Å; W28-Y118 AromaticContact CE3-CD1 3.72Å; W28-Y118 HydrophobicContact CE3-CD1 3.72Å; W28-Y118 AromaticContact CE3-CD2 3.53Å; W28-Y118 HydrophobicContact CE3-CD2 3.53Å; W28-Y118 AromaticContact CE3-CE1 3.92Å; W28-Y118 HydrophobicContact CE3-CE1 3.92Å; W28-Y118 AromaticContact CE3-CE2 3.73Å; W28-Y118 HydrophobicContact CE3-CE2 3.73Å; W28-Y118 AromaticContact CE3-CG 3.52Å; W28-Y118 HydrophobicContact CE3-CG 3.52Å; W28-Y118 AromaticContact CE3-CZ 3.93Å; W28-Y118 HydrophobicContact CZ3-CD1 4.1Å; W28-Y118 AromaticContact CZ3-CD2 3.82Å; W28-Y118 HydrophobicContact CZ3-CD2 3.82Å; W28-Y118 HydrophobicContact CZ3-CE2 4.47Å; W28-Y118 AromaticContact CZ3-CG 3.61Å; W28-Y118 HydrophobicContact CZ3-CG 3.61Å; W28-G138 PolarHBondContact O-N 2.94Å; W28-C140 HydrophobicContact CG-CB 4.39Å; W28-F141 HydrophobicContact CD2-CB 4.4Å; W28-F141 HydrophobicContact CE3-CB 4.3Å; W28-F141 AromaticContact CE3-CD2 3.98Å; W28-F141 HydrophobicContact CE3-CD2 3.98Å; W28-F141 HydrophobicContact CZ3-CD2 4.04Å; W28-A144 HydrophobicContact CH2-CB 4.21Å; W28-A144 HydrophobicContact CZ2-CB 4.17Å
29W88.3Confident82Confident10 Ų1044 Ų444%0.03823%0.23CC..EExtended strand (participates in β ladder)trans-137.9139.1173.9-171.8-88.6000110.8W31 S37 Y118 L126 L132 G135 F137W29-W31 AromaticContact CD1-CD2 3.53Å; W29-W31 AromaticContact CD1-CE2 3.3Å; W29-W31 AromaticContact CD1-CE3 3.76Å; W29-W31 AromaticContact CD1-CH2 3.63Å; W29-W31 AromaticContact CD1-CZ2 3.35Å; W29-W31 AromaticContact CD1-CZ3 3.83Å; W29-W31 AromaticContact CD1-NE1 3.86Å; W29-W31 HydrophobicContact CG-CZ2 4.41Å; W29-W31 AromaticContact NE1-CD1 3.79Å; W29-W31 AromaticContact NE1-CD2 3.68Å; W29-W31 AromaticContact NE1-CE2 3.2Å; W29-W31 AromaticContact NE1-CZ2 3.56Å; W29-W31 AromaticContact NE1-NE1 3.25Å; W29-S37 PolarHBondContact N-O 3.33Å; W29-S37 PolarHBondContact O-N 2.9Å; W29-S37 VanDerWaalsContact O-O 3.1Å; W29-Y118 WeakPolarHBondContact CB-OH 3.36Å; W29-L126 HydrophobicContact CB-CD1 4.37Å; W29-L126 HydrophobicContact CB-CD2 4.36Å; W29-L126 HydrophobicContact CD2-CD1 3.54Å; W29-L126 HydrophobicContact CE3-CD1 4.01Å; W29-L126 HydrophobicContact CG-CD1 3.7Å; W29-L126 HydrophobicContact CG-CD2 4.34Å; W29-L126 HydrophobicContact CZ2-CD1 4.29Å; W29-L132 HydrophobicContact CH2-CD1 4.46Å; W29-L132 HydrophobicContact CH2-CG 4.24Å; W29-L132 HydrophobicContact CZ2-CD1 4.18Å; W29-L132 HydrophobicContact CZ2-CG 4.02Å; W29-G135 WeakPolarHBondContact CZ2-O 3.39Å; W29-F137 AromaticContact CE3-CD1 3.95Å; W29-F137 HydrophobicContact CE3-CD1 3.95Å; W29-F137 HydrophobicContact CE3-CE1 4.15Å; W29-F137 HydrophobicContact CE3-CG 4.36Å; W29-F137 AromaticContact CZ3-CD1 3.95Å; W29-F137 HydrophobicContact CZ3-CD1 3.95Å; W29-F137 HydrophobicContact CZ3-CD2 4.27Å; W29-F137 AromaticContact CZ3-CE1 3.9Å; W29-F137 HydrophobicContact CZ3-CE1 3.9Å; W29-F137 HydrophobicContact CZ3-CE2 4.22Å; W29-F137 HydrophobicContact CZ3-CG 4.15Å; W29-F137 HydrophobicContact CZ3-CZ 4.04Å
30V86.6Confident81.4Confident25 Ų2547.6 Ų47.615%0.15224%0.243CC..EExtended strand (participates in β ladder)trans-128.2130.3-177176.60000108.5S27 G135 H136S27-V30 WeakPolarHBondContact OG-CG2 3.44Å; V30-G135 CarbonylContact O-C 3.49Å; V30-G135 WeakPolarHBondContact O-CA 3.37Å; V30-H136 PolarHBondContact N-O 2.82Å; V30-H136 PolarHBondContact O-N 3.47Å
31W83.1Confident80.8Confident31 Ų3147.5 Ų47.512%0.11724%0.24CC..EExtended strand (participates in β ladder)trans-99.1150.3170.9-68.6-87.3000110.9W29 G33 E35 S37 L126 K131 E134W29-W31 AromaticContact CD1-CD2 3.53Å; W29-W31 AromaticContact CD1-CE2 3.3Å; W29-W31 AromaticContact CD1-CE3 3.76Å; W29-W31 AromaticContact CD1-CH2 3.63Å; W29-W31 AromaticContact CD1-CZ2 3.35Å; W29-W31 AromaticContact CD1-CZ3 3.83Å; W29-W31 AromaticContact CD1-NE1 3.86Å; W29-W31 HydrophobicContact CG-CZ2 4.41Å; W29-W31 AromaticContact NE1-CD1 3.79Å; W29-W31 AromaticContact NE1-CD2 3.68Å; W29-W31 AromaticContact NE1-CE2 3.2Å; W29-W31 AromaticContact NE1-CZ2 3.56Å; W29-W31 AromaticContact NE1-NE1 3.25Å; W31-G33 PolarHBondContact O-N 2.96Å; W31-E35 HydrophobicContact CB-CB 4.28Å; W31-E35 HydrophobicContact CE3-CB 3.91Å; W31-E35 PolarHBondContact N-O 3.28Å; W31-S37 VanDerWaalsContact CH2-CB 3.46Å; W31-L126 HydrophobicContact CH2-CD2 3.78Å; W31-L126 HydrophobicContact CZ2-CD1 4.37Å; W31-L126 HydrophobicContact CZ2-CD2 3.98Å; W31-K131 PolarHBondContact NE1-O 3.16Å; W31-E134 WeakPolarHBondContact CA-O 3.29Å
32D71.5Confident80.2Confident130 Ų13046.8 Ų46.870%0.69524%0.238SC*.THydrogen-bonded Turntrans-61.5-13.8-176.2-72.4-21.8000113.8E134 H136D32-E134 PolarHBondContact N-O 3.09Å; D32-H136 IonicContact OD1-ND1 3.86Å
33G62.2Low79.5Confident58 Ų5847.4 Ų47.460%0.59824%0.241SC*.THydrogen-bonded Turntrans-106.234.2-17500000116.5W31 E35W31-G33 PolarHBondContact O-N 2.96Å; G33-E35 PolarHBondContact O-N 2.99Å
34M64.3Low79Confident97 Ų9753.8 Ų53.848%0.47827%0.265SS..THydrogen-bonded Turntrans66.125.3175.4-129.4174.1-62.200113.5F45 W52M34-F45 HydrophobicContact CB-CB 3.73Å; M34-F45 HydrophobicContact CG-CB 3.8Å; M34-F45 HydrophobicContact CG-CG 4.23Å; M34-F45 PolarHBondContact O-N 3.3Å; M34-F45 HydrophobicContact SD-CB 3.81Å; M34-F45 HydrophobicContact SD-CD1 3.57Å; M34-F45 VanDerWaalsContact SD-CD1 3.57Å; M34-F45 HydrophobicContact SD-CD2 4.17Å; M34-F45 HydrophobicContact SD-CE1 4.16Å; M34-F45 HydrophobicContact SD-CG 3.57Å; M34-F45 VanDerWaalsContact SD-CG 3.57Å; M34-W52 HydrophobicContact CB-CH2 4.47Å; M34-W52 HydrophobicContact CG-CH2 3.74Å; M34-W52 HydrophobicContact CG-CZ2 3.99Å; M34-W52 WeakPolarHBondContact O-CZ3 3.29Å
35E67.3Low78.5Confident46 Ų4651.7 Ų51.722%0.21525%0.253CS..EExtended strand (participates in β ladder)trans-106.1129.3166.8-54.5-164.112400108.7W31 G33 C43 R44 K131W31-E35 HydrophobicContact CB-CB 4.28Å; W31-E35 HydrophobicContact CE3-CB 3.91Å; W31-E35 PolarHBondContact N-O 3.28Å; G33-E35 PolarHBondContact O-N 2.99Å; E35-C43 CarbonylContact C-O 3.56Å; E35-C43 WeakPolarHBondContact CA-O 3.5Å; E35-R44 HydrophobicContact CB-CB 4.38Å; E35-R44 HydrophobicContact CG-CB 3.73Å; E35-R44 VanDerWaalsContact OE1-CB 3.3Å; E35-R44 WeakPolarHBondContact OE1-CB 3.39Å; E35-K131 IonicContact OE1-NZ 3.72Å; E35-K131 IonicContact OE2-NZ 2.77Å; E35-K131 PolarHBondContact OE2-NZ 2.75Å
36N71.2Confident78.2Confident43 Ų4349.2 Ų49.223%0.2324%0.243CC..EExtended strand (participates in β ladder)trans-123.6131.4176.1-64.4-8.9000108.9C43N36-C43 PolarHBondContact N-O 3.48Å; N36-C43 PolarHBondContact O-N 2.86Å
37S71.8Confident78.4Confident4 Ų451.6 Ų51.63%0.02826%0.26CS..EExtended strand (participates in β ladder)trans-107136.5171176.20000110.5W28 W29 W31 N42W28-S37 PolarHBondContact N-O 2.78Å; W29-S37 PolarHBondContact N-O 3.33Å; W29-S37 PolarHBondContact O-N 2.9Å; W29-S37 VanDerWaalsContact O-O 3.1Å; W31-S37 VanDerWaalsContact CH2-CB 3.46Å; S37-N42 WeakPolarHBondContact CA-OD1 3.24Å; S37-N42 WeakPolarHBondContact CB-OD1 3.21Å; S37-N42 PolarHBondContact OG-OD1 3.4Å
38D74.6Confident78.1Confident1 Ų158.5 Ų58.51%0.00530%0.296CS..  trans-119.9174.1172-164.714.4000110.8E25 K26 W40 Y41E25-D38 VanDerWaalsContact O-OD2 3.13Å; K26-D38 VanDerWaalsContact CA-CG 3.49Å; K26-D38 WeakPolarHBondContact CA-OD2 3.46Å; K26-D38 HydrophobicContact CB-CB 3.94Å; K26-D38 HydrophobicContact CG-CB 4.05Å; D38-W40 PolarHBondContact O-N 2.91Å; D38-Y41 WeakPolarHBondContact CB-O 3.42Å; D38-Y41 PolarHBondContact N-O 3.28Å
39L78.2Confident77.7Confident0 Ų062.5 Ų62.50%032%0.32CS..SBendtrans-51.4-40.5169.6-69.9168.8000112.3W28 L63 V66 Q67 M70W28-L39 HydrophobicContact CD2-CD1 4.31Å; W28-L39 HydrophobicContact CD2-CD2 4.14Å; W28-L39 HydrophobicContact CD2-CG 3.98Å; W28-L39 HydrophobicContact CE3-CD2 4.29Å; W28-L39 HydrophobicContact CG-CG 4.15Å; W28-L39 HydrophobicContact CH2-CD2 4.42Å; W28-L39 HydrophobicContact CZ2-CD1 3.68Å; W28-L39 HydrophobicContact CZ2-CD2 4.29Å; W28-L39 HydrophobicContact CZ2-CG 4.2Å; W28-L39 HydrophobicContact CZ3-CD2 4.42Å; L39-L63 HydrophobicContact CD2-CD1 4.12Å; L39-V66 HydrophobicContact CD2-CB 4.15Å; L39-V66 HydrophobicContact CD2-CG1 3.43Å; L39-V66 VanDerWaalsContact CD2-CG1 3.43Å; L39-Q67 HydrophobicContact CB-CG 4.23Å; L39-Q67 HydrophobicContact CD2-CG 4.4Å; L39-Q67 PolarHBondContact O-NE2 3.38Å; L39-M70 HydrophobicContact CD1-CB 4.45Å; L39-M70 HydrophobicContact CD1-CG 4.1Å
40W85.5Confident77.3Confident75 Ų7564.3 Ų64.328%0.28434%0.342SS..SBendtrans-106.7-33-169.2-53.3102.3000114.2T23 D38 S57 Q67 V71T23-W40 PolarHBondContact O-NE1 3.25Å; D38-W40 PolarHBondContact O-N 2.91Å; W40-S57 PolarHBondContact O-N 3.47Å; W40-Q67 HydrophobicContact CE3-CG 4.31Å; W40-Q67 HydrophobicContact CH2-CB 3.9Å; W40-Q67 HydrophobicContact CH2-CG 4.06Å; W40-Q67 HydrophobicContact CZ2-CB 4.34Å; W40-Q67 HydrophobicContact CZ2-CG 4.35Å; W40-Q67 HydrophobicContact CZ3-CB 4.24Å; W40-Q67 HydrophobicContact CZ3-CG 4.03Å; W40-V71 HydrophobicContact CH2-CG2 4.16Å; W40-V71 HydrophobicContact CZ2-CG2 4.01Å
41Y82.7Confident77.1Confident113 Ų11366.3 Ų66.344%0.44335%0.354SS..EExtended strand (participates in β ladder)trans-140.2144.2-170.9-61.3-82.7000111.3D38 A55D38-Y41 WeakPolarHBondContact CB-O 3.42Å; D38-Y41 PolarHBondContact N-O 3.28Å; Y41-A55 CarbonylContact C-O 3.53Å; Y41-A55 VanDerWaalsContact CA-O 3.29Å; Y41-A55 WeakPolarHBondContact CA-O 3.29Å
42N82Confident76.9Confident55 Ų5571.1 Ų71.129%0.29437%0.372SS..EExtended strand (participates in β ladder)trans-105.9121.7167.3-65.2-40.9000108.1S37 C54 A55 S57S37-N42 WeakPolarHBondContact CA-OD1 3.24Å; S37-N42 WeakPolarHBondContact CB-OD1 3.21Å; S37-N42 PolarHBondContact OG-OD1 3.4Å; N42-C54 WeakPolarHBondContact O-CA 3.37Å; N42-A55 PolarHBondContact N-O 2.93Å; N42-A55 PolarHBondContact O-N 3.43Å; N42-S57 WeakPolarHBondContact ND2-CA 3.47Å; N42-S57 PolarHBondContact ND2-OG 3.34Å
43C81.6Confident77.4Confident12 Ų1268.2 Ų68.28%0.08136%0.357CS..EExtended strand (participates in β ladder)trans-113.6130.8178.5-640000109.7E35 N36 W52 L53 C54E35-C43 CarbonylContact C-O 3.56Å; E35-C43 WeakPolarHBondContact CA-O 3.5Å; N36-C43 PolarHBondContact N-O 3.48Å; N36-C43 PolarHBondContact O-N 2.86Å; C43-W52 HydrophobicContact CB-CE3 4.23Å; C43-L53 CarbonylContact C-O 3.6Å; C43-L53 WeakPolarHBondContact CA-O 3.37Å; C43-C54 HydrophobicContact CB-CB 4.19Å; C43-C54 WeakPolarHBondContact CB-SG 3.17Å; C43-C54 WeakPolarHBondContact SG-CB 3.47Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 3.29Å
44R82.1Confident78.4Confident140 Ų14068.9 Ų68.953%0.52835%0.351SS..EExtended strand (participates in β ladder)trans-124.9139.4174.663.1-176.7-175.6-173.92.8110E35 L53E35-R44 HydrophobicContact CB-CB 4.38Å; E35-R44 HydrophobicContact CG-CB 3.73Å; E35-R44 VanDerWaalsContact OE1-CB 3.3Å; E35-R44 WeakPolarHBondContact OE1-CB 3.39Å; R44-L53 HydrophobicContact CG-CB 4.07Å; R44-L53 PolarHBondContact N-O 3.46Å; R44-L53 PolarHBondContact O-N 2.79Å
45F79.2Confident79.2Confident56 Ų5667.3 Ų67.325%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-78.4124.5170.2-167.1-106.4000109.6M34 N47 W52M34-F45 HydrophobicContact CB-CB 3.73Å; M34-F45 HydrophobicContact CG-CB 3.8Å; M34-F45 HydrophobicContact CG-CG 4.23Å; M34-F45 PolarHBondContact O-N 3.3Å; M34-F45 HydrophobicContact SD-CB 3.81Å; M34-F45 HydrophobicContact SD-CD1 3.57Å; M34-F45 VanDerWaalsContact SD-CD1 3.57Å; M34-F45 HydrophobicContact SD-CD2 4.17Å; M34-F45 HydrophobicContact SD-CE1 4.16Å; M34-F45 HydrophobicContact SD-CG 3.57Å; M34-F45 VanDerWaalsContact SD-CG 3.57Å; F45-N47 WeakPolarHBondContact CD1-OD1 3.4Å; F45-W52 HydrophobicContact CB-CD2 4.43Å; F45-W52 HydrophobicContact CB-CE3 4.3Å; F45-W52 HydrophobicContact CB-CH2 4.31Å; F45-W52 HydrophobicContact CB-CZ2 4.42Å; F45-W52 HydrophobicContact CB-CZ3 4.24Å; F45-W52 AromaticContact CD2-CD1 3.88Å; F45-W52 AromaticContact CD2-CD2 3.93Å; F45-W52 HydrophobicContact CD2-CD2 3.93Å; F45-W52 AromaticContact CD2-CE2 3.65Å; F45-W52 HydrophobicContact CD2-CG 4.09Å; F45-W52 HydrophobicContact CD2-CZ2 4.13Å; F45-W52 AromaticContact CD2-NE1 3.59Å; F45-W52 AromaticContact CE2-NE1 3.93Å
46D79.4Confident79.8Confident41 Ų4168.9 Ų68.922%0.21937%0.37CS..EExtended strand (participates in β ladder)trans-91.5109.4175.5-178.723.6000109.8D48 T49 G50 T51 L53D46-D48 PolarHBondContact O-N 3.16Å; D46-D48 PolarHBondContact OD1-N 3.35Å; D46-T49 WeakPolarHBondContact CB-OG1 3.5Å; D46-T49 VanDerWaalsContact CG-OG1 3.3Å; D46-T49 PolarHBondContact O-N 3.33Å; D46-T49 WeakPolarHBondContact OD2-CB 3.35Å; D46-T49 WeakPolarHBondContact OD2-CG2 3.37Å; D46-T49 PolarHBondContact OD2-OG1 3.18Å; D46-G50 WeakPolarHBondContact O-CA 3.49Å; D46-G50 PolarHBondContact O-N 3.44Å; D46-T51 PolarHBondContact N-O 3.25Å; D46-T51 PolarHBondContact O-N 2.9Å; D46-L53 HydrophobicContact CB-CD1 3.72Å; D46-L53 HydrophobicContact CB-CG 4.12Å
47N78.9Confident80.1Confident136 Ų13667.3 Ų67.373%0.72736%0.362SS*.THydrogen-bonded Turntrans-65.4-25.6-178.8-78.3-29000112.9F45F45-N47 WeakPolarHBondContact CD1-OD1 3.4Å
48D80.9Confident80.3Confident155 Ų15573.9 Ų73.983%0.82939%0.39SS*.THydrogen-bonded Turntrans-78.4-36.7-177.6-70-29.1000111.9D46D46-D48 PolarHBondContact O-N 3.16Å; D46-D48 PolarHBondContact OD1-N 3.35Å
49T80.8Confident80.3Confident85 Ų8579.7 Ų79.752%0.52142%0.417SS..THydrogen-bonded Turntrans-99.6-14.4178.961.70000113.8D46 T51D46-T49 WeakPolarHBondContact CB-OG1 3.5Å; D46-T49 VanDerWaalsContact CG-OG1 3.3Å; D46-T49 PolarHBondContact O-N 3.33Å; D46-T49 WeakPolarHBondContact OD2-CB 3.35Å; D46-T49 WeakPolarHBondContact OD2-CG2 3.37Å; D46-T49 PolarHBondContact OD2-OG1 3.18Å; T49-T51 PolarHBondContact O-N 2.97Å; T49-T51 PolarHBondContact OG1-OG1 3.21Å
50G80.1Confident80.6Confident47 Ų4780.3 Ų80.349%0.48542%0.421SS..THydrogen-bonded Turntrans6722.6-173.700000113.4D46D46-G50 WeakPolarHBondContact O-CA 3.49Å; D46-G50 PolarHBondContact O-N 3.44Å
51T82Confident80.9Confident68 Ų6884.5 Ų84.542%0.41744%0.444SS..EExtended strand (participates in β ladder)trans-118.8156.1-17667.20000112.8D46 T49D46-T51 PolarHBondContact N-O 3.25Å; D46-T51 PolarHBondContact O-N 2.9Å; T49-T51 PolarHBondContact O-N 2.97Å; T49-T51 PolarHBondContact OG1-OG1 3.21Å
52W79.4Confident81.3Confident131 Ų13183.2 Ų83.250%0.49644%0.438SS..EExtended strand (participates in β ladder)trans-86117.5173.1-74.491.3000110.3M34 C43 F45M34-W52 HydrophobicContact CB-CH2 4.47Å; M34-W52 HydrophobicContact CG-CH2 3.74Å; M34-W52 HydrophobicContact CG-CZ2 3.99Å; M34-W52 WeakPolarHBondContact O-CZ3 3.29Å; C43-W52 HydrophobicContact CB-CE3 4.23Å; F45-W52 HydrophobicContact CB-CD2 4.43Å; F45-W52 HydrophobicContact CB-CE3 4.3Å; F45-W52 HydrophobicContact CB-CH2 4.31Å; F45-W52 HydrophobicContact CB-CZ2 4.42Å; F45-W52 HydrophobicContact CB-CZ3 4.24Å; F45-W52 AromaticContact CD2-CD1 3.88Å; F45-W52 AromaticContact CD2-CD2 3.93Å; F45-W52 HydrophobicContact CD2-CD2 3.93Å; F45-W52 AromaticContact CD2-CE2 3.65Å; F45-W52 HydrophobicContact CD2-CG 4.09Å; F45-W52 HydrophobicContact CD2-CZ2 4.13Å; F45-W52 AromaticContact CD2-NE1 3.59Å; F45-W52 AromaticContact CE2-NE1 3.93Å
53L82.2Confident81.8Confident70 Ų7080.7 Ų80.737%0.36643%0.425SS..EExtended strand (participates in β ladder)trans-98.2110.8174.7-65174.2000109.2C43 R44 D46C43-L53 CarbonylContact C-O 3.6Å; C43-L53 WeakPolarHBondContact CA-O 3.37Å; R44-L53 HydrophobicContact CG-CB 4.07Å; R44-L53 PolarHBondContact N-O 3.46Å; R44-L53 PolarHBondContact O-N 2.79Å; D46-L53 HydrophobicContact CB-CD1 3.72Å; D46-L53 HydrophobicContact CB-CG 4.12Å
54C82.9Confident82.3Confident71 Ų7184.7 Ų84.748%0.4844%0.442SS..EExtended strand (participates in β ladder)trans-106.9127.3175.2-63.20000110.6N42 C43N42-C54 WeakPolarHBondContact O-CA 3.37Å; C43-C54 HydrophobicContact CB-CB 4.19Å; C43-C54 WeakPolarHBondContact CB-SG 3.17Å; C43-C54 WeakPolarHBondContact SG-CB 3.47Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 3.29Å
55A81.3Confident83Confident64 Ų6480.3 Ų80.353%0.52943%0.433SS..EExtended strand (participates in β ladder)trans-120.4153172.200000109.7Y41 N42 S57Y41-A55 CarbonylContact C-O 3.53Å; Y41-A55 VanDerWaalsContact CA-O 3.29Å; Y41-A55 WeakPolarHBondContact CA-O 3.29Å; N42-A55 PolarHBondContact N-O 2.93Å; N42-A55 PolarHBondContact O-N 3.43Å; A55-S57 PolarHBondContact O-N 2.85Å
56S79.7Confident83.8Confident80 Ų8077.7 Ų77.756%0.55942%0.422SS*.EExtended strand (participates in β ladder)trans-60138.8172.9-174.80000109.8
57S76.7Confident84.5Confident10 Ų1076.3 Ų76.37%0.0741%0.414CS..  trans-65140.7179.9-164.50000110.1W40 N42 A55 E59 L63W40-S57 PolarHBondContact O-N 3.47Å; N42-S57 WeakPolarHBondContact ND2-CA 3.47Å; N42-S57 PolarHBondContact ND2-OG 3.34Å; A55-S57 PolarHBondContact O-N 2.85Å; S57-E59 PolarHBondContact O-N 3.33Å; S57-L63 WeakPolarHBondContact OG-CD2 3.26Å
58K75.9Confident85.4Confident141 Ų14174 Ų7461%0.61340%0.404SS*.  trans-68.2112177.4-175.4179.5173.5-163.30107.8T60 Q127K58-T60 PolarHBondContact O-N 3.31Å; K58-T60 VanDerWaalsContact O-N 3.16Å; K58-Q127 VanDerWaalsContact CE-OE1 3.3Å
59E74.1Confident86.2Confident123 Ų12368.3 Ų68.358%0.57537%0.374SS*.  trans-62.6119.2-177.8-64.6-172.7174.800110.3S57S57-E59 PolarHBondContact O-N 3.33Å
60T85.8Confident87Confident13 Ų1364.2 Ų64.28%0.0835%0.349CS..  trans-106154165.4670000107.9K58 W62 L63 Q64 Q127K58-T60 PolarHBondContact O-N 3.31Å; K58-T60 VanDerWaalsContact O-N 3.16Å; T60-W62 PolarHBondContact O-N 2.89Å; T60-L63 PolarHBondContact O-N 3.41Å; T60-L63 VanDerWaalsContact OG1-CB 3.23Å; T60-L63 WeakPolarHBondContact OG1-CB 3.34Å; T60-L63 PolarHBondContact OG1-N 3.49Å; T60-L63 VanDerWaalsContact OG1-N 3.07Å; T60-Q64 WeakPolarHBondContact O-CB 3.36Å; T60-Q64 PolarHBondContact O-N 3.03Å; T60-Q127 HydrophobicContact CG2-CG 3.92Å
61E90.4Very high87.8Confident163 Ų16365 Ų6576%0.76234%0.344SS*.Hα-helixtrans-56.4-35.9179.9-61.2-174.4138.600111.6S65E61-S65 WeakPolarHBondContact O-CB 3.28Å; E61-S65 PolarHBondContact O-N 3.39Å; E61-S65 PolarHBondContact O-OG 3.34Å
62W92.6Very high88.6Confident87 Ų8764.9 Ų64.933%0.3334%0.341SS..Hα-helixtrans-68.7-46.1174.5-60.5119.2000112.9T60 Q64 S65 V66 I117 H121 E124 I125T60-W62 PolarHBondContact O-N 2.89Å; W62-Q64 VanDerWaalsContact C-N 3.32Å; W62-Q64 PolarHBondContact O-N 3.34Å; W62-S65 WeakPolarHBondContact O-CB 3.26Å; W62-S65 PolarHBondContact O-N 3.25Å; W62-V66 WeakPolarHBondContact O-CG2 3.47Å; W62-V66 PolarHBondContact O-N 3.37Å; W62-I117 HydrophobicContact CB-CG2 4.44Å; W62-I117 HydrophobicContact CE3-CG2 3.82Å; W62-H121 HydrophobicContact CB-CB 4.1Å; W62-H121 HydrophobicContact CD2-CB 4.09Å; W62-H121 AromaticContact CD2-CD2 3.7Å; W62-H121 AromaticContact CD2-CG 3.71Å; W62-H121 AromaticContact CE2-CD2 3.33Å; W62-H121 AromaticContact CE2-CG 3.86Å; W62-H121 AromaticContact CE2-NE2 3.73Å; W62-H121 AromaticContact CE3-ND1 3.99Å; W62-H121 HydrophobicContact CG-CB 3.81Å; W62-H121 AromaticContact CG-CG 3.98Å; W62-H121 AromaticContact CH2-CE1 3.84Å; W62-H121 AromaticContact CH2-NE2 3.5Å; W62-H121 WeakPolarHBondContact CH2-NE2 3.34Å; W62-H121 AromaticContact CZ2-CD2 3.52Å; W62-H121 AromaticContact CZ2-NE2 3.4Å; W62-H121 WeakPolarHBondContact CZ2-NE2 3.26Å; W62-H121 AromaticContact CZ3-CE1 3.82Å; W62-H121 AromaticContact CZ3-NE2 3.92Å; W62-H121 AromaticContact NE1-CD2 3.61Å; W62-E124 PolarHBondContact NE1-OE2 2.92Å; W62-I125 HydrophobicContact CB-CD1 4.09Å; W62-I125 HydrophobicContact CB-CG1 3.69Å
63L90.9Very high89.4Confident1 Ų158.7 Ų58.71%0.00532%0.317CS..Hα-helixtrans-62-42.9178-17760.5000111L39 S57 T60 S65 V66 Q67 I125L39-L63 HydrophobicContact CD2-CD1 4.12Å; S57-L63 WeakPolarHBondContact OG-CD2 3.26Å; T60-L63 PolarHBondContact O-N 3.41Å; T60-L63 VanDerWaalsContact OG1-CB 3.23Å; T60-L63 WeakPolarHBondContact OG1-CB 3.34Å; T60-L63 PolarHBondContact OG1-N 3.49Å; T60-L63 VanDerWaalsContact OG1-N 3.07Å; L63-S65 VanDerWaalsContact C-N 3.3Å; L63-S65 PolarHBondContact O-N 3.44Å; L63-V66 PolarHBondContact O-N 3.49Å; L63-Q67 WeakPolarHBondContact O-CG 3.18Å; L63-Q67 PolarHBondContact O-N 3.02Å; L63-I125 HydrophobicContact CB-CG1 4.37Å; L63-I125 HydrophobicContact CB-CG2 4.17Å; L63-I125 HydrophobicContact CD1-CG2 3.9Å; L63-I125 HydrophobicContact CG-CG2 4.44Å
64Q93.8Very high90.2Very high96 Ų9656.3 Ų56.345%0.44931%0.306SS..Hα-helixtrans-61.5-40.2176.1-169.2-179.59.700111.5T60 W62 V66 Q67 V68T60-Q64 WeakPolarHBondContact O-CB 3.36Å; T60-Q64 PolarHBondContact O-N 3.03Å; W62-Q64 VanDerWaalsContact C-N 3.32Å; W62-Q64 PolarHBondContact O-N 3.34Å; Q64-V66 PolarHBondContact O-N 2.92Å; Q64-Q67 PolarHBondContact O-N 3.42Å; Q64-V68 WeakPolarHBondContact O-CG2 3.36Å; Q64-V68 PolarHBondContact O-N 3.35Å
65S95.1Very high90.9Very high49 Ų4956.5 Ų56.534%0.34330%0.304SS..Hα-helixtrans-61-44.6174.5-610000111.8E61 W62 L63 V68 L69E61-S65 WeakPolarHBondContact O-CB 3.28Å; E61-S65 PolarHBondContact O-N 3.39Å; E61-S65 PolarHBondContact O-OG 3.34Å; W62-S65 WeakPolarHBondContact O-CB 3.26Å; W62-S65 PolarHBondContact O-N 3.25Å; L63-S65 VanDerWaalsContact C-N 3.3Å; L63-S65 PolarHBondContact O-N 3.44Å; S65-V68 PolarHBondContact O-N 2.67Å; S65-L69 WeakPolarHBondContact O-CB 3.46Å; S65-L69 WeakPolarHBondContact O-CD1 3.42Å; S65-L69 WeakPolarHBondContact O-CG 3.44Å; S65-L69 PolarHBondContact O-N 2.93Å
66V95.8Very high91.7Very high0 Ų056.3 Ų56.30%029%0.292CS..Hα-helixtrans-62.8-45.5176.71800000110.9W28 L39 W62 L63 Q64 V68 L69 M70 A114 I117 Y118 I125W28-V66 HydrophobicContact CH2-CG1 3.86Å; W28-V66 HydrophobicContact CZ3-CG1 3.81Å; L39-V66 HydrophobicContact CD2-CB 4.15Å; L39-V66 HydrophobicContact CD2-CG1 3.43Å; L39-V66 VanDerWaalsContact CD2-CG1 3.43Å; W62-V66 WeakPolarHBondContact O-CG2 3.47Å; W62-V66 PolarHBondContact O-N 3.37Å; L63-V66 PolarHBondContact O-N 3.49Å; Q64-V66 PolarHBondContact O-N 2.92Å; V66-V68 PolarHBondContact O-N 2.95Å; V66-L69 PolarHBondContact O-N 2.95Å; V66-M70 HydrophobicContact CG1-CG 4.33Å; V66-M70 WeakPolarHBondContact O-CG 3.03Å; V66-M70 PolarHBondContact O-N 3.47Å; V66-A114 HydrophobicContact CG1-CB 4.06Å; V66-I117 HydrophobicContact CG2-CB 3.99Å; V66-I117 HydrophobicContact CG2-CG2 3.69Å; V66-Y118 HydrophobicContact CG1-CD2 4.3Å; V66-Y118 HydrophobicContact CG2-CD2 4.41Å; V66-I125 HydrophobicContact CG2-CD1 4.38Å
67Q95.3Very high92.6Very high12 Ų1252.5 Ų52.56%0.05627%0.265CS..Hα-helixtrans-56.5-51177.2-72.8169.4-18.800111.7L39 W40 L63 Q64 L69 M70 V71L39-Q67 HydrophobicContact CB-CG 4.23Å; L39-Q67 HydrophobicContact CD2-CG 4.4Å; L39-Q67 PolarHBondContact O-NE2 3.38Å; W40-Q67 HydrophobicContact CE3-CG 4.31Å; W40-Q67 HydrophobicContact CH2-CB 3.9Å; W40-Q67 HydrophobicContact CH2-CG 4.06Å; W40-Q67 HydrophobicContact CZ2-CB 4.34Å; W40-Q67 HydrophobicContact CZ2-CG 4.35Å; W40-Q67 HydrophobicContact CZ3-CB 4.24Å; W40-Q67 HydrophobicContact CZ3-CG 4.03Å; L63-Q67 WeakPolarHBondContact O-CG 3.18Å; L63-Q67 PolarHBondContact O-N 3.02Å; Q64-Q67 PolarHBondContact O-N 3.42Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-L69 PolarHBondContact O-N 3.5Å; Q67-M70 PolarHBondContact O-N 3.38Å; Q67-V71 WeakPolarHBondContact O-CG2 3.41Å; Q67-V71 PolarHBondContact O-N 3.47Å
68V96.7Very high93.6Very high87 Ų8753.9 Ų53.953%0.52728%0.275SS..Hα-helixtrans-61.7-43.1-179.7172.50000111Q64 S65 V66 V71 L72Q64-V68 WeakPolarHBondContact O-CG2 3.36Å; Q64-V68 PolarHBondContact O-N 3.35Å; S65-V68 PolarHBondContact O-N 2.67Å; V66-V68 PolarHBondContact O-N 2.95Å; V68-V71 PolarHBondContact O-N 2.94Å; V68-L72 VanDerWaalsContact O-CB 3.22Å; V68-L72 WeakPolarHBondContact O-CB 3.23Å; V68-L72 PolarHBondContact O-N 2.81Å
69L97.8Very high94.6Very high36 Ų3649.9 Ų49.919%0.18826%0.262CS..Hα-helixtrans-67.2-38.3-179.9-72.1169.3000112.9S65 V66 Q67 L72 S73 T110 A113 A114 I117S65-L69 WeakPolarHBondContact O-CB 3.46Å; S65-L69 WeakPolarHBondContact O-CD1 3.42Å; S65-L69 WeakPolarHBondContact O-CG 3.44Å; S65-L69 PolarHBondContact O-N 2.93Å; V66-L69 PolarHBondContact O-N 2.95Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-L69 PolarHBondContact O-N 3.5Å; L69-L72 PolarHBondContact O-N 2.97Å; L69-S73 WeakPolarHBondContact O-CB 3.29Å; L69-S73 PolarHBondContact O-N 3.21Å; L69-T110 HydrophobicContact CD2-CG2 4.32Å; L69-A113 HydrophobicContact CD1-CB 3.95Å; L69-A114 HydrophobicContact CB-CB 3.7Å; L69-A114 HydrophobicContact CD1-CB 4.45Å; L69-I117 HydrophobicContact CD1-CD1 3.6Å
70M97.4Very high95.7Very high0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-65.1-46.9174.3-72.8-58.2-61.100111.4L19 A22 T23 W28 L39 V66 Q67 L72 S73 V74 A114 A144L19-M70 HydrophobicContact CD1-CE 3.9Å; A22-M70 HydrophobicContact CB-CE 4.12Å; T23-M70 HydrophobicContact CG2-CB 4.05Å; T23-M70 WeakPolarHBondContact OG1-CE 3.39Å; W28-M70 HydrophobicContact CH2-CG 3.99Å; W28-M70 HydrophobicContact CH2-SD 3.85Å; W28-M70 HydrophobicContact CZ2-CE 3.94Å; W28-M70 HydrophobicContact CZ2-CG 3.91Å; W28-M70 HydrophobicContact CZ2-SD 3.85Å; L39-M70 HydrophobicContact CD1-CB 4.45Å; L39-M70 HydrophobicContact CD1-CG 4.1Å; V66-M70 HydrophobicContact CG1-CG 4.33Å; V66-M70 WeakPolarHBondContact O-CG 3.03Å; V66-M70 PolarHBondContact O-N 3.47Å; Q67-M70 PolarHBondContact O-N 3.38Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 3.42Å; M70-S73 WeakPolarHBondContact O-CB 3.28Å; M70-S73 PolarHBondContact O-N 2.88Å; M70-V74 PolarHBondContact O-N 3.49Å; M70-A114 HydrophobicContact CG-CB 3.81Å; M70-A114 HydrophobicContact SD-CB 3.67Å; M70-A144 HydrophobicContact CE-CB 4.34Å
71V97.8Very high96.1Very high63 Ų6345 Ų4538%0.38224%0.238SC..Hα-helixtrans-59.7-44.6175.2171.90000110.8T23 W40 Q67 V68 S73 V74 V75T23-V71 HydrophobicContact CG2-CG2 4.38Å; W40-V71 HydrophobicContact CH2-CG2 4.16Å; W40-V71 HydrophobicContact CZ2-CG2 4.01Å; Q67-V71 WeakPolarHBondContact O-CG2 3.41Å; Q67-V71 PolarHBondContact O-N 3.47Å; V68-V71 PolarHBondContact O-N 2.94Å; V71-S73 VanDerWaalsContact C-N 3.28Å; V71-S73 PolarHBondContact O-N 3.36Å; V71-V74 PolarHBondContact O-N 2.86Å; V71-V75 HydrophobicContact CG1-CG2 4.4Å; V71-V75 WeakPolarHBondContact O-CG2 3.32Å; V71-V75 PolarHBondContact O-N 3.25Å
72L97.9Very high96.4Very high66 Ų6642.8 Ų42.835%0.34623%0.231SC..Hα-helixtrans-62.6-37.2178.3-172.960.1000111.8V68 L69 M70 V75 F76 T110V68-L72 VanDerWaalsContact O-CB 3.22Å; V68-L72 WeakPolarHBondContact O-CB 3.23Å; V68-L72 PolarHBondContact O-N 2.81Å; L69-L72 PolarHBondContact O-N 2.97Å; M70-L72 VanDerWaalsContact C-N 3.32Å; M70-L72 PolarHBondContact O-N 3.42Å; L72-V75 PolarHBondContact O-N 3.11Å; L72-F76 HydrophobicContact CD1-CD2 3.91Å; L72-F76 HydrophobicContact CD1-CE2 3.49Å; L72-F76 VanDerWaalsContact CD1-CE2 3.49Å; L72-F76 HydrophobicContact CD1-CZ 4.02Å; L72-F76 HydrophobicContact CD2-CE2 3.96Å; L72-F76 HydrophobicContact CG-CD2 3.76Å; L72-F76 HydrophobicContact CG-CE2 3.51Å; L72-F76 HydrophobicContact CG-CZ 4.48Å; L72-F76 WeakPolarHBondContact O-CB 3.45Å; L72-F76 VanDerWaalsContact O-CD2 3.29Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 3.38Å; L72-T110 HydrophobicContact CD2-CG2 3.79Å; L72-T110 HydrophobicContact CG-CG2 4.11Å
73S98.1Very high96.4Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-60.7-48.2172.8-170.40000112L19 L69 M70 V71 V75 F76 S77 A107 T110 A111L19-S73 VanDerWaalsContact CD2-OG 3.29Å; L19-S73 WeakPolarHBondContact CD2-OG 3.45Å; L69-S73 WeakPolarHBondContact O-CB 3.29Å; L69-S73 PolarHBondContact O-N 3.21Å; M70-S73 WeakPolarHBondContact O-CB 3.28Å; M70-S73 PolarHBondContact O-N 2.88Å; V71-S73 VanDerWaalsContact C-N 3.28Å; V71-S73 PolarHBondContact O-N 3.36Å; S73-V75 VanDerWaalsContact C-N 3.34Å; S73-V75 PolarHBondContact O-N 2.78Å; S73-F76 PolarHBondContact O-N 3.02Å; S73-S77 PolarHBondContact O-N 3.48Å; S73-A107 WeakPolarHBondContact CB-O 3.29Å; S73-A107 WeakPolarHBondContact O-CB 3.49Å; S73-A107 PolarHBondContact OG-O 2.91Å; S73-T110 WeakPolarHBondContact CA-OG1 3.29Å; S73-T110 VanDerWaalsContact CB-OG1 3.24Å; S73-T110 WeakPolarHBondContact CB-OG1 3.49Å; S73-T110 PolarHBondContact N-OG1 3.05Å; S73-A111 WeakPolarHBondContact OG-CB 3.44Å
74V98.1Very high96.4Very high21 Ų2140.5 Ų40.513%0.12723%0.226CC..Hα-helixtrans-60.7-43.7178.1173.90000111.1L19 F20 T23 M70 V71 S78L19-V74 HydrophobicContact CD2-CB 4.37Å; L19-V74 HydrophobicContact CD2-CG2 3.84Å; L19-V74 HydrophobicContact CG-CG2 3.73Å; F20-V74 HydrophobicContact CD2-CG1 4.25Å; T23-V74 WeakPolarHBondContact OG1-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.49Å; V71-V74 PolarHBondContact O-N 2.86Å; V74-S78 VanDerWaalsContact O-CB 3.31Å; V74-S78 WeakPolarHBondContact O-CB 3.21Å; V74-S78 PolarHBondContact O-N 2.65Å; V74-S78 PolarHBondContact O-OG 3.03Å
75V98.2Very high96.3Very high74 Ų7438.6 Ų38.645%0.44822%0.219SC..Hα-helixtrans-62.6-49.9178.5170.80000110.8V71 L72 S73 S77 S78 V79V71-V75 HydrophobicContact CG1-CG2 4.4Å; V71-V75 WeakPolarHBondContact O-CG2 3.32Å; V71-V75 PolarHBondContact O-N 3.25Å; L72-V75 PolarHBondContact O-N 3.11Å; S73-V75 VanDerWaalsContact C-N 3.34Å; S73-V75 PolarHBondContact O-N 2.78Å; V75-S77 PolarHBondContact O-N 3.11Å; V75-S78 PolarHBondContact O-N 2.93Å; V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CG2 3.3Å; V75-V79 PolarHBondContact O-N 3.31Å
76F98.3Very high96Very high60 Ų6037.8 Ų37.826%0.26322%0.219SC..Hα-helixtrans-62.6-42.2179.8-82-49.4000112.6L72 S73 V79 S80 F106 A107L72-F76 HydrophobicContact CD1-CD2 3.91Å; L72-F76 HydrophobicContact CD1-CE2 3.49Å; L72-F76 VanDerWaalsContact CD1-CE2 3.49Å; L72-F76 HydrophobicContact CD1-CZ 4.02Å; L72-F76 HydrophobicContact CD2-CE2 3.96Å; L72-F76 HydrophobicContact CG-CD2 3.76Å; L72-F76 HydrophobicContact CG-CE2 3.51Å; L72-F76 HydrophobicContact CG-CZ 4.48Å; L72-F76 WeakPolarHBondContact O-CB 3.45Å; L72-F76 VanDerWaalsContact O-CD2 3.29Å; L72-F76 WeakPolarHBondContact O-CD2 3.46Å; L72-F76 PolarHBondContact O-N 3.38Å; S73-F76 PolarHBondContact O-N 3.02Å; F76-V79 PolarHBondContact O-N 3.43Å; F76-S80 VanDerWaalsContact O-CB 3.24Å; F76-S80 WeakPolarHBondContact O-CB 3.21Å; F76-S80 PolarHBondContact O-N 3.36Å; F76-F106 HydrophobicContact CD2-CB 3.97Å; F76-F106 HydrophobicContact CE2-CB 4.13Å; F76-F106 HydrophobicContact CG-CB 4.23Å; F76-A107 HydrophobicContact CB-CB 3.81Å
77S98Very high95.6Very high0 Ų039.5 Ų39.50%023%0.226CC..Hα-helixtrans-66.4-37.8175.9-169.60000111.6H12 S73 V75 S80 F81 Q104H12-S77 PolarHBondContact NE2-O 3.49Å; H12-S77 PolarHBondContact NE2-OG 3.33Å; H12-S77 VanDerWaalsContact NE2-OG 3.12Å; S73-S77 PolarHBondContact O-N 3.48Å; V75-S77 PolarHBondContact O-N 3.11Å; S77-S80 WeakPolarHBondContact O-CB 3.46Å; S77-S80 PolarHBondContact O-N 3.43Å; S77-F81 PolarHBondContact O-N 3.32Å; S77-Q104 PolarHBondContact OG-NE2 2.94Å
78S97.9Very high95Very high40 Ų4041.3 Ų41.328%0.2824%0.236SC..Hα-helixtrans-65.5-44.9176.7-590000112V74 V75 S80 F81 L82V74-S78 VanDerWaalsContact O-CB 3.31Å; V74-S78 WeakPolarHBondContact O-CB 3.21Å; V74-S78 PolarHBondContact O-N 2.65Å; V74-S78 PolarHBondContact O-OG 3.03Å; V75-S78 PolarHBondContact O-N 2.93Å; S78-S80 VanDerWaalsContact C-N 3.35Å; S78-F81 PolarHBondContact O-N 3.45Å; S78-L82 WeakPolarHBondContact O-CG 3.39Å; S78-L82 PolarHBondContact O-N 3.17Å
79V97.1Very high94.4Very high56 Ų5645.3 Ų45.334%0.33925%0.247SC..Hα-helixtrans-61.6-45175.3170.70000110.5V75 F76 F81 L82 V83 F99V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CG2 3.3Å; V75-V79 PolarHBondContact O-N 3.31Å; F76-V79 PolarHBondContact O-N 3.43Å; V79-F81 VanDerWaalsContact C-N 3.3Å; V79-F81 PolarHBondContact O-N 3.38Å; V79-L82 PolarHBondContact O-N 3.46Å; V79-V83 HydrophobicContact CG1-CG2 4.18Å; V79-V83 WeakPolarHBondContact O-CB 3.39Å; V79-V83 WeakPolarHBondContact O-CG2 3.24Å; V79-V83 PolarHBondContact O-N 2.97Å; V79-F99 HydrophobicContact CG1-CE1 4.4Å
80S96.2Very high93.6Very high0 Ų049.4 Ų49.40%027%0.273CS..Hα-helixtrans-53.7-47.1174.1176.70000111.4H12 F76 S77 S78 V83 F84 T100 Q104H12-S80 PolarHBondContact CE1-OG 3.04Å; F76-S80 VanDerWaalsContact O-CB 3.24Å; F76-S80 WeakPolarHBondContact O-CB 3.21Å; F76-S80 PolarHBondContact O-N 3.36Å; S77-S80 WeakPolarHBondContact O-CB 3.46Å; S77-S80 PolarHBondContact O-N 3.43Å; S78-S80 VanDerWaalsContact C-N 3.35Å; S80-V83 PolarHBondContact O-N 3.1Å; S80-F84 VanDerWaalsContact O-CB 3.29Å; S80-F84 WeakPolarHBondContact O-CB 3.34Å; S80-F84 PolarHBondContact O-N 2.93Å; S80-T100 WeakPolarHBondContact OG-CG2 3.29Å; S80-T100 PolarHBondContact OG-O 3.47Å; S80-Q104 PolarHBondContact OG-OE1 3.41Å
81F95.5Very high92.6Very high33 Ų3351.3 Ų51.315%0.14528%0.283CS..Hα-helixtrans-64-45.3178.7-174.8-110.4000113T9 H12 L13 S77 S78 V79 V83 F84 L85T9-F81 HydrophobicContact CG2-CE2 4.3Å; H12-F81 PolarHBondContact CE1-N 3.31Å; H12-F81 VanDerWaalsContact CE1-N 3.32Å; L13-F81 HydrophobicContact CD1-CZ 4.45Å; L13-F81 HydrophobicContact CD2-CD2 4.46Å; L13-F81 HydrophobicContact CD2-CE1 4Å; L13-F81 HydrophobicContact CD2-CE2 3.76Å; L13-F81 HydrophobicContact CD2-CZ 3.49Å; L13-F81 VanDerWaalsContact CD2-CZ 3.49Å; L13-F81 HydrophobicContact CG-CE2 3.89Å; L13-F81 HydrophobicContact CG-CZ 4.03Å; S77-F81 PolarHBondContact O-N 3.32Å; S78-F81 PolarHBondContact O-N 3.45Å; V79-F81 VanDerWaalsContact C-N 3.3Å; V79-F81 PolarHBondContact O-N 3.38Å; F81-V83 PolarHBondContact O-N 3.12Å; F81-F84 WeakPolarHBondContact O-CB 3.43Å; F81-F84 PolarHBondContact O-N 3.45Å; F81-L85 HydrophobicContact CD1-CD1 4.03Å; F81-L85 HydrophobicContact CE1-CD1 3.48Å; F81-L85 VanDerWaalsContact CE1-CD1 3.48Å; F81-L85 HydrophobicContact CE1-CG 4.14Å; F81-L85 HydrophobicContact CE2-CG 4.45Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.2Å; F81-L85 HydrophobicContact CZ-CG 4.08Å; F81-L85 WeakPolarHBondContact O-CG 3.47Å; F81-L85 PolarHBondContact O-N 2.96Å
82L94.9Very high91.4Very high117 Ų11752.8 Ų52.861%0.61330%0.296SS*.Hα-helixtrans-63.2-42.2178.4-68.5175000111.8S78 V79 L85 G86S78-L82 WeakPolarHBondContact O-CG 3.39Å; S78-L82 PolarHBondContact O-N 3.17Å; V79-L82 PolarHBondContact O-N 3.46Å; L82-L85 PolarHBondContact O-N 3.45Å; L82-G86 PolarHBondContact O-N 3.02Å
83V93.3Very high90.1Very high40 Ų4056.2 Ų56.224%0.24231%0.308CS..Hα-helixtrans-67.4-39.7177.1175.60000110.5V79 S80 F81 L85 G86 Q87 F99V79-V83 HydrophobicContact CG1-CG2 4.18Å; V79-V83 WeakPolarHBondContact O-CB 3.39Å; V79-V83 WeakPolarHBondContact O-CG2 3.24Å; V79-V83 PolarHBondContact O-N 2.97Å; S80-V83 PolarHBondContact O-N 3.1Å; F81-V83 PolarHBondContact O-N 3.12Å; V83-L85 PolarHBondContact O-N 3.32Å; V83-G86 PolarHBondContact O-N 2.88Å; V83-Q87 HydrophobicContact CG1-CG 4.16Å; V83-Q87 WeakPolarHBondContact O-CB 3.34Å; V83-Q87 VanDerWaalsContact O-CG 3.28Å; V83-Q87 WeakPolarHBondContact O-CG 3.39Å; V83-Q87 PolarHBondContact O-N 2.68Å; V83-F99 HydrophobicContact CB-CD1 4.21Å; V83-F99 HydrophobicContact CG1-CD1 3.65Å; V83-F99 HydrophobicContact CG1-CE1 4.36Å; V83-F99 HydrophobicContact CG2-CD1 3.97Å; V83-F99 HydrophobicContact CG2-CE1 3.83Å
84F92Very high88.6Confident0 Ų057.4 Ų57.40%032%0.321CS..Hα-helixtrans-57.8-46.5173.8175.9-114.3000112.1L5 T9 S80 F81 Q87 L88 F97 T100 Y158L5-F84 HydrophobicContact CD1-CE2 3.9Å; L5-F84 HydrophobicContact CD1-CZ 3.57Å; L5-F84 HydrophobicContact CG-CZ 4.32Å; T9-F84 HydrophobicContact CG2-CE1 4.19Å; T9-F84 VanDerWaalsContact OG1-CE1 3.28Å; T9-F84 WeakPolarHBondContact OG1-CE1 3.46Å; S80-F84 VanDerWaalsContact O-CB 3.29Å; S80-F84 WeakPolarHBondContact O-CB 3.34Å; S80-F84 PolarHBondContact O-N 2.93Å; F81-F84 WeakPolarHBondContact O-CB 3.43Å; F81-F84 PolarHBondContact O-N 3.45Å; F84-Q87 PolarHBondContact O-N 2.86Å; F84-L88 WeakPolarHBondContact O-CB 3.34Å; F84-L88 PolarHBondContact O-N 2.9Å; F84-F97 AromaticContact CD2-CD1 3.62Å; F84-F97 HydrophobicContact CD2-CD1 3.62Å; F84-F97 AromaticContact CD2-CE1 3.75Å; F84-F97 HydrophobicContact CD2-CE1 3.75Å; F84-F97 HydrophobicContact CD2-CG 4.46Å; F84-F97 AromaticContact CE2-CD1 3.97Å; F84-F97 HydrophobicContact CE2-CD1 3.97Å; F84-F97 AromaticContact CE2-CE1 3.77Å; F84-F97 HydrophobicContact CE2-CE1 3.77Å; F84-F97 HydrophobicContact CE2-CZ 4.28Å; F84-T100 HydrophobicContact CB-CG2 3.68Å; F84-T100 HydrophobicContact CD2-CG2 4.33Å; F84-T100 HydrophobicContact CG-CG2 4.34Å; F84-T100 PolarHBondContact N-OG1 3.14Å; F84-Y158 HydrophobicContact CD1-CE1 4.3Å; F84-Y158 AromaticContact CD2-CD1 3.96Å; F84-Y158 HydrophobicContact CD2-CD1 3.96Å; F84-Y158 AromaticContact CD2-CE1 3.34Å; F84-Y158 HydrophobicContact CD2-CE1 3.34Å; F84-Y158 HydrophobicContact CE1-CE1 4.37Å; F84-Y158 HydrophobicContact CE2-CD1 4.13Å; F84-Y158 AromaticContact CE2-CE1 3.45Å; F84-Y158 HydrophobicContact CE2-CE1 3.45Å; F84-Y158 VanDerWaalsContact CE2-CE1 3.45Å; F84-Y158 AromaticContact CG-CE1 3.8Å; F84-Y158 HydrophobicContact CG-CE1 3.8Å; F84-Y158 AromaticContact CZ-CE1 3.96Å; F84-Y158 HydrophobicContact CZ-CE1 3.96Å
85L90.4Very high87.4Confident56 Ų5657.2 Ų57.229%0.29332%0.323SS..Hα-helixtrans-61.4-45.4175.4-70.5179.3000111.6F81 L82 V83 Q87 L88 F89F81-L85 HydrophobicContact CD1-CD1 4.03Å; F81-L85 HydrophobicContact CE1-CD1 3.48Å; F81-L85 VanDerWaalsContact CE1-CD1 3.48Å; F81-L85 HydrophobicContact CE1-CG 4.14Å; F81-L85 HydrophobicContact CE2-CG 4.45Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.2Å; F81-L85 HydrophobicContact CZ-CG 4.08Å; F81-L85 WeakPolarHBondContact O-CG 3.47Å; F81-L85 PolarHBondContact O-N 2.96Å; L82-L85 PolarHBondContact O-N 3.45Å; V83-L85 PolarHBondContact O-N 3.32Å; L85-Q87 PolarHBondContact O-N 2.89Å; L85-L88 WeakPolarHBondContact O-CB 3.22Å; L85-L88 PolarHBondContact O-N 2.74Å; L85-F89 WeakPolarHBondContact O-CD2 3.28Å; L85-F89 PolarHBondContact O-N 3.19Å
86G88.5Confident86.5Confident33 Ų3356.5 Ų56.534%0.3432%0.316SS..Hα-helixtrans-59.3-45.5175.100000112.4L82 V83 L88 F89 T90L82-G86 PolarHBondContact O-N 3.02Å; V83-G86 PolarHBondContact O-N 2.88Å; G86-L88 VanDerWaalsContact C-N 3.26Å; G86-L88 PolarHBondContact O-N 3.24Å; G86-F89 PolarHBondContact O-N 2.94Å; G86-T90 VanDerWaalsContact O-CB 3.26Å; G86-T90 WeakPolarHBondContact O-CB 3.37Å; G86-T90 PolarHBondContact O-N 3.23Å; G86-T90 PolarHBondContact O-OG1 2.95Å
87Q88.2Confident85.9Confident35 Ų3554 Ų5416%0.16431%0.305CS..Hα-helixtrans-64.4-31.3176.9-73.4175.8-18.800112.1V83 F84 L85 M91 F97 T100V83-Q87 HydrophobicContact CG1-CG 4.16Å; V83-Q87 WeakPolarHBondContact O-CB 3.34Å; V83-Q87 VanDerWaalsContact O-CG 3.28Å; V83-Q87 WeakPolarHBondContact O-CG 3.39Å; V83-Q87 PolarHBondContact O-N 2.68Å; F84-Q87 PolarHBondContact O-N 2.86Å; L85-Q87 PolarHBondContact O-N 2.89Å; Q87-M91 HydrophobicContact CB-CB 4.44Å; Q87-M91 HydrophobicContact CB-CE 4.14Å; Q87-M91 HydrophobicContact CB-SD 4.4Å; Q87-M91 HydrophobicContact CG-SD 4.3Å; Q87-M91 WeakPolarHBondContact O-CB 3.31Å; Q87-M91 PolarHBondContact O-N 3.45Å; Q87-M91 VanDerWaalsContact O-N 3.16Å; Q87-F97 HydrophobicContact CB-CD1 3.78Å; Q87-F97 HydrophobicContact CB-CE1 3.65Å; Q87-T100 PolarHBondContact OE1-OG1 3.49Å
88L83.8Confident85.4Confident51 Ų5160.5 Ų60.527%0.26733%0.331SS..Hα-helixtrans-63.1-45.8177.5-173.260.9000111.6L5 F84 L85 G86 K163L5-L88 HydrophobicContact CD1-CD1 4.29Å; L5-L88 HydrophobicContact CD2-CD1 3.52Å; L5-L88 HydrophobicContact CD2-CD2 4.45Å; L5-L88 HydrophobicContact CG-CD1 4.46Å; F84-L88 WeakPolarHBondContact O-CB 3.34Å; F84-L88 PolarHBondContact O-N 2.9Å; L85-L88 WeakPolarHBondContact O-CB 3.22Å; L85-L88 PolarHBondContact O-N 2.74Å; G86-L88 VanDerWaalsContact C-N 3.26Å; G86-L88 PolarHBondContact O-N 3.24Å; L88-K163 PolarHBondContact O-NZ 3.49Å
89F82.6Confident85.1Confident170 Ų17063.9 Ų63.975%0.74634%0.34SS*.Hα-helixtrans-85.9-38.1-178.3-62.6-67.7000113.9L85 G86L85-F89 WeakPolarHBondContact O-CD2 3.28Å; L85-F89 PolarHBondContact O-N 3.19Å; G86-F89 PolarHBondContact O-N 2.94Å
90T81.1Confident85Confident122 Ų12261.2 Ų61.275%0.74832%0.324SS*.Hα-helixtrans-96.8-26.1-169-51.70000113.8G86G86-T90 VanDerWaalsContact O-CB 3.26Å; G86-T90 WeakPolarHBondContact O-CB 3.37Å; G86-T90 PolarHBondContact O-N 3.23Å; G86-T90 PolarHBondContact O-OG1 2.95Å
91M76.8Confident84.9Confident41 Ų4161.2 Ų61.220%0.20232%0.324CS..PPolyproline II helixtrans-74.6135.5-171.5-164.315665.900112.3Q87 G95 F97 K163Q87-M91 HydrophobicContact CB-CB 4.44Å; Q87-M91 HydrophobicContact CB-CE 4.14Å; Q87-M91 HydrophobicContact CB-SD 4.4Å; Q87-M91 HydrophobicContact CG-SD 4.3Å; Q87-M91 WeakPolarHBondContact O-CB 3.31Å; Q87-M91 PolarHBondContact O-N 3.45Å; Q87-M91 VanDerWaalsContact O-N 3.16Å; M91-G95 VanDerWaalsContact CE-C 3.5Å; M91-F97 HydrophobicContact CE-CD1 4.1Å; M91-F97 HydrophobicContact CE-CD2 4.28Å; M91-F97 HydrophobicContact CE-CE1 3.87Å; M91-F97 HydrophobicContact CE-CE2 4.06Å; M91-F97 HydrophobicContact CE-CG 4.28Å; M91-F97 HydrophobicContact CE-CZ 3.84Å; M91-K163 HydrophobicContact CB-CD 4.47Å; M91-K163 PolarHBondContact O-NZ 2.82Å
92S73.3Confident84.9Confident94 Ų9463.7 Ų63.766%0.65734%0.339SS*.PPolyproline II helixtrans-66.4159.6172.658.60000111.7G94 G95S92-G94 PolarHBondContact O-N 3Å; S92-G95 PolarHBondContact O-N 3.37Å
93K70.6Confident85Confident137 Ų13758.5 Ų58.560%0.59631%0.312SS*.THydrogen-bonded Turntrans-55.4136.8178.9-65.1-176.3175.6-1630110.4E165K93-E165 HydrophobicContact CD-CB 4.48Å; K93-E165 HydrophobicContact CD-CG 4.44Å; K93-E165 WeakPolarHBondContact CE-OXT 3.32Å; K93-E165 PolarHBondContact NZ-OXT 3.42Å
94G65.4Low85.1Confident26 Ų2656.6 Ų56.627%0.26830%0.301SS..THydrogen-bonded Turntrans92-5.417800000116.1S92 K163S92-G94 PolarHBondContact O-N 3Å; G94-K163 VanDerWaalsContact CA-O 3.3Å; G94-K163 WeakPolarHBondContact CA-O 3.35Å; G94-K163 PolarHBondContact N-O 2.97Å
95G74.1Confident85.4Confident16 Ų1658.2 Ų58.217%0.16531%0.31CS..  trans-65.7151.8174.500000113.8M91 S92 K163M91-G95 VanDerWaalsContact CE-C 3.5Å; S92-G95 PolarHBondContact O-N 3.37Å; G95-K163 WeakPolarHBondContact O-CB 3.4Å; G95-K163 PolarHBondContact O-N 3.48Å
96L78.4Confident85.8Confident60 Ų6059.9 Ų59.931%0.31432%0.315SS..BIsolated β-bridgetrans-110.6144.8179.3-76.3139000109.9Y98 R162L96-Y98 HydrophobicContact CB-CD2 3.46Å; L96-Y98 VanDerWaalsContact CB-CD2 3.46Å; L96-Y98 HydrophobicContact CB-CE2 3.4Å; L96-Y98 VanDerWaalsContact CB-CE2 3.4Å; L96-Y98 HydrophobicContact CB-CG 4.37Å; L96-Y98 HydrophobicContact CD1-CD2 4.4Å; L96-Y98 HydrophobicContact CD1-CE2 3.5Å; L96-Y98 HydrophobicContact CD2-CE2 4.23Å; L96-Y98 HydrophobicContact CG-CD2 4.42Å; L96-Y98 HydrophobicContact CG-CE2 3.87Å; L96-Y98 PolarHBondContact O-N 3.32Å; L96-Y98 VanDerWaalsContact O-N 3.12Å; L96-R162 HydrophobicContact CD2-CB 4.3Å
97F86.9Confident86.2Confident6 Ų658.3 Ų58.33%0.02630%0.299CS..  trans-88.844.4-177.1-57.6-98.2000112F84 Q87 M91 F99 T100 G101 Y158 L161 K163F84-F97 AromaticContact CD2-CD1 3.62Å; F84-F97 HydrophobicContact CD2-CD1 3.62Å; F84-F97 AromaticContact CD2-CE1 3.75Å; F84-F97 HydrophobicContact CD2-CE1 3.75Å; F84-F97 HydrophobicContact CD2-CG 4.46Å; F84-F97 AromaticContact CE2-CD1 3.97Å; F84-F97 HydrophobicContact CE2-CD1 3.97Å; F84-F97 AromaticContact CE2-CE1 3.77Å; F84-F97 HydrophobicContact CE2-CE1 3.77Å; F84-F97 HydrophobicContact CE2-CZ 4.28Å; Q87-F97 HydrophobicContact CB-CD1 3.78Å; Q87-F97 HydrophobicContact CB-CE1 3.65Å; M91-F97 HydrophobicContact CE-CD1 4.1Å; M91-F97 HydrophobicContact CE-CD2 4.28Å; M91-F97 HydrophobicContact CE-CE1 3.87Å; M91-F97 HydrophobicContact CE-CE2 4.06Å; M91-F97 HydrophobicContact CE-CG 4.28Å; M91-F97 HydrophobicContact CE-CZ 3.84Å; F97-F99 PolarHBondContact O-N 2.66Å; F97-T100 PolarHBondContact O-N 3.07Å; F97-G101 PolarHBondContact O-N 2.9Å; F97-Y158 HydrophobicContact CB-CD1 4.38Å; F97-Y158 WeakPolarHBondContact CB-O 3.2Å; F97-L161 HydrophobicContact CD2-CB 4.03Å; F97-L161 WeakPolarHBondContact CD2-O 3.37Å; F97-L161 HydrophobicContact CE2-CB 4.47Å; F97-K163 HydrophobicContact CE2-CB 4.34Å
98Y87.5Confident86.7Confident137 Ų13756.6 Ų56.654%0.53729%0.291SS..Hα-helixtrans-60-47.2-174.5-78.4-69.6000113.4L96 G101 L102 I159L96-Y98 HydrophobicContact CB-CD2 3.46Å; L96-Y98 VanDerWaalsContact CB-CD2 3.46Å; L96-Y98 HydrophobicContact CB-CE2 3.4Å; L96-Y98 VanDerWaalsContact CB-CE2 3.4Å; L96-Y98 HydrophobicContact CB-CG 4.37Å; L96-Y98 HydrophobicContact CD1-CD2 4.4Å; L96-Y98 HydrophobicContact CD1-CE2 3.5Å; L96-Y98 HydrophobicContact CD2-CE2 4.23Å; L96-Y98 HydrophobicContact CG-CD2 4.42Å; L96-Y98 HydrophobicContact CG-CE2 3.87Å; L96-Y98 PolarHBondContact O-N 3.32Å; L96-Y98 VanDerWaalsContact O-N 3.12Å; Y98-G101 PolarHBondContact O-N 2.95Å; Y98-L102 WeakPolarHBondContact O-CB 3.43Å; Y98-L102 PolarHBondContact O-N 3.36Å; Y98-I159 HydrophobicContact CD1-CG1 4.49Å; Y98-I159 HydrophobicContact CD1-CG2 3.89Å; Y98-I159 HydrophobicContact CE1-CG2 3.7Å
99F91.1Very high87.4Confident111 Ų11158.1 Ų58.149%0.48730%0.299SS..Hα-helixtrans-64.1-46.3-178.2-174.1-97.1000111.8V79 V83 F97 G101 L102 C103V79-F99 HydrophobicContact CG1-CE1 4.4Å; V83-F99 HydrophobicContact CB-CD1 4.21Å; V83-F99 HydrophobicContact CG1-CD1 3.65Å; V83-F99 HydrophobicContact CG1-CE1 4.36Å; V83-F99 HydrophobicContact CG2-CD1 3.97Å; V83-F99 HydrophobicContact CG2-CE1 3.83Å; F97-F99 PolarHBondContact O-N 2.66Å; F99-G101 PolarHBondContact O-N 2.95Å; F99-L102 PolarHBondContact O-N 3.44Å; F99-C103 PolarHBondContact O-N 3.16Å; F99-C103 PolarHBondContact O-SG 3.33Å
100T93.9Very high88.1Confident0 Ų050.8 Ų50.80%027%0.269CS..Hα-helixtrans-52.4-54.7171.8-62.30000110.8S80 F84 Q87 F97 L102 C103 Q104 Y158S80-T100 WeakPolarHBondContact OG-CG2 3.29Å; S80-T100 PolarHBondContact OG-O 3.47Å; F84-T100 HydrophobicContact CB-CG2 3.68Å; F84-T100 HydrophobicContact CD2-CG2 4.33Å; F84-T100 HydrophobicContact CG-CG2 4.34Å; F84-T100 PolarHBondContact N-OG1 3.14Å; Q87-T100 PolarHBondContact OE1-OG1 3.49Å; F97-T100 PolarHBondContact O-N 3.07Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-L102 PolarHBondContact O-N 3.4Å; T100-C103 PolarHBondContact O-N 3.44Å; T100-Q104 PolarHBondContact O-N 3.4Å; T100-Y158 HydrophobicContact CG2-CD1 3.78Å; T100-Y158 HydrophobicContact CG2-CD2 3.82Å; T100-Y158 HydrophobicContact CG2-CE1 4Å; T100-Y158 HydrophobicContact CG2-CE2 4.02Å; T100-Y158 HydrophobicContact CG2-CG 3.7Å
101G94Very high88.9Confident0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-62.2-38.2-178.900000113.4F97 Y98 F99 Q104 V105 G155F97-G101 PolarHBondContact O-N 2.9Å; Y98-G101 PolarHBondContact O-N 2.95Å; F99-G101 PolarHBondContact O-N 2.95Å; G101-Q104 WeakPolarHBondContact O-CB 3.25Å; G101-Q104 PolarHBondContact O-N 3.44Å; G101-V105 WeakPolarHBondContact O-CG2 3.44Å; G101-V105 PolarHBondContact O-N 2.98Å; G101-G155 WeakPolarHBondContact CA-O 3.35Å
102L95.8Very high90Very high85 Ų8547 Ų4745%0.44524%0.24SC..Hα-helixtrans-63.7-47.1176.4-176.864.1000112Y98 F99 T100 Q104 V105 F106Y98-L102 WeakPolarHBondContact O-CB 3.43Å; Y98-L102 PolarHBondContact O-N 3.36Å; F99-L102 PolarHBondContact O-N 3.44Å; T100-L102 VanDerWaalsContact C-N 3.33Å; T100-L102 PolarHBondContact O-N 3.4Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 3.48Å; L102-V105 PolarHBondContact O-N 3.14Å; L102-F106 HydrophobicContact CD1-CD2 4.1Å; L102-F106 HydrophobicContact CD1-CE2 3.61Å; L102-F106 HydrophobicContact CD1-CZ 4.22Å; L102-F106 HydrophobicContact CD2-CE2 4.13Å; L102-F106 HydrophobicContact CG-CD2 3.93Å; L102-F106 HydrophobicContact CG-CE2 3.64Å; L102-F106 VanDerWaalsContact O-CD2 3.31Å; L102-F106 WeakPolarHBondContact O-CD2 3.43Å; L102-F106 PolarHBondContact O-N 3.22Å
103C96.9Very high91.1Very high9 Ų944 Ų446%0.06122%0.222CC..Hα-helixtrans-59.5-41174.3-710000111.3F99 T100 V105 F106 A107F99-C103 PolarHBondContact O-N 3.16Å; F99-C103 PolarHBondContact O-SG 3.33Å; T100-C103 PolarHBondContact O-N 3.44Å; C103-V105 PolarHBondContact O-N 2.67Å; C103-F106 PolarHBondContact O-N 3.39Å; C103-A107 PolarHBondContact O-N 2.83Å
104Q97.1Very high92.4Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-63.7-41.2177.3-157.770.93.500112.8H12 S77 S80 T100 G101 L102 A107 G108 L151 Y158H12-Q104 PolarHBondContact CD2-NE2 3.23Å; H12-Q104 PolarHBondContact CE1-OE1 3.48Å; H12-Q104 PolarHBondContact NE2-NE2 3.22Å; H12-Q104 PolarHBondContact NE2-OE1 2.89Å; H12-Q104 VanDerWaalsContact NE2-OE1 3.1Å; S77-Q104 PolarHBondContact OG-NE2 2.94Å; S80-Q104 PolarHBondContact OG-OE1 3.41Å; T100-Q104 PolarHBondContact O-N 3.4Å; G101-Q104 WeakPolarHBondContact O-CB 3.25Å; G101-Q104 PolarHBondContact O-N 3.44Å; L102-Q104 VanDerWaalsContact C-N 3.28Å; L102-Q104 PolarHBondContact O-N 3.48Å; Q104-A107 WeakPolarHBondContact O-CB 3.37Å; Q104-A107 PolarHBondContact O-N 3.31Å; Q104-G108 PolarHBondContact O-N 2.86Å; Q104-L151 HydrophobicContact CG-CD2 4.46Å; Q104-L151 WeakPolarHBondContact CG-O 3.34Å; Q104-L151 VanDerWaalsContact NE2-CD2 3.31Å; Q104-Y158 HydrophobicContact CB-CD2 4.45Å; Q104-Y158 HydrophobicContact CG-CD2 4.43Å
105V97.6Very high93.8Very high33 Ų3336.2 Ų36.220%0.218%0.181CC..Hα-helixtrans-64.3-44175.7170.20000110.6G101 L102 C103 A107 G108 L109 L152G101-V105 WeakPolarHBondContact O-CG2 3.44Å; G101-V105 PolarHBondContact O-N 2.98Å; L102-V105 PolarHBondContact O-N 3.14Å; C103-V105 PolarHBondContact O-N 2.67Å; V105-A107 VanDerWaalsContact C-N 3.31Å; V105-A107 PolarHBondContact O-N 3.16Å; V105-G108 WeakPolarHBondContact O-CA 3.44Å; V105-G108 PolarHBondContact O-N 2.98Å; V105-G108 VanDerWaalsContact O-N 3.09Å; V105-L109 HydrophobicContact CG1-CD1 4.15Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 3.35Å; V105-L152 HydrophobicContact CG1-CD2 4.11Å
106F98Very high94.9Very high91 Ų9138.2 Ų38.240%0.39919%0.187SC..Hα-helixtrans-61.2-39.8175.9-79.9-54.3000112.4F76 L102 C103 G108 L109 T110F76-F106 HydrophobicContact CD2-CB 3.97Å; F76-F106 HydrophobicContact CE2-CB 4.13Å; F76-F106 HydrophobicContact CG-CB 4.23Å; L102-F106 HydrophobicContact CD1-CD2 4.1Å; L102-F106 HydrophobicContact CD1-CE2 3.61Å; L102-F106 HydrophobicContact CD1-CZ 4.22Å; L102-F106 HydrophobicContact CD2-CE2 4.13Å; L102-F106 HydrophobicContact CG-CD2 3.93Å; L102-F106 HydrophobicContact CG-CE2 3.64Å; L102-F106 VanDerWaalsContact O-CD2 3.31Å; L102-F106 WeakPolarHBondContact O-CD2 3.43Å; L102-F106 PolarHBondContact O-N 3.22Å; C103-F106 PolarHBondContact O-N 3.39Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.26Å; F106-L109 HydrophobicContact CD1-CD1 4.36Å; F106-L109 PolarHBondContact O-N 3.44Å; F106-T110 WeakPolarHBondContact O-CG2 3.28Å; F106-T110 PolarHBondContact O-N 2.88Å; F106-T110 PolarHBondContact O-OG1 3.36Å
107A98.1Very high95.7Very high0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-58.2-43.9172.400000111.9S73 F76 C103 Q104 V105 T110 A111 L151S73-A107 WeakPolarHBondContact CB-O 3.29Å; S73-A107 WeakPolarHBondContact O-CB 3.49Å; S73-A107 PolarHBondContact OG-O 2.91Å; F76-A107 HydrophobicContact CB-CB 3.81Å; C103-A107 PolarHBondContact O-N 2.83Å; Q104-A107 WeakPolarHBondContact O-CB 3.37Å; Q104-A107 PolarHBondContact O-N 3.31Å; V105-A107 VanDerWaalsContact C-N 3.31Å; V105-A107 PolarHBondContact O-N 3.16Å; A107-T110 PolarHBondContact O-N 3.45Å; A107-T110 PolarHBondContact O-OG1 3.17Å; A107-T110 VanDerWaalsContact O-OG1 3.11Å; A107-A111 WeakPolarHBondContact O-CB 3.37Å; A107-A111 PolarHBondContact O-N 2.92Å; A107-L151 HydrophobicContact CB-CD1 4.3Å; A107-L151 HydrophobicContact CB-CD2 4.26Å
108G98Very high96Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-60.9-44.117600000112.9Q104 V105 F106 F112Q104-G108 PolarHBondContact O-N 2.86Å; V105-G108 WeakPolarHBondContact O-CA 3.44Å; V105-G108 PolarHBondContact O-N 2.98Å; V105-G108 VanDerWaalsContact O-N 3.09Å; F106-G108 VanDerWaalsContact C-N 3.3Å; F106-G108 PolarHBondContact O-N 3.26Å; G108-F112 VanDerWaalsContact O-CB 3.28Å; G108-F112 WeakPolarHBondContact O-CB 3.45Å; G108-F112 PolarHBondContact O-N 3.19Å
109L98.1Very high96.3Very high83 Ų8332.1 Ų32.144%0.43517%0.165SC..Hα-helixtrans-66.9-40.3179.6-67.7175.9000112.7V105 F106 F112 A113 L152V105-L109 HydrophobicContact CG1-CD1 4.15Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 3.35Å; F106-L109 HydrophobicContact CD1-CD1 4.36Å; F106-L109 PolarHBondContact O-N 3.44Å; L109-F112 PolarHBondContact O-N 2.91Å; L109-A113 WeakPolarHBondContact O-CB 3.07Å; L109-A113 PolarHBondContact O-N 3.3Å; L109-L152 HydrophobicContact CD2-CD2 4.4Å; L109-L152 HydrophobicContact CG-CD2 4.42Å
110T98.1Very high96.4Very high16 Ų1633 Ų3310%0.09817%0.174CC..Hα-helixtrans-71-39.4177.857.70000111.7L69 L72 S73 F106 A107 F112 A113 A114L69-T110 HydrophobicContact CD2-CG2 4.32Å; L72-T110 HydrophobicContact CD2-CG2 3.79Å; L72-T110 HydrophobicContact CG-CG2 4.11Å; S73-T110 WeakPolarHBondContact CA-OG1 3.29Å; S73-T110 VanDerWaalsContact CB-OG1 3.24Å; S73-T110 WeakPolarHBondContact CB-OG1 3.49Å; S73-T110 PolarHBondContact N-OG1 3.05Å; F106-T110 WeakPolarHBondContact O-CG2 3.28Å; F106-T110 PolarHBondContact O-N 2.88Å; F106-T110 PolarHBondContact O-OG1 3.36Å; A107-T110 PolarHBondContact O-N 3.45Å; A107-T110 PolarHBondContact O-OG1 3.17Å; A107-T110 VanDerWaalsContact O-OG1 3.11Å; T110-F112 VanDerWaalsContact C-N 3.33Å; T110-F112 PolarHBondContact O-N 3.07Å; T110-A113 PolarHBondContact O-N 3.19Å; T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 2.93Å
111A98.1Very high96.2Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-61.9-41.5171.900000111.8L19 S73 A107 A114 A115 V148 L151L19-A111 HydrophobicContact CD1-CB 4.18Å; S73-A111 WeakPolarHBondContact OG-CB 3.44Å; A107-A111 WeakPolarHBondContact O-CB 3.37Å; A107-A111 PolarHBondContact O-N 2.92Å; A111-A114 PolarHBondContact O-N 3.36Å; A111-A115 WeakPolarHBondContact O-CB 3.44Å; A111-A115 PolarHBondContact O-N 3.36Å; A111-V148 HydrophobicContact CB-CG2 4.16Å; A111-L151 HydrophobicContact CB-CD1 4.24Å
112F98.2Very high95.9Very high82 Ų8236 Ų3636%0.3619%0.189SC..Hα-helixtrans-62.8-45.6176.5179.4-116.8000111.8G108 L109 T110 A114 A115 L116 W145 V148G108-F112 VanDerWaalsContact O-CB 3.28Å; G108-F112 WeakPolarHBondContact O-CB 3.45Å; G108-F112 PolarHBondContact O-N 3.19Å; L109-F112 PolarHBondContact O-N 2.91Å; T110-F112 VanDerWaalsContact C-N 3.33Å; T110-F112 PolarHBondContact O-N 3.07Å; F112-A114 PolarHBondContact O-N 3Å; F112-A115 PolarHBondContact O-N 3.49Å; F112-L116 HydrophobicContact CD1-CD1 3.84Å; F112-L116 HydrophobicContact CD2-CD1 4.34Å; F112-L116 HydrophobicContact CD2-CG 4.31Å; F112-L116 HydrophobicContact CE1-CD1 3.36Å; F112-L116 HydrophobicContact CE1-CG 4.3Å; F112-L116 HydrophobicContact CE2-CD1 3.91Å; F112-L116 HydrophobicContact CE2-CD2 4.37Å; F112-L116 HydrophobicContact CE2-CG 4.01Å; F112-L116 HydrophobicContact CG-CD1 4.32Å; F112-L116 HydrophobicContact CZ-CD1 3.41Å; F112-L116 VanDerWaalsContact CZ-CD1 3.41Å; F112-L116 HydrophobicContact CZ-CD2 4.39Å; F112-L116 HydrophobicContact CZ-CG 4.02Å; F112-L116 WeakPolarHBondContact O-CB 3.26Å; F112-L116 WeakPolarHBondContact O-CG 3.28Å; F112-L116 PolarHBondContact O-N 3.42Å; F112-W145 AromaticContact CD2-CH2 3.93Å; F112-W145 HydrophobicContact CD2-CH2 3.93Å; F112-W145 AromaticContact CD2-CZ3 3.69Å; F112-W145 HydrophobicContact CD2-CZ3 3.69Å; F112-W145 AromaticContact CE2-CH2 3.63Å; F112-W145 HydrophobicContact CE2-CH2 3.63Å; F112-W145 AromaticContact CE2-CZ3 3.54Å; F112-W145 HydrophobicContact CE2-CZ3 3.54Å; F112-V148 HydrophobicContact CB-CG1 3.8Å; F112-V148 HydrophobicContact CB-CG2 3.84Å; F112-V148 HydrophobicContact CD2-CG1 3.91Å; F112-V148 HydrophobicContact CD2-CG2 4.38Å; F112-V148 HydrophobicContact CG-CG1 4.16Å
113A98.1Very high95.3Very high32 Ų3237.6 Ų37.626%0.26419%0.194SC..Hα-helixtrans-61.3-43175.500000111.9L69 L109 T110 L116 I117L69-A113 HydrophobicContact CD1-CB 3.95Å; L109-A113 WeakPolarHBondContact O-CB 3.07Å; L109-A113 PolarHBondContact O-N 3.3Å; T110-A113 PolarHBondContact O-N 3.19Å; A113-L116 PolarHBondContact O-N 3.04Å; A113-I117 WeakPolarHBondContact O-CB 3.46Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.44Å; A113-I117 PolarHBondContact O-N 3.42Å
114A96.8Very high94.7Very high0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-59.2-51176.400000111.7V66 L69 M70 T110 A111 F112 L116 I117 Y118V66-A114 HydrophobicContact CG1-CB 4.06Å; L69-A114 HydrophobicContact CB-CB 3.7Å; L69-A114 HydrophobicContact CD1-CB 4.45Å; M70-A114 HydrophobicContact CG-CB 3.81Å; M70-A114 HydrophobicContact SD-CB 3.67Å; T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 2.93Å; A111-A114 PolarHBondContact O-N 3.36Å; F112-A114 PolarHBondContact O-N 3Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.42Å; A114-I117 PolarHBondContact O-N 3.41Å; A114-Y118 WeakPolarHBondContact O-CB 3.23Å; A114-Y118 PolarHBondContact O-N 2.92Å
115A95.9Very high94.1Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-62.4-40.8179.700000111.8A111 F112 Y118 T119 W145A111-A115 WeakPolarHBondContact O-CB 3.44Å; A111-A115 PolarHBondContact O-N 3.36Å; F112-A115 PolarHBondContact O-N 3.49Å; A115-Y118 PolarHBondContact O-N 3.47Å; A115-T119 WeakPolarHBondContact O-CG2 3.38Å; A115-T119 PolarHBondContact O-N 3.37Å; A115-T119 PolarHBondContact O-OG1 2.99Å; A115-W145 HydrophobicContact CB-CD2 4.18Å; A115-W145 HydrophobicContact CB-CG 4.42Å; A115-W145 HydrophobicContact CB-CZ2 4.06Å
116L96.8Very high93.3Very high57 Ų5742.2 Ų42.230%0.29821%0.213SC..Hα-helixtrans-64.2-49175.6-80.7179.5000112.8F112 A113 A114 Y118 T119 L120 W145F112-L116 HydrophobicContact CD1-CD1 3.84Å; F112-L116 HydrophobicContact CD2-CD1 4.34Å; F112-L116 HydrophobicContact CD2-CG 4.31Å; F112-L116 HydrophobicContact CE1-CD1 3.36Å; F112-L116 HydrophobicContact CE1-CG 4.3Å; F112-L116 HydrophobicContact CE2-CD1 3.91Å; F112-L116 HydrophobicContact CE2-CD2 4.37Å; F112-L116 HydrophobicContact CE2-CG 4.01Å; F112-L116 HydrophobicContact CG-CD1 4.32Å; F112-L116 HydrophobicContact CZ-CD1 3.41Å; F112-L116 VanDerWaalsContact CZ-CD1 3.41Å; F112-L116 HydrophobicContact CZ-CD2 4.39Å; F112-L116 HydrophobicContact CZ-CG 4.02Å; F112-L116 WeakPolarHBondContact O-CB 3.26Å; F112-L116 WeakPolarHBondContact O-CG 3.28Å; F112-L116 PolarHBondContact O-N 3.42Å; A113-L116 PolarHBondContact O-N 3.04Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.42Å; L116-Y118 VanDerWaalsContact C-N 3.25Å; L116-Y118 PolarHBondContact O-N 2.81Å; L116-T119 WeakPolarHBondContact CA-OG1 3.33Å; L116-T119 PolarHBondContact O-N 3.01Å; L116-T119 VanDerWaalsContact O-N 3.14Å; L116-T119 PolarHBondContact O-OG1 3.06Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.49Å; L116-W145 HydrophobicContact CD2-CH2 3.74Å; L116-W145 HydrophobicContact CD2-CZ2 4.01Å; L116-W145 HydrophobicContact CG-CH2 4.1Å; L116-W145 HydrophobicContact CG-CZ2 4.39Å
117I95.8Very high91.8Very high36 Ų3643 Ų4319%0.18522%0.218CC..Hα-helixtrans-59.1-43.9178.9-70.1166.5000109.5W62 V66 L69 A113 A114 T119 L120 H121W62-I117 HydrophobicContact CB-CG2 4.44Å; W62-I117 HydrophobicContact CE3-CG2 3.82Å; V66-I117 HydrophobicContact CG2-CB 3.99Å; V66-I117 HydrophobicContact CG2-CG2 3.69Å; L69-I117 HydrophobicContact CD1-CD1 3.6Å; A113-I117 WeakPolarHBondContact O-CB 3.46Å; A113-I117 VanDerWaalsContact O-CG1 3.26Å; A113-I117 WeakPolarHBondContact O-CG1 3.44Å; A113-I117 PolarHBondContact O-N 3.42Å; A114-I117 PolarHBondContact O-N 3.41Å; I117-T119 PolarHBondContact O-N 2.99Å; I117-L120 PolarHBondContact O-N 3.19Å; I117-H121 WeakPolarHBondContact O-CB 3.3Å; I117-H121 PolarHBondContact O-N 3.19Å; I117-H121 PolarHBondContact O-ND1 3.42Å
118Y92.9Very high90.2Very high1 Ų146 Ų460%0.00424%0.235CC..Hα-helixtrans-61.2-43176.5-164.9-89.9000112.1W28 W29 V66 A114 A115 L116 N122 I125 F137 F141W28-Y118 HydrophobicContact CB-CE1 4.45Å; W28-Y118 HydrophobicContact CB-CE2 4.38Å; W28-Y118 AromaticContact CE3-CD1 3.72Å; W28-Y118 HydrophobicContact CE3-CD1 3.72Å; W28-Y118 AromaticContact CE3-CD2 3.53Å; W28-Y118 HydrophobicContact CE3-CD2 3.53Å; W28-Y118 AromaticContact CE3-CE1 3.92Å; W28-Y118 HydrophobicContact CE3-CE1 3.92Å; W28-Y118 AromaticContact CE3-CE2 3.73Å; W28-Y118 HydrophobicContact CE3-CE2 3.73Å; W28-Y118 AromaticContact CE3-CG 3.52Å; W28-Y118 HydrophobicContact CE3-CG 3.52Å; W28-Y118 AromaticContact CE3-CZ 3.93Å; W28-Y118 HydrophobicContact CZ3-CD1 4.1Å; W28-Y118 AromaticContact CZ3-CD2 3.82Å; W28-Y118 HydrophobicContact CZ3-CD2 3.82Å; W28-Y118 HydrophobicContact CZ3-CE2 4.47Å; W28-Y118 AromaticContact CZ3-CG 3.61Å; W28-Y118 HydrophobicContact CZ3-CG 3.61Å; W29-Y118 WeakPolarHBondContact CB-OH 3.36Å; V66-Y118 HydrophobicContact CG1-CD2 4.3Å; V66-Y118 HydrophobicContact CG2-CD2 4.41Å; A114-Y118 WeakPolarHBondContact O-CB 3.23Å; A114-Y118 PolarHBondContact O-N 2.92Å; A115-Y118 PolarHBondContact O-N 3.47Å; L116-Y118 VanDerWaalsContact C-N 3.25Å; L116-Y118 PolarHBondContact O-N 2.81Å; Y118-N122 WeakPolarHBondContact O-CA 3.48Å; Y118-N122 VanDerWaalsContact O-CB 3.25Å; Y118-N122 WeakPolarHBondContact O-CB 3.34Å; Y118-N122 PolarHBondContact O-N 2.85Å; Y118-I125 HydrophobicContact CD2-CD1 3.76Å; Y118-I125 HydrophobicContact CE2-CD1 4.28Å; Y118-I125 HydrophobicContact CE2-CG2 4.04Å; Y118-I125 HydrophobicContact CG-CD1 4.33Å; Y118-F137 HydrophobicContact CD1-CD1 4.49Å; Y118-F137 HydrophobicContact CD1-CE1 4.08Å; Y118-F137 HydrophobicContact CE1-CD1 4.23Å; Y118-F137 HydrophobicContact CE1-CE1 4.09Å; Y118-F141 AromaticContact CD1-CD2 3.71Å; Y118-F141 HydrophobicContact CD1-CD2 3.71Å; Y118-F141 AromaticContact CD1-CE2 3.91Å; Y118-F141 HydrophobicContact CD1-CE2 3.91Å; Y118-F141 HydrophobicContact CE1-CD2 4.26Å; Y118-F141 HydrophobicContact CG-CD2 4.49Å
119T92.7Very high88.2Confident39 Ų3950.3 Ų50.324%0.23927%0.265CS..Hα-helixtrans-62.7-42.5176.147.60000113.8A115 L116 I117 F137 F141 W145A115-T119 WeakPolarHBondContact O-CG2 3.38Å; A115-T119 PolarHBondContact O-N 3.37Å; A115-T119 PolarHBondContact O-OG1 2.99Å; L116-T119 WeakPolarHBondContact CA-OG1 3.33Å; L116-T119 PolarHBondContact O-N 3.01Å; L116-T119 VanDerWaalsContact O-N 3.14Å; L116-T119 PolarHBondContact O-OG1 3.06Å; I117-T119 PolarHBondContact O-N 2.99Å; T119-F137 HydrophobicContact CG2-CZ 4.36Å; T119-F141 HydrophobicContact CG2-CE1 4.42Å; T119-F141 HydrophobicContact CG2-CE2 3.58Å; T119-F141 HydrophobicContact CG2-CZ 3.22Å; T119-W145 HydrophobicContact CG2-CZ2 4.36Å
120L92.9Very high86Confident128 Ų12856.6 Ų56.667%0.6728%0.283SS*.Hα-helixtrans-81-33.1-171.4-67.1173.8000112.1L116 I117L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.49Å; I117-L120 PolarHBondContact O-N 3.19Å
121H90.4Very high84.1Confident40 Ų4059.3 Ų59.319%0.18529%0.293CS..SBendtrans-111.520.4-176.2-56.286.7000112.2W62 I117 Q123 E124 I125W62-H121 HydrophobicContact CB-CB 4.1Å; W62-H121 HydrophobicContact CD2-CB 4.09Å; W62-H121 AromaticContact CD2-CD2 3.7Å; W62-H121 AromaticContact CD2-CG 3.71Å; W62-H121 AromaticContact CE2-CD2 3.33Å; W62-H121 AromaticContact CE2-CG 3.86Å; W62-H121 AromaticContact CE2-NE2 3.73Å; W62-H121 AromaticContact CE3-ND1 3.99Å; W62-H121 HydrophobicContact CG-CB 3.81Å; W62-H121 AromaticContact CG-CG 3.98Å; W62-H121 AromaticContact CH2-CE1 3.84Å; W62-H121 AromaticContact CH2-NE2 3.5Å; W62-H121 WeakPolarHBondContact CH2-NE2 3.34Å; W62-H121 AromaticContact CZ2-CD2 3.52Å; W62-H121 AromaticContact CZ2-NE2 3.4Å; W62-H121 WeakPolarHBondContact CZ2-NE2 3.26Å; W62-H121 AromaticContact CZ3-CE1 3.82Å; W62-H121 AromaticContact CZ3-NE2 3.92Å; W62-H121 AromaticContact NE1-CD2 3.61Å; I117-H121 WeakPolarHBondContact O-CB 3.3Å; I117-H121 PolarHBondContact O-N 3.19Å; I117-H121 PolarHBondContact O-ND1 3.42Å; H121-Q123 PolarHBondContact O-N 3.23Å; H121-E124 IonicContact CD2-OE1 3.75Å; H121-E124 PolarHBondContact O-N 3.3Å; H121-I125 HydrophobicContact CB-CD1 4.43Å; H121-I125 WeakPolarHBondContact O-CB 3.49Å; H121-I125 VanDerWaalsContact O-CG1 3.29Å; H121-I125 WeakPolarHBondContact O-CG1 3.49Å; H121-I125 PolarHBondContact O-N 2.92Å
122N86.9Confident82.3Confident23 Ų2360.8 Ų60.812%0.12330%0.301CS..Hα-helixtrans-55-37.1179.961.8-4.1000112.6Y118 E124 I125 L126Y118-N122 WeakPolarHBondContact O-CA 3.48Å; Y118-N122 VanDerWaalsContact O-CB 3.25Å; Y118-N122 WeakPolarHBondContact O-CB 3.34Å; Y118-N122 PolarHBondContact O-N 2.85Å; N122-E124 VanDerWaalsContact C-N 3.35Å; N122-E124 PolarHBondContact O-N 2.67Å; N122-I125 PolarHBondContact O-N 3.35Å; N122-L126 VanDerWaalsContact O-CB 3.3Å; N122-L126 WeakPolarHBondContact O-CB 3.3Å; N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.39Å; N122-L126 PolarHBondContact O-N 3.45Å
123Q84.4Confident80.6Confident120 Ų12062.9 Ų62.956%0.56132%0.321SS*.Hα-helixtrans-64.2-40.7178.4-54.8-163.6-4500112H121 Q127 L132H121-Q123 PolarHBondContact O-N 3.23Å; Q123-Q127 PolarHBondContact O-N 3.37Å; Q123-L132 HydrophobicContact CG-CD2 3.79Å
124E84.6Confident79.4Confident107 Ų10767.3 Ų67.350%0.534%0.336SS..Hα-helixtrans-76-34.9179.6-62.4-177.3-143.900111.6W62 H121 N122 Q127W62-E124 PolarHBondContact NE1-OE2 2.92Å; H121-E124 IonicContact CD2-OE1 3.75Å; H121-E124 PolarHBondContact O-N 3.3Å; N122-E124 VanDerWaalsContact C-N 3.35Å; N122-E124 PolarHBondContact O-N 2.67Å; E124-Q127 WeakPolarHBondContact O-CG 3.12Å
125I83Confident78.6Confident9 Ų968.3 Ų68.35%0.04635%0.346CS..Hα-helixtrans-66-45.4175.7-71.3168.3000110.7W62 L63 V66 Y118 H121 N122 Q127W62-I125 HydrophobicContact CB-CD1 4.09Å; W62-I125 HydrophobicContact CB-CG1 3.69Å; L63-I125 HydrophobicContact CB-CG1 4.37Å; L63-I125 HydrophobicContact CB-CG2 4.17Å; L63-I125 HydrophobicContact CD1-CG2 3.9Å; L63-I125 HydrophobicContact CG-CG2 4.44Å; V66-I125 HydrophobicContact CG2-CD1 4.38Å; Y118-I125 HydrophobicContact CD2-CD1 3.76Å; Y118-I125 HydrophobicContact CE2-CD1 4.28Å; Y118-I125 HydrophobicContact CE2-CG2 4.04Å; Y118-I125 HydrophobicContact CG-CD1 4.33Å; H121-I125 HydrophobicContact CB-CD1 4.43Å; H121-I125 WeakPolarHBondContact O-CB 3.49Å; H121-I125 VanDerWaalsContact O-CG1 3.29Å; H121-I125 WeakPolarHBondContact O-CG1 3.49Å; H121-I125 PolarHBondContact O-N 2.92Å; N122-I125 PolarHBondContact O-N 3.35Å; I125-Q127 VanDerWaalsContact C-N 3.33Å
126L80.6Confident78.2Confident22 Ų2272.8 Ų72.812%0.11537%0.366CS..Hα-helixtrans-84.2-8.8-174.3-62.6171.5000113W29 W31 N122 D128 L132W29-L126 HydrophobicContact CB-CD1 4.37Å; W29-L126 HydrophobicContact CB-CD2 4.36Å; W29-L126 HydrophobicContact CD2-CD1 3.54Å; W29-L126 HydrophobicContact CE3-CD1 4.01Å; W29-L126 HydrophobicContact CG-CD1 3.7Å; W29-L126 HydrophobicContact CG-CD2 4.34Å; W29-L126 HydrophobicContact CZ2-CD1 4.29Å; W31-L126 HydrophobicContact CH2-CD2 3.78Å; W31-L126 HydrophobicContact CZ2-CD1 4.37Å; W31-L126 HydrophobicContact CZ2-CD2 3.98Å; N122-L126 VanDerWaalsContact O-CB 3.3Å; N122-L126 WeakPolarHBondContact O-CB 3.3Å; N122-L126 VanDerWaalsContact O-CG 3.26Å; N122-L126 WeakPolarHBondContact O-CG 3.39Å; N122-L126 PolarHBondContact O-N 3.45Å; L126-D128 PolarHBondContact O-N 2.92Å; L126-L132 HydrophobicContact CB-CD1 4.13Å; L126-L132 HydrophobicContact CD1-CD1 3.54Å; L126-L132 HydrophobicContact CG-CD1 4.42Å
127Q68.5Low77.9Confident108 Ų10873.4 Ų73.451%0.50537%0.367SS..  trans46.91.7174.5-67.2-161.8-15.900117.8K58 T60 Q123 E124 I125K58-Q127 VanDerWaalsContact CE-OE1 3.3Å; T60-Q127 HydrophobicContact CG2-CG 3.92Å; Q123-Q127 PolarHBondContact O-N 3.37Å; E124-Q127 WeakPolarHBondContact O-CG 3.12Å; I125-Q127 VanDerWaalsContact C-N 3.33Å
128D64.3Low77.7Confident63 Ų6371.9 Ų71.934%0.33736%0.36SS..  trans-129.981.8-178.3-160.4-9.3000109.4L126 R130 K131 L132L126-D128 PolarHBondContact O-N 2.92Å; D128-R130 PolarHBondContact O-N 3.35Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-K131 HydrophobicContact CB-CB 4.36Å; D128-K131 HydrophobicContact CB-CD 4.47Å; D128-K131 HydrophobicContact CB-CG 4.39Å; D128-K131 PolarHBondContact O-N 2.94Å; D128-K131 WeakPolarHBondContact OD2-CD 3.49Å; D128-K131 WeakPolarHBondContact OD2-CG 3.39Å; D128-L132 PolarHBondContact O-N 2.77Å
129S54.3Low77.6Confident91 Ų9177 Ų7764%0.63638%0.38SS*.THydrogen-bonded Turntrans-61.2-19.4-177.835.80000113.4
130R53.3Low77.6Confident215 Ų21575.1 Ų75.181%0.81137%0.368SS*.THydrogen-bonded Turntrans-74.1-31.2173.2-88.6-178.4-79.8177.6-5.1113D128 T133D128-R130 PolarHBondContact O-N 3.35Å; D128-R130 VanDerWaalsContact O-N 3.13Å; R130-T133 PolarHBondContact O-OG1 3.09Å
131K57.1Low77.7Confident73 Ų7369.7 Ų69.732%0.31734%0.34SS..THydrogen-bonded Turntrans-84.9-15.1178.1-68.6-169.7174.8-162.50113.8W31 E35 D128 T133 E134W31-K131 PolarHBondContact NE1-O 3.16Å; E35-K131 IonicContact OE1-NZ 3.72Å; E35-K131 IonicContact OE2-NZ 2.77Å; E35-K131 PolarHBondContact OE2-NZ 2.75Å; D128-K131 HydrophobicContact CB-CB 4.36Å; D128-K131 HydrophobicContact CB-CD 4.47Å; D128-K131 HydrophobicContact CB-CG 4.39Å; D128-K131 PolarHBondContact O-N 2.94Å; D128-K131 WeakPolarHBondContact OD2-CD 3.49Å; D128-K131 WeakPolarHBondContact OD2-CG 3.39Å; K131-T133 PolarHBondContact O-N 2.73Å; K131-E134 PolarHBondContact O-N 3.01Å
132L61.2Low77.9Confident30 Ų3072.5 Ų72.516%0.15736%0.355CS..G310 helixtrans-64.3-30.5-178-149.493.5000112.8W29 Q123 L126 D128 E134 G135W29-L132 HydrophobicContact CH2-CD1 4.46Å; W29-L132 HydrophobicContact CH2-CG 4.24Å; W29-L132 HydrophobicContact CZ2-CD1 4.18Å; W29-L132 HydrophobicContact CZ2-CG 4.02Å; Q123-L132 HydrophobicContact CG-CD2 3.79Å; L126-L132 HydrophobicContact CB-CD1 4.13Å; L126-L132 HydrophobicContact CD1-CD1 3.54Å; L126-L132 HydrophobicContact CG-CD1 4.42Å; D128-L132 PolarHBondContact O-N 2.77Å; L132-E134 PolarHBondContact O-N 3.03Å; L132-G135 PolarHBondContact O-N 3.13Å
133T62.9Low78.3Confident127 Ų12773.2 Ų73.278%0.77936%0.359SS*.G310 helixtrans-68-16.2178.60.30000114R130 K131R130-T133 PolarHBondContact O-OG1 3.09Å; K131-T133 PolarHBondContact O-N 2.73Å
134E73.1Confident78.8Confident125 Ų12567.5 Ų67.558%0.58433%0.332SS*.G310 helixtrans-11216.8-176.2-60.6-178173.600112.1W31 D32 K131 L132W31-E134 WeakPolarHBondContact CA-O 3.29Å; D32-E134 PolarHBondContact N-O 3.09Å; K131-E134 PolarHBondContact O-N 3.01Å; L132-E134 PolarHBondContact O-N 3.03Å
135G79.2Confident79.4Confident20 Ų2066.2 Ų66.221%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-135.2164.3-177.600000114.1W29 V30 L132W29-G135 WeakPolarHBondContact CZ2-O 3.39Å; V30-G135 CarbonylContact O-C 3.49Å; V30-G135 WeakPolarHBondContact O-CA 3.37Å; L132-G135 PolarHBondContact O-N 3.13Å
136H87.4Confident80.1Confident94 Ų9469 Ų6944%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-141162.4-179.158.7-86000111.2V30 D32 G138V30-H136 PolarHBondContact N-O 2.82Å; V30-H136 PolarHBondContact O-N 3.47Å; D32-H136 IonicContact OD1-ND1 3.86Å; H136-G138 PolarHBondContact O-N 3.42Å
137F90.2Very high80.8Confident71 Ų7168 Ų6831%0.31133%0.334SS..EExtended strand (participates in β ladder)trans-64.4128.2174.8-68.8-74.6000110.8W29 Y118 T119 F141W29-F137 AromaticContact CE3-CD1 3.95Å; W29-F137 HydrophobicContact CE3-CD1 3.95Å; W29-F137 HydrophobicContact CE3-CE1 4.15Å; W29-F137 HydrophobicContact CE3-CG 4.36Å; W29-F137 AromaticContact CZ3-CD1 3.95Å; W29-F137 HydrophobicContact CZ3-CD1 3.95Å; W29-F137 HydrophobicContact CZ3-CD2 4.27Å; W29-F137 AromaticContact CZ3-CE1 3.9Å; W29-F137 HydrophobicContact CZ3-CE1 3.9Å; W29-F137 HydrophobicContact CZ3-CE2 4.22Å; W29-F137 HydrophobicContact CZ3-CG 4.15Å; W29-F137 HydrophobicContact CZ3-CZ 4.04Å; Y118-F137 HydrophobicContact CD1-CD1 4.49Å; Y118-F137 HydrophobicContact CD1-CE1 4.08Å; Y118-F137 HydrophobicContact CE1-CD1 4.23Å; Y118-F137 HydrophobicContact CE1-CE1 4.09Å; T119-F137 HydrophobicContact CG2-CZ 4.36Å; F137-F141 HydrophobicContact CB-CD1 3.55Å; F137-F141 HydrophobicContact CB-CE1 4Å; F137-F141 HydrophobicContact CB-CG 4.22Å; F137-F141 HydrophobicContact CD1-CB 4.47Å; F137-F141 AromaticContact CD1-CD1 3.49Å; F137-F141 HydrophobicContact CD1-CD1 3.49Å; F137-F141 VanDerWaalsContact CD1-CD1 3.49Å; F137-F141 AromaticContact CD1-CD2 3.92Å; F137-F141 HydrophobicContact CD1-CD2 3.92Å; F137-F141 AromaticContact CD1-CE1 3.52Å; F137-F141 HydrophobicContact CD1-CE1 3.52Å; F137-F141 AromaticContact CD1-CE2 3.96Å; F137-F141 HydrophobicContact CD1-CE2 3.96Å; F137-F141 AromaticContact CD1-CG 3.68Å; F137-F141 HydrophobicContact CD1-CG 3.68Å; F137-F141 AromaticContact CD1-CZ 3.75Å; F137-F141 HydrophobicContact CD1-CZ 3.75Å; F137-F141 HydrophobicContact CD2-CE1 4.2Å; F137-F141 HydrophobicContact CE1-CD1 4.33Å; F137-F141 HydrophobicContact CE1-CD2 4.27Å; F137-F141 AromaticContact CE1-CE1 3.98Å; F137-F141 HydrophobicContact CE1-CE1 3.98Å; F137-F141 AromaticContact CE1-CE2 3.93Å; F137-F141 HydrophobicContact CE1-CE2 3.93Å; F137-F141 HydrophobicContact CE1-CG 4.45Å; F137-F141 AromaticContact CE1-CZ 3.76Å; F137-F141 HydrophobicContact CE1-CZ 3.76Å; F137-F141 AromaticContact CG-CD1 3.64Å; F137-F141 HydrophobicContact CG-CD1 3.64Å; F137-F141 AromaticContact CG-CE1 3.64Å; F137-F141 HydrophobicContact CG-CE1 3.64Å; F137-F141 HydrophobicContact CG-CG 4.25Å; F137-F141 HydrophobicContact CG-CZ 4.27Å; F137-F141 HydrophobicContact CZ-CZ 4.29Å
138G90.9Very high82.2Confident3 Ų363.2 Ų63.23%0.03131%0.313CS..  trans-80.1175.4178.400000113S27 W28 H136 C140 F141 I142S27-G138 CarbonylContact O-C 3.09Å; S27-G138 WeakPolarHBondContact O-CA 3.49Å; W28-G138 PolarHBondContact O-N 2.94Å; H136-G138 PolarHBondContact O-N 3.42Å; G138-C140 VanDerWaalsContact C-N 3.32Å; G138-C140 PolarHBondContact O-N 3.27Å; G138-F141 PolarHBondContact O-N 2.95Å; G138-I142 PolarHBondContact O-N 3.46Å
139Y92.2Very high83.8Confident108 Ų10863.1 Ų63.142%0.42432%0.315SS..Hα-helixtrans-69.6-27.8-173.481.4-91.3000113.1I21 E25 S27 F141 I142 L143I21-Y139 HydrophobicContact CG2-CE2 4.07Å; E25-Y139 VanDerWaalsContact CB-OH 3.32Å; E25-Y139 WeakPolarHBondContact CB-OH 3.37Å; S27-Y139 PolarHBondContact O-N 3.41Å; S27-Y139 VanDerWaalsContact OG-CD1 3.26Å; S27-Y139 WeakPolarHBondContact OG-CD1 3.47Å; S27-Y139 PolarHBondContact OG-N 3.36Å; Y139-F141 VanDerWaalsContact C-N 3.31Å; Y139-F141 PolarHBondContact O-N 2.94Å; Y139-I142 PolarHBondContact O-N 3.3Å; Y139-L143 HydrophobicContact CD2-CD1 3.55Å; Y139-L143 HydrophobicContact CD2-CG 4.22Å; Y139-L143 HydrophobicContact CE2-CD1 3.67Å; Y139-L143 WeakPolarHBondContact O-CB 3.45Å; Y139-L143 WeakPolarHBondContact O-CG 3.41Å; Y139-L143 PolarHBondContact O-N 3.13Å
140C93.3Very high85.8Confident0 Ų061 Ų610%030%0.297CS..Hα-helixtrans-66.7-36.9178.9-66.70000111.2A22 E25 S27 W28 G138 L143 A144A22-C140 WeakPolarHBondContact CB-O 3.28Å; E25-C140 VanDerWaalsContact CB-SG 3.57Å; E25-C140 PolarHBondContact O-SG 3.06Å; S27-C140 VanDerWaalsContact O-CB 3.3Å; S27-C140 WeakPolarHBondContact O-CB 3.43Å; S27-C140 PolarHBondContact O-N 2.96Å; W28-C140 HydrophobicContact CG-CB 4.39Å; G138-C140 VanDerWaalsContact C-N 3.32Å; G138-C140 PolarHBondContact O-N 3.27Å; C140-L143 PolarHBondContact O-N 3.02Å; C140-A144 PolarHBondContact O-N 2.94Å
141F93.8Very high87.9Confident15 Ų1550.8 Ų50.87%0.06626%0.258CS..Hα-helixtrans-64.6-42.3173171-91.7000111.7W28 Y118 T119 F137 G138 Y139 L143 A144 W145W28-F141 HydrophobicContact CD2-CB 4.4Å; W28-F141 HydrophobicContact CE3-CB 4.3Å; W28-F141 AromaticContact CE3-CD2 3.98Å; W28-F141 HydrophobicContact CE3-CD2 3.98Å; W28-F141 HydrophobicContact CZ3-CD2 4.04Å; Y118-F141 AromaticContact CD1-CD2 3.71Å; Y118-F141 HydrophobicContact CD1-CD2 3.71Å; Y118-F141 AromaticContact CD1-CE2 3.91Å; Y118-F141 HydrophobicContact CD1-CE2 3.91Å; Y118-F141 HydrophobicContact CE1-CD2 4.26Å; Y118-F141 HydrophobicContact CG-CD2 4.49Å; T119-F141 HydrophobicContact CG2-CE1 4.42Å; T119-F141 HydrophobicContact CG2-CE2 3.58Å; T119-F141 HydrophobicContact CG2-CZ 3.22Å; F137-F141 HydrophobicContact CB-CD1 3.55Å; F137-F141 HydrophobicContact CB-CE1 4Å; F137-F141 HydrophobicContact CB-CG 4.22Å; F137-F141 HydrophobicContact CD1-CB 4.47Å; F137-F141 AromaticContact CD1-CD1 3.49Å; F137-F141 HydrophobicContact CD1-CD1 3.49Å; F137-F141 VanDerWaalsContact CD1-CD1 3.49Å; F137-F141 AromaticContact CD1-CD2 3.92Å; F137-F141 HydrophobicContact CD1-CD2 3.92Å; F137-F141 AromaticContact CD1-CE1 3.52Å; F137-F141 HydrophobicContact CD1-CE1 3.52Å; F137-F141 AromaticContact CD1-CE2 3.96Å; F137-F141 HydrophobicContact CD1-CE2 3.96Å; F137-F141 AromaticContact CD1-CG 3.68Å; F137-F141 HydrophobicContact CD1-CG 3.68Å; F137-F141 AromaticContact CD1-CZ 3.75Å; F137-F141 HydrophobicContact CD1-CZ 3.75Å; F137-F141 HydrophobicContact CD2-CE1 4.2Å; F137-F141 HydrophobicContact CE1-CD1 4.33Å; F137-F141 HydrophobicContact CE1-CD2 4.27Å; F137-F141 AromaticContact CE1-CE1 3.98Å; F137-F141 HydrophobicContact CE1-CE1 3.98Å; F137-F141 AromaticContact CE1-CE2 3.93Å; F137-F141 HydrophobicContact CE1-CE2 3.93Å; F137-F141 HydrophobicContact CE1-CG 4.45Å; F137-F141 AromaticContact CE1-CZ 3.76Å; F137-F141 HydrophobicContact CE1-CZ 3.76Å; F137-F141 AromaticContact CG-CD1 3.64Å; F137-F141 HydrophobicContact CG-CD1 3.64Å; F137-F141 AromaticContact CG-CE1 3.64Å; F137-F141 HydrophobicContact CG-CE1 3.64Å; F137-F141 HydrophobicContact CG-CG 4.25Å; F137-F141 HydrophobicContact CG-CZ 4.27Å; F137-F141 HydrophobicContact CZ-CZ 4.29Å; G138-F141 PolarHBondContact O-N 2.95Å; Y139-F141 VanDerWaalsContact C-N 3.31Å; Y139-F141 PolarHBondContact O-N 2.94Å; F141-L143 VanDerWaalsContact C-N 3.35Å; F141-A144 WeakPolarHBondContact O-CB 3.4Å; F141-A144 PolarHBondContact O-N 3.32Å; F141-W145 AromaticContact CE1-CD1 3.45Å; F141-W145 VanDerWaalsContact CE1-CD1 3.45Å; F141-W145 AromaticContact CE1-NE1 3.61Å; F141-W145 AromaticContact CE2-CD1 3.77Å; F141-W145 AromaticContact CE2-NE1 3.44Å; F141-W145 AromaticContact CZ-CD1 3.3Å; F141-W145 AromaticContact CZ-NE1 2.97Å; F141-W145 PolarHBondContact O-N 3.38Å; F141-W145 VanDerWaalsContact O-N 3.16Å
142I94.9Very high89.8Confident98 Ų9849.9 Ų49.950%0.50326%0.256SS..Hα-helixtrans-63.7-42.6175.2-60.2171.2000110.4G138 Y139 A144 W145 V146G138-I142 PolarHBondContact O-N 3.46Å; Y139-I142 PolarHBondContact O-N 3.3Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 3.39Å; I142-W145 WeakPolarHBondContact O-CB 3.37Å; I142-W145 PolarHBondContact O-N 3.36Å; I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.43Å; I142-V146 PolarHBondContact O-N 2.94Å
143L95Very high91.4Very high39 Ų3953.1 Ų53.120%0.20427%0.273CS..Hα-helixtrans-60-41.9175.4-76.4174.7000111.9M18 I21 A22 Y139 C140 F141 W145 V146 C147M18-L143 HydrophobicContact CG-CD2 4.22Å; M18-L143 HydrophobicContact SD-CD2 4.1Å; I21-L143 HydrophobicContact CG2-CD1 3.73Å; A22-L143 HydrophobicContact CB-CB 4.14Å; Y139-L143 HydrophobicContact CD2-CD1 3.55Å; Y139-L143 HydrophobicContact CD2-CG 4.22Å; Y139-L143 HydrophobicContact CE2-CD1 3.67Å; Y139-L143 WeakPolarHBondContact O-CB 3.45Å; Y139-L143 WeakPolarHBondContact O-CG 3.41Å; Y139-L143 PolarHBondContact O-N 3.13Å; C140-L143 PolarHBondContact O-N 3.02Å; F141-L143 VanDerWaalsContact C-N 3.35Å; L143-W145 VanDerWaalsContact C-N 3.32Å; L143-W145 PolarHBondContact O-N 3.35Å; L143-V146 PolarHBondContact O-N 3.48Å; L143-C147 PolarHBondContact O-N 3.26Å; L143-C147 PolarHBondContact O-SG 2.64Å
144A95.9Very high92.9Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-58.3-45.4175.500000111.2A22 W28 M70 C140 F141 I142 V146 C147 V148A22-A144 HydrophobicContact CB-CB 4.25Å; W28-A144 HydrophobicContact CH2-CB 4.21Å; W28-A144 HydrophobicContact CZ2-CB 4.17Å; M70-A144 HydrophobicContact CE-CB 4.34Å; C140-A144 PolarHBondContact O-N 2.94Å; F141-A144 WeakPolarHBondContact O-CB 3.4Å; F141-A144 PolarHBondContact O-N 3.32Å; I142-A144 VanDerWaalsContact C-N 3.33Å; I142-A144 PolarHBondContact O-N 3.39Å; A144-V146 PolarHBondContact O-N 3.47Å; A144-C147 WeakPolarHBondContact O-CB 3.14Å; A144-C147 PolarHBondContact O-N 2.7Å; A144-V148 PolarHBondContact O-N 3.01Å
145W96.7Very high93.8Very high80 Ų8041.1 Ų41.130%0.30321%0.208SC..Hα-helixtrans-62.9-39.4175-88.2106.6000113.9F112 A115 L116 T119 F141 I142 L143 C147 V148 P149F112-W145 AromaticContact CD2-CH2 3.93Å; F112-W145 HydrophobicContact CD2-CH2 3.93Å; F112-W145 AromaticContact CD2-CZ3 3.69Å; F112-W145 HydrophobicContact CD2-CZ3 3.69Å; F112-W145 AromaticContact CE2-CH2 3.63Å; F112-W145 HydrophobicContact CE2-CH2 3.63Å; F112-W145 AromaticContact CE2-CZ3 3.54Å; F112-W145 HydrophobicContact CE2-CZ3 3.54Å; A115-W145 HydrophobicContact CB-CD2 4.18Å; A115-W145 HydrophobicContact CB-CG 4.42Å; A115-W145 HydrophobicContact CB-CZ2 4.06Å; L116-W145 HydrophobicContact CD2-CH2 3.74Å; L116-W145 HydrophobicContact CD2-CZ2 4.01Å; L116-W145 HydrophobicContact CG-CH2 4.1Å; L116-W145 HydrophobicContact CG-CZ2 4.39Å; T119-W145 HydrophobicContact CG2-CZ2 4.36Å; F141-W145 AromaticContact CE1-CD1 3.45Å; F141-W145 VanDerWaalsContact CE1-CD1 3.45Å; F141-W145 AromaticContact CE1-NE1 3.61Å; F141-W145 AromaticContact CE2-CD1 3.77Å; F141-W145 AromaticContact CE2-NE1 3.44Å; F141-W145 AromaticContact CZ-CD1 3.3Å; F141-W145 AromaticContact CZ-NE1 2.97Å; F141-W145 PolarHBondContact O-N 3.38Å; F141-W145 VanDerWaalsContact O-N 3.16Å; I142-W145 WeakPolarHBondContact O-CB 3.37Å; I142-W145 PolarHBondContact O-N 3.36Å; L143-W145 VanDerWaalsContact C-N 3.32Å; L143-W145 PolarHBondContact O-N 3.35Å; W145-C147 VanDerWaalsContact C-N 3.33Å; W145-V148 PolarHBondContact O-N 3.19Å; W145-P149 WeakPolarHBondContact O-CD 3.4Å
146V97Very high94.5Very high67 Ų6743.6 Ų43.641%0.40622%0.219SC..Hα-helixtrans-67.8-34.9175.5171.50000111.2I142 L143 A144 V148 P149 L150I142-V146 HydrophobicContact CG2-CG2 4.45Å; I142-V146 WeakPolarHBondContact O-CG2 3.43Å; I142-V146 PolarHBondContact O-N 2.94Å; L143-V146 PolarHBondContact O-N 3.48Å; A144-V146 PolarHBondContact O-N 3.47Å; V146-V148 VanDerWaalsContact C-N 3.3Å; V146-V148 PolarHBondContact O-N 2.99Å; V146-P149 VanDerWaalsContact O-CD 3.29Å; V146-P149 WeakPolarHBondContact O-CD 3.38Å; V146-P149 WeakPolarHBondContact O-CG 3.3Å; V146-L150 HydrophobicContact CG1-CD1 3.83Å; V146-L150 WeakPolarHBondContact O-CD1 3.09Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.5Å
147C96.8Very high94.7Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-63.6-34.3177.2-70.70000112.5T15 M18 L19 L143 A144 W145 L150 L151T15-C147 HydrophobicContact CG2-CB 4.37Å; M18-C147 WeakPolarHBondContact CB-SG 3.44Å; L19-C147 HydrophobicContact CD1-CB 4.29Å; L143-C147 PolarHBondContact O-N 3.26Å; L143-C147 PolarHBondContact O-SG 2.64Å; A144-C147 WeakPolarHBondContact O-CB 3.14Å; A144-C147 PolarHBondContact O-N 2.7Å; W145-C147 VanDerWaalsContact C-N 3.33Å; C147-L150 PolarHBondContact O-N 3.28Å; C147-L151 HydrophobicContact CB-CD1 4.3Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 VanDerWaalsContact O-CG 3.23Å; C147-L151 WeakPolarHBondContact O-CG 3.29Å; C147-L151 PolarHBondContact O-N 2.9Å
148V97.3Very high94.7Very high9 Ų938.1 Ų38.16%0.05520%0.195CC..Hα-helixtrans-54.1-60.9-177.4172.40000113.2A111 F112 A144 W145 V146 L150 L151 L152A111-V148 HydrophobicContact CB-CG2 4.16Å; F112-V148 HydrophobicContact CB-CG1 3.8Å; F112-V148 HydrophobicContact CB-CG2 3.84Å; F112-V148 HydrophobicContact CD2-CG1 3.91Å; F112-V148 HydrophobicContact CD2-CG2 4.38Å; F112-V148 HydrophobicContact CG-CG1 4.16Å; A144-V148 PolarHBondContact O-N 3.01Å; W145-V148 PolarHBondContact O-N 3.19Å; V146-V148 VanDerWaalsContact C-N 3.3Å; V146-V148 PolarHBondContact O-N 2.99Å; V148-L150 VanDerWaalsContact C-N 3.27Å; V148-L150 PolarHBondContact O-N 3Å; V148-L151 PolarHBondContact O-N 3.31Å; V148-L152 HydrophobicContact CG1-CD1 4.01Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; V148-L152 PolarHBondContact O-N 3.03Å
149P97.4Very high94.6Very high60 Ų6040.2 Ų40.239%0.3921%0.205SC..Hα-helixtrans-63.9-34.2179.625.7-34.5000111.9W145 V146 L152 I153W145-P149 WeakPolarHBondContact O-CD 3.4Å; V146-P149 VanDerWaalsContact O-CD 3.29Å; V146-P149 WeakPolarHBondContact O-CD 3.38Å; V146-P149 WeakPolarHBondContact O-CG 3.3Å; P149-L152 PolarHBondContact O-N 2.94Å; P149-I153 HydrophobicContact CB-CD1 4.5Å; P149-I153 VanDerWaalsContact O-CB 3.26Å; P149-I153 WeakPolarHBondContact O-CB 3.46Å; P149-I153 WeakPolarHBondContact O-CD1 3.26Å; P149-I153 WeakPolarHBondContact O-CG1 3.39Å; P149-I153 PolarHBondContact O-N 3.28Å
150L96.8Very high94.3Very high48 Ų4842 Ų4225%0.25122%0.217SC..Hα-helixtrans-65.2-43178.4-62.6175000111.9L11 T15 M18 V146 C147 V148 S154L11-L150 HydrophobicContact CD1-CD2 4.09Å; T15-L150 HydrophobicContact CG2-CB 3.88Å; M18-L150 HydrophobicContact CE-CD1 3.34Å; V146-L150 HydrophobicContact CG1-CD1 3.83Å; V146-L150 WeakPolarHBondContact O-CD1 3.09Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.5Å; C147-L150 PolarHBondContact O-N 3.28Å; V148-L150 VanDerWaalsContact C-N 3.27Å; V148-L150 PolarHBondContact O-N 3Å; L150-S154 WeakPolarHBondContact O-CB 3.32Å; L150-S154 PolarHBondContact O-N 2.85Å
151L97.1Very high93.8Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-63.1-48174.8-72.4169.2000111.1T15 L19 Q104 A107 A111 C147 V148 S154 G155T15-L151 HydrophobicContact CG2-CD2 3.51Å; T15-L151 HydrophobicContact CG2-CG 3.54Å; L19-L151 HydrophobicContact CD1-CD1 4.41Å; L19-L151 HydrophobicContact CD2-CD1 4.37Å; Q104-L151 HydrophobicContact CG-CD2 4.46Å; Q104-L151 WeakPolarHBondContact CG-O 3.34Å; Q104-L151 VanDerWaalsContact NE2-CD2 3.31Å; A107-L151 HydrophobicContact CB-CD1 4.3Å; A107-L151 HydrophobicContact CB-CD2 4.26Å; A111-L151 HydrophobicContact CB-CD1 4.24Å; C147-L151 HydrophobicContact CB-CD1 4.3Å; C147-L151 WeakPolarHBondContact O-CB 3.48Å; C147-L151 VanDerWaalsContact O-CG 3.23Å; C147-L151 WeakPolarHBondContact O-CG 3.29Å; C147-L151 PolarHBondContact O-N 2.9Å; V148-L151 PolarHBondContact O-N 3.31Å; L151-S154 PolarHBondContact O-N 2.92Å; L151-G155 PolarHBondContact O-N 2.77Å
152L96Very high92.9Very high53 Ų5349.6 Ų49.628%0.27725%0.247SC..Hα-helixtrans-66-47-178.4-66.7176.8000112.3V105 L109 V148 P149 G155 V156V105-L152 HydrophobicContact CG1-CD2 4.11Å; L109-L152 HydrophobicContact CD2-CD2 4.4Å; L109-L152 HydrophobicContact CG-CD2 4.42Å; V148-L152 HydrophobicContact CG1-CD1 4.01Å; V148-L152 WeakPolarHBondContact O-CG 3.49Å; V148-L152 PolarHBondContact O-N 3.03Å; P149-L152 PolarHBondContact O-N 2.94Å; L152-G155 PolarHBondContact O-N 3.47Å; L152-V156 WeakPolarHBondContact O-CG2 3.37Å; L152-V156 PolarHBondContact O-N 2.94Å
153I94.9Very high91.5Very high98 Ų9847.2 Ų47.250%0.50323%0.233SC..Hα-helixtrans-63.2-45.5177.4-67.9167.4000109.8P149 G155 V156 M157P149-I153 HydrophobicContact CB-CD1 4.5Å; P149-I153 VanDerWaalsContact O-CB 3.26Å; P149-I153 WeakPolarHBondContact O-CB 3.46Å; P149-I153 WeakPolarHBondContact O-CD1 3.26Å; P149-I153 WeakPolarHBondContact O-CG1 3.39Å; P149-I153 PolarHBondContact O-N 3.28Å; I153-G155 VanDerWaalsContact C-N 3.32Å; I153-G155 PolarHBondContact O-N 2.96Å; I153-V156 PolarHBondContact O-N 3.23Å; I153-M157 HydrophobicContact CG2-CG 4.35Å; I153-M157 HydrophobicContact CG2-SD 4.13Å; I153-M157 WeakPolarHBondContact O-CB 3.15Å; I153-M157 VanDerWaalsContact O-CG 3.28Å; I153-M157 WeakPolarHBondContact O-CG 3.48Å; I153-M157 PolarHBondContact O-N 2.95Å
154S94.1Very high89.9Confident0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-58.9-43.6176.3-178.10000111.7L150 L151 M157 Y158L150-S154 WeakPolarHBondContact O-CB 3.32Å; L150-S154 PolarHBondContact O-N 2.85Å; L151-S154 PolarHBondContact O-N 2.92Å; S154-M157 WeakPolarHBondContact O-CB 3.3Å; S154-M157 PolarHBondContact O-N 2.88Å; S154-Y158 WeakPolarHBondContact O-CD2 3.08Å; S154-Y158 PolarHBondContact O-N 2.89Å; S154-Y158 VanDerWaalsContact OG-CE2 3.32Å; S154-Y158 WeakPolarHBondContact OG-CE2 3.1Å
155G93.6Very high87.6Confident0 Ų062.1 Ų62.10%030%0.299CS..Hα-helixtrans-61.3-45.3176.300000113.6G101 L151 L152 I153 M157 Y158 I159G101-G155 WeakPolarHBondContact CA-O 3.35Å; L151-G155 PolarHBondContact O-N 2.77Å; L152-G155 PolarHBondContact O-N 3.47Å; I153-G155 VanDerWaalsContact C-N 3.32Å; I153-G155 PolarHBondContact O-N 2.96Å; G155-M157 VanDerWaalsContact C-N 3.34Å; G155-M157 PolarHBondContact O-N 2.85Å; G155-Y158 PolarHBondContact O-N 2.82Å; G155-I159 WeakPolarHBondContact O-CG1 3.2Å; G155-I159 PolarHBondContact O-N 3.3Å
156V93Very high87.2Confident73 Ų7361.3 Ų61.344%0.44230%0.299SS..Hα-helixtrans-63.1-41.5174.7172.60000111.1L152 I153 Y158 I159 H160L152-V156 WeakPolarHBondContact O-CG2 3.37Å; L152-V156 PolarHBondContact O-N 2.94Å; I153-V156 PolarHBondContact O-N 3.23Å; V156-Y158 PolarHBondContact O-N 2.05Å; V156-I159 PolarHBondContact O-N 3.05Å; V156-H160 PolarHBondContact O-CD2 2.61Å; V156-H160 VanDerWaalsContact O-CD2 3.3Å; V156-H160 PolarHBondContact O-N 2.89Å; V156-H160 VanDerWaalsContact O-N 3.15Å
157M91.8Very high86.7Confident49 Ų4960.9 Ų60.924%0.24129%0.293CS..Hα-helixtrans-59-46.6174.2-72.4-178.577.600111L4 F7 V8 I153 S154 G155 I159 H160 L161L4-M157 HydrophobicContact CD1-CE 3.88Å; F7-M157 HydrophobicContact CD1-CE 4.17Å; F7-M157 HydrophobicContact CE1-CE 4.1Å; F7-M157 HydrophobicContact CE1-SD 4.42Å; V8-M157 HydrophobicContact CG2-CE 3.45Å; V8-M157 VanDerWaalsContact CG2-CE 3.45Å; V8-M157 HydrophobicContact CG2-SD 4.25Å; I153-M157 HydrophobicContact CG2-CG 4.35Å; I153-M157 HydrophobicContact CG2-SD 4.13Å; I153-M157 WeakPolarHBondContact O-CB 3.15Å; I153-M157 VanDerWaalsContact O-CG 3.28Å; I153-M157 WeakPolarHBondContact O-CG 3.48Å; I153-M157 PolarHBondContact O-N 2.95Å; S154-M157 WeakPolarHBondContact O-CB 3.3Å; S154-M157 PolarHBondContact O-N 2.88Å; G155-M157 VanDerWaalsContact C-N 3.34Å; G155-M157 PolarHBondContact O-N 2.85Å; M157-I159 VanDerWaalsContact C-N 3.32Å; M157-I159 PolarHBondContact O-N 2.86Å; M157-H160 PolarHBondContact O-N 3.35Å; M157-L161 WeakPolarHBondContact O-CG 3.37Å; M157-L161 PolarHBondContact O-N 2.83Å
158Y90.2Very high86.1Confident0 Ų064.3 Ų64.30%031%0.31CS..Hα-helixtrans-57.8-41.8176.3-78.6-56.5000113.2V8 H12 F84 F97 T100 Q104 S154 G155 V156 H160 L161V8-Y158 HydrophobicContact CG1-CD1 3.91Å; V8-Y158 HydrophobicContact CG1-CE1 3.3Å; V8-Y158 HydrophobicContact CG1-CE2 4.03Å; V8-Y158 HydrophobicContact CG1-CG 4.47Å; H12-Y158 WeakPolarHBondContact CB-OH 3.44Å; H12-Y158 AromaticContact ND1-CE2 3.46Å; H12-Y158 WeakPolarHBondContact ND1-CE2 3.46Å; H12-Y158 AromaticContact ND1-CZ 3.53Å; H12-Y158 PolarHBondContact ND1-OH 2.98Å; F84-Y158 HydrophobicContact CD1-CE1 4.3Å; F84-Y158 AromaticContact CD2-CD1 3.96Å; F84-Y158 HydrophobicContact CD2-CD1 3.96Å; F84-Y158 AromaticContact CD2-CE1 3.34Å; F84-Y158 HydrophobicContact CD2-CE1 3.34Å; F84-Y158 HydrophobicContact CE1-CE1 4.37Å; F84-Y158 HydrophobicContact CE2-CD1 4.13Å; F84-Y158 AromaticContact CE2-CE1 3.45Å; F84-Y158 HydrophobicContact CE2-CE1 3.45Å; F84-Y158 VanDerWaalsContact CE2-CE1 3.45Å; F84-Y158 AromaticContact CG-CE1 3.8Å; F84-Y158 HydrophobicContact CG-CE1 3.8Å; F84-Y158 AromaticContact CZ-CE1 3.96Å; F84-Y158 HydrophobicContact CZ-CE1 3.96Å; F97-Y158 HydrophobicContact CB-CD1 4.38Å; F97-Y158 WeakPolarHBondContact CB-O 3.2Å; T100-Y158 HydrophobicContact CG2-CD1 3.78Å; T100-Y158 HydrophobicContact CG2-CD2 3.82Å; T100-Y158 HydrophobicContact CG2-CE1 4Å; T100-Y158 HydrophobicContact CG2-CE2 4.02Å; T100-Y158 HydrophobicContact CG2-CG 3.7Å; Q104-Y158 HydrophobicContact CB-CD2 4.45Å; Q104-Y158 HydrophobicContact CG-CD2 4.43Å; S154-Y158 WeakPolarHBondContact O-CD2 3.08Å; S154-Y158 PolarHBondContact O-N 2.89Å; S154-Y158 VanDerWaalsContact OG-CE2 3.32Å; S154-Y158 WeakPolarHBondContact OG-CE2 3.1Å; G155-Y158 PolarHBondContact O-N 2.82Å; V156-Y158 PolarHBondContact O-N 2.05Å; Y158-H160 VanDerWaalsContact C-N 3.31Å; Y158-H160 PolarHBondContact O-N 2.89Å; Y158-L161 HydrophobicContact CD1-CD1 4.19Å; Y158-L161 PolarHBondContact O-N 2.81Å
159I88.8Confident85.5Confident47 Ų4767.6 Ų67.624%0.24133%0.325CS..Hα-helixtrans-61.8-39.9178.2-70.4167000111.4Y98 G155 V156 M157Y98-I159 HydrophobicContact CD1-CG1 4.49Å; Y98-I159 HydrophobicContact CD1-CG2 3.89Å; Y98-I159 HydrophobicContact CE1-CG2 3.7Å; G155-I159 WeakPolarHBondContact O-CG1 3.2Å; G155-I159 PolarHBondContact O-N 3.3Å; V156-I159 PolarHBondContact O-N 3.05Å; M157-I159 VanDerWaalsContact C-N 3.32Å; M157-I159 PolarHBondContact O-N 2.86Å
160H86Confident84.7Confident147 Ų14768.1 Ų68.168%0.68132%0.321SS*.Hα-helixtrans-86.6-14.9-179.2-73-65.4000114.4V156 M157 Y158 R162V156-H160 PolarHBondContact O-CD2 2.61Å; V156-H160 VanDerWaalsContact O-CD2 3.3Å; V156-H160 PolarHBondContact O-N 2.89Å; V156-H160 VanDerWaalsContact O-N 3.15Å; M157-H160 PolarHBondContact O-N 3.35Å; Y158-H160 VanDerWaalsContact C-N 3.31Å; Y158-H160 PolarHBondContact O-N 2.89Å; H160-R162 PolarHBondContact O-N 3.48Å
161L82.8Confident83.9Confident20 Ų2069.4 Ų69.411%0.10533%0.325CS..  trans-68.4118.3175.2-78.8167.9000110.2L4 V8 F97 M157 Y158L4-L161 HydrophobicContact CD2-CD2 3.44Å; L4-L161 VanDerWaalsContact CD2-CD2 3.44Å; L4-L161 HydrophobicContact CG-CD2 3.91Å; V8-L161 HydrophobicContact CB-CD1 4.33Å; V8-L161 HydrophobicContact CG1-CD1 4.05Å; V8-L161 HydrophobicContact CG2-CD1 4.05Å; F97-L161 HydrophobicContact CD2-CB 4.03Å; F97-L161 WeakPolarHBondContact CD2-O 3.37Å; F97-L161 HydrophobicContact CE2-CB 4.47Å; M157-L161 WeakPolarHBondContact O-CG 3.37Å; M157-L161 PolarHBondContact O-N 2.83Å; Y158-L161 HydrophobicContact CD1-CD1 4.19Å; Y158-L161 PolarHBondContact O-N 2.81Å
162R74.4Confident83Confident154 Ų15474.4 Ų74.458%0.58135%0.348SS*.BIsolated β-bridgetrans-102.7130.5168.7-169.8176.4-177.9-161.8-2.1109L96 H160 K164L96-R162 HydrophobicContact CD2-CB 4.3Å; H160-R162 PolarHBondContact O-N 3.48Å; R162-K164 PolarHBondContact O-N 3.32Å
163K66.5Low82Confident48 Ų4876 Ų7621%0.20935%0.354CS..  trans-64.595.9170.5-170.1172.1-174.1170.60108.7L88 M91 G94 G95 F97L88-K163 PolarHBondContact O-NZ 3.49Å; M91-K163 HydrophobicContact CB-CD 4.47Å; M91-K163 PolarHBondContact O-NZ 2.82Å; G94-K163 VanDerWaalsContact CA-O 3.3Å; G94-K163 WeakPolarHBondContact CA-O 3.35Å; G94-K163 PolarHBondContact N-O 2.97Å; G95-K163 WeakPolarHBondContact O-CB 3.4Å; G95-K163 PolarHBondContact O-N 3.48Å; F97-K163 HydrophobicContact CE2-CB 4.34Å
164K60.7Low80.9Confident144 Ų14474.2 Ų74.263%0.62634%0.341SS*.  trans-78.8159.4165.6-71.3-161.4-173.8178.10109.3M1 R162M1-K164 HydrophobicContact CE-CB 3.81Å; M1-K164 HydrophobicContact CE-CD 3.68Å; M1-K164 HydrophobicContact CE-CG 3.58Å; M1-K164 HydrophobicContact CG-CB 4.38Å; R162-K164 PolarHBondContact O-N 3.32Å
165E48.6Very low79.7Confident208 Ų20880.9 Ų80.997%0.97237%0.373SS*.  trans-34.70-166-66.6-171.5133.400117.8K93K93-E165 HydrophobicContact CD-CB 4.48Å; K93-E165 HydrophobicContact CD-CG 4.44Å; K93-E165 WeakPolarHBondContact CE-OXT 3.32Å; K93-E165 PolarHBondContact NZ-OXT 3.42Å

Retrieved 165 of 165 residues in 280.2 ms (Link to these results)

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